| 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 | 31.5 | Very low | 28.5 | Very low | 249 Ų | 249 | 149 Ų | 149 | 100% | 1.227 | 88% | 0.876 | S | S | * | * | 0 | 122.6 | 0 | -64.9 | -167.1 | -109.2 | 0 | 0 | 106.5 | |||||
| 2 | A | 30.8 | Very low | 28.7 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 84% | 0.843 | 86% | 0.861 | S | S | * | * | cis | -143.7 | 145.1 | 8.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3 | Q | 27 | Very low | 29 | Very low | 198 Ų | 198 | 143.6 Ų | 143.6 | 93% | 0.925 | 86% | 0.858 | S | S | * | * | trans | -73.5 | 132.6 | 171.2 | -74.1 | 168.8 | -27.9 | 0 | 0 | 109.2 | ||||
| 4 | G | 26.1 | Very low | 29.5 | Very low | 80 Ų | 80 | 139 Ų | 139 | 83% | 0.825 | 84% | 0.843 | S | S | * | * | trans | -92.8 | 110.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | G6 | G4-G6 PolarHBondContact O-N 2.97Š| ||
| 5 | S | 29 | Very low | 30.2 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -74.6 | 110.7 | 173 | 51 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 6 | G | 26.1 | Very low | 31.2 | Very low | 73 Ų | 73 | 134.1 Ų | 134.1 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | -100.7 | 90.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G4 Q8 | G4-G6 PolarHBondContact O-N 2.97Å; G6-Q8 PolarHBondContact O-N 2.75Å; G6-Q8 VanDerWaalsContact O-N 3.16Å | ||
| 7 | D | 27.3 | Very low | 31.9 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -78.2 | 90.6 | 167.4 | -91.5 | -20.3 | 0 | 0 | 0 | 109.2 | R9 | D7-R9 PolarHBondContact O-N 2.89Š| ||
| 8 | Q | 29.7 | Very low | 33 | Very low | 189 Ų | 189 | 133.5 Ų | 133.5 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -76.6 | 112 | 157.8 | -78 | -179.2 | 9.6 | 0 | 0 | 108 | G6 A10 | G6-Q8 PolarHBondContact O-N 2.75Å; G6-Q8 VanDerWaalsContact O-N 3.16Å; Q8-A10 VanDerWaalsContact C-N 3.32Å; Q8-A10 PolarHBondContact O-N 3.11Å | ||
| 9 | R | 28.3 | Very low | 34.3 | Very low | 242 Ų | 242 | 129.3 Ų | 129.3 | 91% | 0.913 | 77% | 0.767 | S | S | * | * | trans | -60.7 | 93.5 | 166.9 | -78.3 | 179.9 | 174.2 | 176.2 | -1.9 | 109.2 | D7 V11 | D7-R9 PolarHBondContact O-N 2.89Å; R9-V11 PolarHBondContact O-N 3.35Å | ||
| 10 | A | 26.6 | Very low | 35.9 | Very low | 95 Ų | 95 | 123.5 Ų | 123.5 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | -67.4 | 109.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q8 G12 | Q8-A10 VanDerWaalsContact C-N 3.32Å; Q8-A10 PolarHBondContact O-N 3.11Å; A10-G12 PolarHBondContact O-N 3.33Å; A10-G12 VanDerWaalsContact O-N 3.11Å | ||
| 11 | V | 31.5 | Very low | 37.6 | Very low | 131 Ų | 131 | 119.3 Ų | 119.3 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | trans | -62.7 | 110.8 | 168.3 | 176.7 | 0 | 0 | 0 | 0 | 106.5 | R9 I13 | R9-V11 PolarHBondContact O-N 3.35Å; V11-I13 PolarHBondContact O-N 2.95Å; V11-I13 VanDerWaalsContact O-N 3.1Å | ||
| 12 | G | 30.7 | Very low | 39.9 | Very low | 67 Ų | 67 | 108.8 Ų | 108.8 | 69% | 0.691 | 66% | 0.658 | S | S | * | * | trans | -58.7 | 114.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | A10 A14 | A10-G12 PolarHBondContact O-N 3.33Å; A10-G12 VanDerWaalsContact O-N 3.11Å; G12-A14 PolarHBondContact O-N 3.1Å | ||
| 13 | I | 32.5 | Very low | 42.5 | Very low | 161 Ų | 161 | 105.6 Ų | 105.6 | 83% | 0.826 | 63% | 0.626 | S | S | * | * | trans | -70.2 | 102.2 | 170.2 | -60.5 | 172.9 | 0 | 0 | 0 | 105.8 | V11 | V11-I13 PolarHBondContact O-N 2.95Å; V11-I13 VanDerWaalsContact O-N 3.1Å | ||
| 14 | A | 36.4 | Very low | 45.5 | Very low | 79 Ų | 79 | 101.4 Ų | 101.4 | 65% | 0.653 | 61% | 0.609 | S | S | * | * | trans | -58.9 | 143.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | G12 | G12-A14 PolarHBondContact O-N 3.1Š| ||
| 15 | D | 40 | Very low | 48.6 | Very low | 96 Ų | 96 | 101 Ų | 101 | 51% | 0.513 | 59% | 0.59 | S | S | . | * | trans | -55.1 | 122.8 | 180 | -157.9 | -25.5 | 0 | 0 | 0 | 110.1 | E17 E18 | D15-E17 PolarHBondContact O-N 3.45Å; D15-E18 PolarHBondContact O-N 3.05Å | ||
| 16 | P | 45 | Very low | 51.6 | Low | 104 Ų | 104 | 96.7 Ų | 96.7 | 68% | 0.675 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | -23.2 | -177.8 | -27.2 | 33.6 | 0 | 0 | 0 | 114.3 | E18 | P16-E18 VanDerWaalsContact C-N 3.33Å; P16-E18 PolarHBondContact O-N 3.16Å |
| 17 | E | 44.4 | Very low | 54.8 | Low | 165 Ų | 165 | 95.9 Ų | 95.9 | 77% | 0.771 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -14 | 179.4 | -65.8 | -153.4 | 164.8 | 0 | 0 | 114.6 | D15 | D15-E17 PolarHBondContact O-N 3.45Š|
| 18 | E | 50.6 | Low | 58.1 | Low | 92 Ų | 92 | 94.4 Ų | 94.4 | 43% | 0.43 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -7.1 | -173 | -65.8 | -167 | 155.3 | 0 | 0 | 115.1 | D15 P16 | D15-E18 PolarHBondContact O-N 3.05Å; P16-E18 VanDerWaalsContact C-N 3.33Å; P16-E18 PolarHBondContact O-N 3.16Å |
| 19 | S | 57.9 | Low | 61.3 | Low | 53 Ų | 53 | 86.3 Ų | 86.3 | 37% | 0.371 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -89.4 | 152.4 | -179 | 73.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 20 | S | 67.1 | Low | 64.6 | Low | 13 Ų | 13 | 76.2 Ų | 76.2 | 9% | 0.091 | 45% | 0.45 | C | S | . | . | trans | -54.4 | 137.5 | 170.7 | 169.5 | 0 | 0 | 0 | 0 | 108.8 | N22 M23 | S20-N22 PolarHBondContact O-N 3.42Å; S20-N22 PolarHBondContact OG-N 3.01Å; S20-M23 WeakPolarHBondContact O-CB 3.08Å; S20-M23 PolarHBondContact O-N 3.44Å | ||
| 21 | P | 70.4 | Confident | 67.9 | Low | 36 Ų | 36 | 76.4 Ų | 76.4 | 23% | 0.234 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -15.5 | 177.8 | -27.7 | 37.3 | 0 | 0 | 0 | 114.3 | K219 | P21-K219 HydrophobicContact CB-CB 4.04Å; P21-K219 HydrophobicContact CB-CD 3.85Å; P21-K219 HydrophobicContact CB-CG 3.75Å; P21-K219 HydrophobicContact CG-CB 3.87Å; P21-K219 HydrophobicContact CG-CG 4.09Å |
| 22 | N | 81.3 | Confident | 71.1 | Confident | 28 Ų | 28 | 71.6 Ų | 71.6 | 15% | 0.15 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -5.3 | 176.9 | -62.2 | -15.3 | 0 | 0 | 0 | 113.1 | S20 I24 V25 Y26 K219 | S20-N22 PolarHBondContact O-N 3.42Å; S20-N22 PolarHBondContact OG-N 3.01Å; N22-I24 VanDerWaalsContact C-N 3.31Å; N22-I24 PolarHBondContact O-N 3.12Å; N22-V25 WeakPolarHBondContact O-CB 3.4Å; N22-V25 PolarHBondContact O-N 3.41Å; N22-Y26 HydrophobicContact CB-CE1 4.43Å; N22-Y26 HydrophobicContact CB-CE2 3.94Å; N22-Y26 PolarHBondContact O-N 3.01Å; N22-Y26 VanDerWaalsContact O-N 3.16Å; N22-K219 PolarHBondContact OD1-NZ 2.75Å |
| 23 | M | 85.5 | Confident | 74.2 | Confident | 35 Ų | 35 | 68.4 Ų | 68.4 | 17% | 0.172 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.8 | -41.3 | -174.3 | -171.3 | 60.1 | 69.8 | 0 | 0 | 112.5 | S20 V25 Y26 C27 S121 | S20-M23 WeakPolarHBondContact O-CB 3.08Å; S20-M23 PolarHBondContact O-N 3.44Å; M23-V25 PolarHBondContact O-N 3.36Å; M23-Y26 PolarHBondContact O-N 3.3Å; M23-Y26 VanDerWaalsContact O-N 3.13Å; M23-Y26 HydrophobicContact SD-CD2 4.33Å; M23-C27 PolarHBondContact O-N 3.35Å; M23-C27 PolarHBondContact O-SG 2.92Å; M23-S121 WeakPolarHBondContact CE-O 3.46Å |
| 24 | I | 88.3 | Confident | 77.3 | Confident | 110 Ų | 110 | 64.6 Ų | 64.6 | 56% | 0.564 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.4 | -33.4 | 176.9 | -169.8 | 169.1 | 0 | 0 | 0 | 112.5 | N22 K28 | N22-I24 VanDerWaalsContact C-N 3.31Å; N22-I24 PolarHBondContact O-N 3.12Å; I24-K28 VanDerWaalsContact O-CG 3.32Å; I24-K28 WeakPolarHBondContact O-CG 3.39Å; I24-K28 PolarHBondContact O-N 3.2Å |
| 25 | V | 92.1 | Very high | 80.1 | Confident | 73 Ų | 73 | 66.8 Ų | 66.8 | 44% | 0.442 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -71.6 | -45 | 177.3 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | N22 M23 C27 K28 I29 | N22-V25 WeakPolarHBondContact O-CB 3.4Å; N22-V25 PolarHBondContact O-N 3.41Å; M23-V25 PolarHBondContact O-N 3.36Å; V25-C27 PolarHBondContact O-N 3.43Å; V25-K28 PolarHBondContact O-N 3.31Å; V25-I29 HydrophobicContact CG1-CD1 4.02Å; V25-I29 WeakPolarHBondContact O-CG1 3.41Å; V25-I29 PolarHBondContact O-N 3.28Å |
| 26 | Y | 92.7 | Very high | 82.8 | Confident | 24 Ų | 24 | 62.2 Ų | 62.2 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.7 | -48.2 | 176.4 | -58.6 | -32.2 | 0 | 0 | 0 | 111.9 | N22 M23 K28 I29 E30 Y93 P120 | N22-Y26 HydrophobicContact CB-CE1 4.43Å; N22-Y26 HydrophobicContact CB-CE2 3.94Å; N22-Y26 PolarHBondContact O-N 3.01Å; N22-Y26 VanDerWaalsContact O-N 3.16Å; M23-Y26 PolarHBondContact O-N 3.3Å; M23-Y26 VanDerWaalsContact O-N 3.13Å; M23-Y26 HydrophobicContact SD-CD2 4.33Å; Y26-K28 VanDerWaalsContact C-N 3.3Å; Y26-K28 PolarHBondContact O-N 3.39Å; Y26-I29 PolarHBondContact O-N 3.43Å; Y26-I29 VanDerWaalsContact O-N 3.12Å; Y26-E30 WeakPolarHBondContact O-CB 3.3Å; Y26-E30 VanDerWaalsContact O-CG 3.23Å; Y26-E30 WeakPolarHBondContact O-CG 3.45Å; Y26-E30 PolarHBondContact O-N 3.4Å; Y26-Y93 WeakPolarHBondContact CB-OH 3.27Å; Y26-P120 HydrophobicContact CD1-CB 4.17Å; Y26-P120 HydrophobicContact CD2-CB 4.5Å; Y26-P120 HydrophobicContact CE1-CB 3.87Å; Y26-P120 HydrophobicContact CE2-CB 4.19Å |
| 27 | C | 93.2 | Very high | 85.2 | Confident | 56 Ų | 56 | 60.9 Ų | 60.9 | 38% | 0.378 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.6 | -42.8 | 177.1 | -63.7 | 0 | 0 | 0 | 0 | 112.2 | M23 V25 I29 E30 D31 | M23-C27 PolarHBondContact O-N 3.35Å; M23-C27 PolarHBondContact O-SG 2.92Å; V25-C27 PolarHBondContact O-N 3.43Å; C27-I29 PolarHBondContact O-N 3.41Å; C27-E30 PolarHBondContact O-N 3.49Å; C27-D31 VanDerWaalsContact O-CG 3.31Å; C27-D31 PolarHBondContact O-N 2.95Å |
| 28 | K | 95.9 | Very high | 87.4 | Confident | 134 Ų | 134 | 55.7 Ų | 55.7 | 58% | 0.583 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.9 | -39.5 | 177.1 | -74.2 | -180 | 177.6 | -165.2 | 0 | 112.8 | I24 V25 Y26 I32 | I24-K28 VanDerWaalsContact O-CG 3.32Å; I24-K28 WeakPolarHBondContact O-CG 3.39Å; I24-K28 PolarHBondContact O-N 3.2Å; V25-K28 PolarHBondContact O-N 3.31Å; Y26-K28 VanDerWaalsContact C-N 3.3Å; Y26-K28 PolarHBondContact O-N 3.39Å; K28-I32 WeakPolarHBondContact O-CG1 3.49Å; K28-I32 PolarHBondContact O-N 2.85Å |
| 29 | I | 97.4 | Very high | 88.9 | Confident | 19 Ų | 19 | 57.6 Ų | 57.6 | 10% | 0.097 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.9 | -43.1 | 175.6 | -65.1 | 168.2 | 0 | 0 | 0 | 110 | V25 Y26 C27 D31 I32 I33 I88 Q91 Y93 | V25-I29 HydrophobicContact CG1-CD1 4.02Å; V25-I29 WeakPolarHBondContact O-CG1 3.41Å; V25-I29 PolarHBondContact O-N 3.28Å; Y26-I29 PolarHBondContact O-N 3.43Å; Y26-I29 VanDerWaalsContact O-N 3.12Å; C27-I29 PolarHBondContact O-N 3.41Å; I29-D31 VanDerWaalsContact C-N 3.31Å; I29-D31 PolarHBondContact O-N 3.43Å; I29-I32 WeakPolarHBondContact O-CA 3.36Å; I29-I32 WeakPolarHBondContact O-CB 3.41Å; I29-I32 PolarHBondContact O-N 2.92Å; I29-I33 HydrophobicContact CG2-CG1 4.08Å; I29-I33 VanDerWaalsContact O-CG1 3.29Å; I29-I33 WeakPolarHBondContact O-CG1 3.11Å; I29-I33 PolarHBondContact O-N 2.94Å; I29-I88 HydrophobicContact CG2-CB 4.48Å; I29-I88 HydrophobicContact CG2-CG1 4.02Å; I29-I88 HydrophobicContact CG2-CG2 4.04Å; I29-Q91 HydrophobicContact CD1-CG 4.24Å; I29-Y93 HydrophobicContact CB-CD2 4.32Å; I29-Y93 HydrophobicContact CB-CE2 4.03Å; I29-Y93 HydrophobicContact CD1-CE2 4.21Å; I29-Y93 HydrophobicContact CG2-CD1 4.31Å; I29-Y93 HydrophobicContact CG2-CD2 3.35Å; I29-Y93 HydrophobicContact CG2-CE1 4.5Å; I29-Y93 HydrophobicContact CG2-CE2 3.56Å; I29-Y93 HydrophobicContact CG2-CG 3.74Å |
| 30 | E | 96.8 | Very high | 90 | Very high | 30 Ų | 30 | 64.4 Ų | 64.4 | 14% | 0.14 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.8 | -36.7 | 179.6 | -72 | 171.3 | -162.2 | 0 | 0 | 112.7 | Y26 C27 I32 I33 T34 Y93 W119 S121 | Y26-E30 WeakPolarHBondContact O-CB 3.3Å; Y26-E30 VanDerWaalsContact O-CG 3.23Å; Y26-E30 WeakPolarHBondContact O-CG 3.45Å; Y26-E30 PolarHBondContact O-N 3.4Å; C27-E30 PolarHBondContact O-N 3.49Å; E30-I32 VanDerWaalsContact C-N 3.33Å; E30-I32 PolarHBondContact O-N 3.25Å; E30-I33 PolarHBondContact O-N 3.43Å; E30-T34 WeakPolarHBondContact O-CB 3.44Å; E30-T34 PolarHBondContact O-N 3.04Å; E30-T34 PolarHBondContact O-OG1 3.23Å; E30-Y93 HydrophobicContact CG-CD1 4.25Å; E30-Y93 HydrophobicContact CG-CE1 3.32Å; E30-Y93 PolarHBondContact OE1-OH 3.4Å; E30-W119 HydrophobicContact CB-CE3 4.31Å; E30-W119 HydrophobicContact CB-CH2 4.3Å; E30-W119 HydrophobicContact CB-CZ3 3.81Å; E30-W119 HydrophobicContact CG-CD2 4.12Å; E30-W119 HydrophobicContact CG-CE3 3.43Å; E30-W119 VanDerWaalsContact CG-CE3 3.43Å; E30-W119 HydrophobicContact CG-CH2 4.13Å; E30-W119 HydrophobicContact CG-CZ3 3.44Å; E30-W119 VanDerWaalsContact CG-CZ3 3.44Å; E30-S121 WeakPolarHBondContact OE1-CB 3.37Å; E30-S121 PolarHBondContact OE1-OG 2.77Å |
| 31 | D | 96.4 | Very high | 90.5 | Very high | 99 Ų | 99 | 68.2 Ų | 68.2 | 53% | 0.529 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 171.9 | -72.9 | -20.7 | 0 | 0 | 0 | 111.5 | C27 I29 K35 | C27-D31 VanDerWaalsContact O-CG 3.31Å; C27-D31 PolarHBondContact O-N 2.95Å; I29-D31 VanDerWaalsContact C-N 3.31Å; I29-D31 PolarHBondContact O-N 3.43Å; D31-K35 WeakPolarHBondContact O-CG 3.25Å; D31-K35 PolarHBondContact O-N 3.14Å; D31-K35 VanDerWaalsContact O-N 3.17Å |
| 32 | I | 97.5 | Very high | 91.2 | Very high | 29 Ų | 29 | 68.8 Ų | 68.8 | 15% | 0.149 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.9 | -48.3 | 175 | -66.2 | 167.5 | 0 | 0 | 0 | 110.1 | K28 I29 E30 T34 K35 M36 W68 L69 L73 I88 | K28-I32 WeakPolarHBondContact O-CG1 3.49Å; K28-I32 PolarHBondContact O-N 2.85Å; I29-I32 WeakPolarHBondContact O-CA 3.36Å; I29-I32 WeakPolarHBondContact O-CB 3.41Å; I29-I32 PolarHBondContact O-N 2.92Å; E30-I32 VanDerWaalsContact C-N 3.33Å; E30-I32 PolarHBondContact O-N 3.25Å; I32-T34 VanDerWaalsContact C-N 3.28Å; I32-T34 PolarHBondContact O-N 2.8Å; I32-K35 PolarHBondContact O-N 3.5Å; I32-M36 HydrophobicContact CG2-CE 3.82Å; I32-M36 HydrophobicContact CG2-CG 4.37Å; I32-M36 HydrophobicContact CG2-SD 4.2Å; I32-M36 WeakPolarHBondContact O-CG 3.43Å; I32-M36 PolarHBondContact O-N 3.08Å; I32-W68 HydrophobicContact CG2-CH2 4.45Å; I32-W68 HydrophobicContact CG2-CZ3 3.98Å; I32-L69 HydrophobicContact CG2-CD2 4.27Å; I32-L73 HydrophobicContact CD1-CD1 4.2Å; I32-I88 HydrophobicContact CG2-CD1 4.29Å |
| 33 | I | 97.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.7 | -36.6 | -179.6 | -68.2 | -67.5 | 0 | 0 | 0 | 112.1 | I29 E30 M36 Q37 I88 Y93 I94 F113 W119 | I29-I33 HydrophobicContact CG2-CG1 4.08Å; I29-I33 VanDerWaalsContact O-CG1 3.29Å; I29-I33 WeakPolarHBondContact O-CG1 3.11Å; I29-I33 PolarHBondContact O-N 2.94Å; E30-I33 PolarHBondContact O-N 3.43Å; I33-M36 HydrophobicContact CD1-SD 4.22Å; I33-M36 PolarHBondContact O-N 3.48Å; I33-Q37 WeakPolarHBondContact O-CG 3.44Å; I33-Q37 PolarHBondContact O-N 3.29Å; I33-Q37 PolarHBondContact O-NE2 3.46Å; I33-Q37 VanDerWaalsContact O-NE2 3.17Å; I33-I88 HydrophobicContact CD1-CG2 3.74Å; I33-I88 HydrophobicContact CG1-CG2 4.41Å; I33-Y93 HydrophobicContact CG1-CD1 4.19Å; I33-Y93 HydrophobicContact CG1-CG 4.17Å; I33-I94 HydrophobicContact CD1-CD1 3.65Å; I33-I94 HydrophobicContact CD1-CG1 3.6Å; I33-F113 HydrophobicContact CD1-CD1 4.29Å; I33-F113 HydrophobicContact CD1-CE1 4.31Å; I33-F113 HydrophobicContact CG2-CD1 4.36Å; I33-W119 HydrophobicContact CG2-CH2 4.38Å; I33-W119 HydrophobicContact CG2-CZ2 3.81Å |
| 34 | T | 95.6 | Very high | 92.3 | Very high | 82 Ų | 82 | 66.6 Ų | 66.6 | 50% | 0.503 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 176.4 | -59.6 | 0 | 0 | 0 | 0 | 110.7 | E30 I32 Q37 D38 | E30-T34 WeakPolarHBondContact O-CB 3.44Å; E30-T34 PolarHBondContact O-N 3.04Å; E30-T34 PolarHBondContact O-OG1 3.23Å; I32-T34 VanDerWaalsContact C-N 3.28Å; I32-T34 PolarHBondContact O-N 2.8Å; T34-Q37 PolarHBondContact O-N 3.5Å; T34-D38 PolarHBondContact O-N 3.4Å |
| 35 | K | 96.3 | Very high | 92.5 | Very high | 125 Ų | 125 | 63.9 Ų | 63.9 | 54% | 0.543 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.3 | -37.5 | 175.8 | -68.4 | 172.2 | -176.4 | 177.5 | 0 | 112.5 | D31 I32 Q37 D38 W68 | D31-K35 WeakPolarHBondContact O-CG 3.25Å; D31-K35 PolarHBondContact O-N 3.14Å; D31-K35 VanDerWaalsContact O-N 3.17Å; I32-K35 PolarHBondContact O-N 3.5Å; K35-Q37 PolarHBondContact O-N 3.13Å; K35-D38 PolarHBondContact O-N 3.43Å; K35-W68 HydrophobicContact CB-CH2 3.75Å; K35-W68 HydrophobicContact CB-CZ2 3.76Å |
| 36 | M | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.5 | -30.2 | 175.5 | -76.8 | -179.1 | 169.4 | 0 | 0 | 112.7 | I32 I33 G43 V44 I65 W68 L69 I94 F113 | I32-M36 HydrophobicContact CG2-CE 3.82Å; I32-M36 HydrophobicContact CG2-CG 4.37Å; I32-M36 HydrophobicContact CG2-SD 4.2Å; I32-M36 WeakPolarHBondContact O-CG 3.43Å; I32-M36 PolarHBondContact O-N 3.08Å; I33-M36 HydrophobicContact CD1-SD 4.22Å; I33-M36 PolarHBondContact O-N 3.48Å; M36-G43 CarbonylContact O-C 3.5Å; M36-G43 VanDerWaalsContact O-CA 3.31Å; M36-G43 WeakPolarHBondContact O-CA 3.34Å; M36-V44 HydrophobicContact CB-CG2 4.1Å; M36-V44 HydrophobicContact CG-CG2 4.12Å; M36-V44 PolarHBondContact O-N 3.05Å; M36-I65 HydrophobicContact CE-CG2 3.96Å; M36-W68 HydrophobicContact CE-CD2 4.45Å; M36-W68 HydrophobicContact CE-CE3 3.47Å; M36-W68 VanDerWaalsContact CE-CE3 3.47Å; M36-W68 HydrophobicContact CE-CZ3 3.66Å; M36-W68 HydrophobicContact CG-CD2 3.82Å; M36-W68 HydrophobicContact CG-CE3 3.48Å; M36-W68 VanDerWaalsContact CG-CE3 3.48Å; M36-W68 HydrophobicContact CG-CH2 3.68Å; M36-W68 HydrophobicContact CG-CZ2 3.99Å; M36-W68 HydrophobicContact CG-CZ3 3.43Å; M36-W68 VanDerWaalsContact CG-CZ3 3.43Å; M36-W68 HydrophobicContact SD-CE3 4.36Å; M36-W68 HydrophobicContact SD-CZ3 4.41Å; M36-L69 HydrophobicContact CE-CD1 4.15Å; M36-L69 HydrophobicContact CE-CD2 3.27Å; M36-L69 HydrophobicContact CE-CG 3.5Å; M36-L69 VanDerWaalsContact CE-CG 3.5Å; M36-I94 HydrophobicContact SD-CD1 3.96Å; M36-F113 HydrophobicContact CB-CE1 3.97Å; M36-F113 HydrophobicContact CB-CZ 3.93Å; M36-F113 HydrophobicContact SD-CE1 4.16Å |
| 37 | Q | 94.5 | Very high | 92.6 | Very high | 75 Ų | 75 | 69.5 Ų | 69.5 | 35% | 0.35 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 1.9 | -179.5 | -70.9 | 176.3 | 93.5 | 0 | 0 | 113.5 | I33 T34 K35 D39 F113 | I33-Q37 WeakPolarHBondContact O-CG 3.44Å; I33-Q37 PolarHBondContact O-N 3.29Å; I33-Q37 PolarHBondContact O-NE2 3.46Å; I33-Q37 VanDerWaalsContact O-NE2 3.17Å; T34-Q37 PolarHBondContact O-N 3.5Å; K35-Q37 PolarHBondContact O-N 3.13Å; Q37-D39 PolarHBondContact O-N 3.29Å; Q37-F113 HydrophobicContact CG-CD1 4Å; Q37-F113 HydrophobicContact CG-CD2 3.62Å; Q37-F113 HydrophobicContact CG-CE1 4.06Å; Q37-F113 HydrophobicContact CG-CE2 3.68Å; Q37-F113 HydrophobicContact CG-CG 3.8Å; Q37-F113 HydrophobicContact CG-CZ 3.91Å |
| 38 | D | 91.8 | Very high | 92.6 | Very high | 57 Ų | 57 | 70.2 Ų | 70.2 | 31% | 0.305 | 37% | 0.366 | S | S | . | . | trans | -86.7 | 101.6 | -179.1 | -178 | 11.3 | 0 | 0 | 0 | 111.8 | T34 K35 K40 T41 G43 | T34-D38 PolarHBondContact O-N 3.4Å; K35-D38 PolarHBondContact O-N 3.43Å; D38-K40 PolarHBondContact O-N 2.86Å; D38-K40 VanDerWaalsContact O-N 3.15Å; D38-K40 WeakPolarHBondContact OD1-CB 3.35Å; D38-K40 PolarHBondContact OD1-N 3.26Å; D38-T41 WeakPolarHBondContact CB-OG1 3.48Å; D38-T41 PolarHBondContact O-N 3.17Å; D38-T41 WeakPolarHBondContact OD2-CB 3.37Å; D38-T41 WeakPolarHBondContact OD2-CG2 3.4Å; D38-T41 PolarHBondContact OD2-OG1 3.28Å; D38-G43 WeakPolarHBondContact O-CA 3.42Å; D38-G43 PolarHBondContact O-N 3.47Å | ||
| 39 | D | 80.4 | Confident | 92.3 | Very high | 131 Ų | 131 | 66 Ų | 66 | 70% | 0.701 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -22.3 | 177.8 | -68.3 | -24.7 | 0 | 0 | 0 | 113.2 | Q37 | Q37-D39 PolarHBondContact O-N 3.29Š|
| 40 | K | 81.3 | Confident | 91.9 | Very high | 196 Ų | 196 | 72.7 Ų | 72.7 | 85% | 0.852 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -30.8 | -176.8 | -62.9 | -178.8 | -179 | 177 | 0 | 113.1 | D38 | D38-K40 PolarHBondContact O-N 2.86Å; D38-K40 VanDerWaalsContact O-N 3.15Å; D38-K40 WeakPolarHBondContact OD1-CB 3.35Å; D38-K40 PolarHBondContact OD1-N 3.26Å |
| 41 | T | 77.4 | Confident | 91.3 | Very high | 93 Ų | 93 | 74.5 Ų | 74.5 | 57% | 0.571 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 10.6 | -176.3 | 54.3 | 0 | 0 | 0 | 0 | 113 | D38 | D38-T41 WeakPolarHBondContact CB-OG1 3.48Å; D38-T41 PolarHBondContact O-N 3.17Å; D38-T41 WeakPolarHBondContact OD2-CB 3.37Å; D38-T41 WeakPolarHBondContact OD2-CG2 3.4Å; D38-T41 PolarHBondContact OD2-OG1 3.28Å |
| 42 | G | 86.2 | Confident | 90.6 | Very high | 49 Ų | 49 | 79.6 Ų | 79.6 | 51% | 0.505 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 44 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | W68 | G42-W68 PolarHBondContact O-NE1 3.32Å; G42-W68 VanDerWaalsContact O-NE1 3.13Å |
| 43 | G | 93.1 | Very high | 89.7 | Confident | 16 Ų | 16 | 85.8 Ų | 85.8 | 17% | 0.165 | 45% | 0.446 | C | S | . | . | trans | -56 | 177.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | M36 D38 | M36-G43 CarbonylContact O-C 3.5Å; M36-G43 VanDerWaalsContact O-CA 3.31Å; M36-G43 WeakPolarHBondContact O-CA 3.34Å; D38-G43 WeakPolarHBondContact O-CA 3.42Å; D38-G43 PolarHBondContact O-N 3.47Å | ||
| 44 | V | 96 | Very high | 88.9 | Confident | 1 Ų | 1 | 88 Ų | 88 | 1% | 0.006 | 46% | 0.461 | C | S | . | . | trans | -70.9 | 130.1 | 178.9 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | M36 I46 V60 D64 I65 W68 F113 | M36-V44 HydrophobicContact CB-CG2 4.1Å; M36-V44 HydrophobicContact CG-CG2 4.12Å; M36-V44 PolarHBondContact O-N 3.05Å; V44-I46 PolarHBondContact O-N 3.33Å; V44-V60 HydrophobicContact CB-CG1 4.34Å; V44-V60 HydrophobicContact CG1-CB 3.77Å; V44-V60 HydrophobicContact CG1-CG1 3.66Å; V44-V60 HydrophobicContact CG1-CG2 4.49Å; V44-D64 HydrophobicContact CG1-CB 3.78Å; V44-I65 HydrophobicContact CG1-CG1 4.08Å; V44-W68 HydrophobicContact CG2-CB 3.69Å; V44-W68 HydrophobicContact CG2-CD2 4.18Å; V44-W68 HydrophobicContact CG2-CG 3.61Å; V44-F113 HydrophobicContact CB-CZ 4.47Å | ||
| 45 | P | 92.9 | Very high | 88.5 | Confident | 52 Ų | 52 | 90.2 Ų | 90.2 | 34% | 0.338 | 46% | 0.464 | S | S | . | . | trans | -68.2 | 106.8 | -174.9 | 27.2 | -35.6 | 0 | 0 | 0 | 112.2 | D64 | P45-D64 HydrophobicContact CG-CB 4.3Š| ||
| 46 | I | 94.3 | Very high | 88 | Confident | 73 Ų | 73 | 86.2 Ų | 86.2 | 37% | 0.374 | 45% | 0.449 | S | S | . | . | trans | -79.5 | 122.4 | 175.7 | -56.9 | 173.9 | 0 | 0 | 0 | 109.9 | V44 V60 F113 | V44-I46 PolarHBondContact O-N 3.33Å; I46-V60 HydrophobicContact CB-CG1 4.33Å; I46-V60 HydrophobicContact CG1-CG1 3.75Å; I46-F113 HydrophobicContact CD1-CD2 4.13Å; I46-F113 HydrophobicContact CD1-CE2 4.04Å; I46-F113 HydrophobicContact CG1-CE2 4.12Å | ||
| 47 | R | 92.1 | Very high | 87.8 | Confident | 142 Ų | 142 | 87 Ų | 87 | 54% | 0.536 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 157.7 | -173.7 | -60.4 | -179.8 | -171 | 172.2 | 7.5 | 112.7 | S58 V59 | R47-S58 PolarHBondContact O-N 3.34Å; R47-S58 VanDerWaalsContact O-N 3.14Å; R47-V59 PolarHBondContact N-O 3.17Å; R47-V59 WeakPolarHBondContact O-CG2 3.41Å; R47-V59 PolarHBondContact O-N 3.14Å |
| 48 | T | 92.6 | Very high | 87.6 | Confident | 71 Ų | 71 | 86.2 Ų | 86.2 | 44% | 0.436 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 112.2 | 164.4 | -66.4 | 0 | 0 | 0 | 0 | 109 | K55 I56 P57 | T48-K55 HydrophobicContact CG2-CD 4.32Å; T48-K55 HydrophobicContact CG2-CG 3.82Å; T48-I56 CarbonylContact C-O 3.56Å; T48-I56 WeakPolarHBondContact CA-O 3.48Å; T48-P57 HydrophobicContact CG2-CB 4.47Å |
| 49 | V | 90.2 | Very high | 87.8 | Confident | 47 Ų | 47 | 83.6 Ų | 83.6 | 29% | 0.285 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 127.6 | -178.7 | -178 | 0 | 0 | 0 | 0 | 109.5 | K55 I56 V59 F110 | V49-K55 WeakPolarHBondContact O-CA 3.25Å; V49-I56 PolarHBondContact N-O 3.31Å; V49-I56 PolarHBondContact O-N 3.29Å; V49-V59 HydrophobicContact CG2-CG2 3.75Å; V49-F110 HydrophobicContact CB-CZ 4.32Å; V49-F110 HydrophobicContact CG1-CE2 4.42Å; V49-F110 HydrophobicContact CG1-CZ 4.03Å; V49-F110 HydrophobicContact CG2-CE1 3.75Å; V49-F110 HydrophobicContact CG2-CZ 3.79Å |
| 50 | K | 89.1 | Confident | 88.6 | Confident | 158 Ų | 158 | 77.5 Ų | 77.5 | 69% | 0.687 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 128.9 | 176.5 | -68.5 | 178.1 | -176.7 | 174.9 | 0 | 109.2 | K55 | K50-K55 HydrophobicContact CG-CB 4.49Å; K50-K55 HydrophobicContact CG-CD 4.39Å; K50-K55 HydrophobicContact CG-CG 4.01Å |
| 51 | S | 85.4 | Confident | 89.3 | Confident | 69 Ų | 69 | 69.4 Ų | 69.4 | 48% | 0.483 | 38% | 0.377 | S | S | . | . | trans | -123.6 | 171.6 | 169.6 | 68.2 | 0 | 0 | 0 | 0 | 109.4 | L53 S54 | S51-L53 PolarHBondContact O-N 3.01Å; S51-S54 PolarHBondContact N-O 2.87Å; S51-S54 PolarHBondContact O-N 2.84Å; S51-S54 PolarHBondContact OG-N 3.17Å; S51-S54 PolarHBondContact OG-O 3.27Å; S51-S54 PolarHBondContact OG-OG 3.46Å | ||
| 52 | F | 81.7 | Confident | 90.3 | Very high | 206 Ų | 206 | 65 Ų | 65 | 90% | 0.904 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -56.8 | -35.8 | 176.9 | -177.6 | -105.8 | 0 | 0 | 0 | 112.8 | ||
| 53 | L | 77.8 | Confident | 90.9 | Very high | 158 Ų | 158 | 65 Ų | 65 | 83% | 0.827 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -100.5 | -18.8 | -175.2 | -64.5 | 174.3 | 0 | 0 | 0 | 114 | S51 | S51-L53 PolarHBondContact O-N 3.01Š|
| 54 | S | 80.6 | Confident | 91.1 | Very high | 46 Ų | 46 | 66.2 Ų | 66.2 | 32% | 0.322 | 34% | 0.343 | S | S | . | . | trans | -153 | 146.1 | -172.3 | 71.6 | 0 | 0 | 0 | 0 | 114.2 | S51 | S51-S54 PolarHBondContact N-O 2.87Å; S51-S54 PolarHBondContact O-N 2.84Å; S51-S54 PolarHBondContact OG-N 3.17Å; S51-S54 PolarHBondContact OG-O 3.27Å; S51-S54 PolarHBondContact OG-OG 3.46Å | ||
| 55 | K | 86.7 | Confident | 91.2 | Very high | 130 Ų | 130 | 66.2 Ų | 66.2 | 57% | 0.565 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 117.8 | 166.1 | 179.9 | 179.3 | 178.5 | -168.9 | 0 | 107.9 | T48 V49 K50 | T48-K55 HydrophobicContact CG2-CD 4.32Å; T48-K55 HydrophobicContact CG2-CG 3.82Å; V49-K55 WeakPolarHBondContact O-CA 3.25Å; K50-K55 HydrophobicContact CG-CB 4.49Å; K50-K55 HydrophobicContact CG-CD 4.39Å; K50-K55 HydrophobicContact CG-CG 4.01Å |
| 56 | I | 87.3 | Confident | 91.5 | Very high | 41 Ų | 41 | 63.8 Ų | 63.8 | 21% | 0.21 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 103.1 | -177.9 | -52 | 179.2 | 0 | 0 | 0 | 107.9 | T48 V49 V59 I97 | T48-I56 CarbonylContact C-O 3.56Å; T48-I56 WeakPolarHBondContact CA-O 3.48Å; V49-I56 PolarHBondContact N-O 3.31Å; V49-I56 PolarHBondContact O-N 3.29Å; I56-V59 HydrophobicContact CG2-CG1 3.59Å; I56-I97 HydrophobicContact CD1-CD1 4.08Å; I56-I97 HydrophobicContact CG2-CD1 3.76Å |
| 57 | P | 91.4 | Very high | 91.6 | Very high | 15 Ų | 15 | 65 Ų | 65 | 10% | 0.097 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 159.8 | -179 | 36 | -40.8 | 0 | 0 | 0 | 111.8 | T48 V59 R112 T187 I191 | T48-P57 HydrophobicContact CG2-CB 4.47Å; P57-V59 PolarHBondContact O-N 2.91Å; P57-R112 PolarHBondContact O-NH1 3.39Å; P57-R112 PolarHBondContact O-NH2 2.91Å; P57-T187 HydrophobicContact CB-CG2 4.14Å; P57-T187 HydrophobicContact CG-CG2 3.59Å; P57-I191 HydrophobicContact CG-CD1 3.89Å; P57-I191 HydrophobicContact CG-CG1 4.17Å |
| 58 | S | 91.4 | Very high | 91.9 | Very high | 59 Ų | 59 | 59.2 Ų | 59.2 | 41% | 0.413 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.7 | 58.4 | 165.7 | -46 | 0 | 0 | 0 | 0 | 114.4 | R47 R112 | R47-S58 PolarHBondContact O-N 3.34Å; R47-S58 VanDerWaalsContact O-N 3.14Å; S58-R112 WeakPolarHBondContact O-CG 3.25Å; S58-R112 PolarHBondContact O-NH1 3.47Å |
| 59 | V | 95.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 153.4 | 176 | -68 | 0 | 0 | 0 | 0 | 111.3 | R47 V49 I56 P57 I97 F110 Y111 R112 | R47-V59 PolarHBondContact N-O 3.17Å; R47-V59 WeakPolarHBondContact O-CG2 3.41Å; R47-V59 PolarHBondContact O-N 3.14Å; V49-V59 HydrophobicContact CG2-CG2 3.75Å; I56-V59 HydrophobicContact CG2-CG1 3.59Å; P57-V59 PolarHBondContact O-N 2.91Å; V59-I97 HydrophobicContact CG1-CD1 4.21Å; V59-I97 HydrophobicContact CG1-CG2 4.15Å; V59-F110 HydrophobicContact CB-CB 4.16Å; V59-F110 HydrophobicContact CB-CD1 4.18Å; V59-F110 HydrophobicContact CB-CG 4.38Å; V59-F110 HydrophobicContact CG1-CB 4.24Å; V59-F110 HydrophobicContact CG2-CD1 3.86Å; V59-F110 HydrophobicContact CG2-CE1 4.35Å; V59-F110 HydrophobicContact CG2-CG 4.26Å; V59-Y111 VanDerWaalsContact CA-O 3.32Å; V59-Y111 WeakPolarHBondContact CA-O 3.26Å; V59-R112 HydrophobicContact CG1-CG 4.2Å |
| 60 | V | 97.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 154.1 | 171.4 | -65.5 | 0 | 0 | 0 | 0 | 108.7 | V44 I46 I65 F110 Y111 F113 | V44-V60 HydrophobicContact CB-CG1 4.34Å; V44-V60 HydrophobicContact CG1-CB 3.77Å; V44-V60 HydrophobicContact CG1-CG1 3.66Å; V44-V60 HydrophobicContact CG1-CG2 4.49Å; I46-V60 HydrophobicContact CB-CG1 4.33Å; I46-V60 HydrophobicContact CG1-CG1 3.75Å; V60-I65 HydrophobicContact CB-CG1 4.46Å; V60-I65 HydrophobicContact CG2-CD1 3.56Å; V60-I65 HydrophobicContact CG2-CG1 3.92Å; V60-F110 WeakPolarHBondContact O-CA 3.46Å; V60-Y111 PolarHBondContact N-O 3.25Å; V60-Y111 PolarHBondContact O-N 3.08Å; V60-F113 HydrophobicContact CG1-CE2 3.96Å; V60-F113 HydrophobicContact CG2-CE2 4.38Å |
| 61 | T | 97.5 | Very high | 92.9 | Very high | 26 Ų | 26 | 55.8 Ų | 55.8 | 16% | 0.16 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 153.6 | 175.6 | 69.7 | 0 | 0 | 0 | 0 | 110.9 | T63 D64 I65 T109 F110 | T61-T63 VanDerWaalsContact C-N 3.32Å; T61-T63 PolarHBondContact O-N 3.4Å; T61-D64 PolarHBondContact O-N 3.11Å; T61-D64 WeakPolarHBondContact OG1-CB 3.37Å; T61-D64 PolarHBondContact OG1-N 2.97Å; T61-D64 VanDerWaalsContact OG1-N 3.09Å; T61-D64 PolarHBondContact OG1-OD2 2.84Å; T61-I65 WeakPolarHBondContact O-CG1 3.32Å; T61-I65 PolarHBondContact O-N 2.72Å; T61-T109 CarbonylContact C-O 3.44Å; T61-T109 WeakPolarHBondContact CA-O 3.43Å; T61-F110 HydrophobicContact CG2-CD1 4.17Å; T61-F110 HydrophobicContact CG2-CE1 3.93Å |
| 62 | G | 98 | Very high | 93.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58 | -45.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | D64 I65 V66 K105 D107 T109 | G62-D64 PolarHBondContact O-N 3.39Å; G62-I65 PolarHBondContact O-N 2.71Å; G62-I65 VanDerWaalsContact O-N 3.16Å; G62-V66 WeakPolarHBondContact O-CG2 3.42Å; G62-V66 PolarHBondContact O-N 3.42Å; G62-K105 CarbonylContact C-O 3.28Å; G62-K105 VanDerWaalsContact CA-O 3.24Å; G62-K105 WeakPolarHBondContact CA-O 3.34Å; G62-D107 PolarHBondContact N-O 3.49Å; G62-T109 PolarHBondContact N-O 3.45Å |
| 63 | T | 98.1 | Very high | 94.2 | Very high | 50 Ų | 50 | 49.3 Ų | 49.3 | 31% | 0.307 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.9 | -43.7 | 174.5 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | T61 I65 V66 Q67 D106 D107 | T61-T63 VanDerWaalsContact C-N 3.32Å; T61-T63 PolarHBondContact O-N 3.4Å; T63-I65 VanDerWaalsContact C-N 3.3Å; T63-I65 PolarHBondContact O-N 3.4Å; T63-V66 PolarHBondContact O-N 3.26Å; T63-Q67 HydrophobicContact CG2-CG 4.14Å; T63-Q67 WeakPolarHBondContact O-CB 3.26Å; T63-Q67 VanDerWaalsContact O-CG 3.25Å; T63-Q67 WeakPolarHBondContact O-CG 3.4Å; T63-Q67 PolarHBondContact O-N 2.83Å; T63-D106 VanDerWaalsContact CA-OD1 3.22Å; T63-D106 WeakPolarHBondContact CA-OD1 3.28Å; T63-D106 WeakPolarHBondContact CB-OD1 3.35Å; T63-D106 PolarHBondContact OG1-OD1 3.22Å; T63-D107 PolarHBondContact N-O 3.42Å; T63-D107 VanDerWaalsContact N-O 3.1Å; T63-D107 WeakPolarHBondContact OG1-CA 3.42Å; T63-D107 PolarHBondContact OG1-N 3.15Å; T63-D107 PolarHBondContact OG1-O 2.7Å |
| 64 | D | 97.8 | Very high | 95.1 | Very high | 42 Ų | 42 | 46.8 Ų | 46.8 | 23% | 0.225 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62 | -38.4 | 177.9 | -67.7 | -44 | 0 | 0 | 0 | 111.8 | V44 P45 T61 G62 W68 | V44-D64 HydrophobicContact CG1-CB 3.78Å; P45-D64 HydrophobicContact CG-CB 4.3Å; T61-D64 PolarHBondContact O-N 3.11Å; T61-D64 WeakPolarHBondContact OG1-CB 3.37Å; T61-D64 PolarHBondContact OG1-N 2.97Å; T61-D64 VanDerWaalsContact OG1-N 3.09Å; T61-D64 PolarHBondContact OG1-OD2 2.84Å; G62-D64 PolarHBondContact O-N 3.39Å; D64-W68 VanDerWaalsContact O-CB 3.28Å; D64-W68 WeakPolarHBondContact O-CB 3.49Å; D64-W68 PolarHBondContact O-N 3.48Å |
| 65 | I | 98.3 | Very high | 96 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.5 | -47.3 | 177 | -63.9 | 162.9 | 0 | 0 | 0 | 110.9 | M36 V44 V60 T61 G62 T63 W68 L69 I94 M104 Y111 | M36-I65 HydrophobicContact CE-CG2 3.96Å; V44-I65 HydrophobicContact CG1-CG1 4.08Å; V60-I65 HydrophobicContact CB-CG1 4.46Å; V60-I65 HydrophobicContact CG2-CD1 3.56Å; V60-I65 HydrophobicContact CG2-CG1 3.92Å; T61-I65 WeakPolarHBondContact O-CG1 3.32Å; T61-I65 PolarHBondContact O-N 2.72Å; G62-I65 PolarHBondContact O-N 2.71Å; G62-I65 VanDerWaalsContact O-N 3.16Å; T63-I65 VanDerWaalsContact C-N 3.3Å; T63-I65 PolarHBondContact O-N 3.4Å; I65-W68 PolarHBondContact O-N 3.45Å; I65-L69 HydrophobicContact CG2-CD1 4.09Å; I65-L69 HydrophobicContact CG2-CG 4.46Å; I65-L69 WeakPolarHBondContact O-CG 3.29Å; I65-L69 PolarHBondContact O-N 2.92Å; I65-I94 HydrophobicContact CD1-CD1 4.41Å; I65-I94 HydrophobicContact CD1-CG2 4.05Å; I65-I94 HydrophobicContact CG2-CD1 4.47Å; I65-M104 HydrophobicContact CB-CE 4.41Å; I65-M104 HydrophobicContact CB-SD 4.3Å; I65-M104 HydrophobicContact CD1-CE 3.94Å; I65-M104 HydrophobicContact CD1-SD 3.93Å; I65-M104 HydrophobicContact CG2-CE 3.79Å; I65-M104 HydrophobicContact CG2-SD 4.27Å; I65-Y111 HydrophobicContact CD1-CD2 4.23Å; I65-Y111 HydrophobicContact CD1-CG 4.11Å |
| 66 | V | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.2 | -46.6 | -178.5 | 172 | 0 | 0 | 0 | 0 | 110.5 | G62 T63 W68 L69 M70 A81 I82 M104 D106 | G62-V66 WeakPolarHBondContact O-CG2 3.42Å; G62-V66 PolarHBondContact O-N 3.42Å; T63-V66 PolarHBondContact O-N 3.26Å; V66-W68 VanDerWaalsContact C-N 3.3Å; V66-W68 PolarHBondContact O-N 3.28Å; V66-L69 WeakPolarHBondContact O-CB 3.32Å; V66-L69 PolarHBondContact O-N 3.04Å; V66-M70 HydrophobicContact CG1-SD 4.33Å; V66-M70 WeakPolarHBondContact O-CG 3.41Å; V66-M70 PolarHBondContact O-N 3.42Å; V66-A81 HydrophobicContact CG1-CB 4.16Å; V66-I82 HydrophobicContact CG1-CG1 4.03Å; V66-I82 HydrophobicContact CG2-CG1 3.89Å; V66-M104 HydrophobicContact CG2-CG 4.08Å; V66-D106 HydrophobicContact CG1-CB 4.47Å; V66-D106 HydrophobicContact CG2-CB 4.15Å |
| 67 | Q | 98 | Very high | 97 | Very high | 100 Ų | 100 | 49.9 Ų | 49.9 | 47% | 0.467 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63 | -37.6 | 176.7 | -68 | -58.3 | -40.6 | 0 | 0 | 112.2 | T63 K71 | T63-Q67 HydrophobicContact CG2-CG 4.14Å; T63-Q67 WeakPolarHBondContact O-CB 3.26Å; T63-Q67 VanDerWaalsContact O-CG 3.25Å; T63-Q67 WeakPolarHBondContact O-CG 3.4Å; T63-Q67 PolarHBondContact O-N 2.83Å; Q67-K71 WeakPolarHBondContact O-CB 3.35Å; Q67-K71 PolarHBondContact O-N 3.42Å; Q67-K71 VanDerWaalsContact O-N 3.07Å |
| 68 | W | 97.9 | Very high | 97.3 | Very high | 19 Ų | 19 | 51.9 Ų | 51.9 | 7% | 0.072 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 174.6 | -172.2 | 99.1 | 0 | 0 | 0 | 111.7 | I32 K35 M36 G42 V44 D64 I65 V66 K71 N72 | I32-W68 HydrophobicContact CG2-CH2 4.45Å; I32-W68 HydrophobicContact CG2-CZ3 3.98Å; K35-W68 HydrophobicContact CB-CH2 3.75Å; K35-W68 HydrophobicContact CB-CZ2 3.76Å; M36-W68 HydrophobicContact CE-CD2 4.45Å; M36-W68 HydrophobicContact CE-CE3 3.47Å; M36-W68 VanDerWaalsContact CE-CE3 3.47Å; M36-W68 HydrophobicContact CE-CZ3 3.66Å; M36-W68 HydrophobicContact CG-CD2 3.82Å; M36-W68 HydrophobicContact CG-CE3 3.48Å; M36-W68 VanDerWaalsContact CG-CE3 3.48Å; M36-W68 HydrophobicContact CG-CH2 3.68Å; M36-W68 HydrophobicContact CG-CZ2 3.99Å; M36-W68 HydrophobicContact CG-CZ3 3.43Å; M36-W68 VanDerWaalsContact CG-CZ3 3.43Å; M36-W68 HydrophobicContact SD-CE3 4.36Å; M36-W68 HydrophobicContact SD-CZ3 4.41Å; G42-W68 PolarHBondContact O-NE1 3.32Å; G42-W68 VanDerWaalsContact O-NE1 3.13Å; V44-W68 HydrophobicContact CG2-CB 3.69Å; V44-W68 HydrophobicContact CG2-CD2 4.18Å; V44-W68 HydrophobicContact CG2-CG 3.61Å; D64-W68 VanDerWaalsContact O-CB 3.28Å; D64-W68 WeakPolarHBondContact O-CB 3.49Å; D64-W68 PolarHBondContact O-N 3.48Å; I65-W68 PolarHBondContact O-N 3.45Å; V66-W68 VanDerWaalsContact C-N 3.3Å; V66-W68 PolarHBondContact O-N 3.28Å; W68-K71 PolarHBondContact O-N 3.13Å; W68-N72 VanDerWaalsContact CD1-ND2 3.35Å; W68-N72 HydrophobicContact CD2-CB 4.23Å; W68-N72 VanDerWaalsContact CE2-ND2 3.28Å; W68-N72 HydrophobicContact CE3-CB 4.2Å; W68-N72 HydrophobicContact CH2-CB 3.98Å; W68-N72 HydrophobicContact CZ2-CB 4.01Å; W68-N72 HydrophobicContact CZ3-CB 4.07Å; W68-N72 PolarHBondContact NE1-ND2 2.92Å; W68-N72 WeakPolarHBondContact O-CB 3.42Å; W68-N72 PolarHBondContact O-N 3.3Å; W68-N72 PolarHBondContact O-ND2 3.3Å |
| 69 | L | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.1 | -50.2 | 177.1 | -76 | 169.4 | 0 | 0 | 0 | 111.3 | I32 M36 I65 V66 K71 N72 L73 A81 L84 I88 | I32-L69 HydrophobicContact CG2-CD2 4.27Å; M36-L69 HydrophobicContact CE-CD1 4.15Å; M36-L69 HydrophobicContact CE-CD2 3.27Å; M36-L69 HydrophobicContact CE-CG 3.5Å; M36-L69 VanDerWaalsContact CE-CG 3.5Å; I65-L69 HydrophobicContact CG2-CD1 4.09Å; I65-L69 HydrophobicContact CG2-CG 4.46Å; I65-L69 WeakPolarHBondContact O-CG 3.29Å; I65-L69 PolarHBondContact O-N 2.92Å; V66-L69 WeakPolarHBondContact O-CB 3.32Å; V66-L69 PolarHBondContact O-N 3.04Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 3.33Å; L69-N72 PolarHBondContact O-N 3.43Å; L69-L73 HydrophobicContact CD2-CD1 3.62Å; L69-L73 HydrophobicContact CD2-CG 4.46Å; L69-L73 VanDerWaalsContact O-CB 3.29Å; L69-L73 WeakPolarHBondContact O-CB 3.23Å; L69-L73 PolarHBondContact O-N 3.42Å; L69-A81 HydrophobicContact CB-CB 4.28Å; L69-L84 HydrophobicContact CD2-CD2 4.21Å; L69-I88 HydrophobicContact CD2-CD1 4.47Å |
| 70 | M | 98.1 | Very high | 97.7 | Very high | 34 Ų | 34 | 59 Ų | 59 | 17% | 0.167 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55.4 | -49.2 | 178.2 | -69.8 | -177.7 | 75.4 | 0 | 0 | 111.9 | V66 S74 I75 E76 P78 A81 | V66-M70 HydrophobicContact CG1-SD 4.33Å; V66-M70 WeakPolarHBondContact O-CG 3.41Å; V66-M70 PolarHBondContact O-N 3.42Å; M70-S74 VanDerWaalsContact O-CA 3.32Å; M70-S74 WeakPolarHBondContact O-CA 3.26Å; M70-S74 PolarHBondContact O-N 2.86Å; M70-S74 VanDerWaalsContact O-N 3.1Å; M70-I75 PolarHBondContact O-N 3.18Å; M70-E76 WeakPolarHBondContact CE-O 3.31Å; M70-P78 HydrophobicContact CE-CB 4.34Å; M70-P78 HydrophobicContact CE-CG 3.76Å; M70-P78 HydrophobicContact SD-CB 4.12Å; M70-P78 HydrophobicContact SD-CG 4.12Å; M70-A81 HydrophobicContact CG-CB 3.5Å; M70-A81 VanDerWaalsContact CG-CB 3.5Å; M70-A81 HydrophobicContact SD-CB 4.5Å |
| 71 | K | 97.1 | Very high | 97.8 | Very high | 171 Ų | 171 | 58.9 Ų | 58.9 | 74% | 0.743 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -67.4 | -48.8 | -178.1 | -176.9 | -177.8 | 175.7 | -174.2 | 0 | 113 | Q67 W68 L69 | Q67-K71 WeakPolarHBondContact O-CB 3.35Å; Q67-K71 PolarHBondContact O-N 3.42Å; Q67-K71 VanDerWaalsContact O-N 3.07Å; W68-K71 PolarHBondContact O-N 3.13Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 3.33Å |
| 72 | N | 96.8 | Very high | 97.9 | Very high | 72 Ų | 72 | 59.9 Ų | 59.9 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -87.3 | -19.2 | -168.8 | -69.5 | -84.6 | 0 | 0 | 0 | 113.7 | W68 L69 | W68-N72 VanDerWaalsContact CD1-ND2 3.35Å; W68-N72 HydrophobicContact CD2-CB 4.23Å; W68-N72 VanDerWaalsContact CE2-ND2 3.28Å; W68-N72 HydrophobicContact CE3-CB 4.2Å; W68-N72 HydrophobicContact CH2-CB 3.98Å; W68-N72 HydrophobicContact CZ2-CB 4.01Å; W68-N72 HydrophobicContact CZ3-CB 4.07Å; W68-N72 PolarHBondContact NE1-ND2 2.92Å; W68-N72 WeakPolarHBondContact O-CB 3.42Å; W68-N72 PolarHBondContact O-N 3.3Å; W68-N72 PolarHBondContact O-ND2 3.3Å; L69-N72 PolarHBondContact O-N 3.43Å |
