| 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 | 40.2 | Very low | 43.2 | Very low | 232 Ų | 232 | 139.3 Ų | 139.3 | 100% | 1.143 | 71% | 0.705 | S | S | * | * | 0 | 19.2 | 0 | -145.1 | -174.8 | -64.2 | 0 | 0 | 111.4 | |||||
| 2 | E | 38.2 | Very low | 43.8 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | trans | -114.3 | -8.1 | 176.3 | -76.7 | 172.8 | 141.6 | 0 | 0 | 112.3 | ||||
| 3 | E | 39.3 | Very low | 44.9 | Very low | 178 Ų | 178 | 131.8 Ų | 131.8 | 83% | 0.832 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -84.1 | -22.9 | -179.9 | -69.7 | 178.8 | 158.5 | 0 | 0 | 113.5 | M5 | E3-M5 VanDerWaalsContact C-N 3.3Å; E3-M5 PolarHBondContact O-N 2.89Å |
| 4 | D | 40.8 | Very low | 46.1 | Very low | 136 Ų | 136 | 129.1 Ų | 129.1 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -78 | -10.9 | 176.5 | -83.2 | -50.5 | 0 | 0 | 0 | 113.8 | ||
| 5 | M | 39.8 | Very low | 47.1 | Very low | 145 Ų | 145 | 128 Ų | 128 | 71% | 0.714 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -86.5 | -20.8 | 179.8 | -105.2 | 178 | 54 | 0 | 0 | 113.5 | E3 | E3-M5 VanDerWaalsContact C-N 3.3Å; E3-M5 PolarHBondContact O-N 2.89Å |
| 6 | D | 46.7 | Very low | 48.3 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 56% | 0.561 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -87.5 | -34.2 | -177 | -120.7 | -41 | 0 | 0 | 0 | 112.7 | G8 Q9 T10 | D6-G8 VanDerWaalsContact C-N 3.33Å; D6-G8 PolarHBondContact O-N 3.04Å; D6-Q9 PolarHBondContact O-N 3.45Å; D6-T10 PolarHBondContact O-N 2.64Å; D6-T10 VanDerWaalsContact O-N 3.12Å; D6-T10 PolarHBondContact O-OG1 3.13Å |
| 7 | E | 45.5 | Very low | 49.2 | Very low | 143 Ų | 143 | 125.1 Ų | 125.1 | 67% | 0.668 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65.6 | -36.1 | 174.4 | -73.5 | -167.6 | 151 | 0 | 0 | 111.9 | Q9 T10 Q11 | E7-Q9 PolarHBondContact O-N 2.94Å; E7-T10 PolarHBondContact O-N 3.02Å; E7-Q11 WeakPolarHBondContact O-CB 3.4Å; E7-Q11 PolarHBondContact O-N 3.11Å |
| 8 | G | 42 | Very low | 49.9 | Very low | 34 Ų | 34 | 121.9 Ų | 121.9 | 35% | 0.351 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -70 | -24.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | D6 K12 | D6-G8 VanDerWaalsContact C-N 3.33Å; D6-G8 PolarHBondContact O-N 3.04Å; G8-K12 WeakPolarHBondContact O-CD 3.29Å; G8-K12 WeakPolarHBondContact O-CG 2.95Å |
| 9 | Q | 46.9 | Very low | 50.7 | Low | 135 Ų | 135 | 121.1 Ų | 121.1 | 63% | 0.631 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -84.2 | -37.5 | 173.2 | -78 | -173.8 | -66.3 | 0 | 0 | 111.9 | D6 E7 K12 G13 | D6-Q9 PolarHBondContact O-N 3.45Å; E7-Q9 PolarHBondContact O-N 2.94Å; Q9-K12 PolarHBondContact O-N 3.16Å; Q9-G13 PolarHBondContact O-N 2.89Å; Q9-G13 VanDerWaalsContact O-N 3.14Å |