| 73 | L | 96.8 | Very high | 97.9 | Very high | 67 Ų | 67 | 65.4 Ų | 65.4 | 35% | 0.351 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -107.9 | 4.1 | 175.1 | -54.6 | -177.5 | 0 | 0 | 0 | 112.9 | I32 L69 I75 L84 | I32-L73 HydrophobicContact CD1-CD1 4.2Å; L69-L73 HydrophobicContact CD2-CD1 3.62Å; L69-L73 HydrophobicContact CD2-CG 4.46Å; L69-L73 VanDerWaalsContact O-CB 3.29Å; L69-L73 WeakPolarHBondContact O-CB 3.23Å; L69-L73 PolarHBondContact O-N 3.42Å; L73-I75 VanDerWaalsContact C-N 3.3Å; L73-I75 HydrophobicContact CB-CD1 4Å; L73-I75 HydrophobicContact CB-CG1 3.99Å; L73-I75 HydrophobicContact CD1-CD1 4.27Å; L73-I75 PolarHBondContact O-N 3.08Å; L73-L84 HydrophobicContact CD1-CD2 3.58Å |
| 74 | S | 97.5 | Very high | 97.9 | Very high | 105 Ų | 105 | 65.4 Ų | 65.4 | 73% | 0.734 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 42.8 | -179.1 | -56.2 | 0 | 0 | 0 | 0 | 113 | M70 | M70-S74 VanDerWaalsContact O-CA 3.32Å; M70-S74 WeakPolarHBondContact O-CA 3.26Å; M70-S74 PolarHBondContact O-N 2.86Å; M70-S74 VanDerWaalsContact O-N 3.1Å |
| 75 | I | 98.1 | Very high | 97.9 | Very high | 16 Ų | 16 | 63.4 Ų | 63.4 | 8% | 0.082 | 33% | 0.326 | C | S | . | . | trans | -87.7 | 119.1 | 176.6 | -57.9 | 167.9 | 0 | 0 | 0 | 108.3 | M70 L73 D77 E80 A81 L84 | M70-I75 PolarHBondContact O-N 3.18Å; L73-I75 VanDerWaalsContact C-N 3.3Å; L73-I75 HydrophobicContact CB-CD1 4Å; L73-I75 HydrophobicContact CB-CG1 3.99Å; L73-I75 HydrophobicContact CD1-CD1 4.27Å; L73-I75 PolarHBondContact O-N 3.08Å; I75-D77 VanDerWaalsContact CG2-O 3.31Å; I75-D77 WeakPolarHBondContact CG2-O 3.46Å; I75-E80 HydrophobicContact CG2-CB 3.72Å; I75-E80 HydrophobicContact CG2-CG 3.84Å; I75-A81 HydrophobicContact CB-CB 4.47Å; I75-A81 HydrophobicContact CD1-CB 4.23Å; I75-A81 HydrophobicContact CG2-CB 4.07Å; I75-L84 HydrophobicContact CD1-CD2 3.92Å | ||
| 76 | E | 97.3 | Very high | 98 | Very high | 183 Ų | 183 | 64.5 Ų | 64.5 | 86% | 0.855 | 33% | 0.333 | S | S | * | . | trans | -80.9 | -40.4 | -178 | -64.1 | -174.8 | 175.8 | 0 | 0 | 112.4 | M70 P78 | M70-E76 WeakPolarHBondContact CE-O 3.31Å; E76-P78 WeakPolarHBondContact O-CD 3.46Å | ||
| 77 | D | 97.6 | Very high | 98 | Very high | 82 Ų | 82 | 68.5 Ų | 68.5 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | trans | -87.6 | 118.3 | -179.8 | -176.4 | 0.4 | 0 | 0 | 0 | 111.3 | I75 V79 E80 A81 | I75-D77 VanDerWaalsContact CG2-O 3.31Å; I75-D77 WeakPolarHBondContact CG2-O 3.46Å; D77-V79 PolarHBondContact O-N 2.98Å; D77-V79 VanDerWaalsContact O-N 3.16Å; D77-V79 WeakPolarHBondContact OD1-CB 3.43Å; D77-V79 PolarHBondContact OD1-N 3.35Å; D77-E80 HydrophobicContact CB-CB 4.31Å; D77-E80 PolarHBondContact O-N 3.09Å; D77-E80 VanDerWaalsContact O-N 3.11Å; D77-A81 PolarHBondContact O-N 3.5Å | ||
| 78 | P | 97.3 | Very high | 98 | Very high | 57 Ų | 57 | 63.8 Ų | 63.8 | 37% | 0.37 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -54.4 | -32.5 | 174 | -23.6 | 32.2 | 0 | 0 | 0 | 113.6 | M70 E76 E80 A81 I82 | M70-P78 HydrophobicContact CE-CB 4.34Å; M70-P78 HydrophobicContact CE-CG 3.76Å; M70-P78 HydrophobicContact SD-CB 4.12Å; M70-P78 HydrophobicContact SD-CG 4.12Å; E76-P78 WeakPolarHBondContact O-CD 3.46Å; P78-E80 VanDerWaalsContact C-N 3.33Å; P78-E80 PolarHBondContact O-N 3.26Å; P78-A81 PolarHBondContact O-N 3.21Å; P78-I82 WeakPolarHBondContact O-CD1 3.43Å; P78-I82 VanDerWaalsContact O-CG1 3.24Å; P78-I82 WeakPolarHBondContact O-CG1 3.32Å; P78-I82 PolarHBondContact O-N 2.92Å |
| 79 | V | 98.2 | Very high | 98 | Very high | 98 Ų | 98 | 62.9 Ų | 62.9 | 59% | 0.594 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.7 | -39.3 | -179.9 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | D77 I82 H83 | D77-V79 PolarHBondContact O-N 2.98Å; D77-V79 VanDerWaalsContact O-N 3.16Å; D77-V79 WeakPolarHBondContact OD1-CB 3.43Å; D77-V79 PolarHBondContact OD1-N 3.35Å; V79-I82 PolarHBondContact O-N 3.49Å; V79-H83 VanDerWaalsContact O-CB 3.31Å; V79-H83 WeakPolarHBondContact O-CB 3.42Å; V79-H83 PolarHBondContact O-N 3.46Å |
| 80 | E | 98.5 | Very high | 98 | Very high | 113 Ų | 113 | 64.1 Ų | 64.1 | 53% | 0.528 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 174.7 | -179.4 | 178.2 | -170 | 0 | 0 | 111.2 | I75 D77 P78 H83 L84 | I75-E80 HydrophobicContact CG2-CB 3.72Å; I75-E80 HydrophobicContact CG2-CG 3.84Å; D77-E80 HydrophobicContact CB-CB 4.31Å; D77-E80 PolarHBondContact O-N 3.09Å; D77-E80 VanDerWaalsContact O-N 3.11Å; P78-E80 VanDerWaalsContact C-N 3.33Å; P78-E80 PolarHBondContact O-N 3.26Å; E80-H83 PolarHBondContact O-N 3.02Å; E80-L84 WeakPolarHBondContact O-CB 3.45Å; E80-L84 PolarHBondContact O-N 2.82Å |
| 81 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65 | -42 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | V66 L69 M70 I75 D77 P78 H83 L84 G85 | V66-A81 HydrophobicContact CG1-CB 4.16Å; L69-A81 HydrophobicContact CB-CB 4.28Å; M70-A81 HydrophobicContact CG-CB 3.5Å; M70-A81 VanDerWaalsContact CG-CB 3.5Å; M70-A81 HydrophobicContact SD-CB 4.5Å; I75-A81 HydrophobicContact CB-CB 4.47Å; I75-A81 HydrophobicContact CD1-CB 4.23Å; I75-A81 HydrophobicContact CG2-CB 4.07Å; D77-A81 PolarHBondContact O-N 3.5Å; P78-A81 PolarHBondContact O-N 3.21Å; A81-H83 VanDerWaalsContact C-N 3.34Å; A81-L84 PolarHBondContact O-N 3.08Å; A81-G85 PolarHBondContact O-N 2.84Å |
| 82 | I | 98.6 | Very high | 97.9 | Very high | 47 Ų | 47 | 56.2 Ų | 56.2 | 24% | 0.241 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 174.3 | -66.7 | 162.8 | 0 | 0 | 0 | 110.6 | V66 P78 V79 G85 S86 D106 | V66-I82 HydrophobicContact CG1-CG1 4.03Å; V66-I82 HydrophobicContact CG2-CG1 3.89Å; P78-I82 WeakPolarHBondContact O-CD1 3.43Å; P78-I82 VanDerWaalsContact O-CG1 3.24Å; P78-I82 WeakPolarHBondContact O-CG1 3.32Å; P78-I82 PolarHBondContact O-N 2.92Å; V79-I82 PolarHBondContact O-N 3.49Å; I82-G85 PolarHBondContact O-N 3.4Å; I82-S86 WeakPolarHBondContact O-CB 3.45Å; I82-S86 PolarHBondContact O-N 3.12Å; I82-S86 PolarHBondContact O-OG 2.97Å; I82-D106 HydrophobicContact CD1-CB 3.69Å; I82-D106 HydrophobicContact CG1-CB 3.98Å |
| 83 | H | 98.6 | Very high | 98 | Very high | 116 Ų | 116 | 52.8 Ų | 52.8 | 54% | 0.537 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.7 | -49.9 | 177.2 | -177.1 | 67.8 | 0 | 0 | 0 | 111.4 | V79 E80 A81 G85 S86 L87 | V79-H83 VanDerWaalsContact O-CB 3.31Å; V79-H83 WeakPolarHBondContact O-CB 3.42Å; V79-H83 PolarHBondContact O-N 3.46Å; E80-H83 PolarHBondContact O-N 3.02Å; A81-H83 VanDerWaalsContact C-N 3.34Å; H83-G85 PolarHBondContact O-N 3.45Å; H83-S86 WeakPolarHBondContact O-CB 3.3Å; H83-S86 PolarHBondContact O-N 3.35Å; H83-S86 VanDerWaalsContact O-N 3.14Å; H83-L87 WeakPolarHBondContact O-CG 3.29Å; H83-L87 PolarHBondContact O-N 3.36Å |
| 84 | L | 98.6 | Very high | 98 | Very high | 50 Ų | 50 | 49.7 Ų | 49.7 | 26% | 0.262 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 176 | 178.2 | 60.1 | 0 | 0 | 0 | 111.5 | L69 L73 I75 E80 A81 S86 L87 I88 | L69-L84 HydrophobicContact CD2-CD2 4.21Å; L73-L84 HydrophobicContact CD1-CD2 3.58Å; I75-L84 HydrophobicContact CD1-CD2 3.92Å; E80-L84 WeakPolarHBondContact O-CB 3.45Å; E80-L84 PolarHBondContact O-N 2.82Å; A81-L84 PolarHBondContact O-N 3.08Å; L84-S86 VanDerWaalsContact C-N 3.27Å; L84-S86 PolarHBondContact O-N 3.5Å; L84-L87 PolarHBondContact O-N 3.24Å; L84-I88 HydrophobicContact CD1-CD1 4.36Å; L84-I88 HydrophobicContact CD1-CG1 4.48Å; L84-I88 HydrophobicContact CG-CD1 4.16Å; L84-I88 WeakPolarHBondContact O-CG1 3.5Å; L84-I88 PolarHBondContact O-N 2.64Å |
| 85 | G | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.1 | -38.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A81 I82 H83 I88 A89 | A81-G85 PolarHBondContact O-N 2.84Å; I82-G85 PolarHBondContact O-N 3.4Å; H83-G85 PolarHBondContact O-N 3.45Å; G85-I88 PolarHBondContact O-N 3.09Å; G85-A89 WeakPolarHBondContact O-CB 3.47Å; G85-A89 PolarHBondContact O-N 3.42Å |
| 86 | S | 98.5 | Very high | 98.1 | Very high | 23 Ų | 23 | 44.1 Ų | 44.1 | 16% | 0.161 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68 | -38.3 | 176.1 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | I82 H83 L84 A89 A90 M104 | I82-S86 WeakPolarHBondContact O-CB 3.45Å; I82-S86 PolarHBondContact O-N 3.12Å; I82-S86 PolarHBondContact O-OG 2.97Å; H83-S86 WeakPolarHBondContact O-CB 3.3Å; H83-S86 PolarHBondContact O-N 3.35Å; H83-S86 VanDerWaalsContact O-N 3.14Å; L84-S86 VanDerWaalsContact C-N 3.27Å; L84-S86 PolarHBondContact O-N 3.5Å; S86-A89 PolarHBondContact O-N 2.66Å; S86-A90 WeakPolarHBondContact O-CB 3.5Å; S86-A90 PolarHBondContact O-N 3.19Å; S86-M104 WeakPolarHBondContact OG-CB 3.5Å; S86-M104 PolarHBondContact OG-N 3.08Å |
| 87 | L | 98.4 | Very high | 97.9 | Very high | 85 Ų | 85 | 37.1 Ų | 37.1 | 45% | 0.445 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.8 | -42.4 | 173.6 | -69.7 | 176.1 | 0 | 0 | 0 | 111.7 | H83 L84 A89 A90 Q91 | H83-L87 WeakPolarHBondContact O-CG 3.29Å; H83-L87 PolarHBondContact O-N 3.36Å; L84-L87 PolarHBondContact O-N 3.24Å; L87-A89 VanDerWaalsContact C-N 3.28Å; L87-A89 PolarHBondContact O-N 2.89Å; L87-A90 PolarHBondContact O-N 3.43Å; L87-Q91 VanDerWaalsContact O-CG 3.25Å; L87-Q91 WeakPolarHBondContact O-CG 3.22Å; L87-Q91 PolarHBondContact O-N 2.9Å |
| 88 | I | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.5 | -41.1 | 174.4 | -68.3 | 171.4 | 0 | 0 | 0 | 110.5 | I29 I32 I33 L69 L84 G85 Q91 G92 Y93 I94 | I29-I88 HydrophobicContact CG2-CB 4.48Å; I29-I88 HydrophobicContact CG2-CG1 4.02Å; I29-I88 HydrophobicContact CG2-CG2 4.04Å; I32-I88 HydrophobicContact CG2-CD1 4.29Å; I33-I88 HydrophobicContact CD1-CG2 3.74Å; I33-I88 HydrophobicContact CG1-CG2 4.41Å; L69-I88 HydrophobicContact CD2-CD1 4.47Å; L84-I88 HydrophobicContact CD1-CD1 4.36Å; L84-I88 HydrophobicContact CD1-CG1 4.48Å; L84-I88 HydrophobicContact CG-CD1 4.16Å; L84-I88 WeakPolarHBondContact O-CG1 3.5Å; L84-I88 PolarHBondContact O-N 2.64Å; G85-I88 PolarHBondContact O-N 3.09Å; I88-Q91 PolarHBondContact O-N 3.31Å; I88-G92 PolarHBondContact O-N 3.21Å; I88-Y93 PolarHBondContact O-N 3.01Å; I88-I94 HydrophobicContact CG2-CD1 4.03Å; I88-I94 HydrophobicContact CG2-CG1 4.14Å |
| 89 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.3 | -44.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G85 S86 L87 Q91 G92 I94 | G85-A89 WeakPolarHBondContact O-CB 3.47Å; G85-A89 PolarHBondContact O-N 3.42Å; S86-A89 PolarHBondContact O-N 2.66Å; L87-A89 VanDerWaalsContact C-N 3.28Å; L87-A89 PolarHBondContact O-N 2.89Å; A89-Q91 PolarHBondContact O-N 3.48Å; A89-G92 WeakPolarHBondContact O-CA 3.45Å; A89-G92 PolarHBondContact O-N 3.37Å; A89-I94 WeakPolarHBondContact CA-O 3.43Å; A89-I94 WeakPolarHBondContact CB-O 3.36Å |
| 90 | A | 97.8 | Very high | 97.4 | Very high | 25 Ų | 25 | 35.3 Ų | 35.3 | 21% | 0.207 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.2 | -24.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S86 L87 G92 L102 T212 | S86-A90 WeakPolarHBondContact O-CB 3.5Å; S86-A90 PolarHBondContact O-N 3.19Å; L87-A90 PolarHBondContact O-N 3.43Å; A90-G92 VanDerWaalsContact C-N 3.26Å; A90-L102 PolarHBondContact N-O 3.2Å; A90-T212 HydrophobicContact CB-CG2 3.87Å; A90-T212 WeakPolarHBondContact O-CG2 3.36Å; A90-T212 PolarHBondContact O-OG1 3.47Å |
| 91 | Q | 96.5 | Very high | 97.3 | Very high | 37 Ų | 37 | 31.9 Ų | 31.9 | 17% | 0.173 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -2 | 170 | -65.3 | -67.4 | -17.7 | 0 | 0 | 112.8 | I29 L87 I88 A89 Y93 P120 | I29-Q91 HydrophobicContact CD1-CG 4.24Å; L87-Q91 VanDerWaalsContact O-CG 3.25Å; L87-Q91 WeakPolarHBondContact O-CG 3.22Å; L87-Q91 PolarHBondContact O-N 2.9Å; I88-Q91 PolarHBondContact O-N 3.31Å; A89-Q91 PolarHBondContact O-N 3.48Å; Q91-Y93 HydrophobicContact CB-CD2 3.78Å; Q91-Y93 HydrophobicContact CB-CE2 3.9Å; Q91-P120 WeakPolarHBondContact O-CG 3.25Å |
| 92 | G | 97.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 12.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | I88 A89 A90 Q114 V202 | I88-G92 PolarHBondContact O-N 3.21Å; A89-G92 WeakPolarHBondContact O-CA 3.45Å; A89-G92 PolarHBondContact O-N 3.37Å; A90-G92 VanDerWaalsContact C-N 3.26Å; G92-Q114 WeakPolarHBondContact O-CB 3.45Å; G92-Q114 WeakPolarHBondContact O-CG 3.47Å; G92-V202 VanDerWaalsContact CA-CG2 3.45Å |
| 93 | Y | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -80.3 | -28.4 | 177.9 | -70.3 | -80.9 | 0 | 0 | 0 | 113.1 | Y26 I29 E30 I33 I88 Q91 Q114 W119 P120 | Y26-Y93 WeakPolarHBondContact CB-OH 3.27Å; I29-Y93 HydrophobicContact CB-CD2 4.32Å; I29-Y93 HydrophobicContact CB-CE2 4.03Å; I29-Y93 HydrophobicContact CD1-CE2 4.21Å; I29-Y93 HydrophobicContact CG2-CD1 4.31Å; I29-Y93 HydrophobicContact CG2-CD2 3.35Å; I29-Y93 HydrophobicContact CG2-CE1 4.5Å; I29-Y93 HydrophobicContact CG2-CE2 3.56Å; I29-Y93 HydrophobicContact CG2-CG 3.74Å; E30-Y93 HydrophobicContact CG-CD1 4.25Å; E30-Y93 HydrophobicContact CG-CE1 3.32Å; E30-Y93 PolarHBondContact OE1-OH 3.4Å; I33-Y93 HydrophobicContact CG1-CD1 4.19Å; I33-Y93 HydrophobicContact CG1-CG 4.17Å; I88-Y93 PolarHBondContact O-N 3.01Å; Q91-Y93 HydrophobicContact CB-CD2 3.78Å; Q91-Y93 HydrophobicContact CB-CE2 3.9Å; Y93-Q114 WeakPolarHBondContact O-CB 3.11Å; Y93-Q114 PolarHBondContact O-N 2.96Å; Y93-W119 AromaticContact CD1-CD1 3.71Å; Y93-W119 AromaticContact CD1-CD2 3.94Å; Y93-W119 HydrophobicContact CD1-CD2 3.94Å; Y93-W119 AromaticContact CD1-CE2 3.83Å; Y93-W119 AromaticContact CD1-CG 3.86Å; Y93-W119 HydrophobicContact CD1-CG 3.86Å; Y93-W119 HydrophobicContact CD1-CZ2 4.49Å; Y93-W119 AromaticContact CD1-NE1 3.71Å; Y93-W119 HydrophobicContact CE1-CB 3.87Å; Y93-W119 AromaticContact CE1-CD1 3.85Å; Y93-W119 AromaticContact CE1-CD2 3.61Å; Y93-W119 HydrophobicContact CE1-CD2 3.61Å; Y93-W119 AromaticContact CE1-CE2 3.99Å; Y93-W119 HydrophobicContact CE1-CE3 4.12Å; Y93-W119 AromaticContact CE1-CG 3.51Å; Y93-W119 HydrophobicContact CE1-CG 3.51Å; Y93-P120 HydrophobicContact CE2-CG 4.16Å |
| 94 | I | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 142 | 175.9 | -56.7 | 176.4 | 0 | 0 | 0 | 107.2 | I33 M36 I65 I88 A89 M104 Y111 R112 F113 | I33-I94 HydrophobicContact CD1-CD1 3.65Å; I33-I94 HydrophobicContact CD1-CG1 3.6Å; M36-I94 HydrophobicContact SD-CD1 3.96Å; I65-I94 HydrophobicContact CD1-CD1 4.41Å; I65-I94 HydrophobicContact CD1-CG2 4.05Å; I65-I94 HydrophobicContact CG2-CD1 4.47Å; I88-I94 HydrophobicContact CG2-CD1 4.03Å; I88-I94 HydrophobicContact CG2-CG1 4.14Å; A89-I94 WeakPolarHBondContact CA-O 3.43Å; A89-I94 WeakPolarHBondContact CB-O 3.36Å; I94-M104 HydrophobicContact CG2-CE 4.36Å; I94-Y111 HydrophobicContact CG2-CD1 3.92Å; I94-Y111 HydrophobicContact CG2-CG 4.13Å; I94-R112 CarbonylContact C-O 3.57Å; I94-R112 VanDerWaalsContact CA-O 3.29Å; I94-R112 WeakPolarHBondContact CA-O 3.44Å; I94-F113 HydrophobicContact CD1-CD1 4.14Å; I94-F113 HydrophobicContact CD1-CE1 3.75Å; I94-F113 HydrophobicContact CG1-CD1 3.77Å; I94-F113 HydrophobicContact CG1-CE1 3.94Å |
| 95 | F | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 143.6 | -179.5 | 58.1 | -89.6 | 0 | 0 | 0 | 112.6 | L102 Y111 R112 Q114 S194 Q195 A198 | F95-L102 HydrophobicContact CB-CD2 3.75Å; F95-Y111 CarbonylContact O-C 3.6Å; F95-Y111 VanDerWaalsContact O-CA 3.27Å; F95-Y111 WeakPolarHBondContact O-CA 3.19Å; F95-R112 HydrophobicContact CD1-CB 4.5Å; F95-R112 WeakPolarHBondContact CD1-O 3.45Å; F95-R112 HydrophobicContact CD2-CB 4.38Å; F95-R112 HydrophobicContact CE1-CB 3.94Å; F95-R112 HydrophobicContact CE2-CB 3.81Å; F95-R112 HydrophobicContact CE2-CG 4.41Å; F95-R112 HydrophobicContact CZ-CB 3.57Å; F95-R112 HydrophobicContact CZ-CG 4.41Å; F95-R112 PolarHBondContact N-O 3.45Å; F95-R112 PolarHBondContact O-N 3.27Å; F95-Q114 HydrophobicContact CD1-CB 4.27Å; F95-Q114 HydrophobicContact CE1-CB 4.18Å; F95-S194 WeakPolarHBondContact CE2-O 3.44Å; F95-Q195 HydrophobicContact CE1-CG 4.18Å; F95-Q195 HydrophobicContact CZ-CB 4.46Å; F95-Q195 HydrophobicContact CZ-CG 3.85Å; F95-A198 HydrophobicContact CB-CB 3.62Å; F95-A198 HydrophobicContact CD1-CB 3.38Å; F95-A198 HydrophobicContact CD2-CB 3.58Å; F95-A198 HydrophobicContact CE1-CB 3.83Å; F95-A198 HydrophobicContact CE2-CB 4Å; F95-A198 HydrophobicContact CG-CB 3.23Å; F95-A198 HydrophobicContact CZ-CB 4.12Å |
| 96 | P | 97.7 | Very high | 97.1 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 137.7 | 173.8 | 27.5 | -31.5 | 0 | 0 | 0 | 109.8 | S98 D99 V101 T109 Y111 R197 | P96-S98 VanDerWaalsContact C-N 3.31Å; P96-S98 PolarHBondContact O-N 2.79Å; P96-D99 HydrophobicContact CB-CB 4.23Å; P96-D99 HydrophobicContact CG-CB 4.02Å; P96-V101 WeakPolarHBondContact CG-O 3.49Å; P96-T109 HydrophobicContact CB-CG2 4.43Å; P96-Y111 HydrophobicContact CB-CD1 4.08Å; P96-Y111 HydrophobicContact CB-CE1 3.74Å; P96-Y111 HydrophobicContact CG-CE1 4.19Å; P96-R197 PolarHBondContact O-NH2 3.39Å |
| 97 | I | 94.5 | Very high | 97 | Very high | 37 Ų | 37 | 34.7 Ų | 34.7 | 19% | 0.19 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -74.6 | -23.3 | -174.6 | 65.4 | 175 | 0 | 0 | 0 | 113.5 | I56 V59 F110 R112 R197 | I56-I97 HydrophobicContact CD1-CD1 4.08Å; I56-I97 HydrophobicContact CG2-CD1 3.76Å; V59-I97 HydrophobicContact CG1-CD1 4.21Å; V59-I97 HydrophobicContact CG1-CG2 4.15Å; I97-F110 HydrophobicContact CD1-CB 3.52Å; I97-F110 HydrophobicContact CD1-CD2 4.24Å; I97-F110 HydrophobicContact CD1-CG 4.28Å; I97-F110 HydrophobicContact CG1-CB 3.88Å; I97-F110 PolarHBondContact N-O 3.07Å; I97-R112 HydrophobicContact CG2-CB 4.4Å; I97-R112 HydrophobicContact CG2-CG 3.58Å; I97-R197 PolarHBondContact O-NH2 3.04Å; I97-R197 VanDerWaalsContact O-NH2 3.08Å |
| 98 | S | 90.7 | Very high | 96.9 | Very high | 103 Ų | 103 | 33.2 Ų | 33.2 | 72% | 0.72 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -113.1 | 1.8 | -169.6 | 53.6 | 0 | 0 | 0 | 0 | 114.4 | P96 | P96-S98 VanDerWaalsContact C-N 3.31Å; P96-S98 PolarHBondContact O-N 2.79Å |
| 99 | D | 94.1 | Very high | 96.9 | Very high | 56 Ų | 56 | 34.6 Ų | 34.6 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | trans | -136 | 147.4 | -175.3 | -157.7 | -23.8 | 0 | 0 | 0 | 110.1 | P96 V101 R197 | P96-D99 HydrophobicContact CB-CB 4.23Å; P96-D99 HydrophobicContact CG-CB 4.02Å; D99-V101 PolarHBondContact OD1-N 3.13Å; D99-R197 PolarHBondContact O-NH1 3.19Å; D99-R197 PolarHBondContact O-NH2 3.13Å | ||
| 100 | H | 96.3 | Very high | 96.8 | Very high | 39 Ų | 39 | 37.4 Ų | 37.4 | 18% | 0.181 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -85.7 | -18.7 | 172.9 | -77.5 | -86.8 | 0 | 0 | 0 | 112 | L102 Y151 E152 D201 V206 | H100-L102 PolarHBondContact O-N 3.19Å; H100-Y151 PolarHBondContact ND1-OH 3.39Å; H100-E152 IonicContact CE1-OE1 3.75Å; H100-E152 IonicContact CE1-OE2 3.62Å; H100-E152 IonicContact NE2-OE2 2.67Å; H100-D201 IonicContact CE1-OD1 2.67Å; H100-D201 IonicContact CG-OD1 2.97Å; H100-D201 IonicContact ND1-OD1 3.61Å; H100-D201 PolarHBondContact ND1-OD1 3.48Å; H100-D201 IonicContact ND1-OD2 2.64Å; H100-V206 HydrophobicContact CB-CG2 3.57Å |
| 101 | V | 97.7 | Very high | 96.9 | Very high | 42 Ų | 42 | 36.3 Ų | 36.3 | 26% | 0.255 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -80.8 | 114.2 | 176.4 | -179.2 | 0 | 0 | 0 | 0 | 109.9 | P96 D99 T103 V206 | P96-V101 WeakPolarHBondContact CG-O 3.49Å; D99-V101 PolarHBondContact OD1-N 3.13Å; V101-T103 VanDerWaalsContact C-N 3.34Å; V101-T103 HydrophobicContact CG1-CG2 3.8Å; V101-T103 PolarHBondContact O-N 2.86Å; V101-V206 HydrophobicContact CG2-CB 4.48Å; V101-V206 HydrophobicContact CG2-CG2 4.23Å |
| 102 | L | 98 | Very high | 96.9 | Very high | 14 Ų | 14 | 35.4 Ų | 35.4 | 7% | 0.073 | 21% | 0.205 | C | C | . | . | trans | -80.8 | 74.9 | -176 | -59.9 | -177.6 | 0 | 0 | 0 | 112.1 | A90 F95 H100 D201 V202 | A90-L102 PolarHBondContact N-O 3.2Å; F95-L102 HydrophobicContact CB-CD2 3.75Å; H100-L102 PolarHBondContact O-N 3.19Å; L102-D201 HydrophobicContact CD1-CB 3.88Å; L102-D201 HydrophobicContact CD2-CB 4.01Å; L102-D201 HydrophobicContact CG-CB 3.91Å; L102-V202 HydrophobicContact CD1-CB 4.45Å; L102-V202 HydrophobicContact CD1-CG2 3.47Å; L102-V202 VanDerWaalsContact CD1-CG2 3.47Å | ||
| 103 | T | 97.5 | Very high | 97 | Very high | 53 Ų | 53 | 36.3 Ų | 36.3 | 33% | 0.325 | 21% | 0.209 | S | C | . | . | trans | -130.8 | 152.3 | 179 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | V101 Y111 | V101-T103 VanDerWaalsContact C-N 3.34Å; V101-T103 HydrophobicContact CG1-CG2 3.8Å; V101-T103 PolarHBondContact O-N 2.86Å; T103-Y111 VanDerWaalsContact O-CE1 3.29Å; T103-Y111 WeakPolarHBondContact O-CE1 3.33Å; T103-Y111 PolarHBondContact O-OH 2.96Å | ||
| 104 | M | 97.6 | Very high | 96.9 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.039 | 21% | 0.209 | C | C | . | . | trans | -89.8 | 139.4 | 175 | -163.9 | 67.1 | 65.1 | 0 | 0 | 110.9 | I65 V66 S86 I94 Y111 | I65-M104 HydrophobicContact CB-CE 4.41Å; I65-M104 HydrophobicContact CB-SD 4.3Å; I65-M104 HydrophobicContact CD1-CE 3.94Å; I65-M104 HydrophobicContact CD1-SD 3.93Å; I65-M104 HydrophobicContact CG2-CE 3.79Å; I65-M104 HydrophobicContact CG2-SD 4.27Å; V66-M104 HydrophobicContact CG2-CG 4.08Å; S86-M104 WeakPolarHBondContact OG-CB 3.5Å; S86-M104 PolarHBondContact OG-N 3.08Å; I94-M104 HydrophobicContact CG2-CE 4.36Å; M104-Y111 VanDerWaalsContact CA-OH 3.32Å; M104-Y111 WeakPolarHBondContact CA-OH 3.26Å; M104-Y111 HydrophobicContact SD-CD1 4.25Å; M104-Y111 HydrophobicContact SD-CD2 4.14Å; M104-Y111 HydrophobicContact SD-CE1 3.95Å; M104-Y111 HydrophobicContact SD-CE2 3.83Å; M104-Y111 HydrophobicContact SD-CG 4.36Å | ||
| 105 | K | 97.4 | Very high | 96.8 | Very high | 89 Ų | 89 | 37.6 Ų | 37.6 | 39% | 0.387 | 22% | 0.219 | S | C | . | . | trans | -122.9 | 134.1 | 171.5 | -63.3 | 179 | -177.2 | 172.6 | 0 | 108.3 | G62 D107 Y111 | G62-K105 CarbonylContact C-O 3.28Å; G62-K105 VanDerWaalsContact CA-O 3.24Å; G62-K105 WeakPolarHBondContact CA-O 3.34Å; K105-D107 PolarHBondContact O-N 2.8Å; K105-Y111 PolarHBondContact N-OH 3.08Å | ||
| 106 | D | 97.4 | Very high | 96.7 | Very high | 65 Ų | 65 | 41.4 Ų | 41.4 | 35% | 0.348 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -82.7 | 69 | 172.8 | -173.8 | 13.8 | 0 | 0 | 0 | 110.3 | T63 V66 I82 | T63-D106 VanDerWaalsContact CA-OD1 3.22Å; T63-D106 WeakPolarHBondContact CA-OD1 3.28Å; T63-D106 WeakPolarHBondContact CB-OD1 3.35Å; T63-D106 PolarHBondContact OG1-OD1 3.22Å; V66-D106 HydrophobicContact CG1-CB 4.47Å; V66-D106 HydrophobicContact CG2-CB 4.15Å; I82-D106 HydrophobicContact CD1-CB 3.69Å; I82-D106 HydrophobicContact CG1-CB 3.98Å |
| 107 | D | 97.1 | Very high | 96.5 | Very high | 66 Ų | 66 | 47.1 Ų | 47.1 | 35% | 0.353 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -151.6 | -168.4 | 177.5 | 64.8 | 19.8 | 0 | 0 | 0 | 111.2 | G62 T63 K105 T109 | G62-D107 PolarHBondContact N-O 3.49Å; T63-D107 PolarHBondContact N-O 3.42Å; T63-D107 VanDerWaalsContact N-O 3.1Å; T63-D107 WeakPolarHBondContact OG1-CA 3.42Å; T63-D107 PolarHBondContact OG1-N 3.15Å; T63-D107 PolarHBondContact OG1-O 2.7Å; K105-D107 PolarHBondContact O-N 2.8Å; D107-T109 PolarHBondContact O-N 2.97Å; D107-T109 VanDerWaalsContact O-N 3.13Å; D107-T109 WeakPolarHBondContact OD1-CA 3.38Å; D107-T109 WeakPolarHBondContact OD1-CB 3.46Å; D107-T109 PolarHBondContact OD1-N 3.42Å; D107-T109 PolarHBondContact OD1-OG1 3.5Å; D107-T109 PolarHBondContact OD2-OG1 2.99Å |
| 108 | G | 96.3 | Very high | 96.5 | Very high | 55 Ų | 55 | 46.6 Ų | 46.6 | 57% | 0.567 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -71.8 | 8.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | F110 | G108-F110 PolarHBondContact O-N 3.33Š|
| 109 | T | 97.2 | Very high | 96.7 | Very high | 30 Ų | 30 | 43 Ų | 43 | 18% | 0.184 | 23% | 0.233 | C | C | . | . | trans | -59.3 | 136 | 176.3 | -63.2 | 0 | 0 | 0 | 0 | 110.1 | T61 G62 P96 D107 Y111 | T61-T109 CarbonylContact C-O 3.44Å; T61-T109 WeakPolarHBondContact CA-O 3.43Å; G62-T109 PolarHBondContact N-O 3.45Å; P96-T109 HydrophobicContact CB-CG2 4.43Å; D107-T109 PolarHBondContact O-N 2.97Å; D107-T109 VanDerWaalsContact O-N 3.13Å; D107-T109 WeakPolarHBondContact OD1-CA 3.38Å; D107-T109 WeakPolarHBondContact OD1-CB 3.46Å; D107-T109 PolarHBondContact OD1-N 3.42Å; D107-T109 PolarHBondContact OD1-OG1 3.5Å; D107-T109 PolarHBondContact OD2-OG1 2.99Å; T109-Y111 HydrophobicContact CG2-CD2 4.36Å; T109-Y111 HydrophobicContact CG2-CE2 3.66Å; T109-Y111 WeakPolarHBondContact O-CD2 3.28Å | ||
| 110 | F | 97.6 | Very high | 96.5 | Very high | 59 Ų | 59 | 41 Ų | 41 | 26% | 0.259 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 131.6 | -178.4 | -65.7 | -55.4 | 0 | 0 | 0 | 112.4 | V49 V59 V60 T61 I97 G108 | V49-F110 HydrophobicContact CB-CZ 4.32Å; V49-F110 HydrophobicContact CG1-CE2 4.42Å; V49-F110 HydrophobicContact CG1-CZ 4.03Å; V49-F110 HydrophobicContact CG2-CE1 3.75Å; V49-F110 HydrophobicContact CG2-CZ 3.79Å; V59-F110 HydrophobicContact CB-CB 4.16Å; V59-F110 HydrophobicContact CB-CD1 4.18Å; V59-F110 HydrophobicContact CB-CG 4.38Å; V59-F110 HydrophobicContact CG1-CB 4.24Å; V59-F110 HydrophobicContact CG2-CD1 3.86Å; V59-F110 HydrophobicContact CG2-CE1 4.35Å; V59-F110 HydrophobicContact CG2-CG 4.26Å; V60-F110 WeakPolarHBondContact O-CA 3.46Å; T61-F110 HydrophobicContact CG2-CD1 4.17Å; T61-F110 HydrophobicContact CG2-CE1 3.93Å; I97-F110 HydrophobicContact CD1-CB 3.52Å; I97-F110 HydrophobicContact CD1-CD2 4.24Å; I97-F110 HydrophobicContact CD1-CG 4.28Å; I97-F110 HydrophobicContact CG1-CB 3.88Å; I97-F110 PolarHBondContact N-O 3.07Å; G108-F110 PolarHBondContact O-N 3.33Å |
| 111 | Y | 98.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 161.5 | 177.4 | -66.4 | -94.4 | 0 | 0 | 0 | 111.5 | V59 V60 I65 I94 F95 P96 T103 M104 K105 T109 | V59-Y111 VanDerWaalsContact CA-O 3.32Å; V59-Y111 WeakPolarHBondContact CA-O 3.26Å; V60-Y111 PolarHBondContact N-O 3.25Å; V60-Y111 PolarHBondContact O-N 3.08Å; I65-Y111 HydrophobicContact CD1-CD2 4.23Å; I65-Y111 HydrophobicContact CD1-CG 4.11Å; I94-Y111 HydrophobicContact CG2-CD1 3.92Å; I94-Y111 HydrophobicContact CG2-CG 4.13Å; F95-Y111 CarbonylContact O-C 3.6Å; F95-Y111 VanDerWaalsContact O-CA 3.27Å; F95-Y111 WeakPolarHBondContact O-CA 3.19Å; P96-Y111 HydrophobicContact CB-CD1 4.08Å; P96-Y111 HydrophobicContact CB-CE1 3.74Å; P96-Y111 HydrophobicContact CG-CE1 4.19Å; T103-Y111 VanDerWaalsContact O-CE1 3.29Å; T103-Y111 WeakPolarHBondContact O-CE1 3.33Å; T103-Y111 PolarHBondContact O-OH 2.96Å; M104-Y111 VanDerWaalsContact CA-OH 3.32Å; M104-Y111 WeakPolarHBondContact CA-OH 3.26Å; M104-Y111 HydrophobicContact SD-CD1 4.25Å; M104-Y111 HydrophobicContact SD-CD2 4.14Å; M104-Y111 HydrophobicContact SD-CE1 3.95Å; M104-Y111 HydrophobicContact SD-CE2 3.83Å; M104-Y111 HydrophobicContact SD-CG 4.36Å; K105-Y111 PolarHBondContact N-OH 3.08Å; T109-Y111 HydrophobicContact CG2-CD2 4.36Å; T109-Y111 HydrophobicContact CG2-CE2 3.66Å; T109-Y111 WeakPolarHBondContact O-CD2 3.28Å |
| 112 | R | 97.9 | Very high | 95.6 | Very high | 17 Ų | 17 | 40.6 Ų | 40.6 | 6% | 0.064 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 147.2 | 171.1 | -75 | 177 | -171.7 | -77.9 | -9.1 | 110.5 | P57 S58 V59 I94 F95 I97 | P57-R112 PolarHBondContact O-NH1 3.39Å; P57-R112 PolarHBondContact O-NH2 2.91Å; S58-R112 WeakPolarHBondContact O-CG 3.25Å; S58-R112 PolarHBondContact O-NH1 3.47Å; V59-R112 HydrophobicContact CG1-CG 4.2Å; I94-R112 CarbonylContact C-O 3.57Å; I94-R112 VanDerWaalsContact CA-O 3.29Å; I94-R112 WeakPolarHBondContact CA-O 3.44Å; F95-R112 HydrophobicContact CD1-CB 4.5Å; F95-R112 WeakPolarHBondContact CD1-O 3.45Å; F95-R112 HydrophobicContact CD2-CB 4.38Å; F95-R112 HydrophobicContact CE1-CB 3.94Å; F95-R112 HydrophobicContact CE2-CB 3.81Å; F95-R112 HydrophobicContact CE2-CG 4.41Å; F95-R112 HydrophobicContact CZ-CB 3.57Å; F95-R112 HydrophobicContact CZ-CG 4.41Å; F95-R112 PolarHBondContact N-O 3.45Å; F95-R112 PolarHBondContact O-N 3.27Å; I97-R112 HydrophobicContact CG2-CB 4.4Å; I97-R112 HydrophobicContact CG2-CG 3.58Å |
| 113 | F | 98.1 | Very high | 94.7 | Very high | 22 Ų | 22 | 42.2 Ų | 42.2 | 10% | 0.096 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 138.8 | 165.1 | -63.5 | -72.6 | 0 | 0 | 0 | 110.6 | I33 M36 Q37 V44 I46 V60 I94 | I33-F113 HydrophobicContact CD1-CD1 4.29Å; I33-F113 HydrophobicContact CD1-CE1 4.31Å; I33-F113 HydrophobicContact CG2-CD1 4.36Å; M36-F113 HydrophobicContact CB-CE1 3.97Å; M36-F113 HydrophobicContact CB-CZ 3.93Å; M36-F113 HydrophobicContact SD-CE1 4.16Å; Q37-F113 HydrophobicContact CG-CD1 4Å; Q37-F113 HydrophobicContact CG-CD2 3.62Å; Q37-F113 HydrophobicContact CG-CE1 4.06Å; Q37-F113 HydrophobicContact CG-CE2 3.68Å; Q37-F113 HydrophobicContact CG-CG 3.8Å; Q37-F113 HydrophobicContact CG-CZ 3.91Å; V44-F113 HydrophobicContact CB-CZ 4.47Å; I46-F113 HydrophobicContact CD1-CD2 4.13Å; I46-F113 HydrophobicContact CD1-CE2 4.04Å; I46-F113 HydrophobicContact CG1-CE2 4.12Å; V60-F113 HydrophobicContact CG1-CE2 3.96Å; V60-F113 HydrophobicContact CG2-CE2 4.38Å; I94-F113 HydrophobicContact CD1-CD1 4.14Å; I94-F113 HydrophobicContact CD1-CE1 3.75Å; I94-F113 HydrophobicContact CG1-CD1 3.77Å; I94-F113 HydrophobicContact CG1-CE1 3.94Å |
| 114 | Q | 98 | Very high | 93.9 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.019 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -78.5 | 143.6 | 175.1 | -177.8 | 61.7 | -79.5 | 0 | 0 | 111.4 | G92 Y93 F95 F118 W119 Q195 | G92-Q114 WeakPolarHBondContact O-CB 3.45Å; G92-Q114 WeakPolarHBondContact O-CG 3.47Å; Y93-Q114 WeakPolarHBondContact O-CB 3.11Å; Y93-Q114 PolarHBondContact O-N 2.96Å; F95-Q114 HydrophobicContact CD1-CB 4.27Å; F95-Q114 HydrophobicContact CE1-CB 4.18Å; Q114-F118 HydrophobicContact CG-CB 3.72Å; Q114-W119 PolarHBondContact O-NE1 3.49Å; Q114-W119 VanDerWaalsContact O-NE1 3.13Å; Q114-Q195 PolarHBondContact NE2-O 3.36Å; Q114-Q195 VanDerWaalsContact OE1-CB 3.29Å |
| 115 | A | 96.2 | Very high | 93.2 | Very high | 24 Ų | 24 | 46.5 Ų | 46.5 | 20% | 0.198 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 138.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y117 F118 | A115-Y117 PolarHBondContact O-N 2.66Å; A115-F118 HydrophobicContact CB-CD2 4.29Å; A115-F118 PolarHBondContact O-N 3.1Å |
| 116 | P | 95.3 | Very high | 92.8 | Very high | 81 Ų | 81 | 42.8 Ų | 42.8 | 53% | 0.526 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -54 | -26.7 | 179.6 | -29.3 | 35.5 | 0 | 0 | 0 | 115.4 | F118 W119 N122 | P116-F118 VanDerWaalsContact C-N 3.26Å; P116-F118 PolarHBondContact O-N 3.24Å; P116-W119 HydrophobicContact CB-CD2 4.05Å; P116-W119 HydrophobicContact CB-CE3 4.16Å; P116-W119 HydrophobicContact CB-CH2 4.44Å; P116-W119 HydrophobicContact CB-CZ2 4.29Å; P116-W119 HydrophobicContact CB-CZ3 4.36Å; P116-W119 HydrophobicContact CG-CH2 4.21Å; P116-W119 HydrophobicContact CG-CZ2 3.91Å; P116-W119 WeakPolarHBondContact O-CB 3.47Å; P116-W119 PolarHBondContact O-N 3.03Å; P116-N122 PolarHBondContact O-ND2 3.24Å |
| 117 | Y | 93.1 | Very high | 92.5 | Very high | 123 Ų | 123 | 44 Ų | 44 | 48% | 0.482 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -56.1 | -39.7 | 172.7 | 175.9 | -101.2 | 0 | 0 | 0 | 112.8 | A115 W119 N122 W124 | A115-Y117 PolarHBondContact O-N 2.66Å; Y117-W119 VanDerWaalsContact C-N 3.35Å; Y117-N122 PolarHBondContact O-ND2 3.48Å; Y117-W124 HydrophobicContact CD1-CZ2 4.29Å; Y117-W124 HydrophobicContact CD2-CZ2 4.31Å; Y117-W124 HydrophobicContact CE1-CH2 4.06Å; Y117-W124 AromaticContact CE1-CZ2 3.87Å; Y117-W124 HydrophobicContact CE1-CZ2 3.87Å; Y117-W124 AromaticContact CE2-CH2 3.98Å; Y117-W124 HydrophobicContact CE2-CH2 3.98Å; Y117-W124 AromaticContact CE2-CZ2 3.9Å; Y117-W124 HydrophobicContact CE2-CZ2 3.9Å; Y117-W124 HydrophobicContact CG-CZ2 4.5Å; Y117-W124 AromaticContact CZ-CH2 3.55Å; Y117-W124 AromaticContact CZ-CZ2 3.67Å; Y117-W124 WeakPolarHBondContact O-CZ2 3.46Å; Y117-W124 PolarHBondContact O-NE1 2.83Å; Y117-W124 WeakPolarHBondContact OH-CH2 3.39Å |
| 118 | F | 95.6 | Very high | 92.4 | Very high | 27 Ų | 27 | 44.8 Ų | 44.8 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -89.6 | 5.2 | -178.4 | -67.3 | -58.3 | 0 | 0 | 0 | 113.7 | Q114 A115 P116 Q195 E196 F199 | Q114-F118 HydrophobicContact CG-CB 3.72Å; A115-F118 HydrophobicContact CB-CD2 4.29Å; A115-F118 PolarHBondContact O-N 3.1Å; P116-F118 VanDerWaalsContact C-N 3.26Å; P116-F118 PolarHBondContact O-N 3.24Å; F118-Q195 HydrophobicContact CD2-CB 4.24Å; F118-Q195 HydrophobicContact CE2-CB 4.11Å; F118-E196 HydrophobicContact CZ-CB 4.47Å; F118-F199 HydrophobicContact CB-CB 4.31Å; F118-F199 HydrophobicContact CB-CD2 4.05Å; F118-F199 HydrophobicContact CD1-CB 3.78Å; F118-F199 HydrophobicContact CD1-CD1 4.46Å; F118-F199 AromaticContact CD1-CD2 3.48Å; F118-F199 HydrophobicContact CD1-CD2 3.48Å; F118-F199 VanDerWaalsContact CD1-CD2 3.48Å; F118-F199 HydrophobicContact CD1-CE2 4.16Å; F118-F199 AromaticContact CD1-CG 3.65Å; F118-F199 HydrophobicContact CD1-CG 3.65Å; F118-F199 HydrophobicContact CE1-CB 4.25Å; F118-F199 HydrophobicContact CE1-CD2 4.32Å; F118-F199 HydrophobicContact CE1-CG 4.13Å; F118-F199 HydrophobicContact CG-CB 4.06Å; F118-F199 HydrophobicContact CG-CD2 4.14Å; F118-F199 HydrophobicContact CG-CG 4.34Å |
| 119 | W | 94.4 | Very high | 92.4 | Very high | 27 Ų | 27 | 44.4 Ų | 44.4 | 10% | 0.102 | 23% | 0.229 | C | C | . | . | trans | -67.1 | 141.8 | -179.7 | -70.6 | -1.7 | 0 | 0 | 0 | 112.3 | E30 I33 Y93 Q114 P116 Y117 S121 N122 | E30-W119 HydrophobicContact CB-CE3 4.31Å; E30-W119 HydrophobicContact CB-CH2 4.3Å; E30-W119 HydrophobicContact CB-CZ3 3.81Å; E30-W119 HydrophobicContact CG-CD2 4.12Å; E30-W119 HydrophobicContact CG-CE3 3.43Å; E30-W119 VanDerWaalsContact CG-CE3 3.43Å; E30-W119 HydrophobicContact CG-CH2 4.13Å; E30-W119 HydrophobicContact CG-CZ3 3.44Å; E30-W119 VanDerWaalsContact CG-CZ3 3.44Å; I33-W119 HydrophobicContact CG2-CH2 4.38Å; I33-W119 HydrophobicContact CG2-CZ2 3.81Å; Y93-W119 AromaticContact CD1-CD1 3.71Å; Y93-W119 AromaticContact CD1-CD2 3.94Å; Y93-W119 HydrophobicContact CD1-CD2 3.94Å; Y93-W119 AromaticContact CD1-CE2 3.83Å; Y93-W119 AromaticContact CD1-CG 3.86Å; Y93-W119 HydrophobicContact CD1-CG 3.86Å; Y93-W119 HydrophobicContact CD1-CZ2 4.49Å; Y93-W119 AromaticContact CD1-NE1 3.71Å; Y93-W119 HydrophobicContact CE1-CB 3.87Å; Y93-W119 AromaticContact CE1-CD1 3.85Å; Y93-W119 AromaticContact CE1-CD2 3.61Å; Y93-W119 HydrophobicContact CE1-CD2 3.61Å; Y93-W119 AromaticContact CE1-CE2 3.99Å; Y93-W119 HydrophobicContact CE1-CE3 4.12Å; Y93-W119 AromaticContact CE1-CG 3.51Å; Y93-W119 HydrophobicContact CE1-CG 3.51Å; Q114-W119 PolarHBondContact O-NE1 3.49Å; Q114-W119 VanDerWaalsContact O-NE1 3.13Å; P116-W119 HydrophobicContact CB-CD2 4.05Å; P116-W119 HydrophobicContact CB-CE3 4.16Å; P116-W119 HydrophobicContact CB-CH2 4.44Å; P116-W119 HydrophobicContact CB-CZ2 4.29Å; P116-W119 HydrophobicContact CB-CZ3 4.36Å; P116-W119 HydrophobicContact CG-CH2 4.21Å; P116-W119 HydrophobicContact CG-CZ2 3.91Å; P116-W119 WeakPolarHBondContact O-CB 3.47Å; P116-W119 PolarHBondContact O-N 3.03Å; Y117-W119 VanDerWaalsContact C-N 3.35Å; W119-S121 PolarHBondContact O-N 3.25Å; W119-N122 WeakPolarHBondContact O-CB 3.4Å; W119-N122 PolarHBondContact O-N 2.87Å; W119-N122 VanDerWaalsContact O-N 3.09Å; W119-N122 PolarHBondContact O-ND2 3.26Å | ||
| 120 | P | 90.6 | Very high | 92.3 | Very high | 14 Ų | 14 | 43.3 Ų | 43.3 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -58.9 | -26.1 | 179.2 | -25.1 | 31.9 | 0 | 0 | 0 | 115.1 | Y26 Q91 Y93 N122 C123 | Y26-P120 HydrophobicContact CD1-CB 4.17Å; Y26-P120 HydrophobicContact CD2-CB 4.5Å; Y26-P120 HydrophobicContact CE1-CB 3.87Å; Y26-P120 HydrophobicContact CE2-CB 4.19Å; Q91-P120 WeakPolarHBondContact O-CG 3.25Å; Y93-P120 HydrophobicContact CE2-CG 4.16Å; P120-N122 PolarHBondContact O-N 2.9Å; P120-N122 VanDerWaalsContact O-N 3.16Å; P120-C123 WeakPolarHBondContact O-CA 3.13Å; P120-C123 PolarHBondContact O-N 2.82Å |
| 121 | S | 88.8 | Confident | 92.3 | Very high | 23 Ų | 23 | 40.7 Ų | 40.7 | 16% | 0.161 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -59.5 | -22.6 | 175.2 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | M23 E30 W119 C123 | M23-S121 WeakPolarHBondContact CE-O 3.46Å; E30-S121 WeakPolarHBondContact OE1-CB 3.37Å; E30-S121 PolarHBondContact OE1-OG 2.77Å; W119-S121 PolarHBondContact O-N 3.25Å; S121-C123 PolarHBondContact O-N 3.25Å; S121-C123 VanDerWaalsContact O-N 3.08Å; S121-C123 PolarHBondContact O-SG 3.32Å; S121-C123 VanDerWaalsContact O-SG 3.35Å |
| 122 | N | 86.2 | Confident | 92.3 | Very high | 49 Ų | 49 | 40.6 Ų | 40.6 | 26% | 0.262 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -68.7 | -1.6 | 171 | -69.1 | -53.7 | 0 | 0 | 0 | 113.9 | P116 Y117 W119 P120 | P116-N122 PolarHBondContact O-ND2 3.24Å; Y117-N122 PolarHBondContact O-ND2 3.48Å; W119-N122 WeakPolarHBondContact O-CB 3.4Å; W119-N122 PolarHBondContact O-N 2.87Å; W119-N122 VanDerWaalsContact O-N 3.09Å; W119-N122 PolarHBondContact O-ND2 3.26Å; P120-N122 PolarHBondContact O-N 2.9Å; P120-N122 VanDerWaalsContact O-N 3.16Å |
| 123 | C | 77.9 | Confident | 92.2 | Very high | 49 Ų | 49 | 40 Ų | 40 | 33% | 0.331 | 21% | 0.208 | S | C | . | . | trans | 57.2 | 49.3 | 176.3 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | P120 S121 | P120-C123 WeakPolarHBondContact O-CA 3.13Å; P120-C123 PolarHBondContact O-N 2.82Å; S121-C123 PolarHBondContact O-N 3.25Å; S121-C123 VanDerWaalsContact O-N 3.08Å; S121-C123 PolarHBondContact O-SG 3.32Å; S121-C123 VanDerWaalsContact O-SG 3.35Å | ||
| 124 | W | 81.7 | Confident | 92.2 | Very high | 19 Ų | 19 | 39 Ų | 39 | 7% | 0.072 | 20% | 0.204 | C | C | . | . | trans | -65.2 | 129.8 | 179.3 | -72.1 | 111.1 | 0 | 0 | 0 | 112.2 | Y117 F199 K231 V233 | Y117-W124 HydrophobicContact CD1-CZ2 4.29Å; Y117-W124 HydrophobicContact CD2-CZ2 4.31Å; Y117-W124 HydrophobicContact CE1-CH2 4.06Å; Y117-W124 AromaticContact CE1-CZ2 3.87Å; Y117-W124 HydrophobicContact CE1-CZ2 3.87Å; Y117-W124 AromaticContact CE2-CH2 3.98Å; Y117-W124 HydrophobicContact CE2-CH2 3.98Å; Y117-W124 AromaticContact CE2-CZ2 3.9Å; Y117-W124 HydrophobicContact CE2-CZ2 3.9Å; Y117-W124 HydrophobicContact CG-CZ2 4.5Å; Y117-W124 AromaticContact CZ-CH2 3.55Å; Y117-W124 AromaticContact CZ-CZ2 3.67Å; Y117-W124 WeakPolarHBondContact O-CZ2 3.46Å; Y117-W124 PolarHBondContact O-NE1 2.83Å; Y117-W124 WeakPolarHBondContact OH-CH2 3.39Å; W124-F199 HydrophobicContact CB-CE2 4.03Å; W124-F199 HydrophobicContact CB-CZ 4.31Å; W124-F199 AromaticContact CD1-CE2 3.83Å; W124-F199 AromaticContact CD2-CE2 3.97Å; W124-F199 HydrophobicContact CD2-CE2 3.97Å; W124-F199 HydrophobicContact CD2-CZ 4.27Å; W124-F199 HydrophobicContact CE3-CZ 4.45Å; W124-F199 AromaticContact CG-CE2 3.7Å; W124-F199 HydrophobicContact CG-CE2 3.7Å; W124-F199 HydrophobicContact CG-CZ 4.22Å; W124-K231 HydrophobicContact CE3-CB 3.96Å; W124-K231 HydrophobicContact CH2-CB 4.12Å; W124-K231 HydrophobicContact CZ3-CB 3.53Å; W124-K231 WeakPolarHBondContact CZ3-O 3.2Å; W124-V233 HydrophobicContact CE3-CG2 4.19Å; W124-V233 HydrophobicContact CZ3-CG2 4.02Å | ||
| 125 | E | 82.1 | Confident | 92.2 | Very high | 131 Ų | 131 | 38.9 Ų | 38.9 | 61% | 0.612 | 20% | 0.203 | S | C | * | . | trans | -125.7 | 70.2 | 169 | -69.9 | -172.3 | 171.6 | 0 | 0 | 109.5 | E127 | E125-E127 PolarHBondContact O-N 3.5Š| ||
| 126 | P | 88.7 | Confident | 92.2 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 7% | 0.071 | 20% | 0.195 | C | C | . | . | trans | -69 | 134.2 | -172 | 27.6 | -33.8 | 0 | 0 | 0 | 112 | F199 W200 H203 R204 V233 | P126-F199 HydrophobicContact CB-CE1 4.17Å; P126-F199 HydrophobicContact CB-CZ 4.04Å; P126-F199 HydrophobicContact CG-CE1 4.23Å; P126-F199 HydrophobicContact CG-CZ 3.94Å; P126-W200 HydrophobicContact CB-CH2 3.63Å; P126-W200 HydrophobicContact CB-CZ3 3.79Å; P126-W200 HydrophobicContact CG-CH2 4.36Å; P126-W200 HydrophobicContact CG-CZ3 4.02Å; P126-H203 WeakPolarHBondContact CD-ND1 3.35Å; P126-H203 HydrophobicContact CG-CB 3.65Å; P126-H203 VanDerWaalsContact CG-CG 3.48Å; P126-R204 PolarHBondContact O-NH2 2.91Å; P126-V233 HydrophobicContact CB-CG2 4.14Å | ||
| 127 | E | 92.2 | Very high | 92.2 | Very high | 92 Ų | 92 | 34.2 Ų | 34.2 | 43% | 0.43 | 17% | 0.171 | S | C | . | . | trans | -82.1 | 163.1 | -175.7 | -61.3 | -167.3 | 168.4 | 0 | 0 | 112 | E125 T129 D130 Y131 | E125-E127 PolarHBondContact O-N 3.5Å; E127-T129 PolarHBondContact O-N 3.26Å; E127-D130 PolarHBondContact N-OD2 2.76Å; E127-D130 PolarHBondContact O-N 3.37Å; E127-Y131 PolarHBondContact O-N 3.36Å | ||