| 10 | T | 48.9 | Very low | 51.4 | Low | 97 Ų | 97 | 123.2 Ų | 123.2 | 60% | 0.595 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.5 | -38.2 | 178.9 | -49.2 | 0 | 0 | 0 | 0 | 112 | D6 E7 G13 C14 | D6-T10 PolarHBondContact O-N 2.64Å; D6-T10 VanDerWaalsContact O-N 3.12Å; D6-T10 PolarHBondContact O-OG1 3.13Å; E7-T10 PolarHBondContact O-N 3.02Å; T10-G13 PolarHBondContact O-N 2.65Å; T10-C14 PolarHBondContact O-N 2.82Å |
| 11 | Q | 46.7 | Very low | 52 | Low | 152 Ų | 152 | 121.2 Ų | 121.2 | 71% | 0.71 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.1 | -34.4 | 175.7 | -166.8 | 177.7 | 4.8 | 0 | 0 | 112.8 | E7 L15 | E7-Q11 WeakPolarHBondContact O-CB 3.4Å; E7-Q11 PolarHBondContact O-N 3.11Å; Q11-L15 PolarHBondContact O-N 3.48Å; Q11-L15 VanDerWaalsContact O-N 3.16Å |
| 12 | K | 50.4 | Low | 53.1 | Low | 143 Ų | 143 | 114.4 Ų | 114.4 | 62% | 0.622 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.9 | -39.6 | 173.5 | -76.9 | 176.6 | -178 | 177 | 0 | 112 | G8 Q9 L15 E16 | G8-K12 WeakPolarHBondContact O-CD 3.29Å; G8-K12 WeakPolarHBondContact O-CG 2.95Å; Q9-K12 PolarHBondContact O-N 3.16Å; K12-L15 PolarHBondContact O-N 2.99Å; K12-E16 WeakPolarHBondContact O-CB 3.49Å; K12-E16 PolarHBondContact O-N 2.89Å |
| 13 | G | 58.5 | Low | 54.1 | Low | 39 Ų | 39 | 108.9 Ų | 108.9 | 40% | 0.402 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.3 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q9 T10 C17 | Q9-G13 PolarHBondContact O-N 2.89Å; Q9-G13 VanDerWaalsContact O-N 3.14Å; T10-G13 PolarHBondContact O-N 2.65Å; G13-C17 VanDerWaalsContact O-CB 3.29Å; G13-C17 WeakPolarHBondContact O-CB 3.32Å; G13-C17 PolarHBondContact O-N 3.05Å |
| 14 | C | 61.9 | Low | 55.3 | Low | 94 Ų | 94 | 100.7 Ų | 100.7 | 64% | 0.635 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.2 | -38.5 | 174.9 | -108 | 0 | 0 | 0 | 0 | 112.6 | T10 C17 C18 | T10-C14 PolarHBondContact O-N 2.82Å; C14-C17 PolarHBondContact O-N 2.9Å; C14-C18 VanDerWaalsContact O-CB 3.29Å; C14-C18 WeakPolarHBondContact O-CB 3.33Å; C14-C18 PolarHBondContact O-N 3.29Å |
| 15 | L | 60.3 | Low | 56.8 | Low | 112 Ų | 112 | 96.8 Ų | 96.8 | 59% | 0.586 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.7 | -42.3 | 176.9 | -164.3 | 91.6 | 0 | 0 | 0 | 111.6 | Q11 K12 C17 C18 I19 | Q11-L15 PolarHBondContact O-N 3.48Å; Q11-L15 VanDerWaalsContact O-N 3.16Å; K12-L15 PolarHBondContact O-N 2.99Å; L15-C17 VanDerWaalsContact C-N 3.35Å; L15-C18 PolarHBondContact O-N 3.01Å; L15-I19 HydrophobicContact CD2-CD1 3.94Å; L15-I19 HydrophobicContact CG-CD1 3.95Å; L15-I19 WeakPolarHBondContact O-CB 3.3Å; L15-I19 VanDerWaalsContact O-CG1 3.23Å; L15-I19 WeakPolarHBondContact O-CG1 3.46Å; L15-I19 PolarHBondContact O-N 2.99Å |