| 128 | N | 95.3 | Very high | 92.3 | Very high | 82 Ų | 82 | 28.9 Ų | 28.9 | 44% | 0.439 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -64.5 | -26.2 | 174.7 | -74.3 | -19.1 | 0 | 0 | 0 | 112.7 | A132 L159 F163 R204 | N128-A132 WeakPolarHBondContact O-CB 3.32Å; N128-A132 PolarHBondContact O-N 2.65Å; N128-L159 HydrophobicContact CB-CD2 3.83Å; N128-F163 HydrophobicContact CB-CE2 3.93Å; N128-F163 HydrophobicContact CB-CZ 3.8Å; N128-R204 PolarHBondContact OD1-NH2 3.02Å |
| 129 | T | 95.4 | Very high | 92.3 | Very high | 47 Ų | 47 | 30.5 Ų | 30.5 | 29% | 0.288 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.6 | -45 | 173.4 | -48.1 | 0 | 0 | 0 | 0 | 110.7 | E127 Y131 A132 I133 I170 | E127-T129 PolarHBondContact O-N 3.26Å; T129-Y131 VanDerWaalsContact C-N 3.32Å; T129-Y131 PolarHBondContact O-N 3.22Å; T129-A132 WeakPolarHBondContact O-CB 3.26Å; T129-A132 PolarHBondContact O-N 2.88Å; T129-I133 HydrophobicContact CG2-CD1 4.43Å; T129-I133 WeakPolarHBondContact O-CG1 3.47Å; T129-I133 PolarHBondContact O-N 3.48Å; T129-I170 HydrophobicContact CG2-CD1 4.47Å; T129-I170 HydrophobicContact CG2-CG1 4.27Å |
| 130 | D | 95.3 | Very high | 92.2 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -44.9 | 176.8 | -59.5 | -57 | 0 | 0 | 0 | 110.4 | E127 A132 I133 Y134 W200 S232 V233 Y234 | E127-D130 PolarHBondContact N-OD2 2.76Å; E127-D130 PolarHBondContact O-N 3.37Å; D130-A132 VanDerWaalsContact C-N 3.32Å; D130-A132 PolarHBondContact O-N 3.25Å; D130-I133 WeakPolarHBondContact O-CB 3.26Å; D130-I133 PolarHBondContact O-N 2.85Å; D130-Y134 PolarHBondContact O-N 2.92Å; D130-W200 HydrophobicContact CB-CH2 3.77Å; D130-W200 HydrophobicContact CB-CZ2 3.89Å; D130-S232 PolarHBondContact OD1-OG 3.27Å; D130-V233 HydrophobicContact CB-CB 4.46Å; D130-Y234 HydrophobicContact CB-CD2 3.87Å; D130-Y234 HydrophobicContact CB-CE2 4Å; D130-Y234 WeakPolarHBondContact O-CE2 3.49Å |
| 131 | Y | 97.5 | Very high | 92 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.1 | -36.2 | 178.9 | -169.3 | -137.4 | 0 | 0 | 0 | 112.5 | E127 T129 Y134 L135 N155 L159 W200 R204 | E127-Y131 PolarHBondContact O-N 3.36Å; T129-Y131 VanDerWaalsContact C-N 3.32Å; T129-Y131 PolarHBondContact O-N 3.22Å; Y131-Y134 AromaticContact CD2-CD1 3.91Å; Y131-Y134 HydrophobicContact CD2-CD1 3.91Å; Y131-Y134 AromaticContact CE2-CD1 3.84Å; Y131-Y134 HydrophobicContact CE2-CD1 3.84Å; Y131-Y134 HydrophobicContact CE2-CE1 4.27Å; Y131-Y134 WeakPolarHBondContact O-CB 3.44Å; Y131-Y134 PolarHBondContact O-N 3.22Å; Y131-L135 HydrophobicContact CD1-CD1 4.06Å; Y131-L135 HydrophobicContact CD2-CD1 4.43Å; Y131-L135 HydrophobicContact CD2-CG 4.18Å; Y131-L135 HydrophobicContact CE1-CD1 3.67Å; Y131-L135 HydrophobicContact CE1-CG 4.38Å; Y131-L135 HydrophobicContact CE2-CD1 4.08Å; Y131-L135 HydrophobicContact CE2-CD2 3.92Å; Y131-L135 HydrophobicContact CE2-CG 3.87Å; Y131-L135 HydrophobicContact CG-CD1 4.41Å; Y131-L135 WeakPolarHBondContact O-CG 3.37Å; Y131-L135 PolarHBondContact O-N 2.84Å; Y131-N155 HydrophobicContact CE1-CB 3.94Å; Y131-L159 HydrophobicContact CD1-CD1 3.75Å; Y131-L159 HydrophobicContact CE1-CD1 4.4Å; Y131-L159 HydrophobicContact CG-CD1 4.44Å; Y131-W200 VanDerWaalsContact CA-CH2 3.49Å; Y131-W200 AromaticContact CD2-CD2 3.58Å; Y131-W200 HydrophobicContact CD2-CD2 3.58Å; Y131-W200 AromaticContact CD2-CE3 3.42Å; Y131-W200 HydrophobicContact CD2-CE3 3.42Å; Y131-W200 VanDerWaalsContact CD2-CE3 3.42Å; Y131-W200 HydrophobicContact CD2-CG 4.11Å; Y131-W200 HydrophobicContact CD2-CH2 4.23Å; Y131-W200 HydrophobicContact CD2-CZ2 4.39Å; Y131-W200 AromaticContact CD2-CZ3 3.78Å; Y131-W200 HydrophobicContact CD2-CZ3 3.78Å; Y131-W200 HydrophobicContact CE2-CB 4.29Å; Y131-W200 HydrophobicContact CE2-CD2 4.16Å; Y131-W200 HydrophobicContact CE2-CE3 4.09Å; Y131-W200 HydrophobicContact CE2-CG 4.26Å; Y131-W200 HydrophobicContact CG-CE3 4.04Å; Y131-W200 HydrophobicContact CG-CH2 4.33Å; Y131-W200 AromaticContact CG-CZ3 3.94Å; Y131-W200 HydrophobicContact CG-CZ3 3.94Å; Y131-W200 VanDerWaalsContact N-CH2 3.3Å; Y131-R204 HydrophobicContact CD1-CG 3.79Å; Y131-R204 HydrophobicContact CD2-CG 4.02Å; Y131-R204 HydrophobicContact CE1-CB 4.02Å; Y131-R204 HydrophobicContact CE1-CG 3.8Å; Y131-R204 HydrophobicContact CE2-CB 4.04Å; Y131-R204 HydrophobicContact CE2-CG 4.03Å; Y131-R204 HydrophobicContact CG-CG 3.92Å |
| 132 | A | 97.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.9 | -41 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | N128 T129 D130 C136 L159 F163 W167 I170 | N128-A132 WeakPolarHBondContact O-CB 3.32Å; N128-A132 PolarHBondContact O-N 2.65Å; T129-A132 WeakPolarHBondContact O-CB 3.26Å; T129-A132 PolarHBondContact O-N 2.88Å; D130-A132 VanDerWaalsContact C-N 3.32Å; D130-A132 PolarHBondContact O-N 3.25Å; A132-C136 WeakPolarHBondContact O-CB 3.49Å; A132-C136 PolarHBondContact O-N 2.91Å; A132-L159 HydrophobicContact CB-CB 4.18Å; A132-L159 HydrophobicContact CB-CD1 4.07Å; A132-F163 HydrophobicContact CB-CD2 4.32Å; A132-W167 HydrophobicContact CB-CZ3 4.31Å; A132-I170 HydrophobicContact CB-CD1 4.06Å; A132-I170 HydrophobicContact CB-CG2 4.01Å |
| 133 | I | 97.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.3 | -47 | 174.5 | -64.2 | 162.8 | 0 | 0 | 0 | 109.9 | T129 D130 C136 K137 I170 Q173 A174 Y234 | T129-I133 HydrophobicContact CG2-CD1 4.43Å; T129-I133 WeakPolarHBondContact O-CG1 3.47Å; T129-I133 PolarHBondContact O-N 3.48Å; D130-I133 WeakPolarHBondContact O-CB 3.26Å; D130-I133 PolarHBondContact O-N 2.85Å; I133-C136 PolarHBondContact O-N 3.37Å; I133-K137 WeakPolarHBondContact O-CB 3.37Å; I133-K137 PolarHBondContact O-N 3.35Å; I133-I170 HydrophobicContact CG1-CG2 3.96Å; I133-Q173 HydrophobicContact CD1-CB 4.24Å; I133-Q173 HydrophobicContact CG1-CB 4.34Å; I133-Q173 HydrophobicContact CG2-CB 4.49Å; I133-A174 HydrophobicContact CG2-CB 4.23Å; I133-Y234 HydrophobicContact CB-CD2 4.16Å; I133-Y234 HydrophobicContact CB-CE2 4.21Å; I133-Y234 HydrophobicContact CD1-CD2 4.12Å; I133-Y234 HydrophobicContact CD1-CG 4.48Å; I133-Y234 HydrophobicContact CG2-CD1 4.48Å; I133-Y234 HydrophobicContact CG2-CD2 4.13Å; I133-Y234 HydrophobicContact CG2-CE2 4.24Å; I133-Y234 HydrophobicContact CG2-CG 4.25Å |
| 134 | Y | 97.3 | Very high | 92 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.4 | -53.2 | 177.8 | 171.4 | -109.1 | 0 | 0 | 0 | 112.7 | D130 Y131 K137 R138 E196 R197 W200 Y234 | D130-Y134 PolarHBondContact O-N 2.92Å; Y131-Y134 AromaticContact CD2-CD1 3.91Å; Y131-Y134 HydrophobicContact CD2-CD1 3.91Å; Y131-Y134 AromaticContact CE2-CD1 3.84Å; Y131-Y134 HydrophobicContact CE2-CD1 3.84Å; Y131-Y134 HydrophobicContact CE2-CE1 4.27Å; Y131-Y134 WeakPolarHBondContact O-CB 3.44Å; Y131-Y134 PolarHBondContact O-N 3.22Å; Y134-K137 WeakPolarHBondContact O-CB 3.46Å; Y134-K137 PolarHBondContact O-N 3.44Å; Y134-R138 HydrophobicContact CE2-CG 4.29Å; Y134-R138 PolarHBondContact O-N 3.06Å; Y134-R138 VanDerWaalsContact OH-CD 3.27Å; Y134-R138 WeakPolarHBondContact OH-CD 3.27Å; Y134-R138 PolarHBondContact OH-NH1 3.34Å; Y134-R138 VanDerWaalsContact OH-NH1 3.08Å; Y134-E196 HydrophobicContact CD2-CG 3.86Å; Y134-E196 HydrophobicContact CE2-CB 4.49Å; Y134-E196 HydrophobicContact CE2-CG 3.84Å; Y134-R197 VanDerWaalsContact OH-CA 3.27Å; Y134-R197 WeakPolarHBondContact OH-CA 3.45Å; Y134-R197 WeakPolarHBondContact OH-CB 3.48Å; Y134-W200 HydrophobicContact CD1-CB 4.36Å; Y134-W200 AromaticContact CD1-CD1 3.43Å; Y134-W200 VanDerWaalsContact CD1-CD1 3.43Å; Y134-W200 HydrophobicContact CD1-CD2 4.38Å; Y134-W200 AromaticContact CD1-CG 3.81Å; Y134-W200 HydrophobicContact CD1-CG 3.81Å; Y134-W200 AromaticContact CD1-NE1 3.78Å; Y134-W200 AromaticContact CD2-CD1 3.39Å; Y134-W200 HydrophobicContact CD2-CG 4.48Å; Y134-W200 AromaticContact CD2-NE1 3.49Å; Y134-W200 HydrophobicContact CE1-CB 4.06Å; Y134-W200 AromaticContact CE1-CD1 3.64Å; Y134-W200 AromaticContact CE1-CG 3.94Å; Y134-W200 HydrophobicContact CE1-CG 3.94Å; Y134-W200 AromaticContact CE2-CD1 3.59Å; Y134-W200 AromaticContact CG-CD1 3.3Å; Y134-W200 HydrophobicContact CG-CG 4.09Å; Y134-W200 AromaticContact CG-NE1 3.25Å; Y134-W200 VanDerWaalsContact CG-NE1 3.25Å; Y134-W200 AromaticContact CZ-CD1 3.7Å; Y134-Y234 WeakPolarHBondContact CB-OH 3.49Å |
| 135 | L | 97.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -43.5 | -179 | -67.6 | 178.8 | 0 | 0 | 0 | 111.3 | Y131 K137 R138 T139 L148 E152 N155 L156 L159 | Y131-L135 HydrophobicContact CD1-CD1 4.06Å; Y131-L135 HydrophobicContact CD2-CD1 4.43Å; Y131-L135 HydrophobicContact CD2-CG 4.18Å; Y131-L135 HydrophobicContact CE1-CD1 3.67Å; Y131-L135 HydrophobicContact CE1-CG 4.38Å; Y131-L135 HydrophobicContact CE2-CD1 4.08Å; Y131-L135 HydrophobicContact CE2-CD2 3.92Å; Y131-L135 HydrophobicContact CE2-CG 3.87Å; Y131-L135 HydrophobicContact CG-CD1 4.41Å; Y131-L135 WeakPolarHBondContact O-CG 3.37Å; Y131-L135 PolarHBondContact O-N 2.84Å; L135-K137 PolarHBondContact O-N 2.68Å; L135-R138 PolarHBondContact O-N 3.18Å; L135-T139 WeakPolarHBondContact O-CG2 3.13Å; L135-T139 PolarHBondContact O-N 2.7Å; L135-T139 VanDerWaalsContact O-N 3.13Å; L135-L148 HydrophobicContact CD2-CD2 3.83Å; L135-E152 HydrophobicContact CD2-CB 3.94Å; L135-E152 HydrophobicContact CD2-CG 4.4Å; L135-N155 HydrophobicContact CD1-CB 4.21Å; L135-L156 HydrophobicContact CB-CB 4.38Å; L135-L156 HydrophobicContact CB-CD1 3.88Å; L135-L156 HydrophobicContact CD1-CB 3.99Å; L135-L159 HydrophobicContact CD1-CD1 4.13Å |
| 136 | C | 96.8 | Very high | 92.4 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.027 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.5 | -48.7 | 174.8 | -171.4 | 0 | 0 | 0 | 0 | 110.7 | A132 I133 R138 T139 M140 W167 A174 | A132-C136 WeakPolarHBondContact O-CB 3.49Å; A132-C136 PolarHBondContact O-N 2.91Å; I133-C136 PolarHBondContact O-N 3.37Å; C136-R138 VanDerWaalsContact C-N 3.27Å; C136-R138 PolarHBondContact O-N 3.43Å; C136-T139 PolarHBondContact O-N 2.98Å; C136-T139 VanDerWaalsContact O-N 3.15Å; C136-T139 PolarHBondContact O-OG1 2.93Å; C136-M140 WeakPolarHBondContact O-CG 3.29Å; C136-M140 PolarHBondContact O-N 3.31Å; C136-W167 HydrophobicContact CB-CH2 4.27Å; C136-W167 HydrophobicContact CB-CZ2 4.36Å; C136-A174 HydrophobicContact CB-CB 3.93Å |
| 137 | K | 95.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 1% | 0.013 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -54.5 | -42.3 | 177.1 | -171.2 | -177.7 | 74 | 165.1 | 0 | 111.8 | I133 Y134 L135 M140 A174 Q177 V178 D181 E196 | I133-K137 WeakPolarHBondContact O-CB 3.37Å; I133-K137 PolarHBondContact O-N 3.35Å; Y134-K137 WeakPolarHBondContact O-CB 3.46Å; Y134-K137 PolarHBondContact O-N 3.44Å; L135-K137 PolarHBondContact O-N 2.68Å; K137-M140 PolarHBondContact O-N 2.9Å; K137-A174 HydrophobicContact CB-CB 4.14Å; K137-Q177 HydrophobicContact CD-CB 3.83Å; K137-Q177 HydrophobicContact CD-CG 3.71Å; K137-V178 HydrophobicContact CG-CG2 3.57Å; K137-D181 IonicContact NZ-OD2 2.88Å; K137-D181 PolarHBondContact NZ-OD2 3.06Å; K137-D181 VanDerWaalsContact NZ-OD2 3.14Å; K137-E196 WeakPolarHBondContact CE-OE2 3.24Å; K137-E196 IonicContact NZ-OE1 3.46Å; K137-E196 PolarHBondContact NZ-OE1 3.24Å; K137-E196 IonicContact NZ-OE2 2.7Å; K137-E196 PolarHBondContact NZ-OE2 3.22Å |
| 138 | R | 95.1 | Very high | 92.7 | Very high | 11 Ų | 11 | 41.7 Ų | 41.7 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.7 | -45 | 177.9 | -82.7 | -176 | 59.9 | -168.2 | -7.9 | 113 | Y134 L135 C136 M140 Q141 L146 E147 L148 E152 | Y134-R138 HydrophobicContact CE2-CG 4.29Å; Y134-R138 PolarHBondContact O-N 3.06Å; Y134-R138 VanDerWaalsContact OH-CD 3.27Å; Y134-R138 WeakPolarHBondContact OH-CD 3.27Å; Y134-R138 PolarHBondContact OH-NH1 3.34Å; Y134-R138 VanDerWaalsContact OH-NH1 3.08Å; L135-R138 PolarHBondContact O-N 3.18Å; C136-R138 VanDerWaalsContact C-N 3.27Å; C136-R138 PolarHBondContact O-N 3.43Å; R138-M140 PolarHBondContact O-N 3.4Å; R138-Q141 PolarHBondContact O-N 3.3Å; R138-L146 PolarHBondContact NE-O 2.99Å; R138-L146 PolarHBondContact NH2-O 3.1Å; R138-E147 PolarHBondContact NH2-O 2.65Å; R138-L148 HydrophobicContact CB-CD2 3.91Å; R138-E152 IonicContact CZ-OE1 3.8Å; R138-E152 IonicContact CZ-OE2 3.72Å; R138-E152 VanDerWaalsContact CZ-OE2 3.27Å; R138-E152 IonicContact NH1-OE1 3.7Å; R138-E152 PolarHBondContact NH1-OE1 3.48Å; R138-E152 IonicContact NH1-OE2 3.97Å; R138-E152 PolarHBondContact NH1-OE2 2.77Å; R138-E152 IonicContact NH2-OE1 2.8Å; R138-E152 IonicContact NH2-OE2 3.71Å; R138-E152 PolarHBondContact NH2-OE2 3.08Å |
| 139 | T | 94.3 | Very high | 92.7 | Very high | 62 Ų | 62 | 39.3 Ų | 39.3 | 38% | 0.38 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.2 | -29.8 | 178.2 | 63.2 | 0 | 0 | 0 | 0 | 112.9 | L135 C136 Q141 N142 L148 L156 | L135-T139 WeakPolarHBondContact O-CG2 3.13Å; L135-T139 PolarHBondContact O-N 2.7Å; L135-T139 VanDerWaalsContact O-N 3.13Å; C136-T139 PolarHBondContact O-N 2.98Å; C136-T139 VanDerWaalsContact O-N 3.15Å; C136-T139 PolarHBondContact O-OG1 2.93Å; T139-Q141 VanDerWaalsContact C-N 3.31Å; T139-Q141 PolarHBondContact O-N 3.37Å; T139-N142 PolarHBondContact O-OD1 3.4Å; T139-L148 HydrophobicContact CG2-CD1 3.54Å; T139-L148 HydrophobicContact CG2-CG 3.96Å; T139-L156 HydrophobicContact CG2-CD2 3.78Å |
| 140 | M | 92.9 | Very high | 92.8 | Very high | 42 Ų | 42 | 44.2 Ų | 44.2 | 21% | 0.207 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -12.7 | -178.8 | -62.8 | 172.7 | 81 | 0 | 0 | 114.4 | C136 K137 R138 F171 A174 E175 V178 | C136-M140 WeakPolarHBondContact O-CG 3.29Å; C136-M140 PolarHBondContact O-N 3.31Å; K137-M140 PolarHBondContact O-N 2.9Å; R138-M140 PolarHBondContact O-N 3.4Å; M140-F171 HydrophobicContact CE-CE1 4.15Å; M140-F171 HydrophobicContact CE-CE2 3.83Å; M140-F171 HydrophobicContact CE-CZ 3.6Å; M140-F171 HydrophobicContact CG-CE2 4.47Å; M140-F171 HydrophobicContact SD-CD2 4.44Å; M140-F171 HydrophobicContact SD-CE2 4.08Å; M140-F171 HydrophobicContact SD-CZ 4.45Å; M140-A174 HydrophobicContact SD-CB 4.03Å; M140-E175 HydrophobicContact CE-CB 3.73Å; M140-E175 HydrophobicContact CE-CG 3.74Å; M140-V178 HydrophobicContact CB-CG2 4.2Å; M140-V178 HydrophobicContact SD-CG2 4.5Å |
| 141 | Q | 85.7 | Confident | 92.9 | Very high | 23 Ų | 23 | 45.1 Ų | 45.1 | 11% | 0.107 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -13.9 | -174.2 | -69.3 | -159.7 | 43.9 | 0 | 0 | 114.3 | R138 T139 K143 L146 V178 | R138-Q141 PolarHBondContact O-N 3.3Å; T139-Q141 VanDerWaalsContact C-N 3.31Å; T139-Q141 PolarHBondContact O-N 3.37Å; Q141-K143 VanDerWaalsContact C-N 3.32Å; Q141-K143 WeakPolarHBondContact O-CG 3.49Å; Q141-K143 PolarHBondContact O-N 3.02Å; Q141-K143 VanDerWaalsContact OE1-NZ 3.16Å; Q141-L146 HydrophobicContact CB-CD1 3.67Å; Q141-L146 HydrophobicContact CG-CD1 3.99Å; Q141-V178 HydrophobicContact CG-CG2 4.49Å |
| 142 | N | 82.4 | Confident | 92.9 | Very high | 152 Ų | 152 | 45 Ų | 45 | 81% | 0.813 | 24% | 0.238 | S | C | * | . | trans | 45.6 | 50.2 | 178.8 | -64.9 | -12.7 | 0 | 0 | 0 | 113.6 | T139 | T139-N142 PolarHBondContact O-OD1 3.4Š| ||
| 143 | K | 86.1 | Confident | 92.9 | Very high | 59 Ų | 59 | 47.2 Ų | 47.2 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | trans | -128.1 | 129.2 | 177 | -70.1 | 170.9 | -167.4 | 157.7 | 0 | 109.3 | Q141 R145 L146 E147 | Q141-K143 VanDerWaalsContact C-N 3.32Å; Q141-K143 WeakPolarHBondContact O-CG 3.49Å; Q141-K143 PolarHBondContact O-N 3.02Å; Q141-K143 VanDerWaalsContact OE1-NZ 3.16Å; K143-R145 VanDerWaalsContact C-N 3.27Å; K143-R145 HydrophobicContact CB-CG 4.39Å; K143-R145 PolarHBondContact O-N 3.42Å; K143-R145 VanDerWaalsContact O-N 3.15Å; K143-L146 HydrophobicContact CB-CB 4.45Å; K143-L146 HydrophobicContact CB-CD1 4.4Å; K143-L146 HydrophobicContact CB-CG 4.4Å; K143-L146 HydrophobicContact CD-CD1 4.13Å; K143-L146 WeakPolarHBondContact O-CA 3.47Å; K143-L146 PolarHBondContact O-N 3.11Å; K143-E147 PolarHBondContact O-N 2.84Å | ||
| 144 | A | 85.5 | Confident | 92.9 | Very high | 75 Ų | 75 | 53.8 Ų | 53.8 | 62% | 0.62 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -49 | -44.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | L146 E147 | A144-L146 PolarHBondContact O-N 3.21Å; A144-E147 WeakPolarHBondContact CA-OE1 3.44Å; A144-E147 WeakPolarHBondContact O-CB 3.16Å; A144-E147 PolarHBondContact O-N 2.94Å; A144-E147 VanDerWaalsContact O-N 3.12Å |
| 145 | R | 84 | Confident | 92.9 | Very high | 111 Ų | 111 | 54.9 Ų | 54.9 | 42% | 0.419 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -62.9 | -12 | 177.9 | 77.4 | -179.7 | 176 | 89.9 | 11.6 | 115.6 | K143 D193 | K143-R145 VanDerWaalsContact C-N 3.27Å; K143-R145 HydrophobicContact CB-CG 4.39Å; K143-R145 PolarHBondContact O-N 3.42Å; K143-R145 VanDerWaalsContact O-N 3.15Å; R145-D193 IonicContact CZ-OD2 3.37Å; R145-D193 VanDerWaalsContact CZ-OD2 3.26Å; R145-D193 IonicContact NH1-OD2 3.1Å; R145-D193 PolarHBondContact NH1-OD2 3.32Å; R145-D193 IonicContact NH2-OD2 2.84Å; R145-D193 PolarHBondContact NH2-OD2 3.45Å |
| 146 | L | 88.4 | Confident | 92.9 | Very high | 14 Ų | 14 | 55.6 Ų | 55.6 | 7% | 0.073 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -115.8 | 1.6 | -178.5 | -65 | -178.7 | 0 | 0 | 0 | 111.9 | R138 Q141 K143 A144 D193 | R138-L146 PolarHBondContact NE-O 2.99Å; R138-L146 PolarHBondContact NH2-O 3.1Å; Q141-L146 HydrophobicContact CB-CD1 3.67Å; Q141-L146 HydrophobicContact CG-CD1 3.99Å; K143-L146 HydrophobicContact CB-CB 4.45Å; K143-L146 HydrophobicContact CB-CD1 4.4Å; K143-L146 HydrophobicContact CB-CG 4.4Å; K143-L146 HydrophobicContact CD-CD1 4.13Å; K143-L146 WeakPolarHBondContact O-CA 3.47Å; K143-L146 PolarHBondContact O-N 3.11Å; A144-L146 PolarHBondContact O-N 3.21Å; L146-D193 HydrophobicContact CD2-CB 4.24Å |
| 147 | E | 92.3 | Very high | 93 | Very high | 138 Ų | 138 | 57.3 Ų | 57.3 | 65% | 0.645 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 141.8 | 173.4 | -75.9 | 172 | -173.5 | 0 | 0 | 109.7 | R138 K143 A144 | R138-E147 PolarHBondContact NH2-O 2.65Å; K143-E147 PolarHBondContact O-N 2.84Å; A144-E147 WeakPolarHBondContact CA-OE1 3.44Å; A144-E147 WeakPolarHBondContact O-CB 3.16Å; A144-E147 PolarHBondContact O-N 2.94Å; A144-E147 VanDerWaalsContact O-N 3.12Å |
| 148 | L | 95.4 | Very high | 93.1 | Very high | 36 Ų | 36 | 63.7 Ų | 63.7 | 19% | 0.188 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 136.2 | 179.7 | -62.3 | -171.8 | 0 | 0 | 0 | 109 | L135 R138 T139 E152 A153 L156 | L135-L148 HydrophobicContact CD2-CD2 3.83Å; R138-L148 HydrophobicContact CB-CD2 3.91Å; T139-L148 HydrophobicContact CG2-CD1 3.54Å; T139-L148 HydrophobicContact CG2-CG 3.96Å; L148-E152 HydrophobicContact CB-CB 4.03Å; L148-E152 HydrophobicContact CD2-CB 4.27Å; L148-A153 HydrophobicContact CB-CB 4.35Å; L148-L156 HydrophobicContact CD1-CB 4.32Å; L148-L156 HydrophobicContact CD1-CD2 3.62Å |
| 149 | A | 95.4 | Very high | 93.2 | Very high | 31 Ų | 31 | 63.5 Ų | 63.5 | 26% | 0.256 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 161.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y151 E152 A153 | A149-Y151 VanDerWaalsContact C-N 3.3Å; A149-Y151 HydrophobicContact CB-CD1 3.68Å; A149-Y151 HydrophobicContact CB-CE1 3.54Å; A149-Y151 PolarHBondContact O-N 3.03Å; A149-E152 HydrophobicContact CB-CG 4.22Å; A149-E152 PolarHBondContact N-OE2 3.41Å; A149-E152 WeakPolarHBondContact O-CA 3.19Å; A149-E152 WeakPolarHBondContact O-CB 3.42Å; A149-E152 PolarHBondContact O-N 2.94Å; A149-A153 PolarHBondContact O-N 3.01Å |
| 150 | D | 96.8 | Very high | 93.4 | Very high | 150 Ų | 150 | 64.4 Ų | 64.4 | 80% | 0.802 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -55.3 | -44.1 | -176.2 | -65 | -29.1 | 0 | 0 | 0 | 112.6 | E152 A153 E154 | D150-E152 VanDerWaalsContact C-N 3.3Å; D150-E152 PolarHBondContact O-N 2.77Å; D150-A153 PolarHBondContact O-N 3.28Å; D150-E154 PolarHBondContact O-N 2.82Å |
| 151 | Y | 96.8 | Very high | 93.6 | Very high | 27 Ų | 27 | 70.9 Ų | 70.9 | 11% | 0.106 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.1 | -32.1 | 177.6 | 80.4 | -85.4 | 0 | 0 | 0 | 112.7 | H100 A149 N155 V206 P207 | H100-Y151 PolarHBondContact ND1-OH 3.39Å; A149-Y151 VanDerWaalsContact C-N 3.3Å; A149-Y151 HydrophobicContact CB-CD1 3.68Å; A149-Y151 HydrophobicContact CB-CE1 3.54Å; A149-Y151 PolarHBondContact O-N 3.03Å; Y151-N155 WeakPolarHBondContact O-CB 3.28Å; Y151-N155 VanDerWaalsContact O-CG 3.31Å; Y151-N155 PolarHBondContact O-N 2.92Å; Y151-N155 PolarHBondContact O-ND2 2.59Å; Y151-V206 HydrophobicContact CE1-CG1 4.46Å; Y151-V206 HydrophobicContact CE1-CG2 3.99Å; Y151-P207 HydrophobicContact CD2-CG 4.46Å; Y151-P207 HydrophobicContact CG-CG 4.32Å |
| 152 | E | 97.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -72 | -39.4 | 175.7 | -62.2 | -173.3 | 117.3 | 0 | 0 | 110.9 | H100 L135 R138 L148 A149 D150 N155 L156 | H100-E152 IonicContact CE1-OE1 3.75Å; H100-E152 IonicContact CE1-OE2 3.62Å; H100-E152 IonicContact NE2-OE2 2.67Å; L135-E152 HydrophobicContact CD2-CB 3.94Å; L135-E152 HydrophobicContact CD2-CG 4.4Å; R138-E152 IonicContact CZ-OE1 3.8Å; R138-E152 IonicContact CZ-OE2 3.72Å; R138-E152 VanDerWaalsContact CZ-OE2 3.27Å; R138-E152 IonicContact NH1-OE1 3.7Å; R138-E152 PolarHBondContact NH1-OE1 3.48Å; R138-E152 IonicContact NH1-OE2 3.97Å; R138-E152 PolarHBondContact NH1-OE2 2.77Å; R138-E152 IonicContact NH2-OE1 2.8Å; R138-E152 IonicContact NH2-OE2 3.71Å; R138-E152 PolarHBondContact NH2-OE2 3.08Å; L148-E152 HydrophobicContact CB-CB 4.03Å; L148-E152 HydrophobicContact CD2-CB 4.27Å; A149-E152 HydrophobicContact CB-CG 4.22Å; A149-E152 PolarHBondContact N-OE2 3.41Å; A149-E152 WeakPolarHBondContact O-CA 3.19Å; A149-E152 WeakPolarHBondContact O-CB 3.42Å; A149-E152 PolarHBondContact O-N 2.94Å; D150-E152 VanDerWaalsContact C-N 3.3Å; D150-E152 PolarHBondContact O-N 2.77Å; E152-N155 WeakPolarHBondContact O-CB 3.4Å; E152-N155 PolarHBondContact O-N 3.39Å; E152-L156 WeakPolarHBondContact O-CB 3.09Å; E152-L156 PolarHBondContact O-N 2.95Å |
| 153 | A | 97.3 | Very high | 94.9 | Very high | 45 Ų | 45 | 68.3 Ų | 68.3 | 37% | 0.372 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L148 A149 D150 L156 A157 | L148-A153 HydrophobicContact CB-CB 4.35Å; A149-A153 PolarHBondContact O-N 3.01Å; D150-A153 PolarHBondContact O-N 3.28Å; A153-L156 PolarHBondContact O-N 3.33Å; A153-A157 PolarHBondContact O-N 3.21Å |
| 154 | E | 97.6 | Very high | 95.4 | Very high | 142 Ų | 142 | 68.8 Ų | 68.8 | 66% | 0.664 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62 | -44.8 | 173.3 | -172.2 | -175.8 | 169.6 | 0 | 0 | 111.5 | D150 L156 A157 R158 | D150-E154 PolarHBondContact O-N 2.82Å; E154-L156 PolarHBondContact O-N 2.95Å; E154-A157 PolarHBondContact O-N 3.19Å; E154-R158 PolarHBondContact O-N 3.46Å |
| 155 | N | 97.4 | Very high | 95.9 | Very high | 27 Ų | 27 | 77.1 Ų | 77.1 | 14% | 0.144 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 174.7 | -84.5 | -42 | 0 | 0 | 0 | 111.9 | Y131 L135 Y151 E152 A157 R158 L159 | Y131-N155 HydrophobicContact CE1-CB 3.94Å; L135-N155 HydrophobicContact CD1-CB 4.21Å; Y151-N155 WeakPolarHBondContact O-CB 3.28Å; Y151-N155 VanDerWaalsContact O-CG 3.31Å; Y151-N155 PolarHBondContact O-N 2.92Å; Y151-N155 PolarHBondContact O-ND2 2.59Å; E152-N155 WeakPolarHBondContact O-CB 3.4Å; E152-N155 PolarHBondContact O-N 3.39Å; N155-A157 PolarHBondContact O-N 3.45Å; N155-R158 WeakPolarHBondContact O-CB 3.36Å; N155-R158 PolarHBondContact O-N 2.93Å; N155-R158 PolarHBondContact OD1-NH2 2.97Å; N155-L159 VanDerWaalsContact O-CG 3.23Å; N155-L159 WeakPolarHBondContact O-CG 3.33Å; N155-L159 PolarHBondContact O-N 3.37Å |
| 156 | L | 97.9 | Very high | 96.4 | Very high | 15 Ų | 15 | 78.4 Ų | 78.4 | 8% | 0.079 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 176 | -179.2 | 58.7 | 0 | 0 | 0 | 111.1 | L135 T139 L148 E152 A153 E154 R158 L159 Q160 W167 | L135-L156 HydrophobicContact CB-CB 4.38Å; L135-L156 HydrophobicContact CB-CD1 3.88Å; L135-L156 HydrophobicContact CD1-CB 3.99Å; T139-L156 HydrophobicContact CG2-CD2 3.78Å; L148-L156 HydrophobicContact CD1-CB 4.32Å; L148-L156 HydrophobicContact CD1-CD2 3.62Å; E152-L156 WeakPolarHBondContact O-CB 3.09Å; E152-L156 PolarHBondContact O-N 2.95Å; A153-L156 PolarHBondContact O-N 3.33Å; E154-L156 PolarHBondContact O-N 2.95Å; L156-R158 VanDerWaalsContact C-N 3.29Å; L156-R158 PolarHBondContact O-N 3.2Å; L156-L159 PolarHBondContact O-N 3.39Å; L156-L159 VanDerWaalsContact O-N 3.16Å; L156-Q160 HydrophobicContact CD1-CG 4.34Å; L156-Q160 WeakPolarHBondContact O-CB 3.43Å; L156-Q160 WeakPolarHBondContact O-CG 3.41Å; L156-Q160 PolarHBondContact O-N 2.92Å; L156-W167 HydrophobicContact CD1-CH2 3.58Å; L156-W167 HydrophobicContact CD1-CZ2 4.36Å; L156-W167 HydrophobicContact CD1-CZ3 4.41Å |
| 157 | A | 98.1 | Very high | 96.8 | Very high | 39 Ų | 39 | 80.2 Ų | 80.2 | 32% | 0.322 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.4 | -37.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A153 E154 N155 R161 | A153-A157 PolarHBondContact O-N 3.21Å; E154-A157 PolarHBondContact O-N 3.19Å; N155-A157 PolarHBondContact O-N 3.45Å; A157-R161 WeakPolarHBondContact O-CG 3.37Å; A157-R161 PolarHBondContact O-N 3.25Å; A157-R161 PolarHBondContact O-NE 3.1Å |
| 158 | R | 98.1 | Very high | 97 | Very high | 137 Ų | 137 | 81.2 Ų | 81.2 | 52% | 0.517 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 173.7 | -177.3 | 176.6 | 62.6 | 164.6 | -2.8 | 111.9 | E154 N155 L156 R161 A162 | E154-R158 PolarHBondContact O-N 3.46Å; N155-R158 WeakPolarHBondContact O-CB 3.36Å; N155-R158 PolarHBondContact O-N 2.93Å; N155-R158 PolarHBondContact OD1-NH2 2.97Å; L156-R158 VanDerWaalsContact C-N 3.29Å; L156-R158 PolarHBondContact O-N 3.2Å; R158-R161 PolarHBondContact O-N 2.94Å; R158-A162 WeakPolarHBondContact O-CB 3.33Å; R158-A162 PolarHBondContact O-N 2.71Å |
| 159 | L | 98 | Very high | 97 | Very high | 7 Ų | 7 | 86.1 Ų | 86.1 | 4% | 0.037 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.8 | -38.6 | 179.4 | -66.9 | 167 | 0 | 0 | 0 | 112 | N128 Y131 A132 L135 N155 L156 R161 A162 F163 | N128-L159 HydrophobicContact CB-CD2 3.83Å; Y131-L159 HydrophobicContact CD1-CD1 3.75Å; Y131-L159 HydrophobicContact CE1-CD1 4.4Å; Y131-L159 HydrophobicContact CG-CD1 4.44Å; A132-L159 HydrophobicContact CB-CB 4.18Å; A132-L159 HydrophobicContact CB-CD1 4.07Å; L135-L159 HydrophobicContact CD1-CD1 4.13Å; N155-L159 VanDerWaalsContact O-CG 3.23Å; N155-L159 WeakPolarHBondContact O-CG 3.33Å; N155-L159 PolarHBondContact O-N 3.37Å; L156-L159 PolarHBondContact O-N 3.39Å; L156-L159 VanDerWaalsContact O-N 3.16Å; L159-R161 VanDerWaalsContact C-N 3.31Å; L159-R161 PolarHBondContact O-N 3.25Å; L159-A162 PolarHBondContact O-N 2.88Å; L159-F163 HydrophobicContact CB-CD2 4.3Å; L159-F163 HydrophobicContact CD2-CD2 4.31Å; L159-F163 HydrophobicContact CD2-CE2 3.77Å; L159-F163 WeakPolarHBondContact O-CB 3.39Å; L159-F163 WeakPolarHBondContact O-CD2 3.32Å; L159-F163 PolarHBondContact O-N 3.29Å |
| 160 | Q | 97.7 | Very high | 97 | Very high | 82 Ų | 82 | 84.9 Ų | 84.9 | 38% | 0.383 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58.1 | -43.4 | 172.6 | -78.5 | 176.3 | -21.4 | 0 | 0 | 111.7 | L156 A164 W167 | L156-Q160 HydrophobicContact CD1-CG 4.34Å; L156-Q160 WeakPolarHBondContact O-CB 3.43Å; L156-Q160 WeakPolarHBondContact O-CG 3.41Å; L156-Q160 PolarHBondContact O-N 2.92Å; Q160-A164 VanDerWaalsContact O-CA 3.29Å; Q160-A164 WeakPolarHBondContact O-CA 3.2Å; Q160-A164 PolarHBondContact O-N 3.1Å; Q160-W167 HydrophobicContact CB-CE3 4.36Å; Q160-W167 HydrophobicContact CB-CZ3 4.32Å; Q160-W167 HydrophobicContact CG-CD2 3.97Å; Q160-W167 HydrophobicContact CG-CE3 3.75Å; Q160-W167 HydrophobicContact CG-CH2 3.38Å; Q160-W167 HydrophobicContact CG-CZ2 3.56Å; Q160-W167 HydrophobicContact CG-CZ3 3.45Å; Q160-W167 VanDerWaalsContact CG-CZ3 3.45Å; Q160-W167 VanDerWaalsContact NE2-CZ2 3.32Å |
| 161 | R | 97.8 | Very high | 97 | Very high | 178 Ų | 178 | 82.1 Ų | 82.1 | 67% | 0.672 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64.3 | -46.1 | 173.7 | -75.5 | -178.8 | -78.9 | 122.6 | -10.2 | 111.9 | A157 R158 L159 F163 | A157-R161 WeakPolarHBondContact O-CG 3.37Å; A157-R161 PolarHBondContact O-N 3.25Å; A157-R161 PolarHBondContact O-NE 3.1Å; R158-R161 PolarHBondContact O-N 2.94Å; L159-R161 VanDerWaalsContact C-N 3.31Å; L159-R161 PolarHBondContact O-N 3.25Å; R161-F163 VanDerWaalsContact C-N 3.35Å; R161-F163 PolarHBondContact O-N 3.42Å |
| 162 | A | 97.3 | Very high | 97 | Very high | 74 Ų | 74 | 86.6 Ų | 86.6 | 61% | 0.612 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66 | -35.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R158 L159 | R158-A162 WeakPolarHBondContact O-CB 3.33Å; R158-A162 PolarHBondContact O-N 2.71Å; L159-A162 PolarHBondContact O-N 2.88Å |
| 163 | F | 97.2 | Very high | 96.9 | Very high | 46 Ų | 46 | 91.2 Ų | 91.2 | 20% | 0.202 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 23.3 | -175.6 | -59.1 | -51.6 | 0 | 0 | 0 | 113.7 | N128 A132 L159 R161 R165 K166 W167 I170 | N128-F163 HydrophobicContact CB-CE2 3.93Å; N128-F163 HydrophobicContact CB-CZ 3.8Å; A132-F163 HydrophobicContact CB-CD2 4.32Å; L159-F163 HydrophobicContact CB-CD2 4.3Å; L159-F163 HydrophobicContact CD2-CD2 4.31Å; L159-F163 HydrophobicContact CD2-CE2 3.77Å; L159-F163 WeakPolarHBondContact O-CB 3.39Å; L159-F163 WeakPolarHBondContact O-CD2 3.32Å; L159-F163 PolarHBondContact O-N 3.29Å; R161-F163 VanDerWaalsContact C-N 3.35Å; R161-F163 PolarHBondContact O-N 3.42Å; F163-R165 PolarHBondContact O-N 3.04Å; F163-K166 CarbonylContact O-C 3.38Å; F163-K166 WeakPolarHBondContact O-CA 3.12Å; F163-K166 PolarHBondContact O-N 3.24Å; F163-W167 PolarHBondContact O-N 3.3Å; F163-I170 HydrophobicContact CB-CD1 3.72Å; F163-I170 HydrophobicContact CD2-CD1 3.92Å; F163-I170 HydrophobicContact CG-CD1 4.01Å |
| 164 | A | 96.8 | Very high | 96.8 | Very high | 69 Ų | 69 | 89 Ų | 89 | 57% | 0.57 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -49.2 | -41.1 | -174 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q160 K166 | Q160-A164 VanDerWaalsContact O-CA 3.29Å; Q160-A164 WeakPolarHBondContact O-CA 3.2Å; Q160-A164 PolarHBondContact O-N 3.1Å; A164-K166 PolarHBondContact O-N 3.35Å |
| 165 | R | 95.7 | Very high | 96.7 | Very high | 250 Ų | 250 | 85.8 Ų | 85.8 | 94% | 0.943 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -74.2 | -20.2 | 179.2 | -65.5 | -177 | 178 | 174.4 | -0.8 | 114.8 | F163 | F163-R165 PolarHBondContact O-N 3.04Š|
| 166 | K | 94.6 | Very high | 96.6 | Very high | 138 Ų | 138 | 86.8 Ų | 86.8 | 60% | 0.6 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -109.8 | 4.2 | -179.4 | -64.3 | -175.7 | 178.9 | -177.4 | 0 | 112.2 | F163 A164 E168 F169 I170 | F163-K166 CarbonylContact O-C 3.38Å; F163-K166 WeakPolarHBondContact O-CA 3.12Å; F163-K166 PolarHBondContact O-N 3.24Å; A164-K166 PolarHBondContact O-N 3.35Å; K166-E168 VanDerWaalsContact C-N 3.31Å; K166-E168 PolarHBondContact O-N 3.38Å; K166-F169 WeakPolarHBondContact O-CB 3.33Å; K166-F169 PolarHBondContact O-N 3.45Å; K166-F169 VanDerWaalsContact O-N 3.11Å; K166-I170 PolarHBondContact O-N 2.84Å |
| 167 | W | 96.8 | Very high | 96.4 | Very high | 52 Ų | 52 | 88.6 Ų | 88.6 | 20% | 0.197 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.2 | -37.3 | -171.3 | -172.2 | -103.6 | 0 | 0 | 0 | 112.7 | A132 C136 L156 Q160 F163 F169 I170 F171 | A132-W167 HydrophobicContact CB-CZ3 4.31Å; C136-W167 HydrophobicContact CB-CH2 4.27Å; C136-W167 HydrophobicContact CB-CZ2 4.36Å; L156-W167 HydrophobicContact CD1-CH2 3.58Å; L156-W167 HydrophobicContact CD1-CZ2 4.36Å; L156-W167 HydrophobicContact CD1-CZ3 4.41Å; Q160-W167 HydrophobicContact CB-CE3 4.36Å; Q160-W167 HydrophobicContact CB-CZ3 4.32Å; Q160-W167 HydrophobicContact CG-CD2 3.97Å; Q160-W167 HydrophobicContact CG-CE3 3.75Å; Q160-W167 HydrophobicContact CG-CH2 3.38Å; Q160-W167 HydrophobicContact CG-CZ2 3.56Å; Q160-W167 HydrophobicContact CG-CZ3 3.45Å; Q160-W167 VanDerWaalsContact CG-CZ3 3.45Å; Q160-W167 VanDerWaalsContact NE2-CZ2 3.32Å; F163-W167 PolarHBondContact O-N 3.3Å; W167-F169 VanDerWaalsContact C-N 3.28Å; W167-F169 PolarHBondContact O-N 3.18Å; W167-I170 HydrophobicContact CE3-CB 4.45Å; W167-I170 HydrophobicContact CE3-CD1 4.1Å; W167-I170 HydrophobicContact CE3-CG2 4.36Å; W167-I170 HydrophobicContact CH2-CG2 4.32Å; W167-I170 HydrophobicContact CZ3-CD1 4.34Å; W167-I170 HydrophobicContact CZ3-CG2 4.06Å; W167-I170 PolarHBondContact O-N 2.99Å; W167-F171 WeakPolarHBondContact O-CB 3.33Å; W167-F171 PolarHBondContact O-N 3.02Å |
| 168 | E | 96.3 | Very high | 96.2 | Very high | 160 Ų | 160 | 87.1 Ų | 87.1 | 75% | 0.748 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59.2 | -38.8 | 176.2 | -66.5 | -172.8 | 165.1 | 0 | 0 | 112.5 | K166 F171 M172 | K166-E168 VanDerWaalsContact C-N 3.31Å; K166-E168 PolarHBondContact O-N 3.38Å; E168-F171 PolarHBondContact O-N 3.48Å; E168-M172 WeakPolarHBondContact O-CB 3.47Å; E168-M172 PolarHBondContact O-N 3.4Å |
| 169 | F | 95.6 | Very high | 96 | Very high | 138 Ų | 138 | 85.8 Ų | 85.8 | 61% | 0.605 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -68.1 | -41.8 | 176.1 | -63.3 | -73.6 | 0 | 0 | 0 | 111.9 | K166 W167 F171 M172 Q173 | K166-F169 WeakPolarHBondContact O-CB 3.33Å; K166-F169 PolarHBondContact O-N 3.45Å; K166-F169 VanDerWaalsContact O-N 3.11Å; W167-F169 VanDerWaalsContact C-N 3.28Å; W167-F169 PolarHBondContact O-N 3.18Å; F169-F171 VanDerWaalsContact C-N 3.33Å; F169-F171 PolarHBondContact O-N 3.08Å; F169-M172 PolarHBondContact O-N 3.39Å; F169-Q173 WeakPolarHBondContact O-CG 3.47Å; F169-Q173 PolarHBondContact O-N 3.23Å |
| 170 | I | 96.1 | Very high | 95.7 | Very high | 5 Ų | 5 | 89.1 Ų | 89.1 | 3% | 0.026 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 175.4 | -67.5 | 170.8 | 0 | 0 | 0 | 110.1 | T129 A132 I133 F163 K166 W167 Q173 A174 | T129-I170 HydrophobicContact CG2-CD1 4.47Å; T129-I170 HydrophobicContact CG2-CG1 4.27Å; A132-I170 HydrophobicContact CB-CD1 4.06Å; A132-I170 HydrophobicContact CB-CG2 4.01Å; I133-I170 HydrophobicContact CG1-CG2 3.96Å; F163-I170 HydrophobicContact CB-CD1 3.72Å; F163-I170 HydrophobicContact CD2-CD1 3.92Å; F163-I170 HydrophobicContact CG-CD1 4.01Å; K166-I170 PolarHBondContact O-N 2.84Å; W167-I170 HydrophobicContact CE3-CB 4.45Å; W167-I170 HydrophobicContact CE3-CD1 4.1Å; W167-I170 HydrophobicContact CE3-CG2 4.36Å; W167-I170 HydrophobicContact CH2-CG2 4.32Å; W167-I170 HydrophobicContact CZ3-CD1 4.34Å; W167-I170 HydrophobicContact CZ3-CG2 4.06Å; W167-I170 PolarHBondContact O-N 2.99Å; I170-Q173 PolarHBondContact O-N 3.49Å; I170-A174 WeakPolarHBondContact O-CB 3.2Å; I170-A174 PolarHBondContact O-N 2.81Å |
| 171 | F | 97 | Very high | 95.3 | Very high | 93 Ų | 93 | 85.6 Ų | 85.6 | 41% | 0.408 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 177.6 | -175.9 | -90.3 | 0 | 0 | 0 | 111.6 | M140 W167 E168 F169 Q173 A174 E175 | M140-F171 HydrophobicContact CE-CE1 4.15Å; M140-F171 HydrophobicContact CE-CE2 3.83Å; M140-F171 HydrophobicContact CE-CZ 3.6Å; M140-F171 HydrophobicContact CG-CE2 4.47Å; M140-F171 HydrophobicContact SD-CD2 4.44Å; M140-F171 HydrophobicContact SD-CE2 4.08Å; M140-F171 HydrophobicContact SD-CZ 4.45Å; W167-F171 WeakPolarHBondContact O-CB 3.33Å; W167-F171 PolarHBondContact O-N 3.02Å; E168-F171 PolarHBondContact O-N 3.48Å; F169-F171 VanDerWaalsContact C-N 3.33Å; F169-F171 PolarHBondContact O-N 3.08Å; F171-Q173 PolarHBondContact O-N 2.98Å; F171-A174 PolarHBondContact O-N 3.01Å; F171-E175 WeakPolarHBondContact O-CB 3.48Å; F171-E175 PolarHBondContact O-N 3.12Å |
| 172 | M | 95.7 | Very high | 94.9 | Very high | 121 Ų | 121 | 85 Ų | 85 | 60% | 0.596 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.3 | -42 | 178 | -170.6 | -177 | -61.5 | 0 | 0 | 112.1 | E168 F169 E175 A176 | E168-M172 WeakPolarHBondContact O-CB 3.47Å; E168-M172 PolarHBondContact O-N 3.4Å; F169-M172 PolarHBondContact O-N 3.39Å; M172-E175 PolarHBondContact O-N 3.48Å; M172-A176 WeakPolarHBondContact O-CB 3.33Å; M172-A176 PolarHBondContact O-N 3.13Å |
| 173 | Q | 95.9 | Very high | 94.7 | Very high | 97 Ų | 97 | 90.2 Ų | 90.2 | 45% | 0.453 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 175.1 | -75.5 | -176 | -33.9 | 0 | 0 | 112 | I133 F169 I170 F171 E175 A176 Q177 | I133-Q173 HydrophobicContact CD1-CB 4.24Å; I133-Q173 HydrophobicContact CG1-CB 4.34Å; I133-Q173 HydrophobicContact CG2-CB 4.49Å; F169-Q173 WeakPolarHBondContact O-CG 3.47Å; F169-Q173 PolarHBondContact O-N 3.23Å; I170-Q173 PolarHBondContact O-N 3.49Å; F171-Q173 PolarHBondContact O-N 2.98Å; Q173-E175 VanDerWaalsContact C-N 3.34Å; Q173-E175 PolarHBondContact O-N 3.3Å; Q173-A176 PolarHBondContact O-N 3.29Å; Q173-Q177 PolarHBondContact O-N 3.36Å |
| 174 | A | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 91 Ų | 91 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | I133 C136 K137 M140 I170 F171 Q177 V178 | I133-A174 HydrophobicContact CG2-CB 4.23Å; C136-A174 HydrophobicContact CB-CB 3.93Å; K137-A174 HydrophobicContact CB-CB 4.14Å; M140-A174 HydrophobicContact SD-CB 4.03Å; I170-A174 WeakPolarHBondContact O-CB 3.2Å; I170-A174 PolarHBondContact O-N 2.81Å; F171-A174 PolarHBondContact O-N 3.01Å; A174-Q177 PolarHBondContact O-N 2.93Å; A174-V178 WeakPolarHBondContact O-CG2 3.32Å; A174-V178 PolarHBondContact O-N 3.4Å |
| 175 | E | 95.8 | Very high | 94.3 | Very high | 74 Ų | 74 | 91.8 Ų | 91.8 | 35% | 0.346 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 177.5 | -161.8 | -162.3 | -156.9 | 0 | 0 | 112.2 | M140 F171 M172 Q173 Q177 V178 K179 | M140-E175 HydrophobicContact CE-CB 3.73Å; M140-E175 HydrophobicContact CE-CG 3.74Å; F171-E175 WeakPolarHBondContact O-CB 3.48Å; F171-E175 PolarHBondContact O-N 3.12Å; M172-E175 PolarHBondContact O-N 3.48Å; Q173-E175 VanDerWaalsContact C-N 3.34Å; Q173-E175 PolarHBondContact O-N 3.3Å; E175-Q177 VanDerWaalsContact C-N 3.25Å; E175-Q177 PolarHBondContact O-N 3.04Å; E175-V178 PolarHBondContact O-N 3.44Å; E175-K179 WeakPolarHBondContact O-CG 3.43Å; E175-K179 PolarHBondContact O-N 3.47Å; E175-K179 IonicContact OE1-NZ 2.91Å; E175-K179 PolarHBondContact OE1-NZ 2.98Å; E175-K179 IonicContact OE2-NZ 3.26Å; E175-K179 PolarHBondContact OE2-NZ 3.2Å |
| 176 | A | 95.5 | Very high | 94 | Very high | 47 Ų | 47 | 86.8 Ų | 86.8 | 39% | 0.388 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -57.7 | -42 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | M172 Q173 K179 I180 | M172-A176 WeakPolarHBondContact O-CB 3.33Å; M172-A176 PolarHBondContact O-N 3.13Å; Q173-A176 PolarHBondContact O-N 3.29Å; A176-K179 WeakPolarHBondContact O-CB 3.45Å; A176-K179 PolarHBondContact O-N 2.83Å; A176-I180 WeakPolarHBondContact O-CG1 3.44Å; A176-I180 PolarHBondContact O-N 2.81Å |
| 177 | Q | 93.1 | Very high | 93.7 | Very high | 53 Ų | 53 | 83.6 Ų | 83.6 | 25% | 0.248 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -69.3 | -38.4 | 177.9 | -159.3 | 58.6 | 18.7 | 0 | 0 | 112.8 | K137 Q173 A174 E175 K179 I180 D181 | K137-Q177 HydrophobicContact CD-CB 3.83Å; K137-Q177 HydrophobicContact CD-CG 3.71Å; Q173-Q177 PolarHBondContact O-N 3.36Å; A174-Q177 PolarHBondContact O-N 2.93Å; E175-Q177 VanDerWaalsContact C-N 3.25Å; E175-Q177 PolarHBondContact O-N 3.04Å; Q177-K179 VanDerWaalsContact C-N 3.28Å; Q177-K179 PolarHBondContact O-N 3.05Å; Q177-I180 PolarHBondContact O-N 3.48Å; Q177-D181 WeakPolarHBondContact O-CB 3.29Å; Q177-D181 PolarHBondContact O-N 2.72Å |
| 178 | V | 93.1 | Very high | 93.5 | Very high | 8 Ų | 8 | 85.4 Ų | 85.4 | 5% | 0.048 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 170.8 | 174.5 | 0 | 0 | 0 | 0 | 111 | K137 M140 Q141 A174 E175 I180 D181 R182 | K137-V178 HydrophobicContact CG-CG2 3.57Å; M140-V178 HydrophobicContact CB-CG2 4.2Å; M140-V178 HydrophobicContact SD-CG2 4.5Å; Q141-V178 HydrophobicContact CG-CG2 4.49Å; A174-V178 WeakPolarHBondContact O-CG2 3.32Å; A174-V178 PolarHBondContact O-N 3.4Å; E175-V178 PolarHBondContact O-N 3.44Å; V178-I180 VanDerWaalsContact C-N 3.33Å; V178-I180 PolarHBondContact O-N 2.86Å; V178-D181 PolarHBondContact O-N 3.4Å; V178-R182 HydrophobicContact CG1-CG 4.32Å; V178-R182 WeakPolarHBondContact O-CB 3.28Å; V178-R182 VanDerWaalsContact O-CG 3.28Å; V178-R182 WeakPolarHBondContact O-CG 3.49Å; V178-R182 PolarHBondContact O-N 2.87Å |