| 16 | E | 66.7 | Low | 58.9 | Low | 131 Ų | 131 | 90.5 Ų | 90.5 | 61% | 0.612 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.6 | -37 | 174.1 | -92.9 | 178.4 | 132.8 | 0 | 0 | 112.3 | K12 K20 | K12-E16 WeakPolarHBondContact O-CB 3.49Å; K12-E16 PolarHBondContact O-N 2.89Å; E16-K20 VanDerWaalsContact O-CB 3.3Å; E16-K20 WeakPolarHBondContact O-CB 3.27Å; E16-K20 WeakPolarHBondContact O-CG 3.42Å; E16-K20 PolarHBondContact O-N 2.99Å |
| 17 | C | 63.3 | Low | 60.7 | Low | 76 Ų | 76 | 90.5 Ų | 90.5 | 51% | 0.514 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 172.2 | -164.5 | 0 | 0 | 0 | 0 | 110.9 | G13 C14 L15 K20 C21 | G13-C17 VanDerWaalsContact O-CB 3.29Å; G13-C17 WeakPolarHBondContact O-CB 3.32Å; G13-C17 PolarHBondContact O-N 3.05Å; C14-C17 PolarHBondContact O-N 2.9Å; L15-C17 VanDerWaalsContact C-N 3.35Å; C17-K20 PolarHBondContact O-N 3.03Å; C17-C21 WeakPolarHBondContact O-CB 3.41Å; C17-C21 PolarHBondContact O-N 3.42Å; C17-C21 PolarHBondContact O-SG 3.08Å |
| 18 | C | 62.4 | Low | 62.7 | Low | 67 Ų | 67 | 87.2 Ų | 87.2 | 45% | 0.453 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 177.6 | -164.5 | 0 | 0 | 0 | 0 | 112.1 | C14 L15 C21 L22 | C14-C18 VanDerWaalsContact O-CB 3.29Å; C14-C18 WeakPolarHBondContact O-CB 3.33Å; C14-C18 PolarHBondContact O-N 3.29Å; L15-C18 PolarHBondContact O-N 3.01Å; C18-C21 PolarHBondContact O-N 3.13Å; C18-L22 WeakPolarHBondContact O-CB 3.23Å; C18-L22 WeakPolarHBondContact O-CD1 3.29Å; C18-L22 PolarHBondContact O-N 3.43Å |
| 19 | I | 65.3 | Low | 64.9 | Low | 107 Ų | 107 | 85.8 Ų | 85.8 | 55% | 0.549 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.3 | -38.8 | 175.4 | -69.6 | 166.7 | 0 | 0 | 0 | 110.9 | L15 G23 | L15-I19 HydrophobicContact CD2-CD1 3.94Å; L15-I19 HydrophobicContact CG-CD1 3.95Å; L15-I19 WeakPolarHBondContact O-CB 3.3Å; L15-I19 VanDerWaalsContact O-CG1 3.23Å; L15-I19 WeakPolarHBondContact O-CG1 3.46Å; L15-I19 PolarHBondContact O-N 2.99Å; I19-G23 PolarHBondContact O-N 3.17Å |
| 20 | K | 65 | Low | 67 | Low | 163 Ų | 163 | 82.1 Ų | 82.1 | 71% | 0.709 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.4 | -39.4 | 171.4 | -83 | -178.8 | 174.4 | 179.9 | 0 | 112.2 | E16 C17 G24 | E16-K20 VanDerWaalsContact O-CB 3.3Å; E16-K20 WeakPolarHBondContact O-CB 3.27Å; E16-K20 WeakPolarHBondContact O-CG 3.42Å; E16-K20 PolarHBondContact O-N 2.99Å; C17-K20 PolarHBondContact O-N 3.03Å; K20-G24 PolarHBondContact O-N 2.91Å |
| 21 | C | 64.1 | Low | 69 | Low | 81 Ų | 81 | 82.3 Ų | 82.3 | 55% | 0.547 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.4 | -44 | 176.1 | -74.4 | 0 | 0 | 0 | 0 | 112.2 | C17 C18 G24 | C17-C21 WeakPolarHBondContact O-CB 3.41Å; C17-C21 PolarHBondContact O-N 3.42Å; C17-C21 PolarHBondContact O-SG 3.08Å; C18-C21 PolarHBondContact O-N 3.13Å; C21-G24 PolarHBondContact O-N 3.34Å; C21-G24 VanDerWaalsContact O-N 3.17Å |
| 22 | L | 61.8 | Low | 71.3 | Confident | 89 Ų | 89 | 75 Ų | 75 | 47% | 0.466 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 174.5 | -99.6 | 95 | 0 | 0 | 0 | 111.3 | C18 G24 I25 Y27 | C18-L22 WeakPolarHBondContact O-CB 3.23Å; C18-L22 WeakPolarHBondContact O-CD1 3.29Å; C18-L22 PolarHBondContact O-N 3.43Å; L22-G24 PolarHBondContact O-N 3Å; L22-I25 PolarHBondContact O-N 3.28Å; L22-Y27 VanDerWaalsContact O-CE2 3.27Å; L22-Y27 WeakPolarHBondContact O-CE2 2.79Å; L22-Y27 PolarHBondContact O-OH 2.96Å; L22-Y27 VanDerWaalsContact O-OH 3.05Å |
| 23 | G | 60.7 | Low | 73.4 | Confident | 59 Ų | 59 | 68.5 Ų | 68.5 | 61% | 0.608 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.4 | -16.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I19 | I19-G23 PolarHBondContact O-N 3.17Å |
| 24 | G | 63.7 | Low | 75.2 | Confident | 7 Ų | 7 | 71.7 Ų | 71.7 | 7% | 0.072 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -12.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | K20 C21 L22 S107 | K20-G24 PolarHBondContact O-N 2.91Å; C21-G24 PolarHBondContact O-N 3.34Å; C21-G24 VanDerWaalsContact O-N 3.17Å; L22-G24 PolarHBondContact O-N 3Å; G24-S107 WeakPolarHBondContact O-CB 3.4Å; G24-S107 PolarHBondContact O-OG 3.21Å |
| 25 | I | 72.8 | Confident | 76.8 | Confident | 54 Ų | 54 | 69.9 Ų | 69.9 | 28% | 0.277 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -77.1 | 128.1 | -177.7 | -59.5 | 173.9 | 0 | 0 | 0 | 109.2 | L22 Y27 L30 F104 | L22-I25 PolarHBondContact O-N 3.28Å; I25-Y27 HydrophobicContact CB-CD2 4.45Å; I25-Y27 HydrophobicContact CB-CE1 4.33Å; I25-Y27 HydrophobicContact CB-CE2 4.16Å; I25-Y27 HydrophobicContact CG2-CD1 4.26Å; I25-Y27 HydrophobicContact CG2-CE1 4.3Å; I25-Y27 HydrophobicContact CG2-CG 4.49Å; I25-Y27 WeakPolarHBondContact O-CD2 3.23Å; I25-Y27 PolarHBondContact O-N 2.69Å; I25-L30 HydrophobicContact CG2-CD1 4.19Å; I25-F104 HydrophobicContact CG2-CE1 4.49Å |