| 179 | K | 93.8 | Very high | 93.2 | Very high | 109 Ų | 109 | 80 Ų | 80 | 47% | 0.474 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 177.8 | -71.8 | 168.5 | -176.2 | 161 | 0 | 111.3 | E175 A176 Q177 | E175-K179 WeakPolarHBondContact O-CG 3.43Å; E175-K179 PolarHBondContact O-N 3.47Å; E175-K179 IonicContact OE1-NZ 2.91Å; E175-K179 PolarHBondContact OE1-NZ 2.98Å; E175-K179 IonicContact OE2-NZ 3.26Å; E175-K179 PolarHBondContact OE2-NZ 3.2Å; A176-K179 WeakPolarHBondContact O-CB 3.45Å; A176-K179 PolarHBondContact O-N 2.83Å; Q177-K179 VanDerWaalsContact C-N 3.28Å; Q177-K179 PolarHBondContact O-N 3.05Å |
| 180 | I | 91.8 | Very high | 93 | Very high | 78 Ų | 78 | 77 Ų | 77 | 40% | 0.4 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.1 | -49.3 | 174.6 | -67.7 | 165.3 | 0 | 0 | 0 | 110.5 | A176 Q177 V178 R182 K183 | A176-I180 WeakPolarHBondContact O-CG1 3.44Å; A176-I180 PolarHBondContact O-N 2.81Å; Q177-I180 PolarHBondContact O-N 3.48Å; V178-I180 VanDerWaalsContact C-N 3.33Å; V178-I180 PolarHBondContact O-N 2.86Å; I180-R182 PolarHBondContact O-N 2.73Å; I180-K183 WeakPolarHBondContact O-CB 3.48Å; I180-K183 PolarHBondContact O-N 2.63Å |
| 181 | D | 89.8 | Confident | 92.8 | Very high | 8 Ų | 8 | 78.4 Ų | 78.4 | 4% | 0.043 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.7 | -28 | -178.1 | -71 | -25.7 | 0 | 0 | 0 | 112.3 | K137 Q177 V178 K183 K184 R189 | K137-D181 IonicContact NZ-OD2 2.88Å; K137-D181 PolarHBondContact NZ-OD2 3.06Å; K137-D181 VanDerWaalsContact NZ-OD2 3.14Å; Q177-D181 WeakPolarHBondContact O-CB 3.29Å; Q177-D181 PolarHBondContact O-N 2.72Å; V178-D181 PolarHBondContact O-N 3.4Å; D181-K183 VanDerWaalsContact C-N 3.27Å; D181-K183 PolarHBondContact O-N 3.15Å; D181-K184 PolarHBondContact O-N 3.31Å; D181-K184 IonicContact OD1-NZ 3.08Å; D181-K184 PolarHBondContact OD1-NZ 3.06Å; D181-K184 VanDerWaalsContact OD1-NZ 3.08Å; D181-R189 WeakPolarHBondContact O-CD 3.39Å |
| 182 | R | 90.3 | Very high | 92.6 | Very high | 166 Ų | 166 | 76.5 Ų | 76.5 | 63% | 0.626 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -20.8 | 173.7 | -78.2 | 177.2 | -177.4 | -170.2 | 3.1 | 114.2 | V178 I180 K184 | V178-R182 HydrophobicContact CG1-CG 4.32Å; V178-R182 WeakPolarHBondContact O-CB 3.28Å; V178-R182 VanDerWaalsContact O-CG 3.28Å; V178-R182 WeakPolarHBondContact O-CG 3.49Å; V178-R182 PolarHBondContact O-N 2.87Å; I180-R182 PolarHBondContact O-N 2.73Å; R182-K184 VanDerWaalsContact C-N 3.33Å |
| 183 | K | 93 | Very high | 92.5 | Very high | 183 Ų | 183 | 71.1 Ų | 71.1 | 80% | 0.796 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -21.5 | 176.5 | -64 | 178.2 | -179.5 | -179.6 | 0 | 112.8 | I180 D181 | I180-K183 WeakPolarHBondContact O-CB 3.48Å; I180-K183 PolarHBondContact O-N 2.63Å; D181-K183 VanDerWaalsContact C-N 3.27Å; D181-K183 PolarHBondContact O-N 3.15Å |
| 184 | K | 92.6 | Very high | 92.4 | Very high | 62 Ų | 62 | 67.2 Ų | 67.2 | 27% | 0.27 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -77.6 | 153.8 | 179 | -60 | 179.6 | -174.5 | 155.9 | 0 | 111.1 | D181 R182 R189 L192 | D181-K184 PolarHBondContact O-N 3.31Å; D181-K184 IonicContact OD1-NZ 3.08Å; D181-K184 PolarHBondContact OD1-NZ 3.06Å; D181-K184 VanDerWaalsContact OD1-NZ 3.08Å; R182-K184 VanDerWaalsContact C-N 3.33Å; K184-R189 HydrophobicContact CB-CB 4.4Å; K184-L192 HydrophobicContact CD-CD1 3.47Å; K184-L192 VanDerWaalsContact CD-CD1 3.47Å |
| 185 | D | 93.5 | Very high | 92.5 | Very high | 86 Ų | 86 | 68.6 Ų | 68.6 | 46% | 0.46 | 33% | 0.325 | S | S | . | . | trans | -67.6 | 160.8 | 177.4 | 87.6 | 79.4 | 0 | 0 | 0 | 111.5 | T187 E188 R189 | D185-T187 PolarHBondContact O-N 3.21Å; D185-T187 WeakPolarHBondContact OD1-CA 3.37Å; D185-T187 WeakPolarHBondContact OD1-CB 3.17Å; D185-T187 PolarHBondContact OD1-N 2.8Å; D185-T187 PolarHBondContact OD1-OG1 2.86Å; D185-E188 PolarHBondContact OD1-N 3.41Å; D185-E188 WeakPolarHBondContact OD2-CB 3.48Å; D185-R189 VanDerWaalsContact O-CB 3.25Å; D185-R189 WeakPolarHBondContact O-CB 3.5Å; D185-R189 PolarHBondContact O-N 3.4Å | ||
| 186 | K | 89.4 | Confident | 92.5 | Very high | 144 Ų | 144 | 66 Ų | 66 | 63% | 0.626 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.1 | -33.8 | -173.8 | -176.3 | 178.3 | 179.4 | 178.6 | 0 | 112.8 | K190 | K186-K190 WeakPolarHBondContact O-CG 3.48Å; K186-K190 PolarHBondContact O-N 3.25Å |
| 187 | T | 88.3 | Confident | 92.6 | Very high | 71 Ų | 71 | 65 Ų | 65 | 44% | 0.436 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -76.6 | -52.9 | -177.1 | -50 | 0 | 0 | 0 | 0 | 109.9 | P57 D185 R189 K190 I191 | P57-T187 HydrophobicContact CB-CG2 4.14Å; P57-T187 HydrophobicContact CG-CG2 3.59Å; D185-T187 PolarHBondContact O-N 3.21Å; D185-T187 WeakPolarHBondContact OD1-CA 3.37Å; D185-T187 WeakPolarHBondContact OD1-CB 3.17Å; D185-T187 PolarHBondContact OD1-N 2.8Å; D185-T187 PolarHBondContact OD1-OG1 2.86Å; T187-R189 PolarHBondContact O-N 3.09Å; T187-K190 WeakPolarHBondContact O-CB 3.41Å; T187-K190 PolarHBondContact O-N 3.11Å; T187-K190 VanDerWaalsContact O-N 3.14Å; T187-I191 WeakPolarHBondContact O-CG1 3.48Å; T187-I191 PolarHBondContact O-N 2.67Å |
| 188 | E | 90.6 | Very high | 92.8 | Very high | 90 Ų | 90 | 62.5 Ų | 62.5 | 42% | 0.421 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.6 | -48.5 | 176.7 | -179.1 | -174.4 | -160.5 | 0 | 0 | 111.4 | D185 K190 I191 L192 | D185-E188 PolarHBondContact OD1-N 3.41Å; D185-E188 WeakPolarHBondContact OD2-CB 3.48Å; E188-K190 VanDerWaalsContact C-N 3.28Å; E188-K190 PolarHBondContact O-N 2.92Å; E188-I191 PolarHBondContact O-N 3.46Å; E188-L192 HydrophobicContact CG-CD1 3.95Å; E188-L192 HydrophobicContact CG-CG 4.43Å; E188-L192 PolarHBondContact O-N 3.05Å |
| 189 | R | 91.8 | Very high | 93.1 | Very high | 46 Ų | 46 | 62.2 Ų | 62.2 | 17% | 0.174 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.4 | -40.4 | 177 | 179.7 | 175.9 | 54.5 | -166.7 | -9.4 | 112.6 | D181 K184 D185 T187 I191 L192 D193 | D181-R189 WeakPolarHBondContact O-CD 3.39Å; K184-R189 HydrophobicContact CB-CB 4.4Å; D185-R189 VanDerWaalsContact O-CB 3.25Å; D185-R189 WeakPolarHBondContact O-CB 3.5Å; D185-R189 PolarHBondContact O-N 3.4Å; T187-R189 PolarHBondContact O-N 3.09Å; R189-I191 VanDerWaalsContact C-N 3.33Å; R189-I191 PolarHBondContact O-N 3.03Å; R189-L192 PolarHBondContact O-N 3.13Å; R189-D193 WeakPolarHBondContact O-CB 3.37Å; R189-D193 PolarHBondContact O-N 3.18Å |
| 190 | K | 90.1 | Very high | 93.2 | Very high | 77 Ų | 77 | 57.1 Ų | 57.1 | 34% | 0.335 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.3 | -38 | 178.3 | -82.7 | -179 | 173.9 | -166.1 | 0 | 112.3 | K186 T187 E188 S194 | K186-K190 WeakPolarHBondContact O-CG 3.48Å; K186-K190 PolarHBondContact O-N 3.25Å; T187-K190 WeakPolarHBondContact O-CB 3.41Å; T187-K190 PolarHBondContact O-N 3.11Å; T187-K190 VanDerWaalsContact O-N 3.14Å; E188-K190 VanDerWaalsContact C-N 3.28Å; E188-K190 PolarHBondContact O-N 2.92Å; K190-S194 PolarHBondContact O-N 3.3Å; K190-S194 PolarHBondContact O-OG 2.92Å |
| 191 | I | 91.5 | Very high | 93.5 | Very high | 34 Ų | 34 | 53.6 Ų | 53.6 | 17% | 0.174 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.5 | -49.7 | 178.6 | -61.3 | 176.8 | 0 | 0 | 0 | 109.2 | P57 T187 E188 R189 D193 S194 Q195 | P57-I191 HydrophobicContact CG-CD1 3.89Å; P57-I191 HydrophobicContact CG-CG1 4.17Å; T187-I191 WeakPolarHBondContact O-CG1 3.48Å; T187-I191 PolarHBondContact O-N 2.67Å; E188-I191 PolarHBondContact O-N 3.46Å; R189-I191 VanDerWaalsContact C-N 3.33Å; R189-I191 PolarHBondContact O-N 3.03Å; I191-D193 PolarHBondContact O-N 3.25Å; I191-S194 PolarHBondContact O-N 2.87Å; I191-S194 PolarHBondContact O-OG 3.07Å; I191-Q195 HydrophobicContact CG2-CG 4.41Å; I191-Q195 WeakPolarHBondContact O-CG 3.29Å; I191-Q195 PolarHBondContact O-N 3.23Å |
| 192 | L | 93.1 | Very high | 93.9 | Very high | 52 Ų | 52 | 53.7 Ų | 53.7 | 27% | 0.272 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 179.1 | -69 | 174.5 | 0 | 0 | 0 | 112.5 | K184 E188 R189 S194 Q195 E196 | K184-L192 HydrophobicContact CD-CD1 3.47Å; K184-L192 VanDerWaalsContact CD-CD1 3.47Å; E188-L192 HydrophobicContact CG-CD1 3.95Å; E188-L192 HydrophobicContact CG-CG 4.43Å; E188-L192 PolarHBondContact O-N 3.05Å; R189-L192 PolarHBondContact O-N 3.13Å; L192-S194 PolarHBondContact O-N 3.05Å; L192-Q195 PolarHBondContact O-N 2.82Å; L192-E196 WeakPolarHBondContact O-CB 3.43Å; L192-E196 PolarHBondContact O-N 3.28Å |
| 193 | D | 93.3 | Very high | 94.2 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.5 | -40.2 | 174.4 | -69 | -25.2 | 0 | 0 | 0 | 111.1 | R145 L146 R189 I191 R197 | R145-D193 IonicContact CZ-OD2 3.37Å; R145-D193 VanDerWaalsContact CZ-OD2 3.26Å; R145-D193 IonicContact NH1-OD2 3.1Å; R145-D193 PolarHBondContact NH1-OD2 3.32Å; R145-D193 IonicContact NH2-OD2 2.84Å; R145-D193 PolarHBondContact NH2-OD2 3.45Å; L146-D193 HydrophobicContact CD2-CB 4.24Å; R189-D193 WeakPolarHBondContact O-CB 3.37Å; R189-D193 PolarHBondContact O-N 3.18Å; I191-D193 PolarHBondContact O-N 3.25Å; D193-R197 WeakPolarHBondContact O-CB 3.33Å; D193-R197 PolarHBondContact O-N 3.27Å |
| 194 | S | 95 | Very high | 94.4 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -74.3 | -34.4 | -179.5 | 70.7 | 0 | 0 | 0 | 0 | 113.2 | F95 K190 I191 L192 A198 | F95-S194 WeakPolarHBondContact CE2-O 3.44Å; K190-S194 PolarHBondContact O-N 3.3Å; K190-S194 PolarHBondContact O-OG 2.92Å; I191-S194 PolarHBondContact O-N 2.87Å; I191-S194 PolarHBondContact O-OG 3.07Å; L192-S194 PolarHBondContact O-N 3.05Å; S194-A198 WeakPolarHBondContact O-CB 3.34Å; S194-A198 PolarHBondContact O-N 3.29Å |
| 195 | Q | 96.8 | Very high | 94.6 | Very high | 29 Ų | 29 | 38.9 Ų | 38.9 | 14% | 0.136 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.3 | -43.5 | 175.5 | -76.8 | 179.1 | -25.3 | 0 | 0 | 111.6 | F95 Q114 F118 I191 L192 A198 F199 | F95-Q195 HydrophobicContact CE1-CG 4.18Å; F95-Q195 HydrophobicContact CZ-CB 4.46Å; F95-Q195 HydrophobicContact CZ-CG 3.85Å; Q114-Q195 PolarHBondContact NE2-O 3.36Å; Q114-Q195 VanDerWaalsContact OE1-CB 3.29Å; F118-Q195 HydrophobicContact CD2-CB 4.24Å; F118-Q195 HydrophobicContact CE2-CB 4.11Å; I191-Q195 HydrophobicContact CG2-CG 4.41Å; I191-Q195 WeakPolarHBondContact O-CG 3.29Å; I191-Q195 PolarHBondContact O-N 3.23Å; L192-Q195 PolarHBondContact O-N 2.82Å; Q195-A198 PolarHBondContact O-N 3.08Å; Q195-F199 PolarHBondContact O-N 2.72Å |
| 196 | E | 96.5 | Very high | 94.7 | Very high | 18 Ų | 18 | 36.1 Ų | 36.1 | 8% | 0.084 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.1 | -38.4 | 175.2 | -171 | -175.6 | -151.5 | 0 | 0 | 111.6 | F118 Y134 K137 L192 F199 W200 Y234 | F118-E196 HydrophobicContact CZ-CB 4.47Å; Y134-E196 HydrophobicContact CD2-CG 3.86Å; Y134-E196 HydrophobicContact CE2-CB 4.49Å; Y134-E196 HydrophobicContact CE2-CG 3.84Å; K137-E196 WeakPolarHBondContact CE-OE2 3.24Å; K137-E196 IonicContact NZ-OE1 3.46Å; K137-E196 PolarHBondContact NZ-OE1 3.24Å; K137-E196 IonicContact NZ-OE2 2.7Å; K137-E196 PolarHBondContact NZ-OE2 3.22Å; L192-E196 WeakPolarHBondContact O-CB 3.43Å; L192-E196 PolarHBondContact O-N 3.28Å; E196-F199 WeakPolarHBondContact O-CB 3.47Å; E196-F199 PolarHBondContact O-N 2.86Å; E196-W200 PolarHBondContact O-N 2.78Å; E196-W200 VanDerWaalsContact O-N 3.17Å; E196-Y234 VanDerWaalsContact OE1-CE1 3.31Å; E196-Y234 WeakPolarHBondContact OE1-CE1 3.34Å; E196-Y234 PolarHBondContact OE1-OH 2.8Å |
| 197 | R | 97.3 | Very high | 95.1 | Very high | 27 Ų | 27 | 33.9 Ų | 33.9 | 10% | 0.102 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.5 | -51.6 | 170.4 | -179.2 | -173.6 | 61.8 | 82.7 | -14.6 | 111.4 | P96 I97 D99 Y134 D193 F199 W200 D201 | P96-R197 PolarHBondContact O-NH2 3.39Å; I97-R197 PolarHBondContact O-NH2 3.04Å; I97-R197 VanDerWaalsContact O-NH2 3.08Å; D99-R197 PolarHBondContact O-NH1 3.19Å; D99-R197 PolarHBondContact O-NH2 3.13Å; Y134-R197 VanDerWaalsContact OH-CA 3.27Å; Y134-R197 WeakPolarHBondContact OH-CA 3.45Å; Y134-R197 WeakPolarHBondContact OH-CB 3.48Å; D193-R197 WeakPolarHBondContact O-CB 3.33Å; D193-R197 PolarHBondContact O-N 3.27Å; R197-F199 VanDerWaalsContact C-N 3.27Å; R197-F199 PolarHBondContact O-N 3.46Å; R197-W200 CarbonylContact O-C 3.57Å; R197-W200 PolarHBondContact O-N 3.37Å; R197-D201 IonicContact CZ-OD2 2.73Å; R197-D201 IonicContact NH1-OD2 3.14Å; R197-D201 PolarHBondContact NH1-OD2 3.35Å; R197-D201 VanDerWaalsContact O-CG 3.3Å; R197-D201 PolarHBondContact O-N 3.06Å |
| 198 | A | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.1 | -33.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | F95 S194 Q195 D201 V202 | F95-A198 HydrophobicContact CB-CB 3.62Å; F95-A198 HydrophobicContact CD1-CB 3.38Å; F95-A198 HydrophobicContact CD2-CB 3.58Å; F95-A198 HydrophobicContact CE1-CB 3.83Å; F95-A198 HydrophobicContact CE2-CB 4Å; F95-A198 HydrophobicContact CG-CB 3.23Å; F95-A198 HydrophobicContact CZ-CB 4.12Å; S194-A198 WeakPolarHBondContact O-CB 3.34Å; S194-A198 PolarHBondContact O-N 3.29Å; Q195-A198 PolarHBondContact O-N 3.08Å; A198-D201 PolarHBondContact O-N 3.1Å; A198-V202 PolarHBondContact O-N 3.35Å |
| 199 | F | 98 | Very high | 95.7 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 1% | 0.013 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.4 | -48.1 | 170.5 | 169.9 | -93.8 | 0 | 0 | 0 | 111.2 | F118 W124 P126 Q195 E196 R197 D201 V202 H203 V233 | F118-F199 HydrophobicContact CB-CB 4.31Å; F118-F199 HydrophobicContact CB-CD2 4.05Å; F118-F199 HydrophobicContact CD1-CB 3.78Å; F118-F199 HydrophobicContact CD1-CD1 4.46Å; F118-F199 AromaticContact CD1-CD2 3.48Å; F118-F199 HydrophobicContact CD1-CD2 3.48Å; F118-F199 VanDerWaalsContact CD1-CD2 3.48Å; F118-F199 HydrophobicContact CD1-CE2 4.16Å; F118-F199 AromaticContact CD1-CG 3.65Å; F118-F199 HydrophobicContact CD1-CG 3.65Å; F118-F199 HydrophobicContact CE1-CB 4.25Å; F118-F199 HydrophobicContact CE1-CD2 4.32Å; F118-F199 HydrophobicContact CE1-CG 4.13Å; F118-F199 HydrophobicContact CG-CB 4.06Å; F118-F199 HydrophobicContact CG-CD2 4.14Å; F118-F199 HydrophobicContact CG-CG 4.34Å; W124-F199 HydrophobicContact CB-CE2 4.03Å; W124-F199 HydrophobicContact CB-CZ 4.31Å; W124-F199 AromaticContact CD1-CE2 3.83Å; W124-F199 AromaticContact CD2-CE2 3.97Å; W124-F199 HydrophobicContact CD2-CE2 3.97Å; W124-F199 HydrophobicContact CD2-CZ 4.27Å; W124-F199 HydrophobicContact CE3-CZ 4.45Å; W124-F199 AromaticContact CG-CE2 3.7Å; W124-F199 HydrophobicContact CG-CE2 3.7Å; W124-F199 HydrophobicContact CG-CZ 4.22Å; P126-F199 HydrophobicContact CB-CE1 4.17Å; P126-F199 HydrophobicContact CB-CZ 4.04Å; P126-F199 HydrophobicContact CG-CE1 4.23Å; P126-F199 HydrophobicContact CG-CZ 3.94Å; Q195-F199 PolarHBondContact O-N 2.72Å; E196-F199 WeakPolarHBondContact O-CB 3.47Å; E196-F199 PolarHBondContact O-N 2.86Å; R197-F199 VanDerWaalsContact C-N 3.27Å; R197-F199 PolarHBondContact O-N 3.46Å; F199-D201 VanDerWaalsContact C-N 3.34Å; F199-D201 PolarHBondContact O-N 2.98Å; F199-V202 WeakPolarHBondContact O-CB 3.49Å; F199-V202 PolarHBondContact O-N 3.19Å; F199-H203 AromaticContact CD2-CD2 3.62Å; F199-H203 AromaticContact CD2-NE2 3.79Å; F199-H203 AromaticContact CE1-CD2 3.86Å; F199-H203 AromaticContact CE2-CD2 3.28Å; F199-H203 WeakPolarHBondContact CE2-CD2 3.49Å; F199-H203 AromaticContact CE2-NE2 3.21Å; F199-H203 WeakPolarHBondContact CE2-NE2 3.29Å; F199-H203 AromaticContact CZ-CD2 3.41Å; F199-H203 VanDerWaalsContact CZ-CD2 3.41Å; F199-H203 WeakPolarHBondContact CZ-CD2 3.35Å; F199-H203 AromaticContact CZ-NE2 3.65Å; F199-H203 PolarHBondContact O-CD2 2.74Å; F199-H203 VanDerWaalsContact O-CD2 3.25Å; F199-H203 PolarHBondContact O-N 2.94Å; F199-V233 HydrophobicContact CE1-CG2 3.72Å; F199-V233 HydrophobicContact CZ-CG2 3.71Å |
| 200 | W | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.3 | -29.9 | 178 | -73.3 | 114 | 0 | 0 | 0 | 113.4 | P126 D130 Y131 Y134 E196 R197 V202 H203 R204 Y234 | P126-W200 HydrophobicContact CB-CH2 3.63Å; P126-W200 HydrophobicContact CB-CZ3 3.79Å; P126-W200 HydrophobicContact CG-CH2 4.36Å; P126-W200 HydrophobicContact CG-CZ3 4.02Å; D130-W200 HydrophobicContact CB-CH2 3.77Å; D130-W200 HydrophobicContact CB-CZ2 3.89Å; Y131-W200 VanDerWaalsContact CA-CH2 3.49Å; Y131-W200 AromaticContact CD2-CD2 3.58Å; Y131-W200 HydrophobicContact CD2-CD2 3.58Å; Y131-W200 AromaticContact CD2-CE3 3.42Å; Y131-W200 HydrophobicContact CD2-CE3 3.42Å; Y131-W200 VanDerWaalsContact CD2-CE3 3.42Å; Y131-W200 HydrophobicContact CD2-CG 4.11Å; Y131-W200 HydrophobicContact CD2-CH2 4.23Å; Y131-W200 HydrophobicContact CD2-CZ2 4.39Å; Y131-W200 AromaticContact CD2-CZ3 3.78Å; Y131-W200 HydrophobicContact CD2-CZ3 3.78Å; Y131-W200 HydrophobicContact CE2-CB 4.29Å; Y131-W200 HydrophobicContact CE2-CD2 4.16Å; Y131-W200 HydrophobicContact CE2-CE3 4.09Å; Y131-W200 HydrophobicContact CE2-CG 4.26Å; Y131-W200 HydrophobicContact CG-CE3 4.04Å; Y131-W200 HydrophobicContact CG-CH2 4.33Å; Y131-W200 AromaticContact CG-CZ3 3.94Å; Y131-W200 HydrophobicContact CG-CZ3 3.94Å; Y131-W200 VanDerWaalsContact N-CH2 3.3Å; Y134-W200 HydrophobicContact CD1-CB 4.36Å; Y134-W200 AromaticContact CD1-CD1 3.43Å; Y134-W200 VanDerWaalsContact CD1-CD1 3.43Å; Y134-W200 HydrophobicContact CD1-CD2 4.38Å; Y134-W200 AromaticContact CD1-CG 3.81Å; Y134-W200 HydrophobicContact CD1-CG 3.81Å; Y134-W200 AromaticContact CD1-NE1 3.78Å; Y134-W200 AromaticContact CD2-CD1 3.39Å; Y134-W200 HydrophobicContact CD2-CG 4.48Å; Y134-W200 AromaticContact CD2-NE1 3.49Å; Y134-W200 HydrophobicContact CE1-CB 4.06Å; Y134-W200 AromaticContact CE1-CD1 3.64Å; Y134-W200 AromaticContact CE1-CG 3.94Å; Y134-W200 HydrophobicContact CE1-CG 3.94Å; Y134-W200 AromaticContact CE2-CD1 3.59Å; Y134-W200 AromaticContact CG-CD1 3.3Å; Y134-W200 HydrophobicContact CG-CG 4.09Å; Y134-W200 AromaticContact CG-NE1 3.25Å; Y134-W200 VanDerWaalsContact CG-NE1 3.25Å; Y134-W200 AromaticContact CZ-CD1 3.7Å; E196-W200 PolarHBondContact O-N 2.78Å; E196-W200 VanDerWaalsContact O-N 3.17Å; R197-W200 CarbonylContact O-C 3.57Å; R197-W200 PolarHBondContact O-N 3.37Å; W200-V202 PolarHBondContact O-N 3.1Å; W200-H203 HydrophobicContact CE3-CB 4.3Å; W200-H203 PolarHBondContact O-N 3.1Å; W200-R204 HydrophobicContact CE3-CB 4.49Å; W200-R204 HydrophobicContact CE3-CG 3.8Å; W200-R204 HydrophobicContact CZ3-CG 4.06Å; W200-R204 CarbonylContact O-C 3.57Å; W200-R204 WeakPolarHBondContact O-CA 3.47Å; W200-R204 PolarHBondContact O-N 2.85Å; W200-Y234 HydrophobicContact CZ2-CE2 4.29Å |
| 201 | D | 98.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.4 | -25 | 173.9 | -65.4 | -27.4 | 0 | 0 | 0 | 112.4 | H100 L102 R197 A198 F199 P205 | H100-D201 IonicContact CE1-OD1 2.67Å; H100-D201 IonicContact CG-OD1 2.97Å; H100-D201 IonicContact ND1-OD1 3.61Å; H100-D201 PolarHBondContact ND1-OD1 3.48Å; H100-D201 IonicContact ND1-OD2 2.64Å; L102-D201 HydrophobicContact CD1-CB 3.88Å; L102-D201 HydrophobicContact CD2-CB 4.01Å; L102-D201 HydrophobicContact CG-CB 3.91Å; R197-D201 IonicContact CZ-OD2 2.73Å; R197-D201 IonicContact NH1-OD2 3.14Å; R197-D201 PolarHBondContact NH1-OD2 3.35Å; R197-D201 VanDerWaalsContact O-CG 3.3Å; R197-D201 PolarHBondContact O-N 3.06Å; A198-D201 PolarHBondContact O-N 3.1Å; F199-D201 VanDerWaalsContact C-N 3.34Å; F199-D201 PolarHBondContact O-N 2.98Å; D201-P205 VanDerWaalsContact O-CA 3.25Å; D201-P205 WeakPolarHBondContact O-CA 3.43Å; D201-P205 WeakPolarHBondContact O-CB 3.41Å |
| 202 | V | 97.4 | Very high | 96.3 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 6% | 0.055 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -77.5 | -49.8 | 170.2 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | G92 L102 A198 F199 W200 T213 | G92-V202 VanDerWaalsContact CA-CG2 3.45Å; L102-V202 HydrophobicContact CD1-CB 4.45Å; L102-V202 HydrophobicContact CD1-CG2 3.47Å; L102-V202 VanDerWaalsContact CD1-CG2 3.47Å; A198-V202 PolarHBondContact O-N 3.35Å; F199-V202 WeakPolarHBondContact O-CB 3.49Å; F199-V202 PolarHBondContact O-N 3.19Å; W200-V202 PolarHBondContact O-N 3.1Å; V202-T213 HydrophobicContact CG1-CG2 3.87Å |
| 203 | H | 96.1 | Very high | 96.1 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 7% | 0.069 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -85.3 | -17.9 | -169.7 | -72.1 | -76.2 | 0 | 0 | 0 | 114.5 | P126 F199 W200 | P126-H203 WeakPolarHBondContact CD-ND1 3.35Å; P126-H203 HydrophobicContact CG-CB 3.65Å; P126-H203 VanDerWaalsContact CG-CG 3.48Å; F199-H203 AromaticContact CD2-CD2 3.62Å; F199-H203 AromaticContact CD2-NE2 3.79Å; F199-H203 AromaticContact CE1-CD2 3.86Å; F199-H203 AromaticContact CE2-CD2 3.28Å; F199-H203 WeakPolarHBondContact CE2-CD2 3.49Å; F199-H203 AromaticContact CE2-NE2 3.21Å; F199-H203 WeakPolarHBondContact CE2-NE2 3.29Å; F199-H203 AromaticContact CZ-CD2 3.41Å; F199-H203 VanDerWaalsContact CZ-CD2 3.41Å; F199-H203 WeakPolarHBondContact CZ-CD2 3.35Å; F199-H203 AromaticContact CZ-NE2 3.65Å; F199-H203 PolarHBondContact O-CD2 2.74Å; F199-H203 VanDerWaalsContact O-CD2 3.25Å; F199-H203 PolarHBondContact O-N 2.94Å; W200-H203 HydrophobicContact CE3-CB 4.3Å; W200-H203 PolarHBondContact O-N 3.1Å |
| 204 | R | 96.8 | Very high | 95.9 | Very high | 53 Ų | 53 | 41.4 Ų | 41.4 | 20% | 0.2 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -140.3 | 65 | 177.7 | -63.3 | -64.1 | -176.6 | -74.9 | -3.6 | 108 | P126 N128 Y131 W200 | P126-R204 PolarHBondContact O-NH2 2.91Å; N128-R204 PolarHBondContact OD1-NH2 3.02Å; Y131-R204 HydrophobicContact CD1-CG 3.79Å; Y131-R204 HydrophobicContact CD2-CG 4.02Å; Y131-R204 HydrophobicContact CE1-CB 4.02Å; Y131-R204 HydrophobicContact CE1-CG 3.8Å; Y131-R204 HydrophobicContact CE2-CB 4.04Å; Y131-R204 HydrophobicContact CE2-CG 4.03Å; Y131-R204 HydrophobicContact CG-CG 3.92Å; W200-R204 HydrophobicContact CE3-CB 4.49Å; W200-R204 HydrophobicContact CE3-CG 3.8Å; W200-R204 HydrophobicContact CZ3-CG 4.06Å; W200-R204 CarbonylContact O-C 3.57Å; W200-R204 WeakPolarHBondContact O-CA 3.47Å; W200-R204 PolarHBondContact O-N 2.85Å |
| 205 | P | 96.9 | Very high | 95.4 | Very high | 32 Ų | 32 | 43.7 Ų | 43.7 | 21% | 0.208 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 157.4 | -170.4 | 28.4 | -36.2 | 0 | 0 | 0 | 112.3 | D201 C209 N211 | D201-P205 VanDerWaalsContact O-CA 3.25Å; D201-P205 WeakPolarHBondContact O-CA 3.43Å; D201-P205 WeakPolarHBondContact O-CB 3.41Å; P205-C209 HydrophobicContact CB-CB 4.15Å; P205-N211 HydrophobicContact CG-CB 4.09Å |
| 206 | V | 97.1 | Very high | 94.9 | Very high | 29 Ų | 29 | 45.2 Ų | 45.2 | 18% | 0.176 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 135.1 | 171.6 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | H100 V101 Y151 G208 C209 | H100-V206 HydrophobicContact CB-CG2 3.57Å; V101-V206 HydrophobicContact CG2-CB 4.48Å; V101-V206 HydrophobicContact CG2-CG2 4.23Å; Y151-V206 HydrophobicContact CE1-CG1 4.46Å; Y151-V206 HydrophobicContact CE1-CG2 3.99Å; V206-G208 PolarHBondContact O-N 3.12Å; V206-C209 VanDerWaalsContact O-CB 3.26Å; V206-C209 WeakPolarHBondContact O-CB 3.49Å; V206-C209 PolarHBondContact O-N 3.08Å |
| 207 | P | 97.1 | Very high | 94.4 | Very high | 97 Ų | 97 | 50.9 Ų | 50.9 | 63% | 0.63 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 131 | 176.8 | -27.8 | 35.2 | 0 | 0 | 0 | 112.3 | Y151 | Y151-P207 HydrophobicContact CD2-CG 4.46Å; Y151-P207 HydrophobicContact CG-CG 4.32Å |
| 208 | G | 95.3 | Very high | 93.7 | Very high | 88 Ų | 88 | 57.9 Ų | 57.9 | 91% | 0.907 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.8 | -16.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | V206 | V206-G208 PolarHBondContact O-N 3.12Š|
| 209 | C | 96.3 | Very high | 92.8 | Very high | 49 Ų | 49 | 61 Ų | 61 | 33% | 0.331 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -78.1 | 148.8 | 170.3 | -67.7 | 0 | 0 | 0 | 0 | 111.5 | P205 V206 N211 | P205-C209 HydrophobicContact CB-CB 4.15Å; V206-C209 VanDerWaalsContact O-CB 3.26Å; V206-C209 WeakPolarHBondContact O-CB 3.49Å; V206-C209 PolarHBondContact O-N 3.08Å; C209-N211 PolarHBondContact O-N 3.38Å |
| 210 | V | 95.8 | Very high | 91.7 | Very high | 125 Ų | 125 | 63.2 Ų | 63.2 | 76% | 0.758 | 35% | 0.353 | S | S | * | . | trans | -67 | 129.2 | 173.6 | 178.2 | 0 | 0 | 0 | 0 | 109.6 | T212 | V210-T212 PolarHBondContact O-N 3.04Š| ||
| 211 | N | 95 | Very high | 90.2 | Very high | 42 Ų | 42 | 73.8 Ų | 73.8 | 23% | 0.225 | 39% | 0.393 | C | S | . | . | trans | -80.9 | 100.4 | 171.9 | -177.3 | -0.9 | 0 | 0 | 0 | 110.3 | P205 C209 T213 E214 | P205-N211 HydrophobicContact CG-CB 4.09Å; C209-N211 PolarHBondContact O-N 3.38Å; N211-T213 PolarHBondContact O-N 2.86Å; N211-T213 VanDerWaalsContact O-N 3.17Å; N211-T213 WeakPolarHBondContact OD1-CB 3.28Å; N211-T213 PolarHBondContact OD1-N 3.34Å; N211-T213 VanDerWaalsContact OD1-N 3.12Å; N211-T213 PolarHBondContact OD1-OG1 3.34Å; N211-E214 HydrophobicContact CB-CG 3.97Å; N211-E214 WeakPolarHBondContact CB-OE1 3.47Å; N211-E214 PolarHBondContact ND2-OE1 3.17Å; N211-E214 PolarHBondContact O-N 3.31Å | ||
| 212 | T | 93.9 | Very high | 88.7 | Confident | 26 Ų | 26 | 80.9 Ų | 80.9 | 16% | 0.16 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -11.8 | -177.5 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | A90 V210 | A90-T212 HydrophobicContact CB-CG2 3.87Å; A90-T212 WeakPolarHBondContact O-CG2 3.36Å; A90-T212 PolarHBondContact O-OG1 3.47Å; V210-T212 PolarHBondContact O-N 3.04Å |
| 213 | T | 90.4 | Very high | 87.1 | Confident | 61 Ų | 61 | 83.8 Ų | 83.8 | 37% | 0.374 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -11.3 | 176.8 | 73.7 | 0 | 0 | 0 | 0 | 113.2 | V202 N211 | V202-T213 HydrophobicContact CG1-CG2 3.87Å; N211-T213 PolarHBondContact O-N 2.86Å; N211-T213 VanDerWaalsContact O-N 3.17Å; N211-T213 WeakPolarHBondContact OD1-CB 3.28Å; N211-T213 PolarHBondContact OD1-N 3.34Å; N211-T213 VanDerWaalsContact OD1-N 3.12Å; N211-T213 PolarHBondContact OD1-OG1 3.34Å |
| 214 | E | 89.5 | Confident | 85.1 | Confident | 145 Ų | 145 | 91.8 Ų | 91.8 | 68% | 0.678 | 47% | 0.469 | S | S | * | . | trans | -69 | 137.8 | 176 | -71.3 | 177.1 | -166.9 | 0 | 0 | 111.5 | N211 | N211-E214 HydrophobicContact CB-CG 3.97Å; N211-E214 WeakPolarHBondContact CB-OE1 3.47Å; N211-E214 PolarHBondContact ND2-OE1 3.17Å; N211-E214 PolarHBondContact O-N 3.31Å | ||
| 215 | M | 84 | Confident | 82.9 | Confident | 63 Ų | 63 | 92.9 Ų | 92.9 | 31% | 0.31 | 48% | 0.479 | S | S | . | . | trans | -126.3 | 139.5 | -175.6 | -178.9 | 164.4 | 51.2 | 0 | 0 | 111.1 | I217 K219 C220 L223 | M215-I217 PolarHBondContact O-N 3.48Å; M215-K219 HydrophobicContact CG-CB 3.59Å; M215-K219 HydrophobicContact CG-CD 4.27Å; M215-K219 HydrophobicContact SD-CB 3.78Å; M215-C220 HydrophobicContact CE-CB 4.37Å; M215-C220 VanDerWaalsContact CE-SG 3.52Å; M215-L223 HydrophobicContact CE-CD1 3.19Å; M215-L223 HydrophobicContact SD-CD1 3.79Å | ||
| 216 | D | 86.2 | Confident | 80.5 | Confident | 62 Ų | 62 | 97.4 Ų | 97.4 | 33% | 0.332 | 51% | 0.508 | S | S | . | . | trans | -54.4 | 132 | 174.2 | -175.2 | -56.2 | 0 | 0 | 0 | 110.6 | R218 K219 C220 | D216-R218 PolarHBondContact O-N 2.95Å; D216-R218 WeakPolarHBondContact OD1-CA 3.47Å; D216-R218 WeakPolarHBondContact OD1-CB 3.36Å; D216-R218 WeakPolarHBondContact OD1-CG 3.39Å; D216-R218 IonicContact OD1-CZ 3.9Å; D216-R218 PolarHBondContact OD1-N 3.03Å; D216-R218 IonicContact OD1-NE 3.77Å; D216-R218 PolarHBondContact OD1-NE 3.16Å; D216-R218 VanDerWaalsContact OD1-NE 3.08Å; D216-R218 IonicContact OD1-NH2 3.27Å; D216-R218 IonicContact OD2-CZ 2.94Å; D216-R218 IonicContact OD2-NE 3.44Å; D216-R218 PolarHBondContact OD2-NE 2.91Å; D216-R218 IonicContact OD2-NH2 2.71Å; D216-R218 PolarHBondContact OD2-NH2 3.29Å; D216-K219 HydrophobicContact CB-CB 4.4Å; D216-K219 HydrophobicContact CB-CD 4.25Å; D216-K219 HydrophobicContact CB-CG 4.3Å; D216-K219 WeakPolarHBondContact O-CA 3.27Å; D216-K219 VanDerWaalsContact O-CB 3.28Å; D216-K219 WeakPolarHBondContact O-CB 3.4Å; D216-K219 PolarHBondContact O-N 3.23Å; D216-C220 PolarHBondContact O-N 3.31Å; D216-C220 PolarHBondContact O-SG 3.03Å | ||
| 217 | I | 85.1 | Confident | 78 | Confident | 137 Ų | 137 | 103.9 Ų | 103.9 | 70% | 0.703 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -54.9 | -31 | -178.1 | -170.2 | 59.9 | 0 | 0 | 0 | 113.3 | M215 K219 C220 R221 | M215-I217 PolarHBondContact O-N 3.48Å; I217-K219 VanDerWaalsContact C-N 3.32Å; I217-C220 HydrophobicContact CD1-CB 4.41Å; I217-C220 PolarHBondContact O-N 2.96Å; I217-R221 PolarHBondContact O-N 2.75Å; I217-R221 VanDerWaalsContact O-N 3.1Å |
| 218 | R | 82.3 | Confident | 75.9 | Confident | 174 Ų | 174 | 104.2 Ų | 104.2 | 66% | 0.657 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.3 | -27.8 | 175.9 | -58.8 | 172.6 | -73.6 | -152.4 | 1.4 | 112.2 | D216 R222 | D216-R218 PolarHBondContact O-N 2.95Å; D216-R218 WeakPolarHBondContact OD1-CA 3.47Å; D216-R218 WeakPolarHBondContact OD1-CB 3.36Å; D216-R218 WeakPolarHBondContact OD1-CG 3.39Å; D216-R218 IonicContact OD1-CZ 3.9Å; D216-R218 PolarHBondContact OD1-N 3.03Å; D216-R218 IonicContact OD1-NE 3.77Å; D216-R218 PolarHBondContact OD1-NE 3.16Å; D216-R218 VanDerWaalsContact OD1-NE 3.08Å; D216-R218 IonicContact OD1-NH2 3.27Å; D216-R218 IonicContact OD2-CZ 2.94Å; D216-R218 IonicContact OD2-NE 3.44Å; D216-R218 PolarHBondContact OD2-NE 2.91Å; D216-R218 IonicContact OD2-NH2 2.71Å; D216-R218 PolarHBondContact OD2-NH2 3.29Å; R218-R222 PolarHBondContact O-NE 3Å; R218-R222 VanDerWaalsContact O-NE 3.1Å |
| 219 | K | 79.9 | Confident | 73.5 | Confident | 66 Ų | 66 | 106.1 Ų | 106.1 | 29% | 0.287 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -76.8 | -42.8 | 171.4 | -74.7 | 178.2 | 169.6 | -171.5 | 0 | 110.1 | P21 N22 M215 D216 I217 R221 R222 L223 | P21-K219 HydrophobicContact CB-CB 4.04Å; P21-K219 HydrophobicContact CB-CD 3.85Å; P21-K219 HydrophobicContact CB-CG 3.75Å; P21-K219 HydrophobicContact CG-CB 3.87Å; P21-K219 HydrophobicContact CG-CG 4.09Å; N22-K219 PolarHBondContact OD1-NZ 2.75Å; M215-K219 HydrophobicContact CG-CB 3.59Å; M215-K219 HydrophobicContact CG-CD 4.27Å; M215-K219 HydrophobicContact SD-CB 3.78Å; D216-K219 HydrophobicContact CB-CB 4.4Å; D216-K219 HydrophobicContact CB-CD 4.25Å; D216-K219 HydrophobicContact CB-CG 4.3Å; D216-K219 WeakPolarHBondContact O-CA 3.27Å; D216-K219 VanDerWaalsContact O-CB 3.28Å; D216-K219 WeakPolarHBondContact O-CB 3.4Å; D216-K219 PolarHBondContact O-N 3.23Å; I217-K219 VanDerWaalsContact C-N 3.32Å; K219-R221 VanDerWaalsContact C-N 3.33Å; K219-R221 PolarHBondContact O-N 3.36Å; K219-R222 WeakPolarHBondContact O-CB 3.48Å; K219-R222 PolarHBondContact O-N 3.23Å; K219-L223 PolarHBondContact O-N 3.23Å |
| 220 | C | 74.2 | Confident | 71.6 | Confident | 49 Ų | 49 | 110.3 Ų | 110.3 | 33% | 0.331 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -54.9 | -44.8 | 175.9 | -58.9 | 0 | 0 | 0 | 0 | 112.7 | M215 D216 I217 R222 L223 | M215-C220 HydrophobicContact CE-CB 4.37Å; M215-C220 VanDerWaalsContact CE-SG 3.52Å; D216-C220 PolarHBondContact O-N 3.31Å; D216-C220 PolarHBondContact O-SG 3.03Å; I217-C220 HydrophobicContact CD1-CB 4.41Å; I217-C220 PolarHBondContact O-N 2.96Å; C220-R222 PolarHBondContact O-N 3.44Å; C220-L223 PolarHBondContact O-N 3.37Å; C220-L223 VanDerWaalsContact O-N 3.14Å |
| 221 | R | 67.4 | Low | 69.8 | Low | 223 Ų | 223 | 109.1 Ų | 109.1 | 84% | 0.842 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -23.8 | 178.9 | -168.5 | 178.6 | 179.6 | -147.5 | 0.9 | 113.8 | I217 K219 | I217-R221 PolarHBondContact O-N 2.75Å; I217-R221 VanDerWaalsContact O-N 3.1Å; K219-R221 VanDerWaalsContact C-N 3.33Å; K219-R221 PolarHBondContact O-N 3.36Å |
| 222 | R | 66.1 | Low | 68.2 | Low | 154 Ų | 154 | 109.7 Ų | 109.7 | 58% | 0.581 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -16.6 | 178.9 | -72.8 | -176.8 | -80.3 | 165 | -8.1 | 113.2 | R218 K219 C220 K224 | R218-R222 PolarHBondContact O-NE 3Å; R218-R222 VanDerWaalsContact O-NE 3.1Å; K219-R222 WeakPolarHBondContact O-CB 3.48Å; K219-R222 PolarHBondContact O-N 3.23Å; C220-R222 PolarHBondContact O-N 3.44Å; R222-K224 VanDerWaalsContact C-N 3.25Å; R222-K224 PolarHBondContact O-N 3.21Å |
| 223 | L | 64.4 | Low | 66.8 | Low | 69 Ų | 69 | 109.1 Ų | 109.1 | 36% | 0.361 | 52% | 0.523 | S | S | . | . | trans | -70.2 | 86.1 | 168.8 | -77.1 | 118.1 | 0 | 0 | 0 | 109.1 | M215 K219 C220 N225 | M215-L223 HydrophobicContact CE-CD1 3.19Å; M215-L223 HydrophobicContact SD-CD1 3.79Å; K219-L223 PolarHBondContact O-N 3.23Å; C220-L223 PolarHBondContact O-N 3.37Å; C220-L223 VanDerWaalsContact O-N 3.14Å; L223-N225 PolarHBondContact O-N 2.96Å; L223-N225 VanDerWaalsContact O-N 3.12Å | ||
| 224 | K | 52.9 | Low | 65.6 | Low | 184 Ų | 184 | 108.1 Ų | 108.1 | 80% | 0.8 | 51% | 0.512 | S | S | * | . | trans | -74.9 | 13.4 | 179.6 | -86.2 | -174.2 | 176.7 | 175.9 | 0 | 114.4 | R222 | R222-K224 VanDerWaalsContact C-N 3.25Å; R222-K224 PolarHBondContact O-N 3.21Å | ||
| 225 | N | 51.6 | Low | 64 | Low | 76 Ų | 76 | 103.3 Ų | 103.3 | 41% | 0.406 | 50% | 0.502 | S | S | . | . | trans | -136.3 | 90.3 | -174.6 | -137 | -10.4 | 0 | 0 | 0 | 113.6 | L223 Q227 | L223-N225 PolarHBondContact O-N 2.96Å; L223-N225 VanDerWaalsContact O-N 3.12Å; N225-Q227 PolarHBondContact O-N 2.81Å; N225-Q227 VanDerWaalsContact O-N 3.14Å | ||
| 226 | P | 46.8 | Very low | 61.9 | Low | 126 Ų | 126 | 107.2 Ų | 107.2 | 82% | 0.818 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -3.2 | 171.4 | -16 | 29.2 | 0 | 0 | 0 | 114.3 | ||
| 227 | Q | 43.3 | Very low | 59.7 | Low | 166 Ų | 166 | 109.6 Ų | 109.6 | 78% | 0.776 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 7.6 | -172.1 | -64.8 | -158.2 | -5.8 | 0 | 0 | 115.1 | N225 V229 | N225-Q227 PolarHBondContact O-N 2.81Å; N225-Q227 VanDerWaalsContact O-N 3.14Å; Q227-V229 PolarHBondContact O-N 2.95Å |
| 228 | K | 53.2 | Low | 57.1 | Low | 103 Ų | 103 | 109.2 Ų | 109.2 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -64.2 | 106.3 | 163.1 | -79.3 | -175.1 | 177.9 | 178.3 | 0 | 107.1 | K230 | K228-K230 PolarHBondContact O-N 3.48Å; K228-K230 VanDerWaalsContact O-N 3.09Å |
| 229 | V | 46.3 | Very low | 54.7 | Low | 129 Ų | 129 | 109.3 Ų | 109.3 | 78% | 0.782 | 55% | 0.553 | S | S | * | * | trans | -45.6 | 119.3 | 176.6 | 176.5 | 0 | 0 | 0 | 0 | 108 | Q227 K231 | Q227-V229 PolarHBondContact O-N 2.95Å; V229-K231 PolarHBondContact O-N 2.83Å | ||
| 230 | K | 56.1 | Low | 52.5 | Low | 136 Ų | 136 | 111.5 Ų | 111.5 | 59% | 0.591 | 57% | 0.572 | S | S | * | * | trans | -58.1 | 108.5 | 174.4 | -67.2 | -179.7 | 175.3 | -175 | 0 | 107.7 | K228 S232 | K228-K230 PolarHBondContact O-N 3.48Å; K228-K230 VanDerWaalsContact O-N 3.09Å; K230-S232 PolarHBondContact O-N 3.04Å | ||
| 231 | K | 57.3 | Low | 50.6 | Low | 100 Ų | 100 | 117.5 Ų | 117.5 | 44% | 0.435 | 60% | 0.595 | S | S | . | * | trans | -73.9 | 110 | 175.3 | -69.6 | -178.2 | 178.6 | 175.9 | 0 | 107.6 | W124 V229 | W124-K231 HydrophobicContact CE3-CB 3.96Å; W124-K231 HydrophobicContact CH2-CB 4.12Å; W124-K231 HydrophobicContact CZ3-CB 3.53Å; W124-K231 WeakPolarHBondContact CZ3-O 3.2Å; V229-K231 PolarHBondContact O-N 2.83Å | ||
| 232 | S | 61.1 | Low | 49 | Very low | 54 Ų | 54 | 112.3 Ų | 112.3 | 38% | 0.378 | 59% | 0.593 | S | S | . | * | trans | -73.4 | 139.8 | 167.2 | 168.3 | 0 | 0 | 0 | 0 | 109.2 | D130 K230 Y234 G235 | D130-S232 PolarHBondContact OD1-OG 3.27Å; K230-S232 PolarHBondContact O-N 3.04Å; S232-Y234 VanDerWaalsContact C-N 3.27Å; S232-Y234 PolarHBondContact O-N 3.01Å; S232-Y234 PolarHBondContact OG-N 2.94Å; S232-G235 PolarHBondContact OG-N 3.42Å | ||
| 233 | V | 65.1 | Low | 47.4 | Very low | 15 Ų | 15 | 112.4 Ų | 112.4 | 9% | 0.091 | 60% | 0.6 | C | S | . | * | S | Bend | trans | -68.9 | -28.8 | 178.8 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | W124 P126 D130 F199 | W124-V233 HydrophobicContact CE3-CG2 4.19Å; W124-V233 HydrophobicContact CZ3-CG2 4.02Å; P126-V233 HydrophobicContact CB-CG2 4.14Å; D130-V233 HydrophobicContact CB-CB 4.46Å; F199-V233 HydrophobicContact CE1-CG2 3.72Å; F199-V233 HydrophobicContact CZ-CG2 3.71Å |
| 234 | Y | 65.5 | Low | 45.9 | Very low | 40 Ų | 40 | 113.2 Ų | 113.2 | 16% | 0.157 | 61% | 0.612 | C | S | . | * | S | Bend | trans | -118.6 | 12.5 | -176.5 | -55.7 | -71.7 | 0 | 0 | 0 | 113.7 | D130 I133 Y134 E196 W200 S232 | D130-Y234 HydrophobicContact CB-CD2 3.87Å; D130-Y234 HydrophobicContact CB-CE2 4Å; D130-Y234 WeakPolarHBondContact O-CE2 3.49Å; I133-Y234 HydrophobicContact CB-CD2 4.16Å; I133-Y234 HydrophobicContact CB-CE2 4.21Å; I133-Y234 HydrophobicContact CD1-CD2 4.12Å; I133-Y234 HydrophobicContact CD1-CG 4.48Å; I133-Y234 HydrophobicContact CG2-CD1 4.48Å; I133-Y234 HydrophobicContact CG2-CD2 4.13Å; I133-Y234 HydrophobicContact CG2-CE2 4.24Å; I133-Y234 HydrophobicContact CG2-CG 4.25Å; Y134-Y234 WeakPolarHBondContact CB-OH 3.49Å; E196-Y234 VanDerWaalsContact OE1-CE1 3.31Å; E196-Y234 WeakPolarHBondContact OE1-CE1 3.34Å; E196-Y234 PolarHBondContact OE1-OH 2.8Å; W200-Y234 HydrophobicContact CZ2-CE2 4.29Å; S232-Y234 VanDerWaalsContact C-N 3.27Å; S232-Y234 PolarHBondContact O-N 3.01Å; S232-Y234 PolarHBondContact OG-N 2.94Å |
| 235 | G | 55.4 | Low | 45.2 | Very low | 44 Ų | 44 | 109.6 Ų | 109.6 | 45% | 0.454 | 61% | 0.607 | S | S | . | * | trans | -62.1 | 140.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S232 T237 | S232-G235 PolarHBondContact OG-N 3.42Å; G235-T237 PolarHBondContact O-N 3.47Å | ||
| 236 | V | 40.6 | Very low | 44.4 | Very low | 145 Ų | 145 | 111.7 Ų | 111.7 | 88% | 0.879 | 62% | 0.622 | S | S | * | * | trans | -62.6 | 118.3 | 171.1 | -179.1 | 0 | 0 | 0 | 0 | 107.4 | D238 | V236-D238 PolarHBondContact O-N 3.02Å; V236-D238 VanDerWaalsContact O-N 3.09Å | ||
| 237 | T | 39.4 | Very low | 44 | Very low | 111 Ų | 111 | 113.3 Ų | 113.3 | 68% | 0.681 | 62% | 0.619 | S | S | * | * | trans | -63.1 | 110.2 | 169.5 | 29.3 | 0 | 0 | 0 | 0 | 108.2 | G235 E239 | G235-T237 PolarHBondContact O-N 3.47Å; T237-E239 PolarHBondContact O-N 3.32Å; T237-E239 VanDerWaalsContact O-N 3.11Å | ||
| 238 | D | 30.8 | Very low | 43.7 | Very low | 129 Ų | 129 | 111.3 Ų | 111.3 | 69% | 0.69 | 61% | 0.612 | S | S | * | * | trans | -66.5 | 107.5 | 164 | -142.5 | -16.7 | 0 | 0 | 0 | 106.4 | V236 T240 Q241 | V236-D238 PolarHBondContact O-N 3.02Å; V236-D238 VanDerWaalsContact O-N 3.09Å; D238-T240 PolarHBondContact O-N 3.19Å; D238-Q241 PolarHBondContact O-N 3.14Å | ||
| 239 | E | 31.8 | Very low | 42.8 | Very low | 177 Ų | 177 | 111.9 Ų | 111.9 | 83% | 0.827 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 10 | -177.7 | -77.3 | -88.9 | 141.3 | 0 | 0 | 113.3 | T237 | T237-E239 PolarHBondContact O-N 3.32Å; T237-E239 VanDerWaalsContact O-N 3.11Å |
| 240 | T | 32.6 | Very low | 42.4 | Very low | 112 Ų | 112 | 110.5 Ų | 110.5 | 69% | 0.687 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -0.4 | 173.7 | 41.2 | 0 | 0 | 0 | 0 | 114.4 | D238 | D238-T240 PolarHBondContact O-N 3.19Š|
| 241 | Q | 35.8 | Very low | 41.9 | Very low | 174 Ų | 174 | 110.3 Ų | 110.3 | 81% | 0.813 | 62% | 0.624 | S | S | * | * | trans | -112.5 | 60.1 | 173.6 | -71 | -173.2 | 5.8 | 0 | 0 | 113.1 | D238 Q243 | D238-Q241 PolarHBondContact O-N 3.14Å; Q241-Q243 PolarHBondContact O-N 2.85Å | ||
| 242 | S | 32.1 | Very low | 41.3 | Very low | 115 Ų | 115 | 111.2 Ų | 111.2 | 80% | 0.804 | 64% | 0.64 | S | S | * | * | trans | -72.5 | 67.2 | 151.8 | 58.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 243 | Q | 32.9 | Very low | 40.9 | Very low | 155 Ų | 155 | 115.7 Ų | 115.7 | 72% | 0.724 | 66% | 0.658 | S | S | * | * | trans | -128.2 | 108.2 | 160.9 | -73.7 | -167.4 | -4.8 | 0 | 0 | 108.1 | Q241 | Q241-Q243 PolarHBondContact O-N 2.85Š| ||