| 26 | P | 83.1 | Confident | 78.6 | Confident | 12 Ų | 12 | 64.5 Ų | 64.5 | 8% | 0.078 | 36% | 0.357 | C | S | . | . | trans | -74 | 73.7 | 172.4 | 34.2 | -36.8 | 0 | 0 | 0 | 109.4 | P28 S29 L30 F104 | P26-P28 VanDerWaalsContact C-N 3.26Å; P26-P28 VanDerWaalsContact O-N 3.15Å; P26-S29 PolarHBondContact O-N 2.97Å; P26-L30 PolarHBondContact O-N 2.03Å; P26-F104 HydrophobicContact CG-CD1 3.92Å; P26-F104 HydrophobicContact CG-CD2 4.15Å; P26-F104 HydrophobicContact CG-CE1 4.07Å; P26-F104 HydrophobicContact CG-CE2 4.28Å; P26-F104 HydrophobicContact CG-CG 3.95Å; P26-F104 HydrophobicContact CG-CZ 4.24Å | ||
| 27 | Y | 84.5 | Confident | 80 | Confident | 106 Ų | 106 | 61.3 Ų | 61.3 | 42% | 0.416 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -48.3 | -41.1 | -179.6 | -66.1 | -78.2 | 0 | 0 | 0 | 113.6 | L22 I25 L30 I31 | L22-Y27 VanDerWaalsContact O-CE2 3.27Å; L22-Y27 WeakPolarHBondContact O-CE2 2.79Å; L22-Y27 PolarHBondContact O-OH 2.96Å; L22-Y27 VanDerWaalsContact O-OH 3.05Å; I25-Y27 HydrophobicContact CB-CD2 4.45Å; I25-Y27 HydrophobicContact CB-CE1 4.33Å; I25-Y27 HydrophobicContact CB-CE2 4.16Å; I25-Y27 HydrophobicContact CG2-CD1 4.26Å; I25-Y27 HydrophobicContact CG2-CE1 4.3Å; I25-Y27 HydrophobicContact CG2-CG 4.49Å; I25-Y27 WeakPolarHBondContact O-CD2 3.23Å; I25-Y27 PolarHBondContact O-N 2.69Å; Y27-L30 PolarHBondContact O-N 2.77Å; Y27-I31 VanDerWaalsContact O-CG1 3.31Å; Y27-I31 WeakPolarHBondContact O-CG1 3.37Å; Y27-I31 PolarHBondContact O-N 3.19Å |
| 28 | P | 87.1 | Confident | 81.7 | Confident | 74 Ų | 74 | 59.9 Ų | 59.9 | 48% | 0.481 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 175.6 | -25.5 | 37.2 | 0 | 0 | 0 | 113.5 | P26 A32 V234 | P26-P28 VanDerWaalsContact C-N 3.26Å; P26-P28 VanDerWaalsContact O-N 3.15Å; P28-A32 WeakPolarHBondContact O-CB 3.06Å; P28-A32 PolarHBondContact O-N 3.23Å; P28-V234 HydrophobicContact CB-CG2 3.41Å; P28-V234 VanDerWaalsContact CB-CG2 3.41Å |
| 29 | S | 88.6 | Confident | 83.3 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.4 | -36.8 | 176.5 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | P26 A32 T33 V234 | P26-S29 PolarHBondContact O-N 2.97Å; S29-A32 PolarHBondContact O-N 3.37Å; S29-T33 PolarHBondContact O-N 3.5Å; S29-T33 PolarHBondContact O-OG1 3.49Å; S29-V234 WeakPolarHBondContact OG-CG1 3.44Å |
| 30 | L | 90.6 | Very high | 84.9 | Confident | 59 Ų | 59 | 52 Ų | 52 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.8 | -46.8 | 177.8 | -178.5 | 136.1 | 0 | 0 | 0 | 111.4 | I25 P26 Y27 A32 T33 I34 | I25-L30 HydrophobicContact CG2-CD1 4.19Å; P26-L30 PolarHBondContact O-N 2.03Å; Y27-L30 PolarHBondContact O-N 2.77Å; L30-A32 VanDerWaalsContact C-N 3.32Å; L30-A32 PolarHBondContact O-N 3.23Å; L30-T33 WeakPolarHBondContact O-CB 3.46Å; L30-T33 PolarHBondContact O-N 3.13Å; L30-T33 VanDerWaalsContact O-N 3.15Å; L30-I34 HydrophobicContact CD2-CD1 3.72Å; L30-I34 HydrophobicContact CG-CD1 4.35Å; L30-I34 WeakPolarHBondContact O-CG1 3.2Å; L30-I34 PolarHBondContact O-N 3.01Å |