| 244 | S | 33.3 | Very low | 40.7 | Very low | 87 Ų | 87 | 124.5 Ų | 124.5 | 61% | 0.608 | 69% | 0.689 | S | S | * | * | trans | -40.9 | 140.3 | 160.9 | -164.2 | 0 | 0 | 0 | 0 | 109.6 | V246 | S244-V246 PolarHBondContact O-N 3.2Š| ||
| 245 | P | 38.3 | Very low | 41.1 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 15.1 | -177.4 | 16.2 | -14.5 | 0 | 0 | 0 | 114.4 | H247 | P245-H247 VanDerWaalsContact C-N 3.35Š|
| 246 | V | 34.8 | Very low | 42.3 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -1 | -176.4 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | S244 | S244-V246 PolarHBondContact O-N 3.2Š|
| 247 | H | 37.8 | Very low | 44.7 | Very low | 161 Ų | 161 | 130.3 Ų | 130.3 | 75% | 0.745 | 71% | 0.705 | S | S | * | * | trans | -133.1 | 82.2 | 174 | -117 | 49.2 | 0 | 0 | 0 | 112.3 | P245 | P245-H247 VanDerWaalsContact C-N 3.35Š| ||
| 248 | I | 38.1 | Very low | 47.2 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 63% | 0.631 | 70% | 0.702 | S | S | * | * | trans | -81.5 | 133 | 155.2 | -57.8 | 174.1 | 0 | 0 | 0 | 105.9 | S250 | I248-S250 PolarHBondContact O-N 3.12Š| ||
| 249 | P | 34.6 | Very low | 50.2 | Low | 115 Ų | 115 | 130 Ų | 130 | 75% | 0.747 | 69% | 0.692 | S | S | * | * | trans | -58.7 | 114.3 | 168.2 | -13.2 | 26.2 | 0 | 0 | 0 | 107 | Q251 | P249-Q251 PolarHBondContact O-N 3.4Å; P249-Q251 VanDerWaalsContact O-N 3.15Å | ||
| 250 | S | 37.2 | Very low | 53 | Low | 100 Ų | 100 | 124 Ų | 124 | 70% | 0.699 | 67% | 0.666 | S | S | * | * | trans | -50 | 124.8 | 176 | 42.6 | 0 | 0 | 0 | 0 | 108.6 | I248 | I248-S250 PolarHBondContact O-N 3.12Š| ||
| 251 | Q | 45.2 | Very low | 55.9 | Low | 133 Ų | 133 | 123 Ų | 123 | 62% | 0.621 | 66% | 0.655 | S | S | * | * | trans | -51.5 | 143.6 | 163.9 | -73.6 | -146.4 | -5.3 | 0 | 0 | 107.9 | P249 I253 | P249-Q251 PolarHBondContact O-N 3.4Å; P249-Q251 VanDerWaalsContact O-N 3.15Å; Q251-I253 PolarHBondContact O-N 3.06Å | ||
| 252 | P | 45.1 | Very low | 58.7 | Low | 119 Ų | 119 | 120.9 Ų | 120.9 | 77% | 0.773 | 64% | 0.64 | S | S | * | * | trans | -58 | 112.8 | -174.9 | 22.5 | -31.4 | 0 | 0 | 0 | 108.3 | R254 | P252-R254 PolarHBondContact O-N 3.02Š| ||
| 253 | I | 52.3 | Low | 61.6 | Low | 147 Ų | 147 | 122.4 Ų | 122.4 | 75% | 0.754 | 63% | 0.632 | S | S | * | * | trans | -43 | 114.3 | 170.8 | -64.5 | 167.5 | 0 | 0 | 0 | 105.9 | Q251 K255 | Q251-I253 PolarHBondContact O-N 3.06Å; I253-K255 PolarHBondContact O-N 3.07Å | ||
| 254 | R | 61.7 | Low | 64.6 | Low | 201 Ų | 201 | 119.9 Ų | 119.9 | 76% | 0.758 | 62% | 0.62 | S | S | * | * | trans | -55.3 | 109.2 | 178.7 | -177.8 | 179.4 | 177 | -176.6 | -2.2 | 106.5 | P252 T256 | P252-R254 PolarHBondContact O-N 3.02Å; R254-T256 PolarHBondContact O-N 3.42Å; R254-T256 VanDerWaalsContact O-N 3.1Å | ||
| 255 | K | 74.4 | Confident | 67.5 | Low | 188 Ų | 188 | 119.8 Ų | 119.8 | 82% | 0.817 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -61 | 119.7 | -178.3 | -69 | -176.3 | 179.9 | 179.5 | 0 | 107.6 | I253 T257 | I253-K255 PolarHBondContact O-N 3.07Å; K255-T257 PolarHBondContact O-N 3.22Å |
| 256 | T | 79.5 | Confident | 70.3 | Confident | 105 Ų | 105 | 119.4 Ų | 119.4 | 64% | 0.644 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 122.3 | 178.3 | -49.5 | 0 | 0 | 0 | 0 | 109.6 | R254 D260 I261 | R254-T256 PolarHBondContact O-N 3.42Å; R254-T256 VanDerWaalsContact O-N 3.1Å; T256-D260 HydrophobicContact CG2-CB 4.03Å; T256-I261 HydrophobicContact CG2-CD1 4.47Å; T256-I261 HydrophobicContact CG2-CG1 3.89Å |
| 257 | T | 90.9 | Very high | 73.2 | Confident | 57 Ų | 57 | 119 Ų | 119 | 35% | 0.35 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -86.4 | 161.9 | -178.3 | 70.8 | 0 | 0 | 0 | 0 | 111 | K255 D259 D260 I261 | K255-T257 PolarHBondContact O-N 3.22Å; T257-D259 PolarHBondContact O-N 2.97Å; T257-D260 WeakPolarHBondContact CB-OD2 3.41Å; T257-D260 PolarHBondContact N-OD2 3.25Å; T257-D260 WeakPolarHBondContact O-CB 3.25Å; T257-D260 PolarHBondContact O-N 3.11Å; T257-D260 VanDerWaalsContact O-N 3.15Å; T257-D260 PolarHBondContact OG1-N 3.38Å; T257-D260 PolarHBondContact OG1-OD2 2.89Å; T257-I261 PolarHBondContact O-N 3.33Å; T257-I261 VanDerWaalsContact O-N 3.13Å |
| 258 | K | 92 | Very high | 76 | Confident | 145 Ų | 145 | 115.1 Ų | 115.1 | 63% | 0.63 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -56.6 | -35.3 | 173.6 | -175.6 | 178.3 | -178.9 | 178.4 | 0 | 112.2 | I261 R262 | K258-I261 PolarHBondContact O-N 3.39Å; K258-R262 WeakPolarHBondContact O-CG 3.49Å; K258-R262 PolarHBondContact O-N 2.9Å |
| 259 | D | 93.2 | Very high | 78.8 | Confident | 88 Ų | 88 | 113.5 Ų | 113.5 | 47% | 0.471 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -74.5 | -32.1 | 179.3 | -67.9 | -26.8 | 0 | 0 | 0 | 112.3 | T257 I261 R262 K263 | T257-D259 PolarHBondContact O-N 2.97Å; D259-I261 VanDerWaalsContact C-N 3.34Å; D259-R262 PolarHBondContact O-N 2.99Å; D259-R262 IonicContact OD1-CZ 2.83Å; D259-R262 IonicContact OD1-NH1 2.96Å; D259-R262 PolarHBondContact OD1-NH1 3.22Å; D259-K263 WeakPolarHBondContact O-CG 3.5Å; D259-K263 PolarHBondContact O-N 3.42Å |
| 260 | D | 91.4 | Very high | 81.7 | Confident | 52 Ų | 52 | 110.5 Ų | 110.5 | 28% | 0.278 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.2 | -42.9 | 171.3 | -58.7 | -41.8 | 0 | 0 | 0 | 110.7 | T256 T257 R262 K263 Q264 | T256-D260 HydrophobicContact CG2-CB 4.03Å; T257-D260 WeakPolarHBondContact CB-OD2 3.41Å; T257-D260 PolarHBondContact N-OD2 3.25Å; T257-D260 WeakPolarHBondContact O-CB 3.25Å; T257-D260 PolarHBondContact O-N 3.11Å; T257-D260 VanDerWaalsContact O-N 3.15Å; T257-D260 PolarHBondContact OG1-N 3.38Å; T257-D260 PolarHBondContact OG1-OD2 2.89Å; D260-R262 PolarHBondContact O-N 2.89Å; D260-K263 PolarHBondContact O-N 2.63Å; D260-Q264 WeakPolarHBondContact O-CB 3.36Å; D260-Q264 PolarHBondContact O-N 3.2Å |
| 261 | I | 92.9 | Very high | 84.4 | Confident | 90 Ų | 90 | 108.2 Ų | 108.2 | 46% | 0.462 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 175.8 | -63.2 | 172.6 | 0 | 0 | 0 | 110.8 | T256 T257 K258 D259 K263 Q264 I265 | T256-I261 HydrophobicContact CG2-CD1 4.47Å; T256-I261 HydrophobicContact CG2-CG1 3.89Å; T257-I261 PolarHBondContact O-N 3.33Å; T257-I261 VanDerWaalsContact O-N 3.13Å; K258-I261 PolarHBondContact O-N 3.39Å; D259-I261 VanDerWaalsContact C-N 3.34Å; I261-K263 PolarHBondContact O-N 2.94Å; I261-Q264 WeakPolarHBondContact O-CB 3.43Å; I261-Q264 PolarHBondContact O-N 2.95Å; I261-I265 HydrophobicContact CG2-CD1 3.98Å; I261-I265 HydrophobicContact CG2-CG1 4.47Å; I261-I265 WeakPolarHBondContact O-CG1 3.36Å; I261-I265 PolarHBondContact O-N 3.37Å |
| 262 | R | 95.3 | Very high | 86.8 | Confident | 131 Ų | 131 | 108 Ų | 108 | 49% | 0.494 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60 | -46.1 | 177.1 | -76.4 | 169.7 | 170.9 | 167.1 | -12.5 | 111.9 | K258 D259 D260 Q264 I265 T266 | K258-R262 WeakPolarHBondContact O-CG 3.49Å; K258-R262 PolarHBondContact O-N 2.9Å; D259-R262 PolarHBondContact O-N 2.99Å; D259-R262 IonicContact OD1-CZ 2.83Å; D259-R262 IonicContact OD1-NH1 2.96Å; D259-R262 PolarHBondContact OD1-NH1 3.22Å; D260-R262 PolarHBondContact O-N 2.89Å; R262-Q264 VanDerWaalsContact C-N 3.29Å; R262-Q264 PolarHBondContact O-N 3.42Å; R262-I265 PolarHBondContact O-N 2.92Å; R262-T266 PolarHBondContact O-N 3.13Å; R262-T266 PolarHBondContact O-OG1 2.98Å |
| 263 | K | 93.9 | Very high | 89.2 | Confident | 146 Ų | 146 | 108.2 Ų | 108.2 | 64% | 0.635 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.7 | -41.5 | 175.5 | -73.7 | 175.2 | -178.9 | 176.1 | 0 | 111.5 | D259 D260 I261 T266 F267 | D259-K263 WeakPolarHBondContact O-CG 3.5Å; D259-K263 PolarHBondContact O-N 3.42Å; D260-K263 PolarHBondContact O-N 2.63Å; I261-K263 PolarHBondContact O-N 2.94Å; K263-T266 PolarHBondContact O-N 3.23Å; K263-F267 WeakPolarHBondContact O-CB 3.45Å; K263-F267 PolarHBondContact O-N 3.15Å |
| 264 | Q | 93.9 | Very high | 91.2 | Very high | 102 Ų | 102 | 107.8 Ų | 107.8 | 48% | 0.477 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 176.6 | -170.6 | 63.3 | 22 | 0 | 0 | 111.9 | D260 I261 R262 F267 L268 | D260-Q264 WeakPolarHBondContact O-CB 3.36Å; D260-Q264 PolarHBondContact O-N 3.2Å; I261-Q264 WeakPolarHBondContact O-CB 3.43Å; I261-Q264 PolarHBondContact O-N 2.95Å; R262-Q264 VanDerWaalsContact C-N 3.29Å; R262-Q264 PolarHBondContact O-N 3.42Å; Q264-F267 PolarHBondContact O-N 3.22Å; Q264-L268 HydrophobicContact CG-CD1 4.04Å; Q264-L268 HydrophobicContact CG-CG 4.42Å; Q264-L268 WeakPolarHBondContact O-CB 3.43Å; Q264-L268 VanDerWaalsContact O-CG 3.25Å; Q264-L268 WeakPolarHBondContact O-CG 3.41Å; Q264-L268 PolarHBondContact O-N 3.04Å |
| 265 | I | 96 | Very high | 92.8 | Very high | 86 Ų | 86 | 107.1 Ų | 107.1 | 44% | 0.441 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.6 | -49.1 | 176.1 | -68.2 | 166 | 0 | 0 | 0 | 110.5 | I261 R262 F267 L268 N269 | I261-I265 HydrophobicContact CG2-CD1 3.98Å; I261-I265 HydrophobicContact CG2-CG1 4.47Å; I261-I265 WeakPolarHBondContact O-CG1 3.36Å; I261-I265 PolarHBondContact O-N 3.37Å; R262-I265 PolarHBondContact O-N 2.92Å; I265-F267 VanDerWaalsContact C-N 3.3Å; I265-F267 PolarHBondContact O-N 3.26Å; I265-L268 PolarHBondContact O-N 3.24Å; I265-N269 WeakPolarHBondContact O-CB 3.5Å; I265-N269 PolarHBondContact O-N 3.45Å |
| 266 | T | 96.5 | Very high | 93.8 | Very high | 99 Ų | 99 | 103.7 Ų | 103.7 | 61% | 0.607 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -57.9 | -44.4 | 177.3 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | R262 K263 A270 | R262-T266 PolarHBondContact O-N 3.13Å; R262-T266 PolarHBondContact O-OG1 2.98Å; K263-T266 PolarHBondContact O-N 3.23Å; T266-A270 WeakPolarHBondContact O-CB 3.34Å; T266-A270 PolarHBondContact O-N 3.49Å; T266-A270 VanDerWaalsContact O-N 3.1Å |
| 267 | F | 95.5 | Very high | 94.6 | Very high | 110 Ų | 110 | 105 Ų | 105 | 48% | 0.482 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 177 | 172.9 | -97.9 | 0 | 0 | 0 | 112.1 | K263 Q264 I265 A270 Q271 | K263-F267 WeakPolarHBondContact O-CB 3.45Å; K263-F267 PolarHBondContact O-N 3.15Å; Q264-F267 PolarHBondContact O-N 3.22Å; I265-F267 VanDerWaalsContact C-N 3.3Å; I265-F267 PolarHBondContact O-N 3.26Å; F267-A270 PolarHBondContact O-N 3.19Å; F267-Q271 HydrophobicContact CD1-CG 4.1Å; F267-Q271 HydrophobicContact CE1-CG 3.71Å; F267-Q271 HydrophobicContact CE2-CG 4.47Å; F267-Q271 HydrophobicContact CZ-CG 3.92Å; F267-Q271 VanDerWaalsContact CZ-OE1 3.28Å; F267-Q271 VanDerWaalsContact O-CG 3.27Å; F267-Q271 WeakPolarHBondContact O-CG 3.25Å; F267-Q271 PolarHBondContact O-N 2.92Å; F267-Q271 PolarHBondContact O-NE2 3.03Å |
| 268 | L | 96.3 | Very high | 94.9 | Very high | 81 Ų | 81 | 110 Ų | 110 | 42% | 0.424 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | -179.3 | -72.8 | 173.4 | 0 | 0 | 0 | 112.3 | Q264 I265 A270 Q271 I272 | Q264-L268 HydrophobicContact CG-CD1 4.04Å; Q264-L268 HydrophobicContact CG-CG 4.42Å; Q264-L268 WeakPolarHBondContact O-CB 3.43Å; Q264-L268 VanDerWaalsContact O-CG 3.25Å; Q264-L268 WeakPolarHBondContact O-CG 3.41Å; Q264-L268 PolarHBondContact O-N 3.04Å; I265-L268 PolarHBondContact O-N 3.24Å; L268-A270 VanDerWaalsContact C-N 3.3Å; L268-A270 PolarHBondContact O-N 3.4Å; L268-Q271 WeakPolarHBondContact O-CA 3.26Å; L268-Q271 WeakPolarHBondContact O-CB 3.47Å; L268-Q271 PolarHBondContact O-N 3.26Å; L268-I272 WeakPolarHBondContact O-CG1 3.45Å; L268-I272 PolarHBondContact O-N 2.96Å |
| 269 | N | 96.8 | Very high | 95.2 | Very high | 89 Ų | 89 | 109.4 Ų | 109.4 | 48% | 0.476 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -57.4 | -47.1 | 174.2 | -72.7 | -12.7 | 0 | 0 | 0 | 110.4 | I265 Q271 I272 D273 | I265-N269 WeakPolarHBondContact O-CB 3.5Å; I265-N269 PolarHBondContact O-N 3.45Å; N269-Q271 PolarHBondContact O-N 2.99Å; N269-I272 PolarHBondContact O-N 3.33Å; N269-D273 PolarHBondContact O-N 2.9Å; N269-D273 VanDerWaalsContact O-N 3.11Å |
| 270 | A | 95.4 | Very high | 95.4 | Very high | 51 Ų | 51 | 108.2 Ų | 108.2 | 42% | 0.421 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63 | -26.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T266 F267 L268 R274 | T266-A270 WeakPolarHBondContact O-CB 3.34Å; T266-A270 PolarHBondContact O-N 3.49Å; T266-A270 VanDerWaalsContact O-N 3.1Å; F267-A270 PolarHBondContact O-N 3.19Å; L268-A270 VanDerWaalsContact C-N 3.3Å; L268-A270 PolarHBondContact O-N 3.4Å; A270-R274 WeakPolarHBondContact O-CG 3.3Å |
| 271 | Q | 95.4 | Very high | 95.7 | Very high | 52 Ų | 52 | 111.2 Ų | 111.2 | 24% | 0.243 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -73.5 | -36.6 | 173.5 | -54.9 | -43.5 | -97.8 | 0 | 0 | 111.9 | F267 L268 N269 R274 | F267-Q271 HydrophobicContact CD1-CG 4.1Å; F267-Q271 HydrophobicContact CE1-CG 3.71Å; F267-Q271 HydrophobicContact CE2-CG 4.47Å; F267-Q271 HydrophobicContact CZ-CG 3.92Å; F267-Q271 VanDerWaalsContact CZ-OE1 3.28Å; F267-Q271 VanDerWaalsContact O-CG 3.27Å; F267-Q271 WeakPolarHBondContact O-CG 3.25Å; F267-Q271 PolarHBondContact O-N 2.92Å; F267-Q271 PolarHBondContact O-NE2 3.03Å; L268-Q271 WeakPolarHBondContact O-CA 3.26Å; L268-Q271 WeakPolarHBondContact O-CB 3.47Å; L268-Q271 PolarHBondContact O-N 3.26Å; N269-Q271 PolarHBondContact O-N 2.99Å; Q271-R274 VanDerWaalsContact CD-CZ 3.42Å; Q271-R274 PolarHBondContact O-N 3.32Å |
| 272 | I | 94.9 | Very high | 96 | Very high | 130 Ų | 130 | 109.3 Ų | 109.3 | 67% | 0.667 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.7 | -37.8 | -178.7 | -68.2 | 166.6 | 0 | 0 | 0 | 110.6 | L268 N269 R274 | L268-I272 WeakPolarHBondContact O-CG1 3.45Å; L268-I272 PolarHBondContact O-N 2.96Å; N269-I272 PolarHBondContact O-N 3.33Å; I272-R274 PolarHBondContact O-N 3.36Å |
| 273 | D | 95.5 | Very high | 96.2 | Very high | 123 Ų | 123 | 104.8 Ų | 104.8 | 66% | 0.658 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -11.2 | -179.7 | -64.4 | -24.9 | 0 | 0 | 0 | 113.2 | N269 H275 | N269-D273 PolarHBondContact O-N 2.9Å; N269-D273 VanDerWaalsContact O-N 3.11Å; D273-H275 PolarHBondContact O-N 2.99Å |
| 274 | R | 94.9 | Very high | 96.4 | Very high | 138 Ų | 138 | 102.7 Ų | 102.7 | 52% | 0.521 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -75.6 | 122.9 | 177.2 | -68.9 | -169.2 | -54.2 | -126.8 | -2.7 | 111.3 | A270 Q271 I272 C276 | A270-R274 WeakPolarHBondContact O-CG 3.3Å; Q271-R274 VanDerWaalsContact CD-CZ 3.42Å; Q271-R274 PolarHBondContact O-N 3.32Å; I272-R274 PolarHBondContact O-N 3.36Å; R274-C276 PolarHBondContact O-N 2.84Å |
| 275 | H | 94.8 | Very high | 96.6 | Very high | 186 Ų | 186 | 101.5 Ų | 101.5 | 86% | 0.861 | 53% | 0.533 | S | S | * | . | trans | -66.1 | 114.4 | 171.3 | -67.5 | -72.4 | 0 | 0 | 0 | 111.2 | D273 | D273-H275 PolarHBondContact O-N 2.99Š| ||
| 276 | C | 94.5 | Very high | 96.7 | Very high | 116 Ų | 116 | 102.4 Ų | 102.4 | 78% | 0.784 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -102.5 | 144.5 | 176 | -67.8 | 0 | 0 | 0 | 0 | 111 | R274 | R274-C276 PolarHBondContact O-N 2.84Š|
| 277 | L | 95.9 | Very high | 96.8 | Very high | 134 Ų | 134 | 102.2 Ų | 102.2 | 70% | 0.702 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -91.5 | 154.7 | 171.6 | -73.5 | 89.9 | 0 | 0 | 0 | 111 | V282 | L277-V282 HydrophobicContact CB-CG2 3.78Š|
| 278 | K | 98.1 | Very high | 96.9 | Very high | 162 Ų | 162 | 99.5 Ų | 99.5 | 70% | 0.704 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 140.7 | 170.7 | -67.8 | -175.4 | 178.3 | -178.5 | 0 | 110.1 | S280 K281 V282 | K278-S280 PolarHBondContact O-N 2.95Å; K278-K281 PolarHBondContact O-N 3.05Å; K278-V282 PolarHBondContact O-N 3.26Å; K278-V282 VanDerWaalsContact O-N 3.1Å |
| 279 | M | 97.9 | Very high | 97 | Very high | 131 Ų | 131 | 101.4 Ų | 101.4 | 65% | 0.645 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.7 | -35.5 | -179 | -166.5 | 61.1 | -120 | 0 | 0 | 113 | K281 V282 A283 | M279-K281 VanDerWaalsContact C-N 3.31Å; M279-K281 PolarHBondContact O-N 3.45Å; M279-V282 HydrophobicContact CE-CB 3.74Å; M279-V282 HydrophobicContact CE-CG1 3.68Å; M279-V282 PolarHBondContact O-N 2.97Å; M279-A283 HydrophobicContact CE-CB 4.25Å; M279-A283 WeakPolarHBondContact O-CB 3.48Å; M279-A283 PolarHBondContact O-N 3Å |
| 280 | S | 98 | Very high | 97.1 | Very high | 64 Ų | 64 | 101.2 Ų | 101.2 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 174.5 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | K278 A283 E284 | K278-S280 PolarHBondContact O-N 2.95Å; S280-A283 PolarHBondContact O-N 3.48Å; S280-E284 WeakPolarHBondContact O-CB 3.23Å; S280-E284 VanDerWaalsContact O-CG 3.22Å; S280-E284 WeakPolarHBondContact O-CG 3.37Å; S280-E284 PolarHBondContact O-N 2.84Å |
| 281 | K | 98.3 | Very high | 97.2 | Very high | 115 Ų | 115 | 105.1 Ų | 105.1 | 50% | 0.5 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.8 | -37.6 | 178.7 | -68.9 | -70.5 | 159.2 | -151.7 | 0 | 112.6 | K278 M279 E284 S285 | K278-K281 PolarHBondContact O-N 3.05Å; M279-K281 VanDerWaalsContact C-N 3.31Å; M279-K281 PolarHBondContact O-N 3.45Å; K281-E284 IonicContact NZ-OE1 2.7Å; K281-E284 IonicContact NZ-OE2 3.94Å; K281-E284 PolarHBondContact NZ-OE2 2.73Å; K281-S285 WeakPolarHBondContact O-CB 3.34Å; K281-S285 PolarHBondContact O-N 3.12Å |
| 282 | V | 98.4 | Very high | 97.3 | Very high | 49 Ų | 49 | 106.3 Ų | 106.3 | 30% | 0.297 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.9 | -47.7 | 174.1 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | L277 K278 M279 S285 L286 | L277-V282 HydrophobicContact CB-CG2 3.78Å; K278-V282 PolarHBondContact O-N 3.26Å; K278-V282 VanDerWaalsContact O-N 3.1Å; M279-V282 HydrophobicContact CE-CB 3.74Å; M279-V282 HydrophobicContact CE-CG1 3.68Å; M279-V282 PolarHBondContact O-N 2.97Å; V282-S285 PolarHBondContact O-N 3.17Å; V282-L286 HydrophobicContact CG1-CD1 3.95Å; V282-L286 HydrophobicContact CG1-CG 4.43Å; V282-L286 WeakPolarHBondContact O-CG 3.47Å; V282-L286 PolarHBondContact O-N 3.19Å |
| 283 | A | 98.4 | Very high | 97.4 | Very high | 36 Ų | 36 | 101.5 Ų | 101.5 | 30% | 0.298 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.4 | -49 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M279 S280 S285 L286 I287 | M279-A283 HydrophobicContact CE-CB 4.25Å; M279-A283 WeakPolarHBondContact O-CB 3.48Å; M279-A283 PolarHBondContact O-N 3Å; S280-A283 PolarHBondContact O-N 3.48Å; A283-S285 VanDerWaalsContact C-N 3.29Å; A283-S285 PolarHBondContact O-N 2.64Å; A283-L286 PolarHBondContact O-N 3.22Å; A283-I287 VanDerWaalsContact O-CG1 3.3Å; A283-I287 WeakPolarHBondContact O-CG1 3.36Å; A283-I287 PolarHBondContact O-N 2.99Å |
| 284 | E | 98.4 | Very high | 97.5 | Very high | 102 Ų | 102 | 98.1 Ų | 98.1 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -54 | -45.4 | 175.1 | -76.1 | 167 | -160.8 | 0 | 0 | 111.5 | S280 K281 A288 | S280-E284 WeakPolarHBondContact O-CB 3.23Å; S280-E284 VanDerWaalsContact O-CG 3.22Å; S280-E284 WeakPolarHBondContact O-CG 3.37Å; S280-E284 PolarHBondContact O-N 2.84Å; K281-E284 IonicContact NZ-OE1 2.7Å; K281-E284 IonicContact NZ-OE2 3.94Å; K281-E284 PolarHBondContact NZ-OE2 2.73Å; E284-A288 WeakPolarHBondContact O-CB 3.49Å; E284-A288 PolarHBondContact O-N 3.05Å |
| 285 | S | 98 | Very high | 97.5 | Very high | 78 Ų | 78 | 96.5 Ų | 96.5 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 180 | -174 | 0 | 0 | 0 | 0 | 113.1 | K281 V282 A283 Y289 | K281-S285 WeakPolarHBondContact O-CB 3.34Å; K281-S285 PolarHBondContact O-N 3.12Å; V282-S285 PolarHBondContact O-N 3.17Å; A283-S285 VanDerWaalsContact C-N 3.29Å; A283-S285 PolarHBondContact O-N 2.64Å; S285-Y289 WeakPolarHBondContact O-CB 3.46Å; S285-Y289 PolarHBondContact O-N 2.92Å |
| 286 | L | 98.5 | Very high | 97.5 | Very high | 105 Ų | 105 | 89.8 Ų | 89.8 | 55% | 0.55 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70 | -39.7 | 179.3 | -71.2 | 173.8 | 0 | 0 | 0 | 111.7 | V282 A283 T290 | V282-L286 HydrophobicContact CG1-CD1 3.95Å; V282-L286 HydrophobicContact CG1-CG 4.43Å; V282-L286 WeakPolarHBondContact O-CG 3.47Å; V282-L286 PolarHBondContact O-N 3.19Å; A283-L286 PolarHBondContact O-N 3.22Å; L286-T290 WeakPolarHBondContact O-CB 3.48Å; L286-T290 PolarHBondContact O-N 2.87Å; L286-T290 PolarHBondContact O-OG1 3.02Å |
| 287 | I | 98.4 | Very high | 97.6 | Very high | 95 Ų | 95 | 87 Ų | 87 | 49% | 0.487 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.8 | -53.2 | 175.3 | -68.3 | 166.1 | 0 | 0 | 0 | 109.5 | A283 Y289 T290 E291 | A283-I287 VanDerWaalsContact O-CG1 3.3Å; A283-I287 WeakPolarHBondContact O-CG1 3.36Å; A283-I287 PolarHBondContact O-N 2.99Å; I287-Y289 VanDerWaalsContact C-N 3.3Å; I287-Y289 PolarHBondContact O-N 3.34Å; I287-T290 PolarHBondContact O-N 3.32Å; I287-E291 HydrophobicContact CG2-CG 4.24Å; I287-E291 WeakPolarHBondContact CG2-OE1 3.37Å; I287-E291 WeakPolarHBondContact O-CG 3.19Å; I287-E291 PolarHBondContact O-N 3.39Å |
| 288 | A | 98.3 | Very high | 97.5 | Very high | 53 Ų | 53 | 83.9 Ų | 83.9 | 44% | 0.438 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.8 | -40.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E284 Q292 | E284-A288 WeakPolarHBondContact O-CB 3.49Å; E284-A288 PolarHBondContact O-N 3.05Å; A288-Q292 WeakPolarHBondContact O-CB 3.33Å; A288-Q292 PolarHBondContact O-N 2.86Å |
| 289 | Y | 98.1 | Very high | 97.5 | Very high | 121 Ų | 121 | 85.4 Ų | 85.4 | 48% | 0.475 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 173.2 | -176.6 | -91.5 | 0 | 0 | 0 | 110.8 | S285 I287 E291 Q292 Y293 | S285-Y289 WeakPolarHBondContact O-CB 3.46Å; S285-Y289 PolarHBondContact O-N 2.92Å; I287-Y289 VanDerWaalsContact C-N 3.3Å; I287-Y289 PolarHBondContact O-N 3.34Å; Y289-E291 PolarHBondContact O-N 3.22Å; Y289-Q292 WeakPolarHBondContact O-CB 3.45Å; Y289-Q292 PolarHBondContact O-N 3.43Å; Y289-Y293 HydrophobicContact CD1-CD2 4.34Å; Y289-Y293 HydrophobicContact CD2-CD2 4.27Å; Y289-Y293 AromaticContact CD2-CE2 3.81Å; Y289-Y293 HydrophobicContact CD2-CE2 3.81Å; Y289-Y293 HydrophobicContact CE1-CD2 4.07Å; Y289-Y293 HydrophobicContact CE1-CE2 4.2Å; Y289-Y293 HydrophobicContact CE2-CD2 4Å; Y289-Y293 AromaticContact CE2-CE2 3.34Å; Y289-Y293 HydrophobicContact CE2-CE2 3.34Å; Y289-Y293 AromaticContact CE2-CZ 3.96Å; Y289-Y293 HydrophobicContact CG-CD2 4.43Å; Y289-Y293 HydrophobicContact CG-CE2 4.41Å; Y289-Y293 AromaticContact CZ-CD2 3.89Å; Y289-Y293 AromaticContact CZ-CE2 3.55Å; Y289-Y293 VanDerWaalsContact O-CD2 3.28Å; Y289-Y293 WeakPolarHBondContact O-CD2 3.48Å; Y289-Y293 PolarHBondContact O-N 3.1Å |
| 290 | T | 98.2 | Very high | 97.4 | Very high | 85 Ų | 85 | 84.3 Ų | 84.3 | 52% | 0.521 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | -179.4 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | L286 I287 Q292 Y293 V294 | L286-T290 WeakPolarHBondContact O-CB 3.48Å; L286-T290 PolarHBondContact O-N 2.87Å; L286-T290 PolarHBondContact O-OG1 3.02Å; I287-T290 PolarHBondContact O-N 3.32Å; T290-Q292 VanDerWaalsContact C-N 3.27Å; T290-Q292 PolarHBondContact O-N 2.71Å; T290-Y293 PolarHBondContact O-N 3.3Å; T290-Y293 VanDerWaalsContact O-N 3.17Å; T290-V294 PolarHBondContact O-N 3.39Å |
| 291 | E | 97.6 | Very high | 97.3 | Very high | 133 Ų | 133 | 83.6 Ų | 83.6 | 62% | 0.621 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.7 | -37.1 | 176.6 | -71.8 | 175.7 | 169.6 | 0 | 0 | 112.2 | I287 Y289 Y293 V294 | I287-E291 HydrophobicContact CG2-CG 4.24Å; I287-E291 WeakPolarHBondContact CG2-OE1 3.37Å; I287-E291 WeakPolarHBondContact O-CG 3.19Å; I287-E291 PolarHBondContact O-N 3.39Å; Y289-E291 PolarHBondContact O-N 3.22Å; E291-Y293 VanDerWaalsContact C-N 3.29Å; E291-Y293 PolarHBondContact O-N 3Å; E291-V294 VanDerWaalsContact O-CG1 3.29Å; E291-V294 WeakPolarHBondContact O-CG1 3.38Å |
| 292 | Q | 97.6 | Very high | 97.1 | Very high | 77 Ų | 77 | 83.4 Ų | 83.4 | 36% | 0.36 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.7 | -32 | 178.3 | -175.6 | 173.8 | 34.3 | 0 | 0 | 113.1 | A288 Y289 T290 F335 | A288-Q292 WeakPolarHBondContact O-CB 3.33Å; A288-Q292 PolarHBondContact O-N 2.86Å; Y289-Q292 WeakPolarHBondContact O-CB 3.45Å; Y289-Q292 PolarHBondContact O-N 3.43Å; T290-Q292 VanDerWaalsContact C-N 3.27Å; T290-Q292 PolarHBondContact O-N 2.71Å; Q292-F335 HydrophobicContact CG-CD1 4.04Å; Q292-F335 HydrophobicContact CG-CD2 3.72Å; Q292-F335 HydrophobicContact CG-CE1 4.05Å; Q292-F335 HydrophobicContact CG-CE2 3.72Å; Q292-F335 HydrophobicContact CG-CG 3.86Å; Q292-F335 HydrophobicContact CG-CZ 3.87Å; Q292-F335 VanDerWaalsContact NE2-CD1 3.26Å; Q292-F335 VanDerWaalsContact NE2-CG 3.28Å; Q292-F335 VanDerWaalsContact O-CE2 3.29Å; Q292-F335 WeakPolarHBondContact O-CE2 3.33Å; Q292-F335 WeakPolarHBondContact O-CZ 3.47Å |
| 293 | Y | 97.4 | Very high | 96.7 | Very high | 29 Ų | 29 | 82 Ų | 82 | 11% | 0.114 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -102.5 | -1.4 | -177.5 | -71.3 | -97.6 | 0 | 0 | 0 | 113.9 | Y289 T290 E291 E295 Y296 D297 R332 F335 E339 | Y289-Y293 HydrophobicContact CD1-CD2 4.34Å; Y289-Y293 HydrophobicContact CD2-CD2 4.27Å; Y289-Y293 AromaticContact CD2-CE2 3.81Å; Y289-Y293 HydrophobicContact CD2-CE2 3.81Å; Y289-Y293 HydrophobicContact CE1-CD2 4.07Å; Y289-Y293 HydrophobicContact CE1-CE2 4.2Å; Y289-Y293 HydrophobicContact CE2-CD2 4Å; Y289-Y293 AromaticContact CE2-CE2 3.34Å; Y289-Y293 HydrophobicContact CE2-CE2 3.34Å; Y289-Y293 AromaticContact CE2-CZ 3.96Å; Y289-Y293 HydrophobicContact CG-CD2 4.43Å; Y289-Y293 HydrophobicContact CG-CE2 4.41Å; Y289-Y293 AromaticContact CZ-CD2 3.89Å; Y289-Y293 AromaticContact CZ-CE2 3.55Å; Y289-Y293 VanDerWaalsContact O-CD2 3.28Å; Y289-Y293 WeakPolarHBondContact O-CD2 3.48Å; Y289-Y293 PolarHBondContact O-N 3.1Å; T290-Y293 PolarHBondContact O-N 3.3Å; T290-Y293 VanDerWaalsContact O-N 3.17Å; E291-Y293 VanDerWaalsContact C-N 3.29Å; E291-Y293 PolarHBondContact O-N 3Å; Y293-E295 VanDerWaalsContact C-N 3.25Å; Y293-E295 PolarHBondContact O-N 2.98Å; Y293-Y296 CarbonylContact O-C 3.57Å; Y293-Y296 WeakPolarHBondContact O-CA 3.5Å; Y293-Y296 WeakPolarHBondContact O-CB 3.4Å; Y293-Y296 PolarHBondContact O-N 3.21Å; Y293-D297 PolarHBondContact O-N 2.85Å; Y293-R332 HydrophobicContact CE1-CG 4.35Å; Y293-F335 HydrophobicContact CD1-CD2 4.28Å; Y293-F335 HydrophobicContact CD1-CE2 4.42Å; Y293-F335 HydrophobicContact CD2-CD2 4.46Å; Y293-F335 AromaticContact CE1-CD2 3.81Å; Y293-F335 HydrophobicContact CE1-CD2 3.81Å; Y293-F335 HydrophobicContact CE1-CE2 4.37Å; Y293-F335 HydrophobicContact CE2-CD2 4Å; Y293-F335 AromaticContact CZ-CD2 3.66Å; Y293-E339 HydrophobicContact CE1-CG 4.42Å; Y293-E339 VanDerWaalsContact OH-CD 3.32Å; Y293-E339 WeakPolarHBondContact OH-CG 3.37Å |
| 294 | V | 97.3 | Very high | 96.2 | Very high | 51 Ų | 51 | 87.1 Ų | 87.1 | 31% | 0.309 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -58.7 | -35.4 | -176.7 | 76.8 | 0 | 0 | 0 | 0 | 112.9 | T290 E291 Y296 D297 I300 T301 | T290-V294 PolarHBondContact O-N 3.39Å; E291-V294 VanDerWaalsContact O-CG1 3.29Å; E291-V294 WeakPolarHBondContact O-CG1 3.38Å; V294-Y296 PolarHBondContact O-N 3.32Å; V294-D297 PolarHBondContact O-N 3.18Å; V294-I300 HydrophobicContact CG2-CB 4.28Å; V294-I300 HydrophobicContact CG2-CD1 4.1Å; V294-I300 HydrophobicContact CG2-CG2 3.66Å; V294-T301 WeakPolarHBondContact O-CB 3.21Å; V294-T301 PolarHBondContact O-OG1 3.3Å |
| 295 | E | 95.4 | Very high | 95.9 | Very high | 104 Ų | 104 | 85.8 Ų | 85.8 | 49% | 0.486 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -66.8 | -16 | 175.5 | -66.7 | -175.6 | 164.9 | 0 | 0 | 113 | Y293 K331 | Y293-E295 VanDerWaalsContact C-N 3.25Å; Y293-E295 PolarHBondContact O-N 2.98Å; E295-K331 IonicContact OE2-NZ 3.75Å; E295-K331 PolarHBondContact OE2-NZ 2.92Å |
| 296 | Y | 94.9 | Very high | 95.8 | Very high | 45 Ų | 45 | 83.4 Ų | 83.4 | 18% | 0.176 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -108.5 | -0.5 | -177.1 | -59.6 | -96.8 | 0 | 0 | 0 | 112.8 | Y293 V294 P298 Q328 R332 F335 | Y293-Y296 CarbonylContact O-C 3.57Å; Y293-Y296 WeakPolarHBondContact O-CA 3.5Å; Y293-Y296 WeakPolarHBondContact O-CB 3.4Å; Y293-Y296 PolarHBondContact O-N 3.21Å; V294-Y296 PolarHBondContact O-N 3.32Å; Y296-P298 WeakPolarHBondContact O-CD 3.22Å; Y296-Q328 HydrophobicContact CE1-CB 3.99Å; Y296-Q328 WeakPolarHBondContact CE1-O 3.25Å; Y296-Q328 PolarHBondContact OH-O 2.93Å; Y296-Q328 VanDerWaalsContact OH-O 3.11Å; Y296-R332 HydrophobicContact CE1-CB 3.88Å; Y296-R332 HydrophobicContact CE1-CG 4.42Å; Y296-F335 HydrophobicContact CD2-CE2 4.02Å; Y296-F335 HydrophobicContact CD2-CZ 4.45Å; Y296-F335 AromaticContact CE2-CE2 3.44Å; Y296-F335 HydrophobicContact CE2-CE2 3.44Å; Y296-F335 VanDerWaalsContact CE2-CE2 3.44Å; Y296-F335 AromaticContact CE2-CZ 3.51Å; Y296-F335 HydrophobicContact CE2-CZ 3.51Å; Y296-F335 AromaticContact CZ-CE2 3.98Å; Y296-F335 AromaticContact CZ-CZ 3.95Å |
| 297 | D | 96.8 | Very high | 95.6 | Very high | 59 Ų | 59 | 79.9 Ų | 79.9 | 32% | 0.316 | 42% | 0.421 | S | S | . | . | trans | -90.3 | 110.2 | 177.7 | -169.9 | -32.4 | 0 | 0 | 0 | 110 | Y293 V294 F299 I300 T301 | Y293-D297 PolarHBondContact O-N 2.85Å; V294-D297 PolarHBondContact O-N 3.18Å; D297-F299 PolarHBondContact O-N 3.34Å; D297-F299 VanDerWaalsContact O-N 3.12Å; D297-F299 WeakPolarHBondContact OD1-CB 3.16Å; D297-F299 PolarHBondContact OD1-N 3.25Å; D297-I300 HydrophobicContact CB-CB 4.37Å; D297-I300 HydrophobicContact CB-CD1 4.38Å; D297-I300 HydrophobicContact CB-CG1 4.37Å; D297-I300 PolarHBondContact O-N 3.11Å; D297-I300 VanDerWaalsContact O-N 3.08Å; D297-T301 PolarHBondContact O-N 3.2Å; D297-T301 VanDerWaalsContact O-O 3.13Å | ||
| 298 | P | 94.7 | Very high | 95.6 | Very high | 67 Ų | 67 | 75.7 Ų | 75.7 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -12.4 | -177.1 | -20.5 | 34.6 | 0 | 0 | 0 | 114.6 | Y296 T301 A303 | Y296-P298 WeakPolarHBondContact O-CD 3.22Å; P298-T301 WeakPolarHBondContact CA-O 3.38Å; P298-A303 HydrophobicContact CB-CB 4.39Å |
| 299 | F | 96.8 | Very high | 95.5 | Very high | 195 Ų | 195 | 82.7 Ų | 82.7 | 86% | 0.855 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -23.2 | 175 | -65.7 | -73.7 | 0 | 0 | 0 | 112.7 | D297 | D297-F299 PolarHBondContact O-N 3.34Å; D297-F299 VanDerWaalsContact O-N 3.12Å; D297-F299 WeakPolarHBondContact OD1-CB 3.16Å; D297-F299 PolarHBondContact OD1-N 3.25Å |
| 300 | I | 96.8 | Very high | 95.4 | Very high | 108 Ų | 108 | 83.7 Ų | 83.7 | 55% | 0.554 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -49.9 | -178.5 | -56.2 | 177.1 | 0 | 0 | 0 | 110.4 | V294 D297 | V294-I300 HydrophobicContact CG2-CB 4.28Å; V294-I300 HydrophobicContact CG2-CD1 4.1Å; V294-I300 HydrophobicContact CG2-CG2 3.66Å; D297-I300 HydrophobicContact CB-CB 4.37Å; D297-I300 HydrophobicContact CB-CD1 4.38Å; D297-I300 HydrophobicContact CB-CG1 4.37Å; D297-I300 PolarHBondContact O-N 3.11Å; D297-I300 VanDerWaalsContact O-N 3.08Å |
| 301 | T | 95.4 | Very high | 95.4 | Very high | 48 Ų | 48 | 82 Ų | 82 | 29% | 0.294 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -107.1 | 126.5 | -179.5 | -56.2 | 0 | 0 | 0 | 0 | 109.3 | V294 D297 P298 A303 | V294-T301 WeakPolarHBondContact O-CB 3.21Å; V294-T301 PolarHBondContact O-OG1 3.3Å; D297-T301 PolarHBondContact O-N 3.2Å; D297-T301 VanDerWaalsContact O-O 3.13Å; P298-T301 WeakPolarHBondContact CA-O 3.38Å; T301-A303 PolarHBondContact O-N 3Å |
| 302 | P | 93.4 | Very high | 95.3 | Very high | 112 Ų | 112 | 82.8 Ų | 82.8 | 73% | 0.727 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 125.9 | 177.5 | -25.5 | 34.4 | 0 | 0 | 0 | 111.8 | ||
| 303 | A | 90.6 | Very high | 95.3 | Very high | 20 Ų | 20 | 82.1 Ų | 82.1 | 17% | 0.165 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 137 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | P298 T301 P305 S306 L316 | P298-A303 HydrophobicContact CB-CB 4.39Å; T301-A303 PolarHBondContact O-N 3Å; A303-P305 CarbonylContact O-C 3.57Å; A303-S306 CarbonylContact O-C 3.57Å; A303-S306 WeakPolarHBondContact O-CA 3.4Å; A303-S306 PolarHBondContact O-N 3.48Å; A303-L316 HydrophobicContact CB-CD2 3.69Å |
| 304 | E | 88.8 | Confident | 95.2 | Very high | 142 Ų | 142 | 85.1 Ų | 85.1 | 66% | 0.664 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -101.1 | 128.9 | 177.8 | -66.6 | -173.4 | 173.5 | 0 | 0 | 111.1 | L316 | E304-L316 WeakPolarHBondContact O-CD1 3.46Š|
| 305 | P | 91.3 | Very high | 95.2 | Very high | 75 Ų | 75 | 85.4 Ų | 85.4 | 49% | 0.487 | 45% | 0.445 | S | S | . | . | S | Bend | cis | -81 | -30.7 | 11.2 | 30.1 | -35 | 0 | 0 | 0 | 114.5 | A303 T315 | A303-P305 CarbonylContact O-C 3.57Å; P305-T315 HydrophobicContact CG-CG2 4.02Å |
| 306 | S | 94.8 | Very high | 95.1 | Very high | 28 Ų | 28 | 81.3 Ų | 81.3 | 20% | 0.196 | 43% | 0.427 | C | S | . | . | trans | -161.2 | 160.1 | 173.3 | 63 | 0 | 0 | 0 | 0 | 110.2 | A303 P308 S311 | A303-S306 CarbonylContact O-C 3.57Å; A303-S306 WeakPolarHBondContact O-CA 3.4Å; A303-S306 PolarHBondContact O-N 3.48Å; S306-P308 VanDerWaalsContact O-CD 3.32Å; S306-P308 WeakPolarHBondContact O-CD 3.22Å; S306-S311 WeakPolarHBondContact OG-CB 3.21Å; S306-S311 PolarHBondContact OG-OG 3.04Å | ||
| 307 | N | 95.9 | Very high | 95.1 | Very high | 31 Ų | 31 | 83.9 Ų | 83.9 | 17% | 0.166 | 44% | 0.436 | C | S | . | . | trans | -75.1 | 116.8 | 172.6 | -175.7 | -25.4 | 0 | 0 | 0 | 109.8 | W309 I310 S311 | N307-W309 PolarHBondContact O-N 3.37Å; N307-W309 VanDerWaalsContact O-N 3.07Å; N307-W309 WeakPolarHBondContact OD1-CB 3.48Å; N307-W309 VanDerWaalsContact OD1-CD1 3.24Å; N307-W309 PolarHBondContact OD1-N 2.84Å; N307-W309 VanDerWaalsContact OD1-N 3.09Å; N307-I310 HydrophobicContact CB-CB 4.47Å; N307-I310 HydrophobicContact CB-CD1 4.1Å; N307-I310 HydrophobicContact CB-CG1 4.24Å; N307-I310 PolarHBondContact O-N 3.49Å; N307-S311 PolarHBondContact O-N 3.09Å; N307-S311 PolarHBondContact O-OG 2.99Å; N307-S311 VanDerWaalsContact O-OG 3.06Å | ||
| 308 | P | 97 | Very high | 95 | Very high | 7 Ų | 7 | 85.7 Ų | 85.7 | 5% | 0.045 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -58 | -27.1 | -175.5 | -27.4 | 36.4 | 0 | 0 | 0 | 114.2 | S306 I310 D312 D313 L316 W317 | S306-P308 VanDerWaalsContact O-CD 3.32Å; S306-P308 WeakPolarHBondContact O-CD 3.22Å; P308-I310 VanDerWaalsContact C-N 3.25Å; P308-I310 PolarHBondContact O-N 2.92Å; P308-D312 WeakPolarHBondContact O-CA 3.48Å; P308-D312 PolarHBondContact O-N 2.94Å; P308-D313 WeakPolarHBondContact CA-O 3.41Å; P308-D313 WeakPolarHBondContact CB-O 3.28Å; P308-D313 WeakPolarHBondContact CG-O 3.38Å; P308-L316 HydrophobicContact CG-CB 3.95Å; P308-L316 HydrophobicContact CG-CD2 4.24Å; P308-W317 HydrophobicContact CB-CD2 4.23Å; P308-W317 HydrophobicContact CB-CE3 4.44Å; P308-W317 HydrophobicContact CB-CH2 4.08Å; P308-W317 HydrophobicContact CB-CZ2 3.83Å; P308-W317 HydrophobicContact CB-CZ3 4.38Å; P308-W317 HydrophobicContact CG-CD2 4.03Å; P308-W317 HydrophobicContact CG-CG 4.26Å; P308-W317 HydrophobicContact CG-CZ2 4.18Å |
| 309 | W | 96.9 | Very high | 94.8 | Very high | 200 Ų | 200 | 84.7 Ų | 84.7 | 76% | 0.758 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -73.5 | -15.5 | 178.1 | -58.2 | 108.7 | 0 | 0 | 0 | 113.9 | N307 W317 | N307-W309 PolarHBondContact O-N 3.37Å; N307-W309 VanDerWaalsContact O-N 3.07Å; N307-W309 WeakPolarHBondContact OD1-CB 3.48Å; N307-W309 VanDerWaalsContact OD1-CD1 3.24Å; N307-W309 PolarHBondContact OD1-N 2.84Å; N307-W309 VanDerWaalsContact OD1-N 3.09Å; W309-W317 HydrophobicContact CD2-CZ2 4.45Å; W309-W317 AromaticContact CE2-CZ2 3.75Å; W309-W317 HydrophobicContact CH2-CH2 4.23Å; W309-W317 HydrophobicContact CH2-CZ2 4.49Å; W309-W317 AromaticContact CZ2-CH2 3.97Å; W309-W317 HydrophobicContact CZ2-CH2 3.97Å; W309-W317 AromaticContact CZ2-CZ2 3.78Å; W309-W317 HydrophobicContact CZ2-CZ2 3.78Å; W309-W317 AromaticContact NE1-CZ2 3.84Å |
| 310 | I | 96.8 | Very high | 94.6 | Very high | 141 Ų | 141 | 80.7 Ų | 80.7 | 72% | 0.723 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -107.7 | -38.9 | -178.8 | -57.7 | 177.5 | 0 | 0 | 0 | 110.5 | N307 P308 | N307-I310 HydrophobicContact CB-CB 4.47Å; N307-I310 HydrophobicContact CB-CD1 4.1Å; N307-I310 HydrophobicContact CB-CG1 4.24Å; N307-I310 PolarHBondContact O-N 3.49Å; P308-I310 VanDerWaalsContact C-N 3.25Å; P308-I310 PolarHBondContact O-N 2.92Å |
| 311 | S | 96.6 | Very high | 94.3 | Very high | 51 Ų | 51 | 83.1 Ų | 83.1 | 36% | 0.357 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -96.6 | -11.9 | -174.4 | 59.7 | 0 | 0 | 0 | 0 | 114.6 | S306 N307 D313 | S306-S311 WeakPolarHBondContact OG-CB 3.21Å; S306-S311 PolarHBondContact OG-OG 3.04Å; N307-S311 PolarHBondContact O-N 3.09Å; N307-S311 PolarHBondContact O-OG 2.99Å; N307-S311 VanDerWaalsContact O-OG 3.06Å; S311-D313 PolarHBondContact O-N 3.14Å; S311-D313 VanDerWaalsContact O-N 3.15Å; S311-D313 PolarHBondContact OG-N 3.1Å |
| 312 | D | 96.4 | Very high | 94.2 | Very high | 149 Ų | 149 | 82.8 Ų | 82.8 | 80% | 0.797 | 43% | 0.431 | S | S | * | . | trans | 55.4 | 20.7 | -167.8 | -62 | -36.5 | 0 | 0 | 0 | 113.6 | P308 | P308-D312 WeakPolarHBondContact O-CA 3.48Å; P308-D312 PolarHBondContact O-N 2.94Å | ||
| 313 | D | 96.3 | Very high | 94.1 | Very high | 62 Ų | 62 | 86.5 Ų | 86.5 | 33% | 0.332 | 44% | 0.436 | S | S | . | . | trans | -103.6 | 112.6 | 176.1 | -179.7 | 7.9 | 0 | 0 | 0 | 110.9 | P308 S311 T315 | P308-D313 WeakPolarHBondContact CA-O 3.41Å; P308-D313 WeakPolarHBondContact CB-O 3.28Å; P308-D313 WeakPolarHBondContact CG-O 3.38Å; S311-D313 PolarHBondContact O-N 3.14Å; S311-D313 VanDerWaalsContact O-N 3.15Å; S311-D313 PolarHBondContact OG-N 3.1Å; D313-T315 PolarHBondContact O-N 2.83Å; D313-T315 WeakPolarHBondContact OD1-CB 3.36Å; D313-T315 PolarHBondContact OD1-N 2.84Å; D313-T315 PolarHBondContact OD1-OG1 2.8Å; D313-T315 PolarHBondContact OD2-OG1 3.26Å | ||
| 314 | I | 97 | Very high | 94.1 | Very high | 92 Ų | 92 | 93.2 Ų | 93.2 | 47% | 0.472 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -0.8 | -178.5 | 63.8 | 169.7 | 0 | 0 | 0 | 114.1 | L316 W317 D318 | I314-L316 PolarHBondContact O-N 3.41Å; I314-L316 VanDerWaalsContact O-N 3.08Å; I314-W317 HydrophobicContact CB-CE3 4.16Å; I314-W317 HydrophobicContact CG2-CE3 3.92Å; I314-W317 HydrophobicContact CG2-CZ3 3.99Å; I314-W317 PolarHBondContact O-N 2.99Å; I314-D318 PolarHBondContact O-N 3.04Å |
| 315 | T | 95.9 | Very high | 94.2 | Very high | 57 Ų | 57 | 87.9 Ų | 87.9 | 35% | 0.35 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -53.2 | -35.2 | -175.8 | -62.6 | 0 | 0 | 0 | 0 | 112.8 | P305 D313 D318 I319 | P305-T315 HydrophobicContact CG-CG2 4.02Å; D313-T315 PolarHBondContact O-N 2.83Å; D313-T315 WeakPolarHBondContact OD1-CB 3.36Å; D313-T315 PolarHBondContact OD1-N 2.84Å; D313-T315 PolarHBondContact OD1-OG1 2.8Å; D313-T315 PolarHBondContact OD2-OG1 3.26Å; T315-D318 PolarHBondContact O-N 2.96Å; T315-I319 HydrophobicContact CG2-CD1 3.85Å; T315-I319 HydrophobicContact CG2-CG1 4.38Å; T315-I319 VanDerWaalsContact O-CG1 3.26Å; T315-I319 WeakPolarHBondContact O-CG1 3.35Å; T315-I319 PolarHBondContact O-N 2.67Å |
| 316 | L | 93.6 | Very high | 94.3 | Very high | 19 Ų | 19 | 86.3 Ų | 86.3 | 10% | 0.099 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59.1 | -48.7 | 175.4 | 175.7 | 65.8 | 0 | 0 | 0 | 111.8 | A303 E304 P308 I314 D318 I319 E320 | A303-L316 HydrophobicContact CB-CD2 3.69Å; E304-L316 WeakPolarHBondContact O-CD1 3.46Å; P308-L316 HydrophobicContact CG-CB 3.95Å; P308-L316 HydrophobicContact CG-CD2 4.24Å; I314-L316 PolarHBondContact O-N 3.41Å; I314-L316 VanDerWaalsContact O-N 3.08Å; L316-D318 VanDerWaalsContact C-N 3.32Å; L316-D318 PolarHBondContact O-N 2.71Å; L316-I319 WeakPolarHBondContact O-CB 3.49Å; L316-I319 PolarHBondContact O-N 3.47Å; L316-E320 HydrophobicContact CD1-CG 4.38Å; L316-E320 WeakPolarHBondContact O-CG 3.43Å; L316-E320 PolarHBondContact O-N 3.3Å |
| 317 | W | 95.3 | Very high | 94.1 | Very high | 99 Ų | 99 | 89.5 Ų | 89.5 | 38% | 0.375 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.4 | -38.6 | -179.6 | -65.5 | -25 | 0 | 0 | 0 | 111.8 | P308 W309 I314 I319 E320 M321 | P308-W317 HydrophobicContact CB-CD2 4.23Å; P308-W317 HydrophobicContact CB-CE3 4.44Å; P308-W317 HydrophobicContact CB-CH2 4.08Å; P308-W317 HydrophobicContact CB-CZ2 3.83Å; P308-W317 HydrophobicContact CB-CZ3 4.38Å; P308-W317 HydrophobicContact CG-CD2 4.03Å; P308-W317 HydrophobicContact CG-CG 4.26Å; P308-W317 HydrophobicContact CG-CZ2 4.18Å; W309-W317 HydrophobicContact CD2-CZ2 4.45Å; W309-W317 AromaticContact CE2-CZ2 3.75Å; W309-W317 HydrophobicContact CH2-CH2 4.23Å; W309-W317 HydrophobicContact CH2-CZ2 4.49Å; W309-W317 AromaticContact CZ2-CH2 3.97Å; W309-W317 HydrophobicContact CZ2-CH2 3.97Å; W309-W317 AromaticContact CZ2-CZ2 3.78Å; W309-W317 HydrophobicContact CZ2-CZ2 3.78Å; W309-W317 AromaticContact NE1-CZ2 3.84Å; I314-W317 HydrophobicContact CB-CE3 4.16Å; I314-W317 HydrophobicContact CG2-CE3 3.92Å; I314-W317 HydrophobicContact CG2-CZ3 3.99Å; I314-W317 PolarHBondContact O-N 2.99Å; W317-I319 VanDerWaalsContact C-N 3.32Å; W317-I319 PolarHBondContact O-N 3.26Å; W317-E320 PolarHBondContact O-N 3.41Å; W317-M321 WeakPolarHBondContact O-CB 3.45Å; W317-M321 WeakPolarHBondContact O-CG 3.48Å; W317-M321 PolarHBondContact O-N 3.32Å |
| 318 | D | 94.7 | Very high | 93.9 | Very high | 97 Ų | 97 | 92.2 Ų | 92.2 | 52% | 0.519 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 174.6 | -72.4 | -24.5 | 0 | 0 | 0 | 111.6 | I314 T315 L316 M321 S322 | I314-D318 PolarHBondContact O-N 3.04Å; T315-D318 PolarHBondContact O-N 2.96Å; L316-D318 VanDerWaalsContact C-N 3.32Å; L316-D318 PolarHBondContact O-N 2.71Å; D318-M321 PolarHBondContact O-N 3.13Å; D318-S322 PolarHBondContact O-N 3.22Å; D318-S322 VanDerWaalsContact O-N 3.1Å |
| 319 | I | 91.6 | Very high | 93.8 | Very high | 45 Ų | 45 | 94 Ų | 94 | 23% | 0.231 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 175.1 | -68.7 | 165.5 | 0 | 0 | 0 | 110.8 | T315 L316 W317 M321 S322 | T315-I319 HydrophobicContact CG2-CD1 3.85Å; T315-I319 HydrophobicContact CG2-CG1 4.38Å; T315-I319 VanDerWaalsContact O-CG1 3.26Å; T315-I319 WeakPolarHBondContact O-CG1 3.35Å; T315-I319 PolarHBondContact O-N 2.67Å; L316-I319 WeakPolarHBondContact O-CB 3.49Å; L316-I319 PolarHBondContact O-N 3.47Å; W317-I319 VanDerWaalsContact C-N 3.32Å; W317-I319 PolarHBondContact O-N 3.26Å; I319-M321 VanDerWaalsContact C-N 3.35Å; I319-M321 PolarHBondContact O-N 3.23Å; I319-S322 WeakPolarHBondContact O-CB 3.24Å; I319-S322 PolarHBondContact O-N 3.39Å |
| 320 | E | 90.9 | Very high | 93.8 | Very high | 112 Ų | 112 | 84.5 Ų | 84.5 | 52% | 0.523 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.7 | -34.4 | 179.4 | -72.9 | -174.3 | 160.3 | 0 | 0 | 112.7 | L316 W317 S322 R329 | L316-E320 HydrophobicContact CD1-CG 4.38Å; L316-E320 WeakPolarHBondContact O-CG 3.43Å; L316-E320 PolarHBondContact O-N 3.3Å; W317-E320 PolarHBondContact O-N 3.41Å; E320-S322 VanDerWaalsContact C-N 3.31Å; E320-R329 PolarHBondContact O-NH1 3.21Å |
| 321 | M | 91.5 | Very high | 93.8 | Very high | 159 Ų | 159 | 81.8 Ų | 81.8 | 78% | 0.783 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -80.8 | -10 | 176.2 | -69.6 | -175 | 64.9 | 0 | 0 | 113.9 | W317 D318 I319 | W317-M321 WeakPolarHBondContact O-CB 3.45Å; W317-M321 WeakPolarHBondContact O-CG 3.48Å; W317-M321 PolarHBondContact O-N 3.32Å; D318-M321 PolarHBondContact O-N 3.13Å; I319-M321 VanDerWaalsContact C-N 3.35Å; I319-M321 PolarHBondContact O-N 3.23Å |
| 322 | S | 92.3 | Very high | 93.8 | Very high | 41 Ų | 41 | 83.9 Ų | 83.9 | 29% | 0.287 | 41% | 0.408 | S | S | . | . | trans | -58.7 | 148.6 | -179.3 | -176.3 | 0 | 0 | 0 | 0 | 112.5 | D318 I319 E320 E324 R329 | D318-S322 PolarHBondContact O-N 3.22Å; D318-S322 VanDerWaalsContact O-N 3.1Å; I319-S322 WeakPolarHBondContact O-CB 3.24Å; I319-S322 PolarHBondContact O-N 3.39Å; E320-S322 VanDerWaalsContact C-N 3.31Å; S322-E324 VanDerWaalsContact C-N 3.26Å; S322-E324 PolarHBondContact OG-N 3.47Å; S322-E324 PolarHBondContact OG-O 2.86Å; S322-R329 PolarHBondContact O-NH1 2.82Å | ||
| 323 | K | 91.5 | Very high | 93.8 | Very high | 190 Ų | 190 | 76.9 Ų | 76.9 | 83% | 0.826 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -75.7 | -17.9 | 168.3 | -66.9 | -173.7 | 178.8 | -177.5 | 0 | 112.5 | P325 | K323-P325 WeakPolarHBondContact O-CD 3.31Š|
| 324 | E | 90.9 | Very high | 93.9 | Very high | 160 Ų | 160 | 75.1 Ų | 75.1 | 75% | 0.748 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -96.5 | 102.3 | 172.1 | -66.8 | -177.5 | -177.6 | 0 | 0 | 108.5 | S322 | S322-E324 VanDerWaalsContact C-N 3.26Å; S322-E324 PolarHBondContact OG-N 3.47Å; S322-E324 PolarHBondContact OG-O 2.86Å |
| 325 | P | 91.9 | Very high | 93.9 | Very high | 30 Ų | 30 | 72.7 Ų | 72.7 | 20% | 0.195 | 35% | 0.354 | C | S | . | . | trans | -73.9 | 143.1 | -172.5 | 32.7 | -35.4 | 0 | 0 | 0 | 110.5 | K323 R329 V330 W333 V345 | K323-P325 WeakPolarHBondContact O-CD 3.31Å; P325-R329 HydrophobicContact CB-CB 4.37Å; P325-R329 HydrophobicContact CB-CG 4.27Å; P325-V330 HydrophobicContact CB-CG2 3.83Å; P325-V330 HydrophobicContact CG-CG2 3.63Å; P325-W333 HydrophobicContact CB-CH2 4.08Å; P325-W333 HydrophobicContact CB-CZ2 3.96Å; P325-W333 HydrophobicContact CG-CH2 3.76Å; P325-W333 HydrophobicContact CG-CZ2 4.17Å; P325-V345 HydrophobicContact CG-CG1 4.09Å | ||
| 326 | S | 91.6 | Very high | 94 | Very high | 42 Ų | 42 | 71.4 Ų | 71.4 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | trans | -67.8 | 159.7 | 170.8 | 71.6 | 0 | 0 | 0 | 0 | 111.2 | Q328 R329 V330 | S326-Q328 VanDerWaalsContact C-N 3.26Å; S326-Q328 PolarHBondContact O-N 2.92Å; S326-R329 WeakPolarHBondContact O-CB 3.31Å; S326-R329 PolarHBondContact O-N 3.46Å; S326-R329 VanDerWaalsContact O-N 3.1Å; S326-R329 WeakPolarHBondContact OG-CB 3.48Å; S326-R329 PolarHBondContact OG-N 3.05Å; S326-V330 WeakPolarHBondContact O-CG2 3.37Å; S326-V330 PolarHBondContact O-N 3.21Å | ||
| 327 | Q | 91.9 | Very high | 94.2 | Very high | 95 Ų | 95 | 70.6 Ų | 70.6 | 44% | 0.444 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.2 | -39.8 | 176.6 | -174.5 | 178.4 | 37.8 | 0 | 0 | 112.3 | V330 K331 L451 | Q327-V330 PolarHBondContact O-N 3.33Å; Q327-K331 WeakPolarHBondContact O-CB 3.29Å; Q327-K331 PolarHBondContact O-N 3.44Å; Q327-L451 WeakPolarHBondContact CG-O 3.42Å; Q327-L451 PolarHBondContact NE2-O 3.19Å |
| 328 | Q | 91.9 | Very high | 94.3 | Very high | 88 Ų | 88 | 68.6 Ų | 68.6 | 41% | 0.411 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 176.1 | -72.1 | 179.2 | -12.9 | 0 | 0 | 111.2 | Y296 S326 V330 K331 R332 | Y296-Q328 HydrophobicContact CE1-CB 3.99Å; Y296-Q328 WeakPolarHBondContact CE1-O 3.25Å; Y296-Q328 PolarHBondContact OH-O 2.93Å; Y296-Q328 VanDerWaalsContact OH-O 3.11Å; S326-Q328 VanDerWaalsContact C-N 3.26Å; S326-Q328 PolarHBondContact O-N 2.92Å; Q328-V330 VanDerWaalsContact C-N 3.32Å; Q328-V330 PolarHBondContact O-N 2.99Å; Q328-K331 PolarHBondContact O-N 3.23Å; Q328-R332 PolarHBondContact O-N 3.34Å |
| 329 | R | 94.7 | Very high | 94.5 | Very high | 46 Ų | 46 | 64.4 Ų | 64.4 | 17% | 0.174 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.7 | -42 | 176.6 | -174.7 | 172.3 | 173.3 | -158.6 | -8.9 | 111.8 | E320 S322 P325 S326 R332 W333 D343 | E320-R329 PolarHBondContact O-NH1 3.21Å; S322-R329 PolarHBondContact O-NH1 2.82Å; P325-R329 HydrophobicContact CB-CB 4.37Å; P325-R329 HydrophobicContact CB-CG 4.27Å; S326-R329 WeakPolarHBondContact O-CB 3.31Å; S326-R329 PolarHBondContact O-N 3.46Å; S326-R329 VanDerWaalsContact O-N 3.1Å; S326-R329 WeakPolarHBondContact OG-CB 3.48Å; S326-R329 PolarHBondContact OG-N 3.05Å; R329-R332 WeakPolarHBondContact O-CB 3.38Å; R329-R332 PolarHBondContact O-N 2.99Å; R329-W333 VanDerWaalsContact O-CD1 3.26Å; R329-W333 PolarHBondContact O-NE1 2.88Å; R329-D343 WeakPolarHBondContact CG-OD2 3.27Å; R329-D343 IonicContact CZ-OD1 2.82Å; R329-D343 IonicContact CZ-OD2 3.83Å; R329-D343 IonicContact NE-OD1 3.08Å; R329-D343 IonicContact NE-OD2 3.41Å; R329-D343 PolarHBondContact NE-OD2 3.3Å; R329-D343 VanDerWaalsContact NH2-CG 3.35Å; R329-D343 IonicContact NH2-OD1 3.29Å; R329-D343 PolarHBondContact NH2-OD1 2.9Å; R329-D343 IonicContact NH2-OD2 3.91Å; R329-D343 PolarHBondContact NH2-OD2 3.05Å |
| 330 | V | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.4 | -45.2 | 175.3 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | P325 S326 Q327 Q328 R332 W333 Y447 L450 L451 | P325-V330 HydrophobicContact CB-CG2 3.83Å; P325-V330 HydrophobicContact CG-CG2 3.63Å; S326-V330 WeakPolarHBondContact O-CG2 3.37Å; S326-V330 PolarHBondContact O-N 3.21Å; Q327-V330 PolarHBondContact O-N 3.33Å; Q328-V330 VanDerWaalsContact C-N 3.32Å; Q328-V330 PolarHBondContact O-N 2.99Å; V330-R332 PolarHBondContact O-N 3.43Å; V330-W333 HydrophobicContact CB-CE3 4.3Å; V330-W333 HydrophobicContact CB-CZ3 4.4Å; V330-W333 HydrophobicContact CG1-CE3 3.95Å; V330-W333 HydrophobicContact CG1-CZ3 4.12Å; V330-W333 HydrophobicContact CG2-CE3 4.33Å; V330-W333 HydrophobicContact CG2-CH2 4.02Å; V330-W333 HydrophobicContact CG2-CZ2 4.44Å; V330-W333 HydrophobicContact CG2-CZ3 3.95Å; V330-W333 VanDerWaalsContact O-CB 3.29Å; V330-W333 WeakPolarHBondContact O-CB 3.32Å; V330-W333 PolarHBondContact O-N 3.19Å; V330-Y447 HydrophobicContact CG1-CD2 4.19Å; V330-Y447 HydrophobicContact CG1-CE2 3.71Å; V330-Y447 PolarHBondContact O-OH 3.25Å; V330-L450 HydrophobicContact CG1-CB 4.03Å; V330-L450 HydrophobicContact CG2-CB 4.4Å; V330-L451 HydrophobicContact CG1-CB 4.27Å; V330-L451 HydrophobicContact CG1-CD1 4.27Å |
| 331 | K | 96.1 | Very high | 95.1 | Very high | 84 Ų | 84 | 57.3 Ų | 57.3 | 37% | 0.365 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -55.2 | -39.2 | 177.4 | -179.4 | -176.8 | 174 | -166.3 | 0 | 111.2 | E295 Q327 Q328 W333 G334 F335 L451 | E295-K331 IonicContact OE2-NZ 3.75Å; E295-K331 PolarHBondContact OE2-NZ 2.92Å; Q327-K331 WeakPolarHBondContact O-CB 3.29Å; Q327-K331 PolarHBondContact O-N 3.44Å; Q328-K331 PolarHBondContact O-N 3.23Å; K331-W333 VanDerWaalsContact C-N 3.31Å; K331-W333 PolarHBondContact O-N 3.39Å; K331-G334 PolarHBondContact O-N 2.97Å; K331-G334 VanDerWaalsContact O-N 3.13Å; K331-F335 HydrophobicContact CG-CE1 4.25Å; K331-L451 HydrophobicContact CB-CD1 3.9Å |
| 332 | R | 96.9 | Very high | 95.3 | Very high | 94 Ų | 94 | 56 Ų | 56 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.2 | -32.6 | 178.1 | -172.2 | 173.9 | 167.8 | 173.5 | -0.1 | 113.3 | Y293 Y296 Q328 R329 V330 G334 F335 E339 | Y293-R332 HydrophobicContact CE1-CG 4.35Å; Y296-R332 HydrophobicContact CE1-CB 3.88Å; Y296-R332 HydrophobicContact CE1-CG 4.42Å; Q328-R332 PolarHBondContact O-N 3.34Å; R329-R332 WeakPolarHBondContact O-CB 3.38Å; R329-R332 PolarHBondContact O-N 2.99Å; V330-R332 PolarHBondContact O-N 3.43Å; R332-G334 PolarHBondContact O-N 3.45Å; R332-F335 HydrophobicContact CB-CD2 4.46Å; R332-F335 HydrophobicContact CG-CD2 4.03Å; R332-F335 HydrophobicContact CG-CE2 4.33Å; R332-F335 WeakPolarHBondContact O-CB 3.43Å; R332-F335 WeakPolarHBondContact O-CG 3.35Å; R332-F335 PolarHBondContact O-N 3.5Å; R332-E339 HydrophobicContact CG-CG 4.33Å; R332-E339 IonicContact CZ-OE2 3.92Å; R332-E339 IonicContact NE-OE2 3.98Å; R332-E339 PolarHBondContact NE-OE2 3.15Å; R332-E339 IonicContact NH2-OE2 3.94Å; R332-E339 PolarHBondContact NH2-OE2 2.87Å; R332-E339 WeakPolarHBondContact O-CB 3.48Å |
| 333 | W | 97.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60 | -27.2 | 175 | -57.8 | -17.7 | 0 | 0 | 0 | 112.7 | P325 R329 V330 K331 F335 I340 D343 V345 Q349 Y438 Y447 L450 | P325-W333 HydrophobicContact CB-CH2 4.08Å; P325-W333 HydrophobicContact CB-CZ2 3.96Å; P325-W333 HydrophobicContact CG-CH2 3.76Å; P325-W333 HydrophobicContact CG-CZ2 4.17Å; R329-W333 VanDerWaalsContact O-CD1 3.26Å; R329-W333 PolarHBondContact O-NE1 2.88Å; V330-W333 HydrophobicContact CB-CE3 4.3Å; V330-W333 HydrophobicContact CB-CZ3 4.4Å; V330-W333 HydrophobicContact CG1-CE3 3.95Å; V330-W333 HydrophobicContact CG1-CZ3 4.12Å; V330-W333 HydrophobicContact CG2-CE3 4.33Å; V330-W333 HydrophobicContact CG2-CH2 4.02Å; V330-W333 HydrophobicContact CG2-CZ2 4.44Å; V330-W333 HydrophobicContact CG2-CZ3 3.95Å; V330-W333 VanDerWaalsContact O-CB 3.29Å; V330-W333 WeakPolarHBondContact O-CB 3.32Å; V330-W333 PolarHBondContact O-N 3.19Å; K331-W333 VanDerWaalsContact C-N 3.31Å; K331-W333 PolarHBondContact O-N 3.39Å; W333-F335 VanDerWaalsContact C-N 3.29Å; W333-F335 PolarHBondContact O-N 2.92Å; W333-I340 HydrophobicContact CB-CB 4.02Å; W333-I340 HydrophobicContact CB-CD1 4.46Å; W333-I340 HydrophobicContact CB-CG1 4.26Å; W333-I340 HydrophobicContact CG-CB 4.41Å; W333-I340 HydrophobicContact CG-CG1 4.37Å; W333-D343 PolarHBondContact NE1-OD2 2.98Å; W333-V345 HydrophobicContact CH2-CB 4.37Å; W333-V345 HydrophobicContact CH2-CG1 3.95Å; W333-V345 HydrophobicContact CZ2-CB 4.13Å; W333-V345 HydrophobicContact CZ2-CG1 4.19Å; W333-Q349 HydrophobicContact CH2-CG 4.38Å; W333-Q349 HydrophobicContact CZ3-CG 4.36Å; W333-Y438 PolarHBondContact O-OH 2.85Å; W333-Y447 HydrophobicContact CB-CE2 4.41Å; W333-Y447 HydrophobicContact CE3-CE2 4.39Å; W333-L450 HydrophobicContact CZ3-CD1 4.2Å |
| 334 | G | 97.3 | Very high | 95.8 | Very high | 25 Ų | 25 | 51 Ų | 51 | 26% | 0.258 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -10.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K331 R332 Y438 | K331-G334 PolarHBondContact O-N 2.97Å; K331-G334 VanDerWaalsContact O-N 3.13Å; R332-G334 PolarHBondContact O-N 3.45Å; G334-Y438 VanDerWaalsContact C-OH 3.28Å; G334-Y438 WeakPolarHBondContact CA-OH 3.5Å; G334-Y438 PolarHBondContact O-OH 3.22Å |
| 335 | F | 97.3 | Very high | 96 | Very high | 42 Ų | 42 | 44 Ų | 44 | 18% | 0.184 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -39.7 | -175.7 | -67.6 | -6 | 0 | 0 | 0 | 112.5 | Q292 Y293 Y296 K331 R332 W333 E339 | Q292-F335 HydrophobicContact CG-CD1 4.04Å; Q292-F335 HydrophobicContact CG-CD2 3.72Å; Q292-F335 HydrophobicContact CG-CE1 4.05Å; Q292-F335 HydrophobicContact CG-CE2 3.72Å; Q292-F335 HydrophobicContact CG-CG 3.86Å; Q292-F335 HydrophobicContact CG-CZ 3.87Å; Q292-F335 VanDerWaalsContact NE2-CD1 3.26Å; Q292-F335 VanDerWaalsContact NE2-CG 3.28Å; Q292-F335 VanDerWaalsContact O-CE2 3.29Å; Q292-F335 WeakPolarHBondContact O-CE2 3.33Å; Q292-F335 WeakPolarHBondContact O-CZ 3.47Å; Y293-F335 HydrophobicContact CD1-CD2 4.28Å; Y293-F335 HydrophobicContact CD1-CE2 4.42Å; Y293-F335 HydrophobicContact CD2-CD2 4.46Å; Y293-F335 AromaticContact CE1-CD2 3.81Å; Y293-F335 HydrophobicContact CE1-CD2 3.81Å; Y293-F335 HydrophobicContact CE1-CE2 4.37Å; Y293-F335 HydrophobicContact CE2-CD2 4Å; Y293-F335 AromaticContact CZ-CD2 3.66Å; Y296-F335 HydrophobicContact CD2-CE2 4.02Å; Y296-F335 HydrophobicContact CD2-CZ 4.45Å; Y296-F335 AromaticContact CE2-CE2 3.44Å; Y296-F335 HydrophobicContact CE2-CE2 3.44Å; Y296-F335 VanDerWaalsContact CE2-CE2 3.44Å; Y296-F335 AromaticContact CE2-CZ 3.51Å; Y296-F335 HydrophobicContact CE2-CZ 3.51Å; Y296-F335 AromaticContact CZ-CE2 3.98Å; Y296-F335 AromaticContact CZ-CZ 3.95Å; K331-F335 HydrophobicContact CG-CE1 4.25Å; R332-F335 HydrophobicContact CB-CD2 4.46Å; R332-F335 HydrophobicContact CG-CD2 4.03Å; R332-F335 HydrophobicContact CG-CE2 4.33Å; R332-F335 WeakPolarHBondContact O-CB 3.43Å; R332-F335 WeakPolarHBondContact O-CG 3.35Å; R332-F335 PolarHBondContact O-N 3.5Å; W333-F335 VanDerWaalsContact C-N 3.29Å; W333-F335 PolarHBondContact O-N 2.92Å; F335-E339 HydrophobicContact CB-CG 4.31Å |
| 336 | S | 97.5 | Very high | 96.3 | Very high | 30 Ų | 30 | 42.6 Ų | 42.6 | 21% | 0.21 | 21% | 0.208 | C | C | . | . | trans | -160.8 | 158.7 | 175.9 | 73.8 | 0 | 0 | 0 | 0 | 110.7 | D338 E339 Y438 | S336-D338 PolarHBondContact O-N 3.16Å; S336-D338 PolarHBondContact OG-N 3.28Å; S336-E339 PolarHBondContact O-N 3.31Å; S336-E339 PolarHBondContact OG-N 3.22Å; S336-Y438 PolarHBondContact N-OH 3.08Å; S336-Y438 PolarHBondContact O-OH 3.17Å | ||
| 337 | F | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.6 | -29.7 | 174.9 | -171.7 | -137.5 | 0 | 0 | 0 | 112.4 | E339 I340 L341 F350 Y430 M433 K434 Y438 | F337-E339 VanDerWaalsContact C-N 3.34Å; F337-E339 PolarHBondContact O-N 2.97Å; F337-I340 HydrophobicContact CD2-CG2 3.76Å; F337-I340 HydrophobicContact CE2-CG2 4.27Å; F337-I340 WeakPolarHBondContact O-CG2 3.14Å; F337-L341 HydrophobicContact CD1-CD1 3.81Å; F337-L341 HydrophobicContact CD2-CD1 4.34Å; F337-L341 HydrophobicContact CD2-CG 4.21Å; F337-L341 HydrophobicContact CE1-CD1 3.54Å; F337-L341 HydrophobicContact CE1-CG 4.31Å; F337-L341 HydrophobicContact CE2-CD1 4.08Å; F337-L341 HydrophobicContact CE2-CD2 4.11Å; F337-L341 HydrophobicContact CE2-CG 3.93Å; F337-L341 HydrophobicContact CG-CD1 4.22Å; F337-L341 HydrophobicContact CG-CG 4.5Å; F337-L341 HydrophobicContact CZ-CD1 3.68Å; F337-L341 HydrophobicContact CZ-CD2 4.07Å; F337-L341 HydrophobicContact CZ-CG 3.99Å; F337-L341 WeakPolarHBondContact O-CB 3.36Å; F337-L341 VanDerWaalsContact O-CG 3.28Å; F337-L341 WeakPolarHBondContact O-CG 3.45Å; F337-L341 PolarHBondContact O-N 3.01Å; F337-L341 VanDerWaalsContact O-N 3.12Å; F337-F350 HydrophobicContact CE2-CD1 4.2Å; F337-F350 AromaticContact CE2-CE1 3.51Å; F337-F350 HydrophobicContact CE2-CE1 3.51Å; F337-F350 AromaticContact CE2-CZ 3.87Å; F337-F350 HydrophobicContact CE2-CZ 3.87Å; F337-F350 AromaticContact CZ-CE1 3.92Å; F337-F350 HydrophobicContact CZ-CE1 3.92Å; F337-F350 HydrophobicContact CZ-CZ 4.39Å; F337-Y430 AromaticContact CD1-CD2 3.86Å; F337-Y430 HydrophobicContact CD1-CD2 3.86Å; F337-Y430 HydrophobicContact CD1-CE1 4.32Å; F337-Y430 AromaticContact CD1-CE2 3.49Å; F337-Y430 HydrophobicContact CD1-CE2 3.49Å; F337-Y430 VanDerWaalsContact CD1-CE2 3.49Å; F337-Y430 HydrophobicContact CD1-CG 4.44Å; F337-Y430 AromaticContact CD1-CZ 3.73Å; F337-Y430 AromaticContact CE1-CD2 3.73Å; F337-Y430 HydrophobicContact CE1-CD2 3.73Å; F337-Y430 AromaticContact CE1-CE2 3.85Å; F337-Y430 HydrophobicContact CE1-CE2 3.85Å; F337-Y430 HydrophobicContact CE1-CG 4.28Å; F337-M433 HydrophobicContact CE1-CB 3.86Å; F337-M433 HydrophobicContact CE1-CE 4.31Å; F337-M433 HydrophobicContact CE2-CB 4.42Å; F337-M433 HydrophobicContact CZ-CB 3.51Å; F337-M433 HydrophobicContact CZ-CE 4Å; F337-M433 HydrophobicContact CZ-SD 4.33Å; F337-K434 HydrophobicContact CB-CB 4.32Å; F337-K434 HydrophobicContact CB-CD 4.21Å; F337-K434 HydrophobicContact CB-CG 3.92Å; F337-K434 HydrophobicContact CD1-CB 3.61Å; F337-K434 HydrophobicContact CD1-CD 4.38Å; F337-K434 HydrophobicContact CD1-CG 4.12Å; F337-K434 HydrophobicContact CE1-CB 4.17Å; F337-K434 HydrophobicContact CG-CB 4.14Å; F337-K434 HydrophobicContact CG-CG 4.3Å; F337-Y438 HydrophobicContact CB-CD1 3.94Å; F337-Y438 HydrophobicContact CB-CE1 4.12Å; F337-Y438 HydrophobicContact CB-CG 4.15Å; F337-Y438 HydrophobicContact CD2-CD1 4.19Å; F337-Y438 AromaticContact CD2-CD2 3.58Å; F337-Y438 HydrophobicContact CD2-CD2 3.58Å; F337-Y438 HydrophobicContact CD2-CE2 4.28Å; F337-Y438 AromaticContact CD2-CG 3.52Å; F337-Y438 HydrophobicContact CD2-CG 3.52Å; F337-Y438 HydrophobicContact CE2-CD2 4.3Å; F337-Y438 HydrophobicContact CE2-CG 4.27Å; F337-Y438 HydrophobicContact CG-CD1 4.38Å; F337-Y438 HydrophobicContact CG-CD2 4.48Å; F337-Y438 HydrophobicContact CG-CG 4.14Å |
| 338 | D | 97.7 | Very high | 96.8 | Very high | 57 Ų | 57 | 41.3 Ų | 41.3 | 31% | 0.305 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68.2 | -32.6 | 176.3 | -58.5 | -68.2 | 0 | 0 | 0 | 112.5 | S336 L341 K342 Y430 | S336-D338 PolarHBondContact O-N 3.16Å; S336-D338 PolarHBondContact OG-N 3.28Å; D338-L341 PolarHBondContact O-N 3.17Å; D338-K342 WeakPolarHBondContact O-CB 3.34Å; D338-K342 WeakPolarHBondContact O-CD 3.27Å; D338-K342 WeakPolarHBondContact O-CG 3.32Å; D338-K342 PolarHBondContact O-N 2.91Å; D338-Y430 PolarHBondContact OD1-OH 2.73Å; D338-Y430 PolarHBondContact OD2-OH 3.18Å |
| 339 | E | 97.9 | Very high | 97.1 | Very high | 10 Ų | 10 | 39.2 Ų | 39.2 | 5% | 0.047 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.6 | -45.1 | 179.1 | -70.7 | -53.5 | 113.8 | 0 | 0 | 111.7 | Y293 R332 F335 S336 F337 L341 K342 D343 | Y293-E339 HydrophobicContact CE1-CG 4.42Å; Y293-E339 VanDerWaalsContact OH-CD 3.32Å; Y293-E339 WeakPolarHBondContact OH-CG 3.37Å; R332-E339 HydrophobicContact CG-CG 4.33Å; R332-E339 IonicContact CZ-OE2 3.92Å; R332-E339 IonicContact NE-OE2 3.98Å; R332-E339 PolarHBondContact NE-OE2 3.15Å; R332-E339 IonicContact NH2-OE2 3.94Å; R332-E339 PolarHBondContact NH2-OE2 2.87Å; R332-E339 WeakPolarHBondContact O-CB 3.48Å; F335-E339 HydrophobicContact CB-CG 4.31Å; S336-E339 PolarHBondContact O-N 3.31Å; S336-E339 PolarHBondContact OG-N 3.22Å; F337-E339 VanDerWaalsContact C-N 3.34Å; F337-E339 PolarHBondContact O-N 2.97Å; E339-L341 VanDerWaalsContact C-N 3.34Å; E339-L341 PolarHBondContact O-N 3.35Å; E339-K342 PolarHBondContact O-N 2.92Å; E339-K342 IonicContact OE1-NZ 3.26Å; E339-K342 PolarHBondContact OE1-NZ 2.91Å; E339-D343 PolarHBondContact O-N 3.24Å |
| 340 | I | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67 | -36.1 | 175.5 | -168.5 | 168.5 | 0 | 0 | 0 | 112 | W333 F337 D343 R347 F350 Y438 F441 | W333-I340 HydrophobicContact CB-CB 4.02Å; W333-I340 HydrophobicContact CB-CD1 4.46Å; W333-I340 HydrophobicContact CB-CG1 4.26Å; W333-I340 HydrophobicContact CG-CB 4.41Å; W333-I340 HydrophobicContact CG-CG1 4.37Å; F337-I340 HydrophobicContact CD2-CG2 3.76Å; F337-I340 HydrophobicContact CE2-CG2 4.27Å; F337-I340 WeakPolarHBondContact O-CG2 3.14Å; I340-D343 PolarHBondContact O-N 3.46Å; I340-R347 PolarHBondContact O-N 3.48Å; I340-F350 HydrophobicContact CD1-CB 3.77Å; I340-F350 HydrophobicContact CD1-CD2 4.49Å; I340-F350 HydrophobicContact CD1-CG 4.2Å; I340-F350 HydrophobicContact CG1-CB 4.35Å; I340-Y438 HydrophobicContact CB-CE2 4.4Å; I340-Y438 HydrophobicContact CG2-CD2 3.87Å; I340-Y438 HydrophobicContact CG2-CE2 3.65Å; I340-F441 HydrophobicContact CD1-CD1 3.69Å; I340-F441 HydrophobicContact CD1-CE1 3.21Å; I340-F441 HydrophobicContact CD1-CZ 3.85Å |
| 341 | L | 97.6 | Very high | 97.3 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.8 | -25.1 | 178.2 | -72.5 | -179.3 | 0 | 0 | 0 | 113.3 | F337 D338 E339 R347 L363 W366 Y430 | F337-L341 HydrophobicContact CD1-CD1 3.81Å; F337-L341 HydrophobicContact CD2-CD1 4.34Å; F337-L341 HydrophobicContact CD2-CG 4.21Å; F337-L341 HydrophobicContact CE1-CD1 3.54Å; F337-L341 HydrophobicContact CE1-CG 4.31Å; F337-L341 HydrophobicContact CE2-CD1 4.08Å; F337-L341 HydrophobicContact CE2-CD2 4.11Å; F337-L341 HydrophobicContact CE2-CG 3.93Å; F337-L341 HydrophobicContact CG-CD1 4.22Å; F337-L341 HydrophobicContact CG-CG 4.5Å; F337-L341 HydrophobicContact CZ-CD1 3.68Å; F337-L341 HydrophobicContact CZ-CD2 4.07Å; F337-L341 HydrophobicContact CZ-CG 3.99Å; F337-L341 WeakPolarHBondContact O-CB 3.36Å; F337-L341 VanDerWaalsContact O-CG 3.28Å; F337-L341 WeakPolarHBondContact O-CG 3.45Å; F337-L341 PolarHBondContact O-N 3.01Å; F337-L341 VanDerWaalsContact O-N 3.12Å; D338-L341 PolarHBondContact O-N 3.17Å; E339-L341 VanDerWaalsContact C-N 3.34Å; E339-L341 PolarHBondContact O-N 3.35Å; L341-R347 VanDerWaalsContact O-CD 3.26Å; L341-R347 WeakPolarHBondContact O-CD 2.96Å; L341-R347 WeakPolarHBondContact O-CG 3.17Å; L341-R347 PolarHBondContact O-NH1 2.92Å; L341-L363 HydrophobicContact CD2-CD1 3.59Å; L341-W366 HydrophobicContact CB-CH2 4.24Å; L341-W366 HydrophobicContact CB-CZ3 4.39Å; L341-W366 HydrophobicContact CD1-CE3 4.44Å; L341-W366 HydrophobicContact CD1-CH2 3.82Å; L341-W366 HydrophobicContact CD1-CZ2 3.9Å; L341-W366 HydrophobicContact CD1-CZ3 4.09Å; L341-W366 HydrophobicContact CD2-CE3 4.39Å; L341-W366 HydrophobicContact CD2-CZ3 4.18Å; L341-W366 HydrophobicContact CG-CH2 4.49Å; L341-W366 HydrophobicContact CG-CZ3 4.47Å; L341-Y430 HydrophobicContact CD1-CD2 4Å; L341-Y430 HydrophobicContact CD1-CE2 3.79Å |
| 342 | K | 96.6 | Very high | 97.4 | Very high | 132 Ų | 132 | 41.5 Ų | 41.5 | 57% | 0.574 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -76 | -36.6 | 173.9 | -74.1 | 166.5 | -162.1 | 166.3 | 0 | 111.9 | D338 E339 R347 | D338-K342 WeakPolarHBondContact O-CB 3.34Å; D338-K342 WeakPolarHBondContact O-CD 3.27Å; D338-K342 WeakPolarHBondContact O-CG 3.32Å; D338-K342 PolarHBondContact O-N 2.91Å; E339-K342 PolarHBondContact O-N 2.92Å; E339-K342 IonicContact OE1-NZ 3.26Å; E339-K342 PolarHBondContact OE1-NZ 2.91Å; K342-R347 VanDerWaalsContact C-NH1 3.26Å; K342-R347 PolarHBondContact O-NH1 3.48Å |
| 343 | D | 97.2 | Very high | 97.4 | Very high | 25 Ų | 25 | 37.8 Ų | 37.8 | 13% | 0.134 | 18% | 0.183 | C | C | . | . | trans | -76.9 | 125.1 | -178.3 | -167 | -52.9 | 0 | 0 | 0 | 112.1 | R329 W333 E339 I340 V345 G346 R347 | R329-D343 WeakPolarHBondContact CG-OD2 3.27Å; R329-D343 IonicContact CZ-OD1 2.82Å; R329-D343 IonicContact CZ-OD2 3.83Å; R329-D343 IonicContact NE-OD1 3.08Å; R329-D343 IonicContact NE-OD2 3.41Å; R329-D343 PolarHBondContact NE-OD2 3.3Å; R329-D343 VanDerWaalsContact NH2-CG 3.35Å; R329-D343 IonicContact NH2-OD1 3.29Å; R329-D343 PolarHBondContact NH2-OD1 2.9Å; R329-D343 IonicContact NH2-OD2 3.91Å; R329-D343 PolarHBondContact NH2-OD2 3.05Å; W333-D343 PolarHBondContact NE1-OD2 2.98Å; E339-D343 PolarHBondContact O-N 3.24Å; I340-D343 PolarHBondContact O-N 3.46Å; D343-V345 PolarHBondContact O-N 3.02Å; D343-V345 WeakPolarHBondContact OD1-CA 3.41Å; D343-V345 PolarHBondContact OD1-N 2.83Å; D343-G346 PolarHBondContact O-N 3.14Å; D343-G346 PolarHBondContact OD1-N 3.16Å; D343-R347 WeakPolarHBondContact O-CG 3.43Å; D343-R347 PolarHBondContact O-N 3.11Å | ||
| 344 | Q | 95.9 | Very high | 97.4 | Very high | 99 Ų | 99 | 37.7 Ų | 37.7 | 46% | 0.463 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 178.6 | -178.8 | 63 | 56.7 | 0 | 0 | 112.8 | G346 R347 D348 | Q344-G346 VanDerWaalsContact C-N 3.33Å; Q344-R347 PolarHBondContact O-N 3.45Å; Q344-D348 PolarHBondContact NE2-OD1 2.77Å; Q344-D348 PolarHBondContact O-N 2.75Å |
| 345 | V | 96.7 | Very high | 97.4 | Very high | 15 Ų | 15 | 41.1 Ų | 41.1 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.4 | -37.3 | 180 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | P325 W333 D343 D348 Q349 | P325-V345 HydrophobicContact CG-CG1 4.09Å; W333-V345 HydrophobicContact CH2-CB 4.37Å; W333-V345 HydrophobicContact CH2-CG1 3.95Å; W333-V345 HydrophobicContact CZ2-CB 4.13Å; W333-V345 HydrophobicContact CZ2-CG1 4.19Å; D343-V345 PolarHBondContact O-N 3.02Å; D343-V345 WeakPolarHBondContact OD1-CA 3.41Å; D343-V345 PolarHBondContact OD1-N 2.83Å; V345-D348 PolarHBondContact O-N 3.37Å; V345-Q349 HydrophobicContact CG1-CG 4.45Å; V345-Q349 WeakPolarHBondContact O-CG 3.48Å; V345-Q349 PolarHBondContact O-N 3.46Å |
| 346 | G | 97.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.8 | -48.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D343 Q344 D348 Q349 F350 | D343-G346 PolarHBondContact O-N 3.14Å; D343-G346 PolarHBondContact OD1-N 3.16Å; Q344-G346 VanDerWaalsContact C-N 3.33Å; G346-D348 PolarHBondContact O-N 3.27Å; G346-Q349 PolarHBondContact O-N 2.88Å; G346-F350 WeakPolarHBondContact O-CB 3.48Å; G346-F350 PolarHBondContact O-N 2.85Å |
| 347 | R | 97.9 | Very high | 97.2 | Very high | 49 Ų | 49 | 44.9 Ų | 44.9 | 19% | 0.185 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57 | -45.8 | 173.5 | -74.7 | -168.4 | -63.9 | -91.9 | 3.8 | 112.4 | I340 L341 K342 D343 Q344 Q349 F350 L351 | I340-R347 PolarHBondContact O-N 3.48Å; L341-R347 VanDerWaalsContact O-CD 3.26Å; L341-R347 WeakPolarHBondContact O-CD 2.96Å; L341-R347 WeakPolarHBondContact O-CG 3.17Å; L341-R347 PolarHBondContact O-NH1 2.92Å; K342-R347 VanDerWaalsContact C-NH1 3.26Å; K342-R347 PolarHBondContact O-NH1 3.48Å; D343-R347 WeakPolarHBondContact O-CG 3.43Å; D343-R347 PolarHBondContact O-N 3.11Å; Q344-R347 PolarHBondContact O-N 3.45Å; R347-Q349 PolarHBondContact O-N 3.31Å; R347-F350 PolarHBondContact O-N 2.87Å; R347-L351 VanDerWaalsContact O-CB 3.31Å; R347-L351 WeakPolarHBondContact O-CB 2.96Å; R347-L351 PolarHBondContact O-N 3.45Å |
| 348 | D | 97.3 | Very high | 96.9 | Very high | 60 Ų | 60 | 53.6 Ų | 53.6 | 32% | 0.321 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | -178.6 | -64.7 | -13.5 | 0 | 0 | 0 | 111.5 | Q344 V345 G346 L351 R352 | Q344-D348 PolarHBondContact NE2-OD1 2.77Å; Q344-D348 PolarHBondContact O-N 2.75Å; V345-D348 PolarHBondContact O-N 3.37Å; G346-D348 PolarHBondContact O-N 3.27Å; D348-L351 PolarHBondContact O-N 3.08Å; D348-R352 WeakPolarHBondContact O-CG 3.43Å; D348-R352 PolarHBondContact O-N 2.84Å; D348-R352 VanDerWaalsContact O-N 3.08Å |
| 349 | Q | 97.3 | Very high | 96.8 | Very high | 44 Ų | 44 | 51.6 Ų | 51.6 | 21% | 0.206 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69 | -40.2 | 176.9 | -64.1 | -62.8 | -2.4 | 0 | 0 | 112 | W333 V345 G346 R347 R352 F353 F441 L450 | W333-Q349 HydrophobicContact CH2-CG 4.38Å; W333-Q349 HydrophobicContact CZ3-CG 4.36Å; V345-Q349 HydrophobicContact CG1-CG 4.45Å; V345-Q349 WeakPolarHBondContact O-CG 3.48Å; V345-Q349 PolarHBondContact O-N 3.46Å; G346-Q349 PolarHBondContact O-N 2.88Å; R347-Q349 PolarHBondContact O-N 3.31Å; Q349-R352 VanDerWaalsContact NE2-NH1 3.12Å; Q349-R352 PolarHBondContact O-N 3.31Å; Q349-F353 PolarHBondContact O-N 3.39Å; Q349-F353 VanDerWaalsContact O-N 3.09Å; Q349-F441 HydrophobicContact CB-CE2 4.49Å; Q349-F441 HydrophobicContact CB-CZ 4.37Å; Q349-L450 HydrophobicContact CB-CD1 4.38Å; Q349-L450 HydrophobicContact CG-CD1 3.85Å |
| 350 | F | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.6 | -41.8 | 175.3 | -173 | -129.9 | 0 | 0 | 0 | 111.6 | F337 I340 G346 R347 F353 L354 L363 M433 F441 | F337-F350 HydrophobicContact CE2-CD1 4.2Å; F337-F350 AromaticContact CE2-CE1 3.51Å; F337-F350 HydrophobicContact CE2-CE1 3.51Å; F337-F350 AromaticContact CE2-CZ 3.87Å; F337-F350 HydrophobicContact CE2-CZ 3.87Å; F337-F350 AromaticContact CZ-CE1 3.92Å; F337-F350 HydrophobicContact CZ-CE1 3.92Å; F337-F350 HydrophobicContact CZ-CZ 4.39Å; I340-F350 HydrophobicContact CD1-CB 3.77Å; I340-F350 HydrophobicContact CD1-CD2 4.49Å; I340-F350 HydrophobicContact CD1-CG 4.2Å; I340-F350 HydrophobicContact CG1-CB 4.35Å; G346-F350 WeakPolarHBondContact O-CB 3.48Å; G346-F350 PolarHBondContact O-N 2.85Å; R347-F350 PolarHBondContact O-N 2.87Å; F350-F353 HydrophobicContact CD2-CD1 4.31Å; F350-F353 HydrophobicContact CE2-CD1 4.28Å; F350-F353 WeakPolarHBondContact O-CB 3.42Å; F350-F353 PolarHBondContact O-N 3.02Å; F350-L354 HydrophobicContact CD1-CD1 4.13Å; F350-L354 HydrophobicContact CE1-CD1 3.78Å; F350-L354 HydrophobicContact CE1-CG 4.41Å; F350-L354 HydrophobicContact CE2-CD1 4.47Å; F350-L354 HydrophobicContact CE2-CD2 4.11Å; F350-L354 HydrophobicContact CE2-CG 4.24Å; F350-L354 HydrophobicContact CZ-CD1 3.98Å; F350-L354 HydrophobicContact CZ-CD2 4.03Å; F350-L354 HydrophobicContact CZ-CG 4.19Å; F350-L354 WeakPolarHBondContact O-CG 3.4Å; F350-L354 PolarHBondContact O-N 2.72Å; F350-L363 HydrophobicContact CD1-CD1 4.34Å; F350-L363 HydrophobicContact CD1-CD2 3.69Å; F350-L363 HydrophobicContact CE1-CD1 4.49Å; F350-L363 HydrophobicContact CE1-CD2 4.29Å; F350-L363 HydrophobicContact CG-CD2 4.49Å; F350-M433 HydrophobicContact CE1-SD 4.34Å; F350-F441 HydrophobicContact CD2-CB 3.74Å; F350-F441 HydrophobicContact CD2-CD1 4.14Å; F350-F441 AromaticContact CD2-CD2 3.93Å; F350-F441 HydrophobicContact CD2-CD2 3.93Å; F350-F441 AromaticContact CD2-CG 3.65Å; F350-F441 HydrophobicContact CD2-CG 3.65Å; F350-F441 HydrophobicContact CE2-CB 3.75Å; F350-F441 HydrophobicContact CE2-CG 4.19Å |
| 351 | L | 98.1 | Very high | 96.7 | Very high | 39 Ų | 39 | 53.4 Ų | 53.4 | 20% | 0.204 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 176 | -177.7 | 63.8 | 0 | 0 | 0 | 111.7 | R347 D348 F353 L354 E355 L363 R364 | R347-L351 VanDerWaalsContact O-CB 3.31Å; R347-L351 WeakPolarHBondContact O-CB 2.96Å; R347-L351 PolarHBondContact O-N 3.45Å; D348-L351 PolarHBondContact O-N 3.08Å; L351-F353 VanDerWaalsContact C-N 3.27Å; L351-F353 PolarHBondContact O-N 2.67Å; L351-L354 PolarHBondContact O-N 3.35Å; L351-L354 VanDerWaalsContact O-N 3.12Å; L351-E355 WeakPolarHBondContact O-CG 3.4Å; L351-E355 PolarHBondContact O-N 3.3Å; L351-L363 HydrophobicContact CB-CD2 3.82Å; L351-L363 HydrophobicContact CD1-CB 4.49Å; L351-L363 HydrophobicContact CD1-CD2 4.01Å; L351-R364 HydrophobicContact CD1-CG 4.15Å |
| 352 | R | 97.3 | Very high | 96.7 | Very high | 139 Ų | 139 | 53.7 Ų | 53.7 | 53% | 0.525 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59 | -39.4 | 176.6 | -73.2 | 176 | -169.2 | 145.7 | 4.1 | 112.5 | D348 Q349 E355 S356 | D348-R352 WeakPolarHBondContact O-CG 3.43Å; D348-R352 PolarHBondContact O-N 2.84Å; D348-R352 VanDerWaalsContact O-N 3.08Å; Q349-R352 VanDerWaalsContact NE2-NH1 3.12Å; Q349-R352 PolarHBondContact O-N 3.31Å; R352-E355 PolarHBondContact O-N 2.94Å; R352-S356 PolarHBondContact O-N 3.19Å; R352-S356 VanDerWaalsContact O-N 3.08Å |
| 353 | F | 97.8 | Very high | 96.7 | Very high | 17 Ų | 17 | 47.4 Ų | 47.4 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 174.2 | 168.9 | -99.7 | 0 | 0 | 0 | 111.2 | Q349 F350 L351 E355 S356 E357 R440 F441 | Q349-F353 PolarHBondContact O-N 3.39Å; Q349-F353 VanDerWaalsContact O-N 3.09Å; F350-F353 HydrophobicContact CD2-CD1 4.31Å; F350-F353 HydrophobicContact CE2-CD1 4.28Å; F350-F353 WeakPolarHBondContact O-CB 3.42Å; F350-F353 PolarHBondContact O-N 3.02Å; L351-F353 VanDerWaalsContact C-N 3.27Å; L351-F353 PolarHBondContact O-N 2.67Å; F353-E355 VanDerWaalsContact C-N 3.32Å; F353-E355 PolarHBondContact O-N 3.43Å; F353-S356 WeakPolarHBondContact O-CB 3.4Å; F353-S356 PolarHBondContact O-N 3.24Å; F353-S356 VanDerWaalsContact O-N 3.14Å; F353-S356 PolarHBondContact O-OG 3.37Å; F353-E357 HydrophobicContact CE2-CG 4.38Å; F353-E357 HydrophobicContact CZ-CG 4.27Å; F353-E357 VanDerWaalsContact CZ-OE1 3.23Å; F353-E357 WeakPolarHBondContact CZ-OE1 3.45Å; F353-E357 WeakPolarHBondContact CZ-OE2 3.31Å; F353-E357 PolarHBondContact O-N 3.4Å; F353-R440 HydrophobicContact CE1-CB 4.45Å; F353-R440 HydrophobicContact CZ-CB 4.04Å; F353-F441 HydrophobicContact CB-CD2 3.69Å; F353-F441 HydrophobicContact CB-CE2 4.16Å; F353-F441 HydrophobicContact CD1-CB 3.78Å; F353-F441 AromaticContact CD1-CD2 3.91Å; F353-F441 HydrophobicContact CD1-CD2 3.91Å; F353-F441 HydrophobicContact CD1-CG 4.32Å; F353-F441 HydrophobicContact CD2-CD2 4.3Å; F353-F441 HydrophobicContact CE1-CB 3.83Å; F353-F441 HydrophobicContact CG-CB 4.33Å; F353-F441 AromaticContact CG-CD2 3.69Å; F353-F441 HydrophobicContact CG-CD2 3.69Å; F353-F441 HydrophobicContact CZ-CB 4.42Å |
| 354 | L | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.3 | -36.4 | 177.4 | -63.8 | 175.1 | 0 | 0 | 0 | 112.8 | F350 L351 S356 E357 F358 S359 L363 | F350-L354 HydrophobicContact CD1-CD1 4.13Å; F350-L354 HydrophobicContact CE1-CD1 3.78Å; F350-L354 HydrophobicContact CE1-CG 4.41Å; F350-L354 HydrophobicContact CE2-CD1 4.47Å; F350-L354 HydrophobicContact CE2-CD2 4.11Å; F350-L354 HydrophobicContact CE2-CG 4.24Å; F350-L354 HydrophobicContact CZ-CD1 3.98Å; F350-L354 HydrophobicContact CZ-CD2 4.03Å; F350-L354 HydrophobicContact CZ-CG 4.19Å; F350-L354 WeakPolarHBondContact O-CG 3.4Å; F350-L354 PolarHBondContact O-N 2.72Å; L351-L354 PolarHBondContact O-N 3.35Å; L351-L354 VanDerWaalsContact O-N 3.12Å; L354-S356 VanDerWaalsContact C-N 3.31Å; L354-S356 PolarHBondContact O-N 3.24Å; L354-E357 CarbonylContact O-C 3.51Å; L354-E357 PolarHBondContact O-N 3.15Å; L354-E357 VanDerWaalsContact O-N 3.17Å; L354-F358 PolarHBondContact O-N 2.81Å; L354-S359 PolarHBondContact O-N 3.03Å; L354-S359 PolarHBondContact O-OG 3.26Å; L354-L363 HydrophobicContact CD1-CB 3.53Å; L354-L363 HydrophobicContact CD1-CD2 3.93Å; L354-L363 HydrophobicContact CD1-CG 4.37Å |
| 355 | E | 96.9 | Very high | 96.9 | Very high | 96 Ų | 96 | 45.4 Ų | 45.4 | 45% | 0.449 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.2 | -39.7 | 174.2 | -73.4 | 172.7 | 166.1 | 0 | 0 | 111.5 | L351 R352 F353 E357 F358 | L351-E355 WeakPolarHBondContact O-CG 3.4Å; L351-E355 PolarHBondContact O-N 3.3Å; R352-E355 PolarHBondContact O-N 2.94Å; F353-E355 VanDerWaalsContact C-N 3.32Å; F353-E355 PolarHBondContact O-N 3.43Å; E355-E357 PolarHBondContact O-N 3.41Å; E355-F358 PolarHBondContact O-N 2.95Å; E355-F358 VanDerWaalsContact O-N 3.13Å |
| 356 | S | 95.5 | Very high | 97 | Very high | 83 Ų | 83 | 46 Ų | 46 | 58% | 0.58 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -65.6 | -22.8 | 175.9 | 78.3 | 0 | 0 | 0 | 0 | 113.5 | R352 F353 L354 | R352-S356 PolarHBondContact O-N 3.19Å; R352-S356 VanDerWaalsContact O-N 3.08Å; F353-S356 WeakPolarHBondContact O-CB 3.4Å; F353-S356 PolarHBondContact O-N 3.24Å; F353-S356 VanDerWaalsContact O-N 3.14Å; F353-S356 PolarHBondContact O-OG 3.37Å; L354-S356 VanDerWaalsContact C-N 3.31Å; L354-S356 PolarHBondContact O-N 3.24Å |
| 357 | E | 94.8 | Very high | 97 | Very high | 68 Ų | 68 | 48.7 Ų | 48.7 | 32% | 0.318 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 10.4 | 176.1 | -62.2 | -168.9 | 150.3 | 0 | 0 | 113.1 | F353 L354 E355 S359 R440 | F353-E357 HydrophobicContact CE2-CG 4.38Å; F353-E357 HydrophobicContact CZ-CG 4.27Å; F353-E357 VanDerWaalsContact CZ-OE1 3.23Å; F353-E357 WeakPolarHBondContact CZ-OE1 3.45Å; F353-E357 WeakPolarHBondContact CZ-OE2 3.31Å; F353-E357 PolarHBondContact O-N 3.4Å; L354-E357 CarbonylContact O-C 3.51Å; L354-E357 PolarHBondContact O-N 3.15Å; L354-E357 VanDerWaalsContact O-N 3.17Å; E355-E357 PolarHBondContact O-N 3.41Å; E357-S359 VanDerWaalsContact C-N 3.28Å; E357-S359 PolarHBondContact O-N 3.01Å; E357-R440 IonicContact OE1-NH1 3.21Å; E357-R440 PolarHBondContact OE1-NH1 3.26Å; E357-R440 VanDerWaalsContact OE1-NH1 3.09Å; E357-R440 IonicContact OE2-CZ 2.92Å; E357-R440 IonicContact OE2-NH1 2.87Å; E357-R440 PolarHBondContact OE2-NH1 3.19Å; E357-R440 IonicContact OE2-NH2 2.67Å |
| 358 | F | 91.9 | Very high | 97 | Very high | 185 Ų | 185 | 47.1 Ų | 47.1 | 81% | 0.811 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 41 | -178.8 | -54.3 | -86.8 | 0 | 0 | 0 | 114 | L354 E355 | L354-F358 PolarHBondContact O-N 2.81Å; E355-F358 PolarHBondContact O-N 2.95Å; E355-F358 VanDerWaalsContact O-N 3.13Å |
| 359 | S | 95.3 | Very high | 97.1 | Very high | 15 Ų | 15 | 44.3 Ų | 44.3 | 11% | 0.105 | 21% | 0.21 | C | C | . | . | trans | -133.3 | 22.4 | -178.3 | 59.8 | 0 | 0 | 0 | 0 | 113.9 | L354 E357 E361 | L354-S359 PolarHBondContact O-N 3.03Å; L354-S359 PolarHBondContact O-OG 3.26Å; E357-S359 VanDerWaalsContact C-N 3.28Å; E357-S359 PolarHBondContact O-N 3.01Å; S359-E361 VanDerWaalsContact C-N 3.3Å; S359-E361 VanDerWaalsContact CA-OE2 3.25Å; S359-E361 WeakPolarHBondContact CA-OE2 3.23Å; S359-E361 PolarHBondContact O-N 3.17Å | ||
| 360 | S | 96.8 | Very high | 97 | Very high | 9 Ų | 9 | 44.7 Ų | 44.7 | 6% | 0.063 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -17.1 | -174.8 | 68.6 | 0 | 0 | 0 | 0 | 114.2 | N362 L363 R364 | S360-N362 PolarHBondContact O-N 3.01Å; S360-L363 PolarHBondContact O-N 3.32Å; S360-R364 WeakPolarHBondContact O-CG 3.47Å; S360-R364 PolarHBondContact O-N 3.3Å; S360-R364 PolarHBondContact O-NE 3Å; S360-R364 PolarHBondContact OG-NE 3.28Å; S360-R364 PolarHBondContact OG-NH2 3.31Å |
| 361 | E | 97.5 | Very high | 97 | Very high | 39 Ų | 39 | 47.6 Ų | 47.6 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.8 | -35.1 | 176.7 | 66.2 | -73.4 | 168.4 | 0 | 0 | 112.4 | S359 R364 F365 I400 | S359-E361 VanDerWaalsContact C-N 3.3Å; S359-E361 VanDerWaalsContact CA-OE2 3.25Å; S359-E361 WeakPolarHBondContact CA-OE2 3.23Å; S359-E361 PolarHBondContact O-N 3.17Å; E361-R364 PolarHBondContact O-N 3.03Å; E361-F365 VanDerWaalsContact O-CB 3.32Å; E361-F365 WeakPolarHBondContact O-CB 3.32Å; E361-F365 PolarHBondContact O-N 2.55Å; E361-I400 HydrophobicContact CB-CG2 4.05Å; E361-I400 HydrophobicContact CG-CG2 3.83Å |
| 362 | N | 97 | Very high | 97 | Very high | 14 Ų | 14 | 45.7 Ų | 45.7 | 8% | 0.075 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.6 | -46.9 | 179.6 | -67.2 | -39.6 | 0 | 0 | 0 | 112.2 | S360 W366 I429 M433 | S360-N362 PolarHBondContact O-N 3.01Å; N362-W366 WeakPolarHBondContact O-CB 3.37Å; N362-W366 PolarHBondContact O-N 2.97Å; N362-I429 HydrophobicContact CB-CG2 3.88Å; N362-I429 VanDerWaalsContact O-CG2 3.32Å; N362-I429 WeakPolarHBondContact O-CG2 3.44Å; N362-M433 HydrophobicContact CB-CG 3.95Å; N362-M433 HydrophobicContact CB-SD 3.77Å |