| 31 | I | 92.3 | Very high | 86.4 | Confident | 100 Ų | 100 | 47.2 Ų | 47.2 | 51% | 0.513 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 175.1 | -67.3 | 166.4 | 0 | 0 | 0 | 110.3 | Y27 T33 I34 L35 | Y27-I31 VanDerWaalsContact O-CG1 3.31Å; Y27-I31 WeakPolarHBondContact O-CG1 3.37Å; Y27-I31 PolarHBondContact O-N 3.19Å; I31-T33 VanDerWaalsContact C-N 3.29Å; I31-T33 PolarHBondContact O-N 3.49Å; I31-I34 PolarHBondContact O-N 3.41Å; I31-L35 WeakPolarHBondContact O-CB 3.2Å; I31-L35 PolarHBondContact O-N 3.32Å |
| 32 | A | 94.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.8 | -36.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | P28 S29 L30 L36 H230 Y231 | P28-A32 WeakPolarHBondContact O-CB 3.06Å; P28-A32 PolarHBondContact O-N 3.23Å; S29-A32 PolarHBondContact O-N 3.37Å; L30-A32 VanDerWaalsContact C-N 3.32Å; L30-A32 PolarHBondContact O-N 3.23Å; A32-L36 VanDerWaalsContact O-CB 3.25Å; A32-L36 WeakPolarHBondContact O-CB 3.28Å; A32-L36 PolarHBondContact O-N 3.46Å; A32-H230 HydrophobicContact CB-CB 3.9Å; A32-Y231 HydrophobicContact CB-CD1 4.02Å; A32-Y231 HydrophobicContact CB-CD2 3.83Å; A32-Y231 HydrophobicContact CB-CE1 3.92Å; A32-Y231 HydrophobicContact CB-CE2 3.73Å; A32-Y231 HydrophobicContact CB-CG 4Å |
| 33 | T | 94.9 | Very high | 89.6 | Confident | 6 Ų | 6 | 43.9 Ų | 43.9 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64 | -48.5 | 175.8 | -49.3 | 0 | 0 | 0 | 0 | 111.3 | S29 L30 I31 L35 L36 Y37 M100 Y231 | S29-T33 PolarHBondContact O-N 3.5Å; S29-T33 PolarHBondContact O-OG1 3.49Å; L30-T33 WeakPolarHBondContact O-CB 3.46Å; L30-T33 PolarHBondContact O-N 3.13Å; L30-T33 VanDerWaalsContact O-N 3.15Å; I31-T33 VanDerWaalsContact C-N 3.29Å; I31-T33 PolarHBondContact O-N 3.49Å; T33-L35 VanDerWaalsContact C-N 3.33Å; T33-L35 PolarHBondContact O-N 3.02Å; T33-L36 PolarHBondContact O-N 3.23Å; T33-Y37 HydrophobicContact CG2-CD2 4.04Å; T33-Y37 HydrophobicContact CG2-CE1 4.3Å; T33-Y37 HydrophobicContact CG2-CE2 3.58Å; T33-Y37 PolarHBondContact O-N 3.22Å; T33-M100 HydrophobicContact CG2-SD 4.24Å; T33-Y231 WeakPolarHBondContact CA-OH 3.27Å; T33-Y231 WeakPolarHBondContact CB-OH 3.21Å; T33-Y231 PolarHBondContact N-OH 3.14Å; T33-Y231 PolarHBondContact OG1-OH 3.05Å |