| 363 | L | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71 | -39.9 | 178.2 | -179 | 61.3 | 0 | 0 | 0 | 111.1 | L341 F350 L351 L354 S360 W366 L367 M433 | L341-L363 HydrophobicContact CD2-CD1 3.59Å; F350-L363 HydrophobicContact CD1-CD1 4.34Å; F350-L363 HydrophobicContact CD1-CD2 3.69Å; F350-L363 HydrophobicContact CE1-CD1 4.49Å; F350-L363 HydrophobicContact CE1-CD2 4.29Å; F350-L363 HydrophobicContact CG-CD2 4.49Å; L351-L363 HydrophobicContact CB-CD2 3.82Å; L351-L363 HydrophobicContact CD1-CB 4.49Å; L351-L363 HydrophobicContact CD1-CD2 4.01Å; L354-L363 HydrophobicContact CD1-CB 3.53Å; L354-L363 HydrophobicContact CD1-CD2 3.93Å; L354-L363 HydrophobicContact CD1-CG 4.37Å; S360-L363 PolarHBondContact O-N 3.32Å; L363-W366 PolarHBondContact O-N 3.21Å; L363-L367 HydrophobicContact CD1-CD1 4.19Å; L363-L367 HydrophobicContact CD1-CG 4.13Å; L363-L367 HydrophobicContact CG-CD1 3.94Å; L363-L367 HydrophobicContact CG-CG 4.33Å; L363-L367 WeakPolarHBondContact O-CB 3.41Å; L363-L367 VanDerWaalsContact O-CG 3.26Å; L363-L367 WeakPolarHBondContact O-CG 3.37Å; L363-L367 PolarHBondContact O-N 3.47Å; L363-M433 HydrophobicContact CB-SD 3.92Å; L363-M433 HydrophobicContact CD1-CE 4.46Å; L363-M433 HydrophobicContact CD1-SD 4.43Å |
| 364 | R | 98.2 | Very high | 97 | Very high | 82 Ų | 82 | 48.4 Ų | 48.4 | 31% | 0.309 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 176.2 | -75 | -174.8 | -79.5 | 146.4 | -4.2 | 111.6 | L351 S360 E361 L367 S368 F391 S398 | L351-R364 HydrophobicContact CD1-CG 4.15Å; S360-R364 WeakPolarHBondContact O-CG 3.47Å; S360-R364 PolarHBondContact O-N 3.3Å; S360-R364 PolarHBondContact O-NE 3Å; S360-R364 PolarHBondContact OG-NE 3.28Å; S360-R364 PolarHBondContact OG-NH2 3.31Å; E361-R364 PolarHBondContact O-N 3.03Å; R364-L367 PolarHBondContact O-N 3.39Å; R364-S368 WeakPolarHBondContact O-CB 3.43Å; R364-S368 PolarHBondContact O-N 2.86Å; R364-S368 PolarHBondContact O-OG 3.16Å; R364-F391 HydrophobicContact CB-CE1 3.92Å; R364-F391 HydrophobicContact CB-CZ 3.96Å; R364-S398 PolarHBondContact NH1-OG 3.46Å; R364-S398 VanDerWaalsContact NH1-OG 3.1Å |
| 365 | F | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.9 | -51.6 | 172.9 | 171.1 | -104.3 | 0 | 0 | 0 | 111.2 | E361 L367 S368 V369 I387 F391 L392 I400 F422 A425 I429 | E361-F365 VanDerWaalsContact O-CB 3.32Å; E361-F365 WeakPolarHBondContact O-CB 3.32Å; E361-F365 PolarHBondContact O-N 2.55Å; F365-L367 VanDerWaalsContact C-N 3.3Å; F365-L367 PolarHBondContact O-N 3.31Å; F365-S368 PolarHBondContact O-N 3.13Å; F365-S368 VanDerWaalsContact O-N 3.14Å; F365-V369 HydrophobicContact CD2-CG2 4.21Å; F365-V369 HydrophobicContact CE1-CG2 4.13Å; F365-V369 HydrophobicContact CE2-CG2 3.75Å; F365-V369 HydrophobicContact CZ-CG2 3.72Å; F365-V369 WeakPolarHBondContact O-CG2 3.05Å; F365-V369 PolarHBondContact O-N 3.49Å; F365-I387 HydrophobicContact CD2-CG2 4.09Å; F365-I387 HydrophobicContact CE2-CG2 3.9Å; F365-F391 HydrophobicContact CB-CB 4.47Å; F365-F391 HydrophobicContact CB-CD1 3.71Å; F365-F391 HydrophobicContact CB-CD2 4.3Å; F365-F391 HydrophobicContact CB-CE1 3.97Å; F365-F391 HydrophobicContact CB-CG 3.9Å; F365-F391 HydrophobicContact CB-CZ 4.39Å; F365-F391 HydrophobicContact CD2-CB 3.69Å; F365-F391 HydrophobicContact CD2-CD1 4.41Å; F365-F391 AromaticContact CD2-CD2 3.84Å; F365-F391 HydrophobicContact CD2-CD2 3.84Å; F365-F391 AromaticContact CD2-CG 3.73Å; F365-F391 HydrophobicContact CD2-CG 3.73Å; F365-F391 HydrophobicContact CE2-CB 4.42Å; F365-F391 HydrophobicContact CG-CB 4.44Å; F365-F391 HydrophobicContact CG-CG 4.28Å; F365-L392 HydrophobicContact CE2-CD1 4.13Å; F365-L392 HydrophobicContact CZ-CD1 4.46Å; F365-I400 HydrophobicContact CB-CD1 4.28Å; F365-I400 HydrophobicContact CB-CG2 3.96Å; F365-I400 HydrophobicContact CD1-CD1 3.54Å; F365-I400 HydrophobicContact CD2-CD1 3.84Å; F365-I400 HydrophobicContact CE1-CD1 3.69Å; F365-I400 HydrophobicContact CE2-CD1 3.99Å; F365-I400 HydrophobicContact CG-CD1 3.6Å; F365-I400 HydrophobicContact CG-CG2 4.44Å; F365-I400 HydrophobicContact CZ-CD1 3.91Å; F365-F422 HydrophobicContact CE2-CD1 4.17Å; F365-F422 HydrophobicContact CE2-CG 4.5Å; F365-F422 HydrophobicContact CZ-CB 4.17Å; F365-F422 HydrophobicContact CZ-CD1 4.28Å; F365-F422 HydrophobicContact CZ-CG 4.47Å; F365-A425 HydrophobicContact CE1-CB 4.1Å; F365-A425 HydrophobicContact CZ-CB 3.74Å; F365-I429 HydrophobicContact CD1-CB 4.2Å; F365-I429 HydrophobicContact CD1-CG1 3.89Å; F365-I429 HydrophobicContact CD1-CG2 4.21Å; F365-I429 HydrophobicContact CE1-CB 4.42Å; F365-I429 HydrophobicContact CE1-CG1 3.99Å |
| 366 | W | 98.1 | Very high | 97 | Very high | 27 Ų | 27 | 49.4 Ų | 49.4 | 10% | 0.102 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.5 | -42.7 | -178.1 | -174.2 | 92.7 | 0 | 0 | 0 | 112.2 | L341 N362 L363 V369 Q370 Q426 Y430 M433 | L341-W366 HydrophobicContact CB-CH2 4.24Å; L341-W366 HydrophobicContact CB-CZ3 4.39Å; L341-W366 HydrophobicContact CD1-CE3 4.44Å; L341-W366 HydrophobicContact CD1-CH2 3.82Å; L341-W366 HydrophobicContact CD1-CZ2 3.9Å; L341-W366 HydrophobicContact CD1-CZ3 4.09Å; L341-W366 HydrophobicContact CD2-CE3 4.39Å; L341-W366 HydrophobicContact CD2-CZ3 4.18Å; L341-W366 HydrophobicContact CG-CH2 4.49Å; L341-W366 HydrophobicContact CG-CZ3 4.47Å; N362-W366 WeakPolarHBondContact O-CB 3.37Å; N362-W366 PolarHBondContact O-N 2.97Å; L363-W366 PolarHBondContact O-N 3.21Å; W366-V369 PolarHBondContact O-N 2.72Å; W366-Q370 HydrophobicContact CD2-CG 4.04Å; W366-Q370 HydrophobicContact CE3-CG 3.77Å; W366-Q370 HydrophobicContact CH2-CG 3.55Å; W366-Q370 HydrophobicContact CZ2-CG 3.81Å; W366-Q370 VanDerWaalsContact CZ2-NE2 3.26Å; W366-Q370 HydrophobicContact CZ3-CG 3.53Å; W366-Q370 WeakPolarHBondContact O-CG 3.33Å; W366-Q370 PolarHBondContact O-N 3.12Å; W366-Q426 HydrophobicContact CG-CG 4.24Å; W366-Q426 PolarHBondContact O-NE2 3.02Å; W366-Y430 HydrophobicContact CZ2-CD2 4.27Å; W366-Y430 AromaticContact NE1-CD2 3.63Å; W366-M433 HydrophobicContact CB-CE 3.87Å; W366-M433 HydrophobicContact CG-CE 4.1Å |
| 367 | L | 97.8 | Very high | 97 | Very high | 56 Ų | 56 | 51.8 Ų | 51.8 | 29% | 0.293 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.7 | -40.8 | 176.4 | -69.1 | 172.2 | 0 | 0 | 0 | 112.2 | L363 R364 F365 V369 Q370 D371 | L363-L367 HydrophobicContact CD1-CD1 4.19Å; L363-L367 HydrophobicContact CD1-CG 4.13Å; L363-L367 HydrophobicContact CG-CD1 3.94Å; L363-L367 HydrophobicContact CG-CG 4.33Å; L363-L367 WeakPolarHBondContact O-CB 3.41Å; L363-L367 VanDerWaalsContact O-CG 3.26Å; L363-L367 WeakPolarHBondContact O-CG 3.37Å; L363-L367 PolarHBondContact O-N 3.47Å; R364-L367 PolarHBondContact O-N 3.39Å; F365-L367 VanDerWaalsContact C-N 3.3Å; F365-L367 PolarHBondContact O-N 3.31Å; L367-V369 VanDerWaalsContact C-N 3.31Å; L367-V369 PolarHBondContact O-N 3.24Å; L367-Q370 WeakPolarHBondContact O-CB 3Å; L367-Q370 PolarHBondContact O-N 3.23Å; L367-D371 WeakPolarHBondContact O-CB 3.45Å; L367-D371 PolarHBondContact O-N 2.73Å |
| 368 | S | 98.1 | Very high | 97.1 | Very high | 17 Ų | 17 | 56.3 Ų | 56.3 | 12% | 0.119 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.1 | -38.9 | 174.8 | -73.5 | 0 | 0 | 0 | 0 | 112.2 | R364 F365 D371 L372 R383 I387 | R364-S368 WeakPolarHBondContact O-CB 3.43Å; R364-S368 PolarHBondContact O-N 2.86Å; R364-S368 PolarHBondContact O-OG 3.16Å; F365-S368 PolarHBondContact O-N 3.13Å; F365-S368 VanDerWaalsContact O-N 3.14Å; S368-D371 PolarHBondContact O-N 2.97Å; S368-L372 PolarHBondContact O-N 2.86Å; S368-R383 PolarHBondContact OG-NH2 3.15Å; S368-I387 WeakPolarHBondContact O-CD1 3.49Å |
| 369 | V | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.5 | -36.3 | 174.5 | 179.6 | 0 | 0 | 0 | 0 | 111.9 | F365 W366 L367 D371 L372 K373 I387 F422 Q426 | F365-V369 HydrophobicContact CD2-CG2 4.21Å; F365-V369 HydrophobicContact CE1-CG2 4.13Å; F365-V369 HydrophobicContact CE2-CG2 3.75Å; F365-V369 HydrophobicContact CZ-CG2 3.72Å; F365-V369 WeakPolarHBondContact O-CG2 3.05Å; F365-V369 PolarHBondContact O-N 3.49Å; W366-V369 PolarHBondContact O-N 2.72Å; L367-V369 VanDerWaalsContact C-N 3.31Å; L367-V369 PolarHBondContact O-N 3.24Å; V369-D371 VanDerWaalsContact C-N 3.3Å; V369-D371 PolarHBondContact O-N 3.34Å; V369-L372 WeakPolarHBondContact O-CB 3.24Å; V369-L372 PolarHBondContact O-N 3.45Å; V369-K373 WeakPolarHBondContact O-CG 3.45Å; V369-K373 PolarHBondContact O-N 3.47Å; V369-I387 HydrophobicContact CG2-CG2 4.35Å; V369-F422 HydrophobicContact CB-CB 4.43Å; V369-F422 HydrophobicContact CG1-CB 3.85Å; V369-F422 HydrophobicContact CG2-CB 3.62Å; V369-F422 HydrophobicContact CG2-CD2 4.1Å; V369-F422 HydrophobicContact CG2-CG 3.97Å; V369-Q426 HydrophobicContact CB-CB 4.47Å; V369-Q426 HydrophobicContact CB-CG 4.33Å; V369-Q426 HydrophobicContact CG1-CB 4.03Å; V369-Q426 VanDerWaalsContact CG1-CD 3.42Å; V369-Q426 HydrophobicContact CG1-CG 4.12Å |
| 370 | Q | 97.3 | Very high | 97.4 | Very high | 52 Ų | 52 | 49.7 Ų | 49.7 | 24% | 0.243 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.9 | -38.1 | 172 | -73.1 | -61.2 | -28.6 | 0 | 0 | 112.3 | W366 L367 | W366-Q370 HydrophobicContact CD2-CG 4.04Å; W366-Q370 HydrophobicContact CE3-CG 3.77Å; W366-Q370 HydrophobicContact CH2-CG 3.55Å; W366-Q370 HydrophobicContact CZ2-CG 3.81Å; W366-Q370 VanDerWaalsContact CZ2-NE2 3.26Å; W366-Q370 HydrophobicContact CZ3-CG 3.53Å; W366-Q370 WeakPolarHBondContact O-CG 3.33Å; W366-Q370 PolarHBondContact O-N 3.12Å; L367-Q370 WeakPolarHBondContact O-CB 3Å; L367-Q370 PolarHBondContact O-N 3.23Å |
| 371 | D | 97.3 | Very high | 97.4 | Very high | 61 Ų | 61 | 52.5 Ų | 52.5 | 33% | 0.326 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.3 | -46.5 | 174.8 | 177.1 | 70 | 0 | 0 | 0 | 111.3 | L367 S368 V369 K373 K374 Q375 R383 | L367-D371 WeakPolarHBondContact O-CB 3.45Å; L367-D371 PolarHBondContact O-N 2.73Å; S368-D371 PolarHBondContact O-N 2.97Å; V369-D371 VanDerWaalsContact C-N 3.3Å; V369-D371 PolarHBondContact O-N 3.34Å; D371-K373 PolarHBondContact O-N 2.95Å; D371-K374 CarbonylContact O-C 3.45Å; D371-K374 WeakPolarHBondContact O-CA 3.33Å; D371-K374 WeakPolarHBondContact O-CB 3.38Å; D371-K374 PolarHBondContact O-N 3.31Å; D371-Q375 VanDerWaalsContact CG-NE2 3.31Å; D371-Q375 PolarHBondContact O-N 3.23Å; D371-Q375 VanDerWaalsContact O-N 3.13Å; D371-Q375 PolarHBondContact OD1-NE2 3.35Å; D371-Q375 PolarHBondContact OD2-NE2 2.85Å; D371-R383 IonicContact OD2-CZ 3.95Å; D371-R383 IonicContact OD2-NE 2.71Å; D371-R383 PolarHBondContact OD2-NE 3.42Å; D371-R383 IonicContact OD2-NH2 2.63Å |
| 372 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -50.3 | -44.7 | 175 | 174 | 67.9 | 0 | 0 | 0 | 112.4 | S368 V369 K374 Q375 V380 R383 V384 I387 F422 | S368-L372 PolarHBondContact O-N 2.86Å; V369-L372 WeakPolarHBondContact O-CB 3.24Å; V369-L372 PolarHBondContact O-N 3.45Å; L372-K374 PolarHBondContact O-N 2.92Å; L372-K374 VanDerWaalsContact O-N 3.13Å; L372-Q375 PolarHBondContact O-N 3.02Å; L372-V380 HydrophobicContact CD1-CB 4.48Å; L372-V380 HydrophobicContact CD1-CG1 4.11Å; L372-R383 HydrophobicContact CB-CG 4.23Å; L372-R383 HydrophobicContact CD1-CB 3.67Å; L372-R383 HydrophobicContact CD1-CG 3.69Å; L372-V384 HydrophobicContact CD1-CG2 3.91Å; L372-V384 HydrophobicContact CD2-CG2 3.84Å; L372-I387 HydrophobicContact CB-CD1 3.87Å; L372-I387 HydrophobicContact CD2-CD1 4.24Å; L372-I387 HydrophobicContact CG-CD1 4.5Å; L372-F422 HydrophobicContact CD2-CD2 3.58Å; L372-F422 HydrophobicContact CD2-CE2 3.79Å |
| 373 | K | 97.5 | Very high | 97.4 | Very high | 51 Ų | 51 | 58.8 Ų | 58.8 | 22% | 0.222 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22.3 | 179.5 | -74.3 | 174.5 | 175.3 | -178.7 | 0 | 112.9 | V369 D371 R419 | V369-K373 WeakPolarHBondContact O-CG 3.45Å; V369-K373 PolarHBondContact O-N 3.47Å; D371-K373 PolarHBondContact O-N 2.95Å; K373-R419 VanDerWaalsContact CG-O 3.29Å; K373-R419 WeakPolarHBondContact CG-O 3.46Å; K373-R419 PolarHBondContact O-NH1 2.93Å |
| 374 | K | 96.9 | Very high | 97.4 | Very high | 162 Ų | 162 | 59 Ų | 59 | 70% | 0.704 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -11.4 | -178.9 | -60.9 | 171.9 | -171.9 | 173.8 | 0 | 113.8 | D371 L372 | D371-K374 CarbonylContact O-C 3.45Å; D371-K374 WeakPolarHBondContact O-CA 3.33Å; D371-K374 WeakPolarHBondContact O-CB 3.38Å; D371-K374 PolarHBondContact O-N 3.31Å; L372-K374 PolarHBondContact O-N 2.92Å; L372-K374 VanDerWaalsContact O-N 3.13Å |
| 375 | Q | 97.1 | Very high | 97.3 | Very high | 48 Ų | 48 | 59.4 Ų | 59.4 | 22% | 0.224 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -62.2 | 151.6 | -179.4 | -71.2 | -59.3 | -28.7 | 0 | 0 | 112.8 | D371 L372 V380 R383 R419 | D371-Q375 VanDerWaalsContact CG-NE2 3.31Å; D371-Q375 PolarHBondContact O-N 3.23Å; D371-Q375 VanDerWaalsContact O-N 3.13Å; D371-Q375 PolarHBondContact OD1-NE2 3.35Å; D371-Q375 PolarHBondContact OD2-NE2 2.85Å; L372-Q375 PolarHBondContact O-N 3.02Å; Q375-V380 HydrophobicContact CB-CG2 4.36Å; Q375-R383 HydrophobicContact CG-CG 4.24Å; Q375-R419 PolarHBondContact O-NH1 2.93Å; Q375-R419 PolarHBondContact O-NH2 3.01Å |
| 376 | P | 97.1 | Very high | 97.3 | Very high | 68 Ų | 68 | 62.8 Ų | 62.8 | 44% | 0.442 | 31% | 0.313 | S | S | . | . | trans | -58.3 | 146.9 | 166.7 | -22 | 34.5 | 0 | 0 | 0 | 111.2 | Q378 D379 V380 | P376-Q378 HydrophobicContact CB-CG 4.19Å; P376-Q378 PolarHBondContact O-N 3.09Å; P376-Q378 VanDerWaalsContact O-N 3.11Å; P376-D379 PolarHBondContact O-N 3.19Å; P376-V380 PolarHBondContact O-N 2.57Å | ||
| 377 | L | 96.4 | Very high | 97.3 | Very high | 134 Ų | 134 | 61.5 Ų | 61.5 | 70% | 0.702 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -57.6 | -33.6 | -173 | -174.2 | 63.7 | 0 | 0 | 0 | 113.2 | D379 V380 | L377-D379 VanDerWaalsContact C-N 3.25Å; L377-D379 PolarHBondContact O-N 2.91Å; L377-V380 HydrophobicContact CD1-CG2 4.48Å; L377-V380 PolarHBondContact O-N 3.32Å |
| 378 | Q | 96.3 | Very high | 97.3 | Very high | 162 Ų | 162 | 60.2 Ų | 60.2 | 76% | 0.757 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.5 | -27.9 | 178 | 69.4 | -172.8 | 22.6 | 0 | 0 | 113.6 | P376 | P376-Q378 HydrophobicContact CB-CG 4.19Å; P376-Q378 PolarHBondContact O-N 3.09Å; P376-Q378 VanDerWaalsContact O-N 3.11Å |
| 379 | D | 96.6 | Very high | 97.2 | Very high | 59 Ų | 59 | 63.9 Ų | 63.9 | 32% | 0.316 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -96.1 | -13.3 | -175.2 | -59.8 | -50.7 | 0 | 0 | 0 | 112.1 | P376 L377 A381 K382 R383 | P376-D379 PolarHBondContact O-N 3.19Å; L377-D379 VanDerWaalsContact C-N 3.25Å; L377-D379 PolarHBondContact O-N 2.91Å; D379-A381 PolarHBondContact O-N 3.18Å; D379-K382 PolarHBondContact O-N 3.07Å; D379-R383 WeakPolarHBondContact O-CB 3.47Å; D379-R383 PolarHBondContact O-N 2.58Å |
| 380 | V | 97.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.8 | -49.2 | -176.6 | 168.6 | 0 | 0 | 0 | 0 | 111.6 | L372 Q375 P376 L377 K382 R383 V384 R419 | L372-V380 HydrophobicContact CD1-CB 4.48Å; L372-V380 HydrophobicContact CD1-CG1 4.11Å; Q375-V380 HydrophobicContact CB-CG2 4.36Å; P376-V380 PolarHBondContact O-N 2.57Å; L377-V380 HydrophobicContact CD1-CG2 4.48Å; L377-V380 PolarHBondContact O-N 3.32Å; V380-K382 VanDerWaalsContact C-N 3.34Å; V380-K382 PolarHBondContact O-N 3.1Å; V380-R383 PolarHBondContact O-N 2.8Å; V380-V384 HydrophobicContact CG1-CG2 4.33Å; V380-V384 WeakPolarHBondContact O-CG2 3.42Å; V380-V384 PolarHBondContact O-N 3.02Å; V380-R419 HydrophobicContact CG1-CG 4.44Å; V380-R419 HydrophobicContact CG2-CG 4.02Å |
| 381 | A | 95.9 | Very high | 97.3 | Very high | 67 Ų | 67 | 64.4 Ų | 64.4 | 55% | 0.554 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61 | -43.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112 | D379 V384 E385 | D379-A381 PolarHBondContact O-N 3.18Å; A381-V384 PolarHBondContact O-N 3.48Å; A381-E385 PolarHBondContact O-N 3.09Å |
| 382 | K | 96.3 | Very high | 97.2 | Very high | 140 Ų | 140 | 62.1 Ų | 62.1 | 61% | 0.609 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.7 | -45.3 | 176.1 | -172.3 | -168.9 | 178.3 | -138 | 0 | 111.1 | D379 V380 V384 E385 E386 | D379-K382 PolarHBondContact O-N 3.07Å; V380-K382 VanDerWaalsContact C-N 3.34Å; V380-K382 PolarHBondContact O-N 3.1Å; K382-V384 VanDerWaalsContact C-N 3.31Å; K382-V384 PolarHBondContact O-N 3.12Å; K382-E385 PolarHBondContact O-N 3.08Å; K382-E386 WeakPolarHBondContact CE-OE1 3.32Å; K382-E386 IonicContact NZ-OE1 2.97Å; K382-E386 PolarHBondContact NZ-OE1 3.48Å; K382-E386 WeakPolarHBondContact O-CG 3.48Å; K382-E386 PolarHBondContact O-N 3Å |
| 383 | R | 97.9 | Very high | 97.1 | Very high | 46 Ų | 46 | 62.5 Ų | 62.5 | 17% | 0.174 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.7 | -34.3 | -179.2 | -171.4 | 64.6 | 175.7 | 140.9 | 9.2 | 112.2 | S368 D371 L372 Q375 D379 V380 E386 I387 | S368-R383 PolarHBondContact OG-NH2 3.15Å; D371-R383 IonicContact OD2-CZ 3.95Å; D371-R383 IonicContact OD2-NE 2.71Å; D371-R383 PolarHBondContact OD2-NE 3.42Å; D371-R383 IonicContact OD2-NH2 2.63Å; L372-R383 HydrophobicContact CB-CG 4.23Å; L372-R383 HydrophobicContact CD1-CB 3.67Å; L372-R383 HydrophobicContact CD1-CG 3.69Å; Q375-R383 HydrophobicContact CG-CG 4.24Å; D379-R383 WeakPolarHBondContact O-CB 3.47Å; D379-R383 PolarHBondContact O-N 2.58Å; V380-R383 PolarHBondContact O-N 2.8Å; R383-E386 WeakPolarHBondContact CD-OE2 3.29Å; R383-E386 IonicContact NH1-OE2 3.16Å; R383-E386 PolarHBondContact NH1-OE2 2.9Å; R383-E386 VanDerWaalsContact NH1-OE2 3.16Å; R383-E386 PolarHBondContact O-N 3.02Å; R383-I387 HydrophobicContact CG-CD1 4.04Å; R383-I387 VanDerWaalsContact O-CG1 3.25Å; R383-I387 WeakPolarHBondContact O-CG1 3.39Å; R383-I387 PolarHBondContact O-N 3.29Å |
| 384 | V | 98.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.5 | -48.6 | 172.7 | 167.4 | 0 | 0 | 0 | 0 | 110.7 | L372 V380 A381 K382 E386 I387 W388 V414 T421 F422 | L372-V384 HydrophobicContact CD1-CG2 3.91Å; L372-V384 HydrophobicContact CD2-CG2 3.84Å; V380-V384 HydrophobicContact CG1-CG2 4.33Å; V380-V384 WeakPolarHBondContact O-CG2 3.42Å; V380-V384 PolarHBondContact O-N 3.02Å; A381-V384 PolarHBondContact O-N 3.48Å; K382-V384 VanDerWaalsContact C-N 3.31Å; K382-V384 PolarHBondContact O-N 3.12Å; V384-E386 PolarHBondContact O-N 3.04Å; V384-I387 PolarHBondContact O-N 3.27Å; V384-W388 WeakPolarHBondContact O-CB 3.27Å; V384-W388 PolarHBondContact O-N 3.41Å; V384-V414 HydrophobicContact CG1-CB 4.46Å; V384-V414 HydrophobicContact CG1-CG1 4.13Å; V384-V414 HydrophobicContact CG1-CG2 4.14Å; V384-T421 HydrophobicContact CG1-CG2 3.96Å; V384-F422 HydrophobicContact CB-CE2 4.25Å; V384-F422 HydrophobicContact CG1-CE2 4.04Å; V384-F422 HydrophobicContact CG1-CZ 3.99Å; V384-F422 HydrophobicContact CG2-CE2 4.14Å; V384-F422 WeakPolarHBondContact O-CZ 3.29Å |
| 385 | E | 96.9 | Very high | 96.7 | Very high | 91 Ų | 91 | 62 Ų | 62 | 43% | 0.425 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 178.8 | -172.3 | 61 | -146.2 | 0 | 0 | 111.7 | A381 K382 I387 W388 Q389 | A381-E385 PolarHBondContact O-N 3.09Å; K382-E385 PolarHBondContact O-N 3.08Å; E385-I387 PolarHBondContact O-N 2.85Å; E385-W388 PolarHBondContact O-N 2.95Å; E385-Q389 HydrophobicContact CG-CG 4.41Å; E385-Q389 VanDerWaalsContact O-CG 3.3Å; E385-Q389 WeakPolarHBondContact O-CG 3.46Å; E385-Q389 PolarHBondContact O-N 2.97Å; E385-Q389 WeakPolarHBondContact OE1-CG 3.29Å; E385-Q389 PolarHBondContact OE1-NE2 2.94Å |
| 386 | E | 97.6 | Very high | 96.6 | Very high | 71 Ų | 71 | 60.4 Ų | 60.4 | 33% | 0.332 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.4 | -46.7 | 177.3 | -71 | 171.6 | -177.7 | 0 | 0 | 112 | K382 R383 V384 Q389 E390 | K382-E386 WeakPolarHBondContact CE-OE1 3.32Å; K382-E386 IonicContact NZ-OE1 2.97Å; K382-E386 PolarHBondContact NZ-OE1 3.48Å; K382-E386 WeakPolarHBondContact O-CG 3.48Å; K382-E386 PolarHBondContact O-N 3Å; R383-E386 WeakPolarHBondContact CD-OE2 3.29Å; R383-E386 IonicContact NH1-OE2 3.16Å; R383-E386 PolarHBondContact NH1-OE2 2.9Å; R383-E386 VanDerWaalsContact NH1-OE2 3.16Å; R383-E386 PolarHBondContact O-N 3.02Å; V384-E386 PolarHBondContact O-N 3.04Å; E386-Q389 PolarHBondContact O-N 3.39Å; E386-E390 WeakPolarHBondContact O-CB 3.36Å; E386-E390 PolarHBondContact O-N 3.48Å |
| 387 | I | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 179 | -67 | 171 | 0 | 0 | 0 | 110.9 | F365 S368 V369 L372 R383 V384 E385 E390 F391 F422 | F365-I387 HydrophobicContact CD2-CG2 4.09Å; F365-I387 HydrophobicContact CE2-CG2 3.9Å; S368-I387 WeakPolarHBondContact O-CD1 3.49Å; V369-I387 HydrophobicContact CG2-CG2 4.35Å; L372-I387 HydrophobicContact CB-CD1 3.87Å; L372-I387 HydrophobicContact CD2-CD1 4.24Å; L372-I387 HydrophobicContact CG-CD1 4.5Å; R383-I387 HydrophobicContact CG-CD1 4.04Å; R383-I387 VanDerWaalsContact O-CG1 3.25Å; R383-I387 WeakPolarHBondContact O-CG1 3.39Å; R383-I387 PolarHBondContact O-N 3.29Å; V384-I387 PolarHBondContact O-N 3.27Å; E385-I387 PolarHBondContact O-N 2.85Å; I387-E390 PolarHBondContact O-N 2.9Å; I387-F391 HydrophobicContact CG2-CD2 4.07Å; I387-F391 WeakPolarHBondContact O-CD2 3.36Å; I387-F391 PolarHBondContact O-N 2.8Å; I387-F391 VanDerWaalsContact O-N 3.12Å; I387-F422 HydrophobicContact CB-CE2 3.88Å; I387-F422 HydrophobicContact CB-CZ 3.86Å; I387-F422 HydrophobicContact CD1-CE2 4.27Å; I387-F422 HydrophobicContact CG2-CD1 4.37Å; I387-F422 HydrophobicContact CG2-CD2 4.15Å; I387-F422 HydrophobicContact CG2-CE1 3.99Å; I387-F422 HydrophobicContact CG2-CE2 3.73Å; I387-F422 HydrophobicContact CG2-CG 4.46Å; I387-F422 HydrophobicContact CG2-CZ 3.65Å |
| 388 | W | 97.6 | Very high | 96.5 | Very high | 29 Ų | 29 | 57.1 Ų | 57.1 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.5 | -50 | 176.6 | 175.9 | -101 | 0 | 0 | 0 | 111.1 | V384 E385 E390 L392 A393 Y407 T410 V414 F422 | V384-W388 WeakPolarHBondContact O-CB 3.27Å; V384-W388 PolarHBondContact O-N 3.41Å; E385-W388 PolarHBondContact O-N 2.95Å; W388-E390 VanDerWaalsContact C-N 3.34Å; W388-E390 PolarHBondContact O-N 3.45Å; W388-L392 HydrophobicContact CD2-CB 4.13Å; W388-L392 HydrophobicContact CE3-CB 3.58Å; W388-L392 HydrophobicContact CE3-CD1 3.95Å; W388-L392 HydrophobicContact CE3-CG 4.42Å; W388-L392 HydrophobicContact CH2-CB 4.39Å; W388-L392 HydrophobicContact CZ3-CB 3.74Å; W388-L392 HydrophobicContact CZ3-CD1 4.07Å; W388-L392 CarbonylContact O-C 3.59Å; W388-L392 PolarHBondContact O-N 3.23Å; W388-A393 PolarHBondContact O-N 3.24Å; W388-Y407 HydrophobicContact CH2-CE2 4.05Å; W388-Y407 AromaticContact CH2-CZ 3.91Å; W388-T410 HydrophobicContact CE3-CG2 4.48Å; W388-T410 HydrophobicContact CZ3-CG2 4.21Å; W388-V414 HydrophobicContact CB-CG1 4.44Å; W388-V414 HydrophobicContact CD2-CG1 4.36Å; W388-V414 HydrophobicContact CD2-CG2 4.23Å; W388-V414 HydrophobicContact CE3-CG2 3.73Å; W388-V414 HydrophobicContact CG-CG1 4.26Å; W388-V414 HydrophobicContact CZ3-CG2 4.31Å; W388-F422 HydrophobicContact CB-CZ 4.37Å; W388-F422 HydrophobicContact CE3-CE1 4.42Å |
| 389 | Q | 97.8 | Very high | 96.4 | Very high | 95 Ų | 95 | 52.3 Ų | 52.3 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.1 | -34.8 | -179.4 | -66 | -60.6 | -28.1 | 0 | 0 | 113.2 | E385 E386 A396 P397 | E385-Q389 HydrophobicContact CG-CG 4.41Å; E385-Q389 VanDerWaalsContact O-CG 3.3Å; E385-Q389 WeakPolarHBondContact O-CG 3.46Å; E385-Q389 PolarHBondContact O-N 2.97Å; E385-Q389 WeakPolarHBondContact OE1-CG 3.29Å; E385-Q389 PolarHBondContact OE1-NE2 2.94Å; E386-Q389 PolarHBondContact O-N 3.39Å; Q389-A396 WeakPolarHBondContact O-CB 3.41Å; Q389-P397 WeakPolarHBondContact O-CD 3.46Å |
| 390 | E | 98.1 | Very high | 96.4 | Very high | 62 Ų | 62 | 50.4 Ų | 50.4 | 29% | 0.29 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -75.4 | -37.7 | -177.9 | -173.5 | 177.8 | 175.6 | 0 | 0 | 113.4 | E386 I387 W388 P397 S398 | E386-E390 WeakPolarHBondContact O-CB 3.36Å; E386-E390 PolarHBondContact O-N 3.48Å; I387-E390 PolarHBondContact O-N 2.9Å; W388-E390 VanDerWaalsContact C-N 3.34Å; W388-E390 PolarHBondContact O-N 3.45Å; E390-P397 WeakPolarHBondContact O-CD 3.35Å; E390-S398 CarbonylContact O-C 3.5Å; E390-S398 PolarHBondContact O-N 2.87Å |
| 391 | F | 97.9 | Very high | 96 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -120.1 | -23.6 | -167 | -61 | -76.6 | 0 | 0 | 0 | 115.7 | R364 F365 I387 S398 A399 I400 | R364-F391 HydrophobicContact CB-CE1 3.92Å; R364-F391 HydrophobicContact CB-CZ 3.96Å; F365-F391 HydrophobicContact CB-CB 4.47Å; F365-F391 HydrophobicContact CB-CD1 3.71Å; F365-F391 HydrophobicContact CB-CD2 4.3Å; F365-F391 HydrophobicContact CB-CE1 3.97Å; F365-F391 HydrophobicContact CB-CG 3.9Å; F365-F391 HydrophobicContact CB-CZ 4.39Å; F365-F391 HydrophobicContact CD2-CB 3.69Å; F365-F391 HydrophobicContact CD2-CD1 4.41Å; F365-F391 AromaticContact CD2-CD2 3.84Å; F365-F391 HydrophobicContact CD2-CD2 3.84Å; F365-F391 AromaticContact CD2-CG 3.73Å; F365-F391 HydrophobicContact CD2-CG 3.73Å; F365-F391 HydrophobicContact CE2-CB 4.42Å; F365-F391 HydrophobicContact CG-CB 4.44Å; F365-F391 HydrophobicContact CG-CG 4.28Å; I387-F391 HydrophobicContact CG2-CD2 4.07Å; I387-F391 WeakPolarHBondContact O-CD2 3.36Å; I387-F391 PolarHBondContact O-N 2.8Å; I387-F391 VanDerWaalsContact O-N 3.12Å; F391-S398 VanDerWaalsContact CD1-O 3.29Å; F391-S398 WeakPolarHBondContact CD1-O 3.41Å; F391-A399 WeakPolarHBondContact O-CA 3.43Å; F391-I400 HydrophobicContact CB-CG1 4.35Å; F391-I400 HydrophobicContact CB-CG2 4.43Å; F391-I400 HydrophobicContact CD1-CG2 4.07Å; F391-I400 PolarHBondContact O-N 2.92Å |
| 392 | L | 96.6 | Very high | 95.8 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | -24.5 | -167.4 | -68.7 | 176.6 | 0 | 0 | 0 | 115.1 | F365 W388 I400 L402 Y407 T410 F422 | F365-L392 HydrophobicContact CE2-CD1 4.13Å; F365-L392 HydrophobicContact CZ-CD1 4.46Å; W388-L392 HydrophobicContact CD2-CB 4.13Å; W388-L392 HydrophobicContact CE3-CB 3.58Å; W388-L392 HydrophobicContact CE3-CD1 3.95Å; W388-L392 HydrophobicContact CE3-CG 4.42Å; W388-L392 HydrophobicContact CH2-CB 4.39Å; W388-L392 HydrophobicContact CZ3-CB 3.74Å; W388-L392 HydrophobicContact CZ3-CD1 4.07Å; W388-L392 CarbonylContact O-C 3.59Å; W388-L392 PolarHBondContact O-N 3.23Å; L392-I400 HydrophobicContact CD2-CD1 3.77Å; L392-I400 HydrophobicContact CD2-CG1 3.55Å; L392-I400 HydrophobicContact CG-CD1 4.42Å; L392-I400 HydrophobicContact CG-CG1 4.37Å; L392-L402 HydrophobicContact CD1-CD1 4.26Å; L392-L402 HydrophobicContact CD2-CD1 3.35Å; L392-L402 HydrophobicContact CD2-CG 4.1Å; L392-L402 HydrophobicContact CG-CD1 4.45Å; L392-Y407 HydrophobicContact CB-CE2 4.48Å; L392-Y407 HydrophobicContact CD2-CD2 4.36Å; L392-Y407 WeakPolarHBondContact O-CE2 3.48Å; L392-Y407 PolarHBondContact O-OH 3.06Å; L392-T410 HydrophobicContact CD1-CG2 3.82Å; L392-F422 HydrophobicContact CD1-CD1 3.98Å; L392-F422 HydrophobicContact CD1-CE1 3.94Å |
| 393 | A | 94.9 | Very high | 95.6 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 7% | 0.074 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -59.6 | 150.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | W388 G395 A396 | W388-A393 PolarHBondContact O-N 3.24Å; A393-G395 PolarHBondContact O-N 3.29Å; A393-G395 VanDerWaalsContact O-N 3.11Å; A393-A396 WeakPolarHBondContact O-CB 3.42Å; A393-A396 PolarHBondContact O-N 2.95Å |
| 394 | P | 93.1 | Very high | 95.3 | Very high | 118 Ų | 118 | 52.5 Ų | 52.5 | 77% | 0.766 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 119.5 | 173.5 | -24.8 | 34.5 | 0 | 0 | 0 | 111.2 | ||
| 395 | G | 92.9 | Very high | 95 | Very high | 85 Ų | 85 | 58 Ų | 58 | 88% | 0.876 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 18.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A393 | A393-G395 PolarHBondContact O-N 3.29Å; A393-G395 VanDerWaalsContact O-N 3.11Å |
| 396 | A | 95.8 | Very high | 94.8 | Very high | 13 Ų | 13 | 54.2 Ų | 54.2 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | trans | -53 | 138.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q389 A393 S398 A399 | Q389-A396 WeakPolarHBondContact O-CB 3.41Å; A393-A396 WeakPolarHBondContact O-CB 3.42Å; A393-A396 PolarHBondContact O-N 2.95Å; A396-S398 VanDerWaalsContact C-N 3.27Å; A396-S398 PolarHBondContact O-N 3.33Å; A396-A399 HydrophobicContact CB-CB 4.16Å; A396-A399 PolarHBondContact O-N 3.14Å | ||
| 397 | P | 94.9 | Very high | 94.7 | Very high | 111 Ų | 111 | 54.5 Ų | 54.5 | 72% | 0.721 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -23.8 | -175.4 | 27.8 | -35.8 | 0 | 0 | 0 | 113.7 | Q389 E390 | Q389-P397 WeakPolarHBondContact O-CD 3.46Å; E390-P397 WeakPolarHBondContact O-CD 3.35Å |
| 398 | S | 95.6 | Very high | 94.5 | Very high | 22 Ų | 22 | 60.5 Ų | 60.5 | 15% | 0.154 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | 50.2 | 174.6 | -69.6 | 0 | 0 | 0 | 0 | 110.1 | R364 E390 F391 A396 I400 | R364-S398 PolarHBondContact NH1-OG 3.46Å; R364-S398 VanDerWaalsContact NH1-OG 3.1Å; E390-S398 CarbonylContact O-C 3.5Å; E390-S398 PolarHBondContact O-N 2.87Å; F391-S398 VanDerWaalsContact CD1-O 3.29Å; F391-S398 WeakPolarHBondContact CD1-O 3.41Å; A396-S398 VanDerWaalsContact C-N 3.27Å; A396-S398 PolarHBondContact O-N 3.33Å; S398-I400 PolarHBondContact O-N 2.88Å |
| 399 | A | 94.6 | Very high | 94.3 | Very high | 62 Ų | 62 | 61.3 Ų | 61.3 | 51% | 0.512 | 36% | 0.362 | S | S | . | . | trans | -54.7 | 122.8 | -177 | 0 | 0 | 0 | 0 | 0 | 112.5 | F391 A396 | F391-A399 WeakPolarHBondContact O-CA 3.43Å; A396-A399 HydrophobicContact CB-CB 4.16Å; A396-A399 PolarHBondContact O-N 3.14Å | ||
| 400 | I | 95.7 | Very high | 94.1 | Very high | 18 Ų | 18 | 56.8 Ų | 56.8 | 9% | 0.092 | 34% | 0.341 | C | S | . | . | trans | -90.3 | 153 | 175.2 | 58.6 | 166 | 0 | 0 | 0 | 111.2 | E361 F365 F391 L392 S398 L402 I429 | E361-I400 HydrophobicContact CB-CG2 4.05Å; E361-I400 HydrophobicContact CG-CG2 3.83Å; F365-I400 HydrophobicContact CB-CD1 4.28Å; F365-I400 HydrophobicContact CB-CG2 3.96Å; F365-I400 HydrophobicContact CD1-CD1 3.54Å; F365-I400 HydrophobicContact CD2-CD1 3.84Å; F365-I400 HydrophobicContact CE1-CD1 3.69Å; F365-I400 HydrophobicContact CE2-CD1 3.99Å; F365-I400 HydrophobicContact CG-CD1 3.6Å; F365-I400 HydrophobicContact CG-CG2 4.44Å; F365-I400 HydrophobicContact CZ-CD1 3.91Å; F391-I400 HydrophobicContact CB-CG1 4.35Å; F391-I400 HydrophobicContact CB-CG2 4.43Å; F391-I400 HydrophobicContact CD1-CG2 4.07Å; F391-I400 PolarHBondContact O-N 2.92Å; L392-I400 HydrophobicContact CD2-CD1 3.77Å; L392-I400 HydrophobicContact CD2-CG1 3.55Å; L392-I400 HydrophobicContact CG-CD1 4.42Å; L392-I400 HydrophobicContact CG-CG1 4.37Å; S398-I400 PolarHBondContact O-N 2.88Å; I400-L402 HydrophobicContact CD1-CD1 4.05Å; I400-L402 HydrophobicContact CD1-CD2 4.12Å; I400-L402 HydrophobicContact CD1-CG 3.84Å; I400-L402 HydrophobicContact CG1-CG 4.2Å; I400-I429 HydrophobicContact CB-CD1 4.27Å; I400-I429 HydrophobicContact CD1-CD1 3.9Å; I400-I429 HydrophobicContact CD1-CG1 3.79Å | ||
| 401 | N | 89.5 | Confident | 93.9 | Very high | 127 Ų | 127 | 55.8 Ų | 55.8 | 68% | 0.679 | 34% | 0.341 | S | S | * | . | trans | -86.6 | 113.4 | 173.5 | -169.4 | 16 | 0 | 0 | 0 | 110.1 | ||||
| 402 | L | 92.5 | Very high | 93.7 | Very high | 21 Ų | 21 | 61.1 Ų | 61.1 | 11% | 0.11 | 37% | 0.366 | C | S | . | . | trans | -119.6 | 148.4 | 174.1 | -75.2 | -177 | 0 | 0 | 0 | 110.4 | L392 I400 A425 H428 I429 | L392-L402 HydrophobicContact CD1-CD1 4.26Å; L392-L402 HydrophobicContact CD2-CD1 3.35Å; L392-L402 HydrophobicContact CD2-CG 4.1Å; L392-L402 HydrophobicContact CG-CD1 4.45Å; I400-L402 HydrophobicContact CD1-CD1 4.05Å; I400-L402 HydrophobicContact CD1-CD2 4.12Å; I400-L402 HydrophobicContact CD1-CG 3.84Å; I400-L402 HydrophobicContact CG1-CG 4.2Å; L402-A425 HydrophobicContact CD1-CB 3.61Å; L402-A425 HydrophobicContact CD2-CB 4.13Å; L402-H428 HydrophobicContact CD2-CB 4.11Å; L402-I429 HydrophobicContact CD2-CD1 3.8Å; L402-I429 HydrophobicContact CD2-CG1 3.72Å | ||
| 403 | D | 91.6 | Very high | 93.6 | Very high | 64 Ų | 64 | 63.4 Ų | 63.4 | 34% | 0.342 | 38% | 0.378 | S | S | . | . | trans | -64.6 | 155.7 | 167.2 | 65.7 | 40.2 | 0 | 0 | 0 | 111.8 | H405 S406 Y407 H428 | D403-H405 PolarHBondContact O-N 2.95Å; D403-H405 PolarHBondContact OD1-N 3.13Å; D403-S406 PolarHBondContact O-N 2.64Å; D403-S406 WeakPolarHBondContact OD1-CB 3.22Å; D403-S406 PolarHBondContact OD1-N 2.88Å; D403-S406 PolarHBondContact OD1-OG 3.49Å; D403-Y407 WeakPolarHBondContact O-CB 3.25Å; D403-Y407 PolarHBondContact O-N 3.06Å; D403-H428 IonicContact OD2-CE1 3.67Å; D403-H428 PolarHBondContact OD2-CE1 3.33Å; D403-H428 IonicContact OD2-ND1 3.42Å; D403-H428 PolarHBondContact OD2-ND1 2.96Å | ||
| 404 | S | 91.7 | Very high | 93.5 | Very high | 89 Ų | 89 | 64 Ų | 64 | 62% | 0.622 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -59.5 | -36.1 | -175.5 | 58 | 0 | 0 | 0 | 0 | 112.3 | Y407 E408 | S404-Y407 PolarHBondContact O-N 3.31Å; S404-E408 WeakPolarHBondContact O-CB 3.46Å; S404-E408 VanDerWaalsContact O-CG 3.27Å; S404-E408 WeakPolarHBondContact O-CG 3.39Å; S404-E408 PolarHBondContact O-N 2.94Å |
| 405 | H | 92.2 | Very high | 93.4 | Very high | 119 Ų | 119 | 65.8 Ų | 65.8 | 55% | 0.551 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.3 | -50.6 | -178.5 | -176.4 | 59.3 | 0 | 0 | 0 | 112.2 | D403 Y407 E408 I409 | D403-H405 PolarHBondContact O-N 2.95Å; D403-H405 PolarHBondContact OD1-N 3.13Å; H405-Y407 VanDerWaalsContact C-N 3.3Å; H405-Y407 PolarHBondContact O-N 3.39Å; H405-E408 PolarHBondContact O-N 2.77Å; H405-I409 WeakPolarHBondContact NE2-CD1 3.41Å; H405-I409 WeakPolarHBondContact O-CG1 3.39Å; H405-I409 PolarHBondContact O-N 3Å; H405-I409 VanDerWaalsContact O-N 3.08Å |
| 406 | S | 93 | Very high | 93.3 | Very high | 10 Ų | 10 | 68.8 Ų | 68.8 | 7% | 0.07 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.4 | -37.2 | 179.2 | -53.1 | 0 | 0 | 0 | 0 | 111 | D403 T410 | D403-S406 PolarHBondContact O-N 2.64Å; D403-S406 WeakPolarHBondContact OD1-CB 3.22Å; D403-S406 PolarHBondContact OD1-N 2.88Å; D403-S406 PolarHBondContact OD1-OG 3.49Å; S406-T410 VanDerWaalsContact O-CB 3.25Å; S406-T410 WeakPolarHBondContact O-CB 3.38Å; S406-T410 PolarHBondContact O-N 2.84Å; S406-T410 PolarHBondContact O-OG1 3.39Å |
| 407 | Y | 94.4 | Very high | 93 | Very high | 77 Ų | 77 | 69.5 Ų | 69.5 | 30% | 0.302 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 175.5 | -175.5 | -91.2 | 0 | 0 | 0 | 112.1 | W388 L392 D403 S404 H405 T410 S411 | W388-Y407 HydrophobicContact CH2-CE2 4.05Å; W388-Y407 AromaticContact CH2-CZ 3.91Å; L392-Y407 HydrophobicContact CB-CE2 4.48Å; L392-Y407 HydrophobicContact CD2-CD2 4.36Å; L392-Y407 WeakPolarHBondContact O-CE2 3.48Å; L392-Y407 PolarHBondContact O-OH 3.06Å; D403-Y407 WeakPolarHBondContact O-CB 3.25Å; D403-Y407 PolarHBondContact O-N 3.06Å; S404-Y407 PolarHBondContact O-N 3.31Å; H405-Y407 VanDerWaalsContact C-N 3.3Å; H405-Y407 PolarHBondContact O-N 3.39Å; Y407-T410 PolarHBondContact O-N 3.28Å; Y407-S411 VanDerWaalsContact O-CB 3.22Å; Y407-S411 WeakPolarHBondContact O-CB 3.44Å; Y407-S411 PolarHBondContact O-N 3.23Å |
| 408 | E | 93.9 | Very high | 92.9 | Very high | 126 Ų | 126 | 65.4 Ų | 65.4 | 59% | 0.589 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.7 | -47.3 | 178.2 | -77.9 | 171.5 | -163.2 | 0 | 0 | 112.3 | S404 H405 S411 Q412 | S404-E408 WeakPolarHBondContact O-CB 3.46Å; S404-E408 VanDerWaalsContact O-CG 3.27Å; S404-E408 WeakPolarHBondContact O-CG 3.39Å; S404-E408 PolarHBondContact O-N 2.94Å; H405-E408 PolarHBondContact O-N 2.77Å; E408-S411 PolarHBondContact O-N 3.23Å; E408-Q412 PolarHBondContact O-N 2.87Å; E408-Q412 VanDerWaalsContact O-N 3.08Å |
| 409 | I | 93.3 | Very high | 93 | Very high | 46 Ų | 46 | 67.8 Ų | 67.8 | 24% | 0.236 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.2 | -49.5 | 176.9 | -69 | 170.2 | 0 | 0 | 0 | 110.2 | H405 S411 Q412 N413 D424 | H405-I409 WeakPolarHBondContact NE2-CD1 3.41Å; H405-I409 WeakPolarHBondContact O-CG1 3.39Å; H405-I409 PolarHBondContact O-N 3Å; H405-I409 VanDerWaalsContact O-N 3.08Å; I409-S411 PolarHBondContact O-N 3.37Å; I409-Q412 PolarHBondContact O-N 3.21Å; I409-N413 WeakPolarHBondContact CG2-ND2 3.39Å; I409-N413 WeakPolarHBondContact O-CB 3.48Å; I409-N413 PolarHBondContact O-N 3.06Å; I409-N413 PolarHBondContact O-OD1 2.74Å; I409-D424 HydrophobicContact CG2-CB 4.44Å; I409-D424 WeakPolarHBondContact CG2-OD2 3.34Å |
| 410 | T | 94.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.6 | -44 | -179 | -57 | 0 | 0 | 0 | 0 | 111.3 | W388 L392 S406 Y407 Q412 N413 V414 F422 | W388-T410 HydrophobicContact CE3-CG2 4.48Å; W388-T410 HydrophobicContact CZ3-CG2 4.21Å; L392-T410 HydrophobicContact CD1-CG2 3.82Å; S406-T410 VanDerWaalsContact O-CB 3.25Å; S406-T410 WeakPolarHBondContact O-CB 3.38Å; S406-T410 PolarHBondContact O-N 2.84Å; S406-T410 PolarHBondContact O-OG1 3.39Å; Y407-T410 PolarHBondContact O-N 3.28Å; T410-Q412 VanDerWaalsContact C-N 3.27Å; T410-Q412 PolarHBondContact O-N 3.46Å; T410-N413 PolarHBondContact O-N 2.96Å; T410-N413 VanDerWaalsContact O-N 3.13Å; T410-V414 HydrophobicContact CG2-CG2 4.31Å; T410-V414 VanDerWaalsContact O-CG2 3.26Å; T410-V414 WeakPolarHBondContact O-CG2 3.49Å; T410-V414 PolarHBondContact O-N 3.11Å; T410-F422 HydrophobicContact CG2-CD1 3.45Å; T410-F422 VanDerWaalsContact CG2-CD1 3.45Å; T410-F422 HydrophobicContact CG2-CE1 3.81Å; T410-F422 HydrophobicContact CG2-CG 4.47Å |
| 411 | S | 93.9 | Very high | 93.1 | Very high | 42 Ų | 42 | 71.3 Ų | 71.3 | 29% | 0.294 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.9 | -37.8 | 177 | -178.8 | 0 | 0 | 0 | 0 | 112.5 | Y407 E408 I409 | Y407-S411 VanDerWaalsContact O-CB 3.22Å; Y407-S411 WeakPolarHBondContact O-CB 3.44Å; Y407-S411 PolarHBondContact O-N 3.23Å; E408-S411 PolarHBondContact O-N 3.23Å; I409-S411 PolarHBondContact O-N 3.37Å |
| 412 | Q | 93.9 | Very high | 93.5 | Very high | 113 Ų | 113 | 65.2 Ų | 65.2 | 53% | 0.528 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -72.2 | -41.7 | 174.6 | -173.8 | 61 | 21.8 | 0 | 0 | 111.9 | E408 I409 T410 V414 K415 | E408-Q412 PolarHBondContact O-N 2.87Å; E408-Q412 VanDerWaalsContact O-N 3.08Å; I409-Q412 PolarHBondContact O-N 3.21Å; T410-Q412 VanDerWaalsContact C-N 3.27Å; T410-Q412 PolarHBondContact O-N 3.46Å; Q412-V414 VanDerWaalsContact C-N 3.32Å; Q412-V414 PolarHBondContact O-N 2.82Å; Q412-K415 WeakPolarHBondContact O-CB 3.44Å; Q412-K415 PolarHBondContact O-N 2.95Å |
| 413 | N | 93.3 | Very high | 93.7 | Very high | 59 Ų | 59 | 68.8 Ų | 68.8 | 32% | 0.316 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.2 | -30.7 | -179.9 | -69.3 | -13.3 | 0 | 0 | 0 | 113.1 | I409 T410 K415 D416 T421 | I409-N413 WeakPolarHBondContact CG2-ND2 3.39Å; I409-N413 WeakPolarHBondContact O-CB 3.48Å; I409-N413 PolarHBondContact O-N 3.06Å; I409-N413 PolarHBondContact O-OD1 2.74Å; T410-N413 PolarHBondContact O-N 2.96Å; T410-N413 VanDerWaalsContact O-N 3.13Å; N413-K415 PolarHBondContact O-N 3.35Å; N413-D416 CarbonylContact O-C 3.55Å; N413-D416 VanDerWaalsContact O-C 3.28Å; N413-D416 PolarHBondContact O-N 3.11Å; N413-T421 HydrophobicContact CB-CG2 3.98Å; N413-T421 PolarHBondContact ND2-O 2.83Å |
| 414 | V | 93.6 | Very high | 93.8 | Very high | 23 Ų | 23 | 68.6 Ų | 68.6 | 14% | 0.139 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65 | -25.9 | 178.6 | 168 | 0 | 0 | 0 | 0 | 111.9 | V384 W388 T410 Q412 D416 G417 T421 F422 | V384-V414 HydrophobicContact CG1-CB 4.46Å; V384-V414 HydrophobicContact CG1-CG1 4.13Å; V384-V414 HydrophobicContact CG1-CG2 4.14Å; W388-V414 HydrophobicContact CB-CG1 4.44Å; W388-V414 HydrophobicContact CD2-CG1 4.36Å; W388-V414 HydrophobicContact CD2-CG2 4.23Å; W388-V414 HydrophobicContact CE3-CG2 3.73Å; W388-V414 HydrophobicContact CG-CG1 4.26Å; W388-V414 HydrophobicContact CZ3-CG2 4.31Å; T410-V414 HydrophobicContact CG2-CG2 4.31Å; T410-V414 VanDerWaalsContact O-CG2 3.26Å; T410-V414 WeakPolarHBondContact O-CG2 3.49Å; T410-V414 PolarHBondContact O-N 3.11Å; Q412-V414 VanDerWaalsContact C-N 3.32Å; Q412-V414 PolarHBondContact O-N 2.82Å; V414-D416 PolarHBondContact O-N 3.29Å; V414-G417 PolarHBondContact O-N 3.13Å; V414-T421 HydrophobicContact CB-CG2 4.21Å; V414-T421 HydrophobicContact CG2-CG2 3.41Å; V414-T421 VanDerWaalsContact CG2-CG2 3.41Å; V414-F422 HydrophobicContact CG2-CE1 4.01Å; V414-F422 HydrophobicContact CG2-CZ 4.14Å |
| 415 | K | 91.3 | Very high | 94.1 | Very high | 154 Ų | 154 | 64.4 Ų | 64.4 | 67% | 0.67 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -29.4 | 177.8 | -62.8 | 176.8 | -176.7 | 169.3 | 0 | 113.1 | Q412 N413 | Q412-K415 WeakPolarHBondContact O-CB 3.44Å; Q412-K415 PolarHBondContact O-N 2.95Å; N413-K415 PolarHBondContact O-N 3.35Å |
| 416 | D | 90 | Very high | 94.3 | Very high | 149 Ų | 149 | 59.2 Ų | 59.2 | 80% | 0.797 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.6 | 69.6 | 172.7 | -171 | 20.1 | 0 | 0 | 0 | 108.7 | N413 V414 G418 | N413-D416 CarbonylContact O-C 3.55Å; N413-D416 VanDerWaalsContact O-C 3.28Å; N413-D416 PolarHBondContact O-N 3.11Å; V414-D416 PolarHBondContact O-N 3.29Å; D416-G418 PolarHBondContact O-N 3.49Å |
| 417 | G | 89.6 | Confident | 94.5 | Very high | 27 Ų | 27 | 63.4 Ų | 63.4 | 28% | 0.278 | 31% | 0.313 | S | S | . | . | trans | -62.6 | 129.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V414 T421 | V414-G417 PolarHBondContact O-N 3.13Å; G417-T421 WeakPolarHBondContact CA-OG1 3.28Å | ||
| 418 | G | 93.9 | Very high | 94.6 | Very high | 26 Ų | 26 | 62.2 Ų | 62.2 | 27% | 0.268 | 31% | 0.31 | S | S | . | . | trans | -140.3 | -176.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D416 Y420 T421 | D416-G418 PolarHBondContact O-N 3.49Å; G418-Y420 PolarHBondContact O-N 3.49Å; G418-Y420 VanDerWaalsContact O-N 3.08Å; G418-T421 PolarHBondContact N-OG1 3.31Å; G418-T421 WeakPolarHBondContact O-CB 3.35Å; G418-T421 PolarHBondContact O-N 3.32Å; G418-T421 PolarHBondContact O-OG1 3.1Å; G418-T421 VanDerWaalsContact O-OG1 3.08Å | ||
| 419 | R | 96.8 | Very high | 94.7 | Very high | 71 Ų | 71 | 56.2 Ų | 56.2 | 27% | 0.268 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.2 | -177.8 | -67.2 | -179.8 | -173.5 | -90.7 | -12 | 114.1 | K373 Q375 V380 | K373-R419 VanDerWaalsContact CG-O 3.29Å; K373-R419 WeakPolarHBondContact CG-O 3.46Å; K373-R419 PolarHBondContact O-NH1 2.93Å; Q375-R419 PolarHBondContact O-NH1 2.93Å; Q375-R419 PolarHBondContact O-NH2 3.01Å; V380-R419 HydrophobicContact CG1-CG 4.44Å; V380-R419 HydrophobicContact CG2-CG 4.02Å |
| 420 | Y | 96.6 | Very high | 94.9 | Very high | 148 Ų | 148 | 55.8 Ų | 55.8 | 58% | 0.58 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.2 | 11 | -174.2 | -54.8 | -75.9 | 0 | 0 | 0 | 112.7 | G418 F422 E423 | G418-Y420 PolarHBondContact O-N 3.49Å; G418-Y420 VanDerWaalsContact O-N 3.08Å; Y420-F422 PolarHBondContact O-N 2.93Å; Y420-F422 VanDerWaalsContact O-N 3.15Å; Y420-E423 WeakPolarHBondContact O-CB 3.48Å; Y420-E423 PolarHBondContact O-N 3.36Å; Y420-E423 VanDerWaalsContact O-N 3.11Å |
| 421 | T | 97 | Very high | 95 | Very high | 6 Ų | 6 | 61.3 Ų | 61.3 | 4% | 0.037 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -37.3 | -177.5 | -72.1 | 0 | 0 | 0 | 0 | 113.9 | V384 N413 V414 G417 G418 | V384-T421 HydrophobicContact CG1-CG2 3.96Å; N413-T421 HydrophobicContact CB-CG2 3.98Å; N413-T421 PolarHBondContact ND2-O 2.83Å; V414-T421 HydrophobicContact CB-CG2 4.21Å; V414-T421 HydrophobicContact CG2-CG2 3.41Å; V414-T421 VanDerWaalsContact CG2-CG2 3.41Å; G417-T421 WeakPolarHBondContact CA-OG1 3.28Å; G418-T421 PolarHBondContact N-OG1 3.31Å; G418-T421 WeakPolarHBondContact O-CB 3.35Å; G418-T421 PolarHBondContact O-N 3.32Å; G418-T421 PolarHBondContact O-OG1 3.1Å; G418-T421 VanDerWaalsContact O-OG1 3.08Å |
| 422 | F | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 20.3 | -177.1 | -56.2 | -77.4 | 0 | 0 | 0 | 113.3 | F365 V369 L372 V384 I387 W388 L392 T410 V414 Y420 A425 Q426 | F365-F422 HydrophobicContact CE2-CD1 4.17Å; F365-F422 HydrophobicContact CE2-CG 4.5Å; F365-F422 HydrophobicContact CZ-CB 4.17Å; F365-F422 HydrophobicContact CZ-CD1 4.28Å; F365-F422 HydrophobicContact CZ-CG 4.47Å; V369-F422 HydrophobicContact CB-CB 4.43Å; V369-F422 HydrophobicContact CG1-CB 3.85Å; V369-F422 HydrophobicContact CG2-CB 3.62Å; V369-F422 HydrophobicContact CG2-CD2 4.1Å; V369-F422 HydrophobicContact CG2-CG 3.97Å; L372-F422 HydrophobicContact CD2-CD2 3.58Å; L372-F422 HydrophobicContact CD2-CE2 3.79Å; V384-F422 HydrophobicContact CB-CE2 4.25Å; V384-F422 HydrophobicContact CG1-CE2 4.04Å; V384-F422 HydrophobicContact CG1-CZ 3.99Å; V384-F422 HydrophobicContact CG2-CE2 4.14Å; V384-F422 WeakPolarHBondContact O-CZ 3.29Å; I387-F422 HydrophobicContact CB-CE2 3.88Å; I387-F422 HydrophobicContact CB-CZ 3.86Å; I387-F422 HydrophobicContact CD1-CE2 4.27Å; I387-F422 HydrophobicContact CG2-CD1 4.37Å; I387-F422 HydrophobicContact CG2-CD2 4.15Å; I387-F422 HydrophobicContact CG2-CE1 3.99Å; I387-F422 HydrophobicContact CG2-CE2 3.73Å; I387-F422 HydrophobicContact CG2-CG 4.46Å; I387-F422 HydrophobicContact CG2-CZ 3.65Å; W388-F422 HydrophobicContact CB-CZ 4.37Å; W388-F422 HydrophobicContact CE3-CE1 4.42Å; L392-F422 HydrophobicContact CD1-CD1 3.98Å; L392-F422 HydrophobicContact CD1-CE1 3.94Å; T410-F422 HydrophobicContact CG2-CD1 3.45Å; T410-F422 VanDerWaalsContact CG2-CD1 3.45Å; T410-F422 HydrophobicContact CG2-CE1 3.81Å; T410-F422 HydrophobicContact CG2-CG 4.47Å; V414-F422 HydrophobicContact CG2-CE1 4.01Å; V414-F422 HydrophobicContact CG2-CZ 4.14Å; Y420-F422 PolarHBondContact O-N 2.93Å; Y420-F422 VanDerWaalsContact O-N 3.15Å; F422-A425 PolarHBondContact O-N 3.16Å; F422-Q426 WeakPolarHBondContact O-CB 3.49Å; F422-Q426 PolarHBondContact O-N 3.19Å |
| 423 | E | 95.9 | Very high | 95.2 | Very high | 95 Ų | 95 | 56.7 Ų | 56.7 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.1 | -49 | -174 | -171.9 | 161.4 | -156.8 | 0 | 0 | 112.7 | Y420 Q426 E427 | Y420-E423 WeakPolarHBondContact O-CB 3.48Å; Y420-E423 PolarHBondContact O-N 3.36Å; Y420-E423 VanDerWaalsContact O-N 3.11Å; E423-Q426 PolarHBondContact O-N 3.09Å; E423-E427 PolarHBondContact O-N 2.66Å |
| 424 | D | 94.7 | Very high | 95.4 | Very high | 61 Ų | 61 | 58.2 Ų | 58.2 | 33% | 0.326 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61 | -48.4 | 177.2 | -57.7 | -92.8 | 0 | 0 | 0 | 112.1 | I409 Q426 E427 H428 | I409-D424 HydrophobicContact CG2-CB 4.44Å; I409-D424 WeakPolarHBondContact CG2-OD2 3.34Å; D424-Q426 PolarHBondContact O-N 3.28Å; D424-E427 PolarHBondContact O-N 3.39Å; D424-H428 PolarHBondContact O-N 3.06Å |
| 425 | A | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | F365 L402 F422 H428 I429 | F365-A425 HydrophobicContact CE1-CB 4.1Å; F365-A425 HydrophobicContact CZ-CB 3.74Å; L402-A425 HydrophobicContact CD1-CB 3.61Å; L402-A425 HydrophobicContact CD2-CB 4.13Å; F422-A425 PolarHBondContact O-N 3.16Å; A425-H428 PolarHBondContact O-N 3.41Å; A425-I429 VanDerWaalsContact O-CG1 3.3Å; A425-I429 WeakPolarHBondContact O-CG1 3.47Å; A425-I429 PolarHBondContact O-N 2.92Å |
| 426 | Q | 97.3 | Very high | 95.8 | Very high | 10 Ų | 10 | 57.2 Ų | 57.2 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65 | -40.8 | 178.1 | -175.1 | -179.6 | 45.8 | 0 | 0 | 111.6 | W366 V369 F422 E423 D424 Y430 | W366-Q426 HydrophobicContact CG-CG 4.24Å; W366-Q426 PolarHBondContact O-NE2 3.02Å; V369-Q426 HydrophobicContact CB-CB 4.47Å; V369-Q426 HydrophobicContact CB-CG 4.33Å; V369-Q426 HydrophobicContact CG1-CB 4.03Å; V369-Q426 VanDerWaalsContact CG1-CD 3.42Å; V369-Q426 HydrophobicContact CG1-CG 4.12Å; F422-Q426 WeakPolarHBondContact O-CB 3.49Å; F422-Q426 PolarHBondContact O-N 3.19Å; E423-Q426 PolarHBondContact O-N 3.09Å; D424-Q426 PolarHBondContact O-N 3.28Å; Q426-Y430 VanDerWaalsContact O-CB 3.25Å; Q426-Y430 WeakPolarHBondContact O-CB 3.32Å; Q426-Y430 PolarHBondContact O-N 2.95Å |
| 427 | E | 96.1 | Very high | 96.1 | Very high | 99 Ų | 99 | 50.3 Ų | 50.3 | 46% | 0.463 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 176.9 | -172.4 | 179.4 | -177.8 | 0 | 0 | 111.5 | E423 D424 Y430 K431 | E423-E427 PolarHBondContact O-N 2.66Å; D424-E427 PolarHBondContact O-N 3.39Å; E427-Y430 PolarHBondContact O-N 3.39Å; E427-K431 VanDerWaalsContact CD-NZ 3.32Å; E427-K431 HydrophobicContact CG-CD 4.27Å; E427-K431 WeakPolarHBondContact O-CG 3.25Å; E427-K431 PolarHBondContact O-N 3.01Å; E427-K431 WeakPolarHBondContact OE1-CE 3.33Å; E427-K431 IonicContact OE1-NZ 2.72Å; E427-K431 PolarHBondContact OE1-NZ 3.24Å |
| 428 | H | 96 | Very high | 96.5 | Very high | 52 Ų | 52 | 49.9 Ų | 49.9 | 24% | 0.241 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.2 | -53.2 | 175.2 | -176.4 | 95.7 | 0 | 0 | 0 | 111.1 | L402 D403 D424 A425 Y430 K431 L432 | L402-H428 HydrophobicContact CD2-CB 4.11Å; D403-H428 IonicContact OD2-CE1 3.67Å; D403-H428 PolarHBondContact OD2-CE1 3.33Å; D403-H428 IonicContact OD2-ND1 3.42Å; D403-H428 PolarHBondContact OD2-ND1 2.96Å; D424-H428 PolarHBondContact O-N 3.06Å; A425-H428 PolarHBondContact O-N 3.41Å; H428-Y430 VanDerWaalsContact C-N 3.34Å; H428-Y430 PolarHBondContact O-N 3.1Å; H428-K431 PolarHBondContact O-N 2.94Å; H428-L432 WeakPolarHBondContact O-CB 3.39Å; H428-L432 PolarHBondContact O-N 3.18Å |
| 429 | I | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -37.8 | -179.3 | -66 | -63.3 | 0 | 0 | 0 | 112.1 | N362 F365 I400 L402 A425 L432 M433 | N362-I429 HydrophobicContact CB-CG2 3.88Å; N362-I429 VanDerWaalsContact O-CG2 3.32Å; N362-I429 WeakPolarHBondContact O-CG2 3.44Å; F365-I429 HydrophobicContact CD1-CB 4.2Å; F365-I429 HydrophobicContact CD1-CG1 3.89Å; F365-I429 HydrophobicContact CD1-CG2 4.21Å; F365-I429 HydrophobicContact CE1-CB 4.42Å; F365-I429 HydrophobicContact CE1-CG1 3.99Å; I400-I429 HydrophobicContact CB-CD1 4.27Å; I400-I429 HydrophobicContact CD1-CD1 3.9Å; I400-I429 HydrophobicContact CD1-CG1 3.79Å; L402-I429 HydrophobicContact CD2-CD1 3.8Å; L402-I429 HydrophobicContact CD2-CG1 3.72Å; A425-I429 VanDerWaalsContact O-CG1 3.3Å; A425-I429 WeakPolarHBondContact O-CG1 3.47Å; A425-I429 PolarHBondContact O-N 2.92Å; I429-L432 HydrophobicContact CD1-CD2 4.39Å; I429-L432 PolarHBondContact O-N 3.07Å; I429-M433 HydrophobicContact CG2-CE 3.85Å; I429-M433 HydrophobicContact CG2-SD 4.48Å; I429-M433 WeakPolarHBondContact O-CG 3.48Å; I429-M433 PolarHBondContact O-N 3.49Å |
| 430 | Y | 97.4 | Very high | 96.8 | Very high | 37 Ų | 37 | 50.6 Ų | 50.6 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61 | -47.9 | 173.8 | 175.5 | -85.3 | 0 | 0 | 0 | 111.7 | F337 D338 L341 W366 Q426 E427 H428 L432 M433 K434 | F337-Y430 AromaticContact CD1-CD2 3.86Å; F337-Y430 HydrophobicContact CD1-CD2 3.86Å; F337-Y430 HydrophobicContact CD1-CE1 4.32Å; F337-Y430 AromaticContact CD1-CE2 3.49Å; F337-Y430 HydrophobicContact CD1-CE2 3.49Å; F337-Y430 VanDerWaalsContact CD1-CE2 3.49Å; F337-Y430 HydrophobicContact CD1-CG 4.44Å; F337-Y430 AromaticContact CD1-CZ 3.73Å; F337-Y430 AromaticContact CE1-CD2 3.73Å; F337-Y430 HydrophobicContact CE1-CD2 3.73Å; F337-Y430 AromaticContact CE1-CE2 3.85Å; F337-Y430 HydrophobicContact CE1-CE2 3.85Å; F337-Y430 HydrophobicContact CE1-CG 4.28Å; D338-Y430 PolarHBondContact OD1-OH 2.73Å; D338-Y430 PolarHBondContact OD2-OH 3.18Å; L341-Y430 HydrophobicContact CD1-CD2 4Å; L341-Y430 HydrophobicContact CD1-CE2 3.79Å; W366-Y430 HydrophobicContact CZ2-CD2 4.27Å; W366-Y430 AromaticContact NE1-CD2 3.63Å; Q426-Y430 VanDerWaalsContact O-CB 3.25Å; Q426-Y430 WeakPolarHBondContact O-CB 3.32Å; Q426-Y430 PolarHBondContact O-N 2.95Å; E427-Y430 PolarHBondContact O-N 3.39Å; H428-Y430 VanDerWaalsContact C-N 3.34Å; H428-Y430 PolarHBondContact O-N 3.1Å; Y430-L432 VanDerWaalsContact C-N 3.33Å; Y430-L432 PolarHBondContact O-N 2.88Å; Y430-M433 PolarHBondContact O-N 3.36Å; Y430-K434 HydrophobicContact CD1-CD 4.47Å; Y430-K434 HydrophobicContact CE1-CB 4.47Å; Y430-K434 HydrophobicContact CE1-CD 3.61Å; Y430-K434 WeakPolarHBondContact O-CB 3.4Å; Y430-K434 PolarHBondContact O-N 3.48Å; Y430-K434 PolarHBondContact OH-NZ 2.75Å |
| 431 | K | 96.2 | Very high | 96.8 | Very high | 115 Ų | 115 | 43.6 Ų | 43.6 | 50% | 0.5 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.6 | -37.6 | 179 | -73.6 | 174.4 | -176.5 | 165.4 | 0 | 112 | E427 H428 S435 | E427-K431 VanDerWaalsContact CD-NZ 3.32Å; E427-K431 HydrophobicContact CG-CD 4.27Å; E427-K431 WeakPolarHBondContact O-CG 3.25Å; E427-K431 PolarHBondContact O-N 3.01Å; E427-K431 WeakPolarHBondContact OE1-CE 3.33Å; E427-K431 IonicContact OE1-NZ 2.72Å; E427-K431 PolarHBondContact OE1-NZ 3.24Å; H428-K431 PolarHBondContact O-N 2.94Å; K431-S435 WeakPolarHBondContact O-CB 3.28Å; K431-S435 PolarHBondContact O-N 3.47Å; K431-S435 PolarHBondContact O-OG 2.7Å |
| 432 | L | 95.5 | Very high | 96.9 | Very high | 58 Ų | 58 | 45 Ų | 45 | 30% | 0.304 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.7 | -55.7 | 174.8 | 179.2 | 64.3 | 0 | 0 | 0 | 110.7 | H428 I429 Y430 K434 S435 D436 | H428-L432 WeakPolarHBondContact O-CB 3.39Å; H428-L432 PolarHBondContact O-N 3.18Å; I429-L432 HydrophobicContact CD1-CD2 4.39Å; I429-L432 PolarHBondContact O-N 3.07Å; Y430-L432 VanDerWaalsContact C-N 3.33Å; Y430-L432 PolarHBondContact O-N 2.88Å; L432-K434 VanDerWaalsContact C-N 3.32Å; L432-K434 PolarHBondContact O-N 2.93Å; L432-S435 PolarHBondContact O-N 2.87Å; L432-S435 PolarHBondContact O-OG 2.7Å; L432-D436 PolarHBondContact O-N 3.14Å |
| 433 | M | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 178.8 | -70 | -171.8 | -65.6 | 0 | 0 | 112.2 | F337 F350 N362 L363 W366 I429 Y430 S435 S437 Y438 | F337-M433 HydrophobicContact CE1-CB 3.86Å; F337-M433 HydrophobicContact CE1-CE 4.31Å; F337-M433 HydrophobicContact CE2-CB 4.42Å; F337-M433 HydrophobicContact CZ-CB 3.51Å; F337-M433 HydrophobicContact CZ-CE 4Å; F337-M433 HydrophobicContact CZ-SD 4.33Å; F350-M433 HydrophobicContact CE1-SD 4.34Å; N362-M433 HydrophobicContact CB-CG 3.95Å; N362-M433 HydrophobicContact CB-SD 3.77Å; L363-M433 HydrophobicContact CB-SD 3.92Å; L363-M433 HydrophobicContact CD1-CE 4.46Å; L363-M433 HydrophobicContact CD1-SD 4.43Å; W366-M433 HydrophobicContact CB-CE 3.87Å; W366-M433 HydrophobicContact CG-CE 4.1Å; I429-M433 HydrophobicContact CG2-CE 3.85Å; I429-M433 HydrophobicContact CG2-SD 4.48Å; I429-M433 WeakPolarHBondContact O-CG 3.48Å; I429-M433 PolarHBondContact O-N 3.49Å; Y430-M433 PolarHBondContact O-N 3.36Å; M433-S435 PolarHBondContact O-N 3.25Å; M433-S437 PolarHBondContact O-N 3.41Å; M433-Y438 VanDerWaalsContact O-CB 3.28Å; M433-Y438 WeakPolarHBondContact O-CB 3.46Å; M433-Y438 PolarHBondContact O-N 2.96Å |
| 434 | K | 97.5 | Very high | 96.9 | Very high | 92 Ų | 92 | 49.9 Ų | 49.9 | 40% | 0.4 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62 | -42.3 | 179.9 | -177 | 166.8 | -176.2 | 164.6 | 0 | 112.7 | F337 Y430 L432 | F337-K434 HydrophobicContact CB-CB 4.32Å; F337-K434 HydrophobicContact CB-CD 4.21Å; F337-K434 HydrophobicContact CB-CG 3.92Å; F337-K434 HydrophobicContact CD1-CB 3.61Å; F337-K434 HydrophobicContact CD1-CD 4.38Å; F337-K434 HydrophobicContact CD1-CG 4.12Å; F337-K434 HydrophobicContact CE1-CB 4.17Å; F337-K434 HydrophobicContact CG-CB 4.14Å; F337-K434 HydrophobicContact CG-CG 4.3Å; Y430-K434 HydrophobicContact CD1-CD 4.47Å; Y430-K434 HydrophobicContact CE1-CB 4.47Å; Y430-K434 HydrophobicContact CE1-CD 3.61Å; Y430-K434 WeakPolarHBondContact O-CB 3.4Å; Y430-K434 PolarHBondContact O-N 3.48Å; Y430-K434 PolarHBondContact OH-NZ 2.75Å; L432-K434 VanDerWaalsContact C-N 3.32Å; L432-K434 PolarHBondContact O-N 2.93Å |
| 435 | S | 96 | Very high | 96.9 | Very high | 90 Ų | 90 | 53 Ų | 53 | 63% | 0.629 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -84.4 | -28.5 | -174.8 | 59.6 | 0 | 0 | 0 | 0 | 113.3 | K431 L432 M433 | K431-S435 WeakPolarHBondContact O-CB 3.28Å; K431-S435 PolarHBondContact O-N 3.47Å; K431-S435 PolarHBondContact O-OG 2.7Å; L432-S435 PolarHBondContact O-N 2.87Å; L432-S435 PolarHBondContact O-OG 2.7Å; M433-S435 PolarHBondContact O-N 3.25Å |
| 436 | D | 96 | Very high | 96.7 | Very high | 66 Ų | 66 | 55.3 Ų | 55.3 | 35% | 0.353 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -74.6 | -178 | 179.2 | 46.5 | 0 | 0 | 0 | 113.2 | L432 Y438 A439 R440 | L432-D436 PolarHBondContact O-N 3.14Å; D436-Y438 PolarHBondContact O-N 3.06Å; D436-A439 PolarHBondContact O-N 3.46Å; D436-A439 VanDerWaalsContact O-N 3.13Å; D436-R440 PolarHBondContact O-N 2.88Å; D436-R440 IonicContact OD1-CZ 3.09Å; D436-R440 IonicContact OD1-NE 3.6Å; D436-R440 PolarHBondContact OD1-NE 3.36Å; D436-R440 IonicContact OD1-NH2 3.69Å; D436-R440 IonicContact OD2-CZ 3.42Å; D436-R440 IonicContact OD2-NE 2.76Å; D436-R440 PolarHBondContact OD2-NE 3.37Å; D436-R440 IonicContact OD2-NH2 2.66Å; D436-R440 PolarHBondContact OD2-NH2 3.49Å |
| 437 | S | 97.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.028 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.7 | -41 | -168.9 | -42 | 0 | 0 | 0 | 0 | 113.6 | M433 R440 F441 | M433-S437 PolarHBondContact O-N 3.41Å; S437-R440 PolarHBondContact O-N 3.18Å; S437-F441 WeakPolarHBondContact O-CB 3.34Å; S437-F441 PolarHBondContact O-N 2.94Å |
| 438 | Y | 98.3 | Very high | 96.6 | Very high | 18 Ų | 18 | 54.1 Ų | 54.1 | 7% | 0.071 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 176.7 | 172.3 | -113.7 | 0 | 0 | 0 | 111.9 | W333 G334 S336 F337 I340 M433 D436 R440 F441 L442 | W333-Y438 PolarHBondContact O-OH 2.85Å; G334-Y438 VanDerWaalsContact C-OH 3.28Å; G334-Y438 WeakPolarHBondContact CA-OH 3.5Å; G334-Y438 PolarHBondContact O-OH 3.22Å; S336-Y438 PolarHBondContact N-OH 3.08Å; S336-Y438 PolarHBondContact O-OH 3.17Å; F337-Y438 HydrophobicContact CB-CD1 3.94Å; F337-Y438 HydrophobicContact CB-CE1 4.12Å; F337-Y438 HydrophobicContact CB-CG 4.15Å; F337-Y438 HydrophobicContact CD2-CD1 4.19Å; F337-Y438 AromaticContact CD2-CD2 3.58Å; F337-Y438 HydrophobicContact CD2-CD2 3.58Å; F337-Y438 HydrophobicContact CD2-CE2 4.28Å; F337-Y438 AromaticContact CD2-CG 3.52Å; F337-Y438 HydrophobicContact CD2-CG 3.52Å; F337-Y438 HydrophobicContact CE2-CD2 4.3Å; F337-Y438 HydrophobicContact CE2-CG 4.27Å; F337-Y438 HydrophobicContact CG-CD1 4.38Å; F337-Y438 HydrophobicContact CG-CD2 4.48Å; F337-Y438 HydrophobicContact CG-CG 4.14Å; I340-Y438 HydrophobicContact CB-CE2 4.4Å; I340-Y438 HydrophobicContact CG2-CD2 3.87Å; I340-Y438 HydrophobicContact CG2-CE2 3.65Å; M433-Y438 VanDerWaalsContact O-CB 3.28Å; M433-Y438 WeakPolarHBondContact O-CB 3.46Å; M433-Y438 PolarHBondContact O-N 2.96Å; D436-Y438 PolarHBondContact O-N 3.06Å; Y438-R440 VanDerWaalsContact C-N 3.28Å; Y438-R440 PolarHBondContact O-N 3.21Å; Y438-F441 WeakPolarHBondContact O-CB 3.39Å; Y438-F441 PolarHBondContact O-N 3.25Å; Y438-L442 HydrophobicContact CD2-CG 4.36Å; Y438-L442 HydrophobicContact CE1-CD1 3.82Å; Y438-L442 HydrophobicContact CE1-CG 4.44Å; Y438-L442 HydrophobicContact CE2-CD1 4.07Å; Y438-L442 HydrophobicContact CE2-CD2 3.89Å; Y438-L442 HydrophobicContact CE2-CG 3.93Å; Y438-L442 WeakPolarHBondContact O-CG 3.48Å; Y438-L442 PolarHBondContact O-N 3.08Å |
| 439 | A | 97.4 | Very high | 96.5 | Very high | 30 Ų | 30 | 56.6 Ų | 56.6 | 25% | 0.248 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.7 | -35.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D436 R443 | D436-A439 PolarHBondContact O-N 3.46Å; D436-A439 VanDerWaalsContact O-N 3.13Å; A439-R443 PolarHBondContact O-NE 2.88Å |
| 440 | R | 97.9 | Very high | 96.4 | Very high | 82 Ų | 82 | 58.7 Ų | 58.7 | 31% | 0.309 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.3 | -42.8 | 172.2 | -69.2 | -167.7 | -78.2 | 130.4 | -0 | 112 | F353 E357 D436 S437 Y438 L442 R443 S444 | F353-R440 HydrophobicContact CE1-CB 4.45Å; F353-R440 HydrophobicContact CZ-CB 4.04Å; E357-R440 IonicContact OE1-NH1 3.21Å; E357-R440 PolarHBondContact OE1-NH1 3.26Å; E357-R440 VanDerWaalsContact OE1-NH1 3.09Å; E357-R440 IonicContact OE2-CZ 2.92Å; E357-R440 IonicContact OE2-NH1 2.87Å; E357-R440 PolarHBondContact OE2-NH1 3.19Å; E357-R440 IonicContact OE2-NH2 2.67Å; D436-R440 PolarHBondContact O-N 2.88Å; D436-R440 IonicContact OD1-CZ 3.09Å; D436-R440 IonicContact OD1-NE 3.6Å; D436-R440 PolarHBondContact OD1-NE 3.36Å; D436-R440 IonicContact OD1-NH2 3.69Å; D436-R440 IonicContact OD2-CZ 3.42Å; D436-R440 IonicContact OD2-NE 2.76Å; D436-R440 PolarHBondContact OD2-NE 3.37Å; D436-R440 IonicContact OD2-NH2 2.66Å; D436-R440 PolarHBondContact OD2-NH2 3.49Å; S437-R440 PolarHBondContact O-N 3.18Å; Y438-R440 VanDerWaalsContact C-N 3.28Å; Y438-R440 PolarHBondContact O-N 3.21Å; R440-L442 PolarHBondContact O-N 3.17Å; R440-R443 CarbonylContact O-C 3.38Å; R440-R443 PolarHBondContact O-N 3.21Å; R440-R443 VanDerWaalsContact O-N 3.08Å; R440-S444 PolarHBondContact O-N 3.49Å |
| 441 | F | 98.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.3 | -48.2 | 175.3 | 172.1 | -102.6 | 0 | 0 | 0 | 112.3 | I340 Q349 F350 F353 S437 Y438 R443 S444 Y447 | I340-F441 HydrophobicContact CD1-CD1 3.69Å; I340-F441 HydrophobicContact CD1-CE1 3.21Å; I340-F441 HydrophobicContact CD1-CZ 3.85Å; Q349-F441 HydrophobicContact CB-CE2 4.49Å; Q349-F441 HydrophobicContact CB-CZ 4.37Å; F350-F441 HydrophobicContact CD2-CB 3.74Å; F350-F441 HydrophobicContact CD2-CD1 4.14Å; F350-F441 AromaticContact CD2-CD2 3.93Å; F350-F441 HydrophobicContact CD2-CD2 3.93Å; F350-F441 AromaticContact CD2-CG 3.65Å; F350-F441 HydrophobicContact CD2-CG 3.65Å; F350-F441 HydrophobicContact CE2-CB 3.75Å; F350-F441 HydrophobicContact CE2-CG 4.19Å; F353-F441 HydrophobicContact CB-CD2 3.69Å; F353-F441 HydrophobicContact CB-CE2 4.16Å; F353-F441 HydrophobicContact CD1-CB 3.78Å; F353-F441 AromaticContact CD1-CD2 3.91Å; F353-F441 HydrophobicContact CD1-CD2 3.91Å; F353-F441 HydrophobicContact CD1-CG 4.32Å; F353-F441 HydrophobicContact CD2-CD2 4.3Å; F353-F441 HydrophobicContact CE1-CB 3.83Å; F353-F441 HydrophobicContact CG-CB 4.33Å; F353-F441 AromaticContact CG-CD2 3.69Å; F353-F441 HydrophobicContact CG-CD2 3.69Å; F353-F441 HydrophobicContact CZ-CB 4.42Å; S437-F441 WeakPolarHBondContact O-CB 3.34Å; S437-F441 PolarHBondContact O-N 2.94Å; Y438-F441 WeakPolarHBondContact O-CB 3.39Å; Y438-F441 PolarHBondContact O-N 3.25Å; F441-R443 PolarHBondContact O-N 3.34Å; F441-S444 VanDerWaalsContact O-CB 3.28Å; F441-S444 WeakPolarHBondContact O-CB 3.42Å; F441-S444 PolarHBondContact O-N 3.39Å; F441-S444 PolarHBondContact O-OG 3.02Å; F441-Y447 HydrophobicContact CD1-CD2 4.44Å; F441-Y447 AromaticContact CE1-CD2 3.6Å; F441-Y447 HydrophobicContact CE1-CD2 3.6Å; F441-Y447 HydrophobicContact CE1-CE2 4.43Å; F441-Y447 HydrophobicContact CE1-CG 4.09Å; F441-Y447 AromaticContact CZ-CD2 3.96Å; F441-Y447 HydrophobicContact CZ-CD2 3.96Å; F441-Y447 HydrophobicContact CZ-CG 4.4Å; F441-Y447 VanDerWaalsContact O-CB 3.27Å; F441-Y447 WeakPolarHBondContact O-CB 3.49Å |
| 442 | L | 97.5 | Very high | 95.8 | Very high | 36 Ų | 36 | 59 Ų | 59 | 19% | 0.188 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.9 | -24.5 | 179.2 | -66.1 | -174.9 | 0 | 0 | 0 | 113.8 | Y438 R440 Y447 Q448 | Y438-L442 HydrophobicContact CD2-CG 4.36Å; Y438-L442 HydrophobicContact CE1-CD1 3.82Å; Y438-L442 HydrophobicContact CE1-CG 4.44Å; Y438-L442 HydrophobicContact CE2-CD1 4.07Å; Y438-L442 HydrophobicContact CE2-CD2 3.89Å; Y438-L442 HydrophobicContact CE2-CG 3.93Å; Y438-L442 WeakPolarHBondContact O-CG 3.48Å; Y438-L442 PolarHBondContact O-N 3.08Å; R440-L442 PolarHBondContact O-N 3.17Å; L442-Y447 HydrophobicContact CB-CD1 4.5Å; L442-Y447 HydrophobicContact CD2-CD1 4.18Å; L442-Y447 HydrophobicContact CD2-CD2 4.19Å; L442-Y447 HydrophobicContact CD2-CE1 3.94Å; L442-Y447 HydrophobicContact CD2-CE2 3.96Å; L442-Y447 HydrophobicContact CD2-CG 4.29Å; L442-Y447 VanDerWaalsContact O-CD1 3.24Å; L442-Y447 WeakPolarHBondContact O-CD1 3.15Å; L442-Q448 PolarHBondContact O-NE2 3.03Å |
| 443 | R | 96.9 | Very high | 95 | Very high | 178 Ų | 178 | 59.1 Ų | 59.1 | 67% | 0.672 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -91.8 | -8.9 | 175.5 | -67.9 | -177.6 | -67 | -130.4 | -2.3 | 113.2 | A439 R440 F441 | A439-R443 PolarHBondContact O-NE 2.88Å; R440-R443 CarbonylContact O-C 3.38Å; R440-R443 PolarHBondContact O-N 3.21Å; R440-R443 VanDerWaalsContact O-N 3.08Å; F441-R443 PolarHBondContact O-N 3.34Å |
| 444 | S | 96.9 | Very high | 93.3 | Very high | 19 Ų | 19 | 67.6 Ų | 67.6 | 13% | 0.133 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -72.8 | 151.1 | -177.3 | 75.9 | 0 | 0 | 0 | 0 | 111.7 | R440 F441 A446 Y447 Q448 | R440-S444 PolarHBondContact O-N 3.49Å; F441-S444 VanDerWaalsContact O-CB 3.28Å; F441-S444 WeakPolarHBondContact O-CB 3.42Å; F441-S444 PolarHBondContact O-N 3.39Å; F441-S444 PolarHBondContact O-OG 3.02Å; S444-A446 PolarHBondContact O-N 3.43Å; S444-Y447 PolarHBondContact O-N 2.91Å; S444-Y447 PolarHBondContact OG-N 3.14Å; S444-Q448 WeakPolarHBondContact O-CG 3.34Å; S444-Q448 PolarHBondContact O-N 3.03Å; S444-Q448 VanDerWaalsContact O-N 3.1Å |
| 445 | N | 95.1 | Very high | 91.3 | Very high | 126 Ų | 126 | 71.3 Ų | 71.3 | 67% | 0.674 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.3 | -33.9 | 172.8 | -66.3 | -19.4 | 0 | 0 | 0 | 111.4 | Y447 Q448 D449 | N445-Y447 VanDerWaalsContact C-N 3.32Å; N445-Y447 PolarHBondContact O-N 2.94Å; N445-Q448 PolarHBondContact O-N 2.96Å; N445-D449 VanDerWaalsContact O-CB 3.26Å; N445-D449 WeakPolarHBondContact O-CB 3.31Å; N445-D449 PolarHBondContact O-N 2.82Å |
| 446 | A | 92.9 | Very high | 88.4 | Confident | 49 Ų | 49 | 76.1 Ų | 76.1 | 41% | 0.405 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57 | -43 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S444 L450 | S444-A446 PolarHBondContact O-N 3.43Å; A446-L450 WeakPolarHBondContact O-CD1 3.35Å; A446-L450 WeakPolarHBondContact O-CG 3.4Å |
| 447 | Y | 96.3 | Very high | 85.5 | Confident | 13 Ų | 13 | 78.4 Ų | 78.4 | 5% | 0.051 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -76.4 | -43 | 175.7 | 175.7 | -101.6 | 0 | 0 | 0 | 112.2 | V330 W333 F441 L442 S444 N445 D449 L450 L451 | V330-Y447 HydrophobicContact CG1-CD2 4.19Å; V330-Y447 HydrophobicContact CG1-CE2 3.71Å; V330-Y447 PolarHBondContact O-OH 3.25Å; W333-Y447 HydrophobicContact CB-CE2 4.41Å; W333-Y447 HydrophobicContact CE3-CE2 4.39Å; F441-Y447 HydrophobicContact CD1-CD2 4.44Å; F441-Y447 AromaticContact CE1-CD2 3.6Å; F441-Y447 HydrophobicContact CE1-CD2 3.6Å; F441-Y447 HydrophobicContact CE1-CE2 4.43Å; F441-Y447 HydrophobicContact CE1-CG 4.09Å; F441-Y447 AromaticContact CZ-CD2 3.96Å; F441-Y447 HydrophobicContact CZ-CD2 3.96Å; F441-Y447 HydrophobicContact CZ-CG 4.4Å; F441-Y447 VanDerWaalsContact O-CB 3.27Å; F441-Y447 WeakPolarHBondContact O-CB 3.49Å; L442-Y447 HydrophobicContact CB-CD1 4.5Å; L442-Y447 HydrophobicContact CD2-CD1 4.18Å; L442-Y447 HydrophobicContact CD2-CD2 4.19Å; L442-Y447 HydrophobicContact CD2-CE1 3.94Å; L442-Y447 HydrophobicContact CD2-CE2 3.96Å; L442-Y447 HydrophobicContact CD2-CG 4.29Å; L442-Y447 VanDerWaalsContact O-CD1 3.24Å; L442-Y447 WeakPolarHBondContact O-CD1 3.15Å; S444-Y447 PolarHBondContact O-N 2.91Å; S444-Y447 PolarHBondContact OG-N 3.14Å; N445-Y447 VanDerWaalsContact C-N 3.32Å; N445-Y447 PolarHBondContact O-N 2.94Å; Y447-D449 VanDerWaalsContact C-N 3.33Å; Y447-D449 PolarHBondContact O-N 2.84Å; Y447-L450 PolarHBondContact O-N 3.13Å; Y447-L451 HydrophobicContact CE1-CD2 4.04Å; Y447-L451 WeakPolarHBondContact O-CB 3.13Å; Y447-L451 PolarHBondContact O-N 3.24Å |
| 448 | Q | 96.3 | Very high | 82.6 | Confident | 70 Ų | 70 | 87.3 Ų | 87.3 | 33% | 0.327 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | -178 | -64.8 | -61.5 | -37.5 | 0 | 0 | 112.1 | L442 S444 N445 L451 L452 | L442-Q448 PolarHBondContact O-NE2 3.03Å; S444-Q448 WeakPolarHBondContact O-CG 3.34Å; S444-Q448 PolarHBondContact O-N 3.03Å; S444-Q448 VanDerWaalsContact O-N 3.1Å; N445-Q448 PolarHBondContact O-N 2.96Å; Q448-L451 PolarHBondContact O-N 2.79Å; Q448-L452 WeakPolarHBondContact O-CB 3.12Å; Q448-L452 VanDerWaalsContact O-CG 3.26Å; Q448-L452 WeakPolarHBondContact O-CG 3.46Å; Q448-L452 PolarHBondContact O-N 3.44Å |
| 449 | D | 93.9 | Very high | 79.5 | Confident | 105 Ų | 105 | 90.4 Ų | 90.4 | 56% | 0.561 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.8 | -40.5 | 176.6 | -68.3 | -21.2 | 0 | 0 | 0 | 111.3 | N445 Y447 L452 A453 | N445-D449 VanDerWaalsContact O-CB 3.26Å; N445-D449 WeakPolarHBondContact O-CB 3.31Å; N445-D449 PolarHBondContact O-N 2.82Å; Y447-D449 VanDerWaalsContact C-N 3.33Å; Y447-D449 PolarHBondContact O-N 2.84Å; D449-L452 PolarHBondContact O-N 3.24Å; D449-A453 WeakPolarHBondContact O-CB 3.41Å; D449-A453 PolarHBondContact O-N 2.74Å |
| 450 | L | 93.4 | Very high | 76.6 | Confident | 44 Ų | 44 | 98.5 Ų | 98.5 | 23% | 0.23 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 174.3 | -70.9 | 172.5 | 0 | 0 | 0 | 112.2 | V330 W333 Q349 A446 Y447 L452 | V330-L450 HydrophobicContact CG1-CB 4.03Å; V330-L450 HydrophobicContact CG2-CB 4.4Å; W333-L450 HydrophobicContact CZ3-CD1 4.2Å; Q349-L450 HydrophobicContact CB-CD1 4.38Å; Q349-L450 HydrophobicContact CG-CD1 3.85Å; A446-L450 WeakPolarHBondContact O-CD1 3.35Å; A446-L450 WeakPolarHBondContact O-CG 3.4Å; Y447-L450 PolarHBondContact O-N 3.13Å; L450-L452 VanDerWaalsContact C-N 3.34Å |
| 451 | L | 93 | Very high | 73.8 | Confident | 37 Ų | 37 | 103.1 Ų | 103.1 | 19% | 0.194 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -70.4 | -32.1 | 178.2 | -172.8 | 64.9 | 0 | 0 | 0 | 112.1 | Q327 V330 K331 Y447 Q448 | Q327-L451 WeakPolarHBondContact CG-O 3.42Å; Q327-L451 PolarHBondContact NE2-O 3.19Å; V330-L451 HydrophobicContact CG1-CB 4.27Å; V330-L451 HydrophobicContact CG1-CD1 4.27Å; K331-L451 HydrophobicContact CB-CD1 3.9Å; Y447-L451 HydrophobicContact CE1-CD2 4.04Å; Y447-L451 WeakPolarHBondContact O-CB 3.13Å; Y447-L451 PolarHBondContact O-N 3.24Å; Q448-L451 PolarHBondContact O-N 2.79Å |
| 452 | L | 89.4 | Confident | 70.8 | Confident | 120 Ų | 120 | 106.3 Ų | 106.3 | 63% | 0.628 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -91 | -13.5 | -179.6 | -67.5 | 174.3 | 0 | 0 | 0 | 113.7 | Q448 D449 L450 K454 | Q448-L452 WeakPolarHBondContact O-CB 3.12Å; Q448-L452 VanDerWaalsContact O-CG 3.26Å; Q448-L452 WeakPolarHBondContact O-CG 3.46Å; Q448-L452 PolarHBondContact O-N 3.44Å; D449-L452 PolarHBondContact O-N 3.24Å; L450-L452 VanDerWaalsContact C-N 3.34Å; L452-K454 VanDerWaalsContact C-N 3.31Å; L452-K454 PolarHBondContact O-N 2.95Å |
| 453 | A | 78.3 | Confident | 68 | Low | 62 Ų | 62 | 116.7 Ų | 116.7 | 51% | 0.512 | 59% | 0.589 | S | S | . | * | trans | -61.7 | 89.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | D449 K455 | D449-A453 WeakPolarHBondContact O-CB 3.41Å; D449-A453 PolarHBondContact O-N 2.74Å; A453-K455 PolarHBondContact O-N 3.34Å | ||
| 454 | K | 60.8 | Low | 65.2 | Low | 177 Ų | 177 | 115.9 Ų | 115.9 | 77% | 0.77 | 59% | 0.586 | S | S | * | * | trans | -66.5 | 132.4 | 167.3 | -70.8 | -171.2 | 177 | -175.1 | 0 | 108 | L452 K456 | L452-K454 VanDerWaalsContact C-N 3.31Å; L452-K454 PolarHBondContact O-N 2.95Å; K454-K456 PolarHBondContact O-N 3.27Å | ||
| 455 | K | 55.3 | Low | 62.6 | Low | 170 Ų | 170 | 119.2 Ų | 119.2 | 74% | 0.739 | 61% | 0.606 | S | S | * | * | trans | -50.7 | 113.9 | 156.1 | -93.9 | -174.2 | 173.6 | 179.8 | 0 | 106.3 | A453 P457 | A453-K455 PolarHBondContact O-N 3.34Å; K455-P457 WeakPolarHBondContact O-CD 3.39Å | ||
| 456 | K | 35.4 | Very low | 60.3 | Low | 191 Ų | 191 | 118.4 Ų | 118.4 | 83% | 0.83 | 61% | 0.61 | S | S | * | * | trans | -56.1 | 124.7 | 155.8 | -85.6 | -177.6 | 177 | 176.1 | 0 | 104.4 | K454 E458 | K454-K456 PolarHBondContact O-N 3.27Å; K456-E458 PolarHBondContact O-N 3.3Å | ||
| 457 | P | 36.1 | Very low | 58 | Low | 115 Ų | 115 | 122.4 Ų | 122.4 | 75% | 0.747 | 62% | 0.624 | S | S | * | * | trans | -54.8 | 122.8 | 165.4 | 24.1 | -29.3 | 0 | 0 | 0 | 104.9 | K455 S459 | K455-P457 WeakPolarHBondContact O-CD 3.39Å; P457-S459 PolarHBondContact O-N 2.89Å | ||
| 458 | E | 36.2 | Very low | 55.6 | Low | 190 Ų | 190 | 126.3 Ų | 126.3 | 89% | 0.888 | 64% | 0.643 | S | S | * | * | trans | -54.7 | 105.9 | 161 | -77.9 | -171 | 149.6 | 0 | 0 | 104.8 | K456 E460 | K456-E458 PolarHBondContact O-N 3.3Å; E458-E460 PolarHBondContact O-N 3.22Å | ||
| 459 | S | 31.9 | Very low | 53.1 | Low | 84 Ų | 84 | 130.3 Ų | 130.3 | 59% | 0.587 | 66% | 0.659 | S | S | * | * | trans | -48.4 | 132.2 | 167.3 | 49.4 | 0 | 0 | 0 | 0 | 106.9 | P457 Q461 | P457-S459 PolarHBondContact O-N 2.89Å; S459-Q461 PolarHBondContact O-N 3.31Å | ||
| 460 | E | 37.5 | Very low | 50.8 | Low | 199 Ų | 199 | 132.4 Ų | 132.4 | 93% | 0.93 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -62.2 | 54.8 | 173.3 | -68.5 | -175.4 | 130.1 | 0 | 0 | 112.7 | E458 | E458-E460 PolarHBondContact O-N 3.22Š|
| 461 | Q | 38.6 | Very low | 48.7 | Very low | 180 Ų | 180 | 134.9 Ų | 134.9 | 84% | 0.841 | 68% | 0.68 | S | S | * | * | trans | -126.8 | 65.3 | 173.1 | -82.5 | 171.1 | -17.9 | 0 | 0 | 107.2 | S459 | S459-Q461 PolarHBondContact O-N 3.31Š| ||
| 462 | G | 35 | Very low | 46.5 | Very low | 68 Ų | 68 | 141.2 Ų | 141.2 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | trans | -168.6 | -26.3 | 180 | 0 | 0 | 0 | 0 | 0 | 117 | R464 | G462-R464 PolarHBondContact O-N 2.65Š| ||
| 463 | R | 39.2 | Very low | 44.4 | Very low | 253 Ų | 253 | 139.6 Ų | 139.6 | 96% | 0.955 | 70% | 0.701 | S | S | * | * | trans | -82.1 | 63.9 | 174 | -90.1 | -177.7 | 172 | 167.9 | -1.7 | 111.9 | ||||
| 464 | R | 38.2 | Very low | 42.9 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 61% | 0.611 | 70% | 0.702 | S | S | * | * | trans | -84.9 | 104.1 | 152.1 | -103.1 | -177.1 | 176.3 | 143.4 | 6.6 | 107.2 | G462 E468 | G462-R464 PolarHBondContact O-N 2.65Å; R464-E468 IonicContact NE-OE2 3.29Å | ||
| 465 | T | 42.5 | Very low | 42.2 | Very low | 89 Ų | 89 | 135.6 Ų | 135.6 | 55% | 0.546 | 70% | 0.698 | S | S | . | * | trans | -53.3 | 141.9 | 175.2 | 52 | 0 | 0 | 0 | 0 | 110.4 | L467 E468 | T465-L467 PolarHBondContact O-N 3.45Å; T465-E468 PolarHBondContact O-N 3.16Å | ||
| 466 | S | 46.5 | Very low | 41.7 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -55.8 | -13.8 | -179.9 | -162.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 467 | L | 45.1 | Very low | 42.1 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 70% | 0.696 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -76.2 | -32.7 | -179.4 | -159.8 | 65.5 | 0 | 0 | 0 | 113.6 | T465 T471 | T465-L467 PolarHBondContact O-N 3.45Å; L467-T471 PolarHBondContact O-N 3.26Å; L467-T471 PolarHBondContact O-OG1 2.78Å |
| 468 | E | 44.8 | Very low | 42.2 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 44% | 0.444 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -78.2 | -24.7 | 178.9 | -73.2 | -167 | 149 | 0 | 0 | 113.6 | R464 T465 T471 | R464-E468 IonicContact NE-OE2 3.29Å; T465-E468 PolarHBondContact O-N 3.16Å; E468-T471 PolarHBondContact O-OG1 2.88Å |
| 469 | K | 44.6 | Very low | 42.2 | Very low | 154 Ų | 154 | 131 Ų | 131 | 67% | 0.67 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -73.5 | -30.4 | 174.2 | -75.9 | -178.9 | 179.5 | 174.9 | 0 | 111.6 | S473 | K469-S473 PolarHBondContact O-N 3.35Å |
| 470 | F | 44.6 | Very low | 42.1 | Very low | 149 Ų | 149 | 130.2 Ų | 130.2 | 65% | 0.654 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -72.9 | -42 | 178.7 | -157.8 | -99.1 | 0 | 0 | 0 | 112 | R472 S473 V474 | F470-R472 PolarHBondContact O-N 3.4Å; F470-S473 PolarHBondContact O-N 3.15Å; F470-V474 HydrophobicContact CD1-CG2 4.35Å; F470-V474 HydrophobicContact CE1-CG2 4.14Å; F470-V474 PolarHBondContact O-N 2.96Å |
| 471 | T | 50.1 | Low | 42 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 58% | 0.583 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -69.6 | -29.8 | -178.5 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | L467 E468 | L467-T471 PolarHBondContact O-N 3.26Å; L467-T471 PolarHBondContact O-OG1 2.78Å; E468-T471 PolarHBondContact O-OG1 2.88Å |
| 472 | R | 47.4 | Very low | 41.8 | Very low | 170 Ų | 170 | 133.5 Ų | 133.5 | 64% | 0.642 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -78.1 | -24 | 173.9 | -77.3 | -174.2 | -162.5 | -174.5 | 4.3 | 114.7 | F470 | F470-R472 PolarHBondContact O-N 3.4Å |
| 473 | S | 43.7 | Very low | 41.7 | Very low | 87 Ų | 87 | 137.8 Ų | 137.8 | 61% | 0.608 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -78.2 | -38.2 | -179.9 | -170.1 | 0 | 0 | 0 | 0 | 111.7 | K469 F470 | K469-S473 PolarHBondContact O-N 3.35Å; F470-S473 PolarHBondContact O-N 3.15Å |
| 474 | V | 48.3 | Very low | 41.4 | Very low | 89 Ų | 89 | 132 Ų | 132 | 54% | 0.539 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -76.5 | -28.9 | -178.3 | -178.8 | 0 | 0 | 0 | 0 | 112.5 | F470 K476 | F470-V474 HydrophobicContact CD1-CG2 4.35Å; F470-V474 HydrophobicContact CE1-CG2 4.14Å; F470-V474 PolarHBondContact O-N 2.96Å; V474-K476 VanDerWaalsContact C-N 3.33Å; V474-K476 PolarHBondContact O-N 3.47Å |
| 475 | G | 45.6 | Very low | 41.1 | Very low | 66 Ų | 66 | 127.8 Ų | 127.8 | 68% | 0.68 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -3.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 476 | K | 45.4 | Very low | 40.6 | Very low | 196 Ų | 196 | 131.4 Ų | 131.4 | 85% | 0.852 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | 0.2 | -177.1 | -81.3 | -172.7 | 175.6 | -175.3 | 0 | 115.2 | V474 | V474-K476 VanDerWaalsContact C-N 3.33Å; V474-K476 PolarHBondContact O-N 3.47Å |
| 477 | S | 42.6 | Very low | 39.8 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -115.3 | 4.9 | -172.5 | -165.3 | 0 | 0 | 0 | 0 | 116.3 | ||
| 478 | L | 38 | Very low | 39.3 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -134.1 | 128.1 | 179 | -83.4 | 158.6 | 0 | 0 | 0 | 112.2 | ||
| 479 | A | 36 | Very low | 38.8 | Very low | 107 Ų | 107 | 135 Ų | 135 | 88% | 0.884 | 75% | 0.747 | S | S | * | * | trans | 88.9 | 57.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 480 | G | 31.5 | Very low | 38.5 | Very low | 69 Ų | 69 | 136.6 Ų | 136.6 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -108.3 | 119.6 | 142.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 481 | K | 35.1 | Very low | 38.2 | Very low | 211 Ų | 211 | 136 Ų | 136 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | trans | 82.6 | 140.2 | 168.2 | -54.1 | 171.9 | -179.8 | 177.2 | 0 | 116.5 | ||||
| 482 | R | 34.5 | Very low | 37.5 | Very low | 236 Ų | 236 | 138.2 Ų | 138.2 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | cis | 177 | 142 | -25.5 | -138.7 | -174.4 | -173.9 | -179.1 | 0.8 | 103.2 | ||||
| 483 | L | 31.7 | Very low | 37 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | 169.4 | 105 | 146 | -112 | 91.9 | 0 | 0 | 0 | 108.1 | ||||
| 484 | T | 34.5 | Very low | 36.6 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | 63.5 | 122 | 99.1 | 59.3 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 485 | G | 30 | Very low | 35.9 | Very low | 75 Ų | 75 | 142.4 Ų | 142.4 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | trans | 144.4 | 75.4 | 153.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 486 | L | 32.6 | Very low | 35.2 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | trans | 21.5 | 148.1 | 134.8 | -104.6 | 132.3 | 0 | 0 | 0 | 123.9 | ||||
| 487 | M | 30.7 | Very low | 34.5 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 72% | 0.719 | 84% | 0.841 | S | S | * | * | trans | 87.2 | 139.9 | 160.4 | -61.1 | 175.3 | 82.8 | 0 | 0 | 116.6 | ||||
| 488 | Q | 33.2 | Very low | 33.9 | Very low | 154 Ų | 154 | 147.3 Ų | 147.3 | 72% | 0.72 | 85% | 0.851 | S | S | * | * | cis | -169.9 | 154.2 | -1.8 | -119.1 | 177.7 | -9.5 | 0 | 0 | 107.9 | ||||
| 489 | S | 35.8 | Very low | 33.5 | Very low | 111 Ų | 111 | 146 Ų | 146 | 78% | 0.776 | 85% | 0.851 | S | S | * | * | trans | 58.8 | 137.4 | 152.7 | 68.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 490 | S | 36.9 | Very low | 33.3 | Very low | 189 Ų | 189 | 149.5 Ų | 149.5 | 100% | 1.322 | 85% | 0.848 | S | S | * | * | cis | -145.8 | 0 | 15.1 | -55.8 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 490 of 490 residues in 546.6 ms
(Link to these results)