| 34 | I | 95.8 | Very high | 91.4 | Very high | 105 Ų | 105 | 41.5 Ų | 41.5 | 54% | 0.538 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 179.4 | -66.8 | 167.5 | 0 | 0 | 0 | 109.9 | L30 I31 L36 Y37 A38 | L30-I34 HydrophobicContact CD2-CD1 3.72Å; L30-I34 HydrophobicContact CG-CD1 4.35Å; L30-I34 WeakPolarHBondContact O-CG1 3.2Å; L30-I34 PolarHBondContact O-N 3.01Å; I31-I34 PolarHBondContact O-N 3.41Å; I34-L36 PolarHBondContact O-N 3.49Å; I34-Y37 PolarHBondContact O-N 3.43Å; I34-A38 VanDerWaalsContact O-CB 3.29Å; I34-A38 WeakPolarHBondContact O-CB 3.25Å; I34-A38 PolarHBondContact O-N 3.48Å |
| 35 | L | 96 | Very high | 92.9 | Very high | 56 Ų | 56 | 43 Ų | 43 | 29% | 0.293 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.7 | -40 | 179 | -170.6 | 64.1 | 0 | 0 | 0 | 111.9 | I31 T33 G39 A223 I226 A227 | I31-L35 WeakPolarHBondContact O-CB 3.2Å; I31-L35 PolarHBondContact O-N 3.32Å; T33-L35 VanDerWaalsContact C-N 3.33Å; T33-L35 PolarHBondContact O-N 3.02Å; L35-G39 PolarHBondContact O-N 3.37Å; L35-A223 HydrophobicContact CD1-CB 4.31Å; L35-I226 HydrophobicContact CD2-CB 4.2Å; L35-I226 HydrophobicContact CD2-CG2 3.73Å; L35-A227 HydrophobicContact CB-CB 4.08Å; L35-A227 HydrophobicContact CD2-CB 4.19Å; L35-A227 HydrophobicContact CG-CB 4.05Å |
| 36 | L | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.8 | -50.3 | 175.1 | 178 | 64.2 | 0 | 0 | 0 | 110.7 | A32 T33 I34 G39 V40 F92 A227 M228 Y231 | A32-L36 VanDerWaalsContact O-CB 3.25Å; A32-L36 WeakPolarHBondContact O-CB 3.28Å; A32-L36 PolarHBondContact O-N 3.46Å; T33-L36 PolarHBondContact O-N 3.23Å; I34-L36 PolarHBondContact O-N 3.49Å; L36-G39 PolarHBondContact O-N 3Å; L36-V40 HydrophobicContact CD1-CG2 3.89Å; L36-V40 HydrophobicContact CG-CG2 4.36Å; L36-V40 WeakPolarHBondContact O-CB 3.06Å; L36-V40 VanDerWaalsContact O-CG2 3.22Å; L36-V40 WeakPolarHBondContact O-CG2 3.38Å; L36-V40 PolarHBondContact O-N 2.98Å; L36-F92 HydrophobicContact CD1-CD1 4.33Å; L36-A227 HydrophobicContact CB-CB 3.78Å; L36-A227 HydrophobicContact CD1-CB 4.38Å; L36-M228 HydrophobicContact CD1-CE 3.63Å; L36-M228 HydrophobicContact CD2-CE 4.48Å; L36-Y231 HydrophobicContact CB-CE2 4.19Å; L36-Y231 HydrophobicContact CD2-CE2 3.93Å |
| 37 | Y | 97.1 | Very high | 94.6 | Very high | 63 Ų | 63 | 41 Ų | 41 | 25% | 0.247 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.6 | -41.6 | -178.8 | -68.7 | -11.3 | 0 | 0 | 0 | 112.3 | T33 I34 A41 F93 G96 I97 | T33-Y37 HydrophobicContact CG2-CD2 4.04Å; T33-Y37 HydrophobicContact CG2-CE1 4.3Å; T33-Y37 HydrophobicContact CG2-CE2 3.58Å; T33-Y37 PolarHBondContact O-N 3.22Å; I34-Y37 PolarHBondContact O-N 3.43Å; Y37-A41 WeakPolarHBondContact O-CB 3.49Å; Y37-A41 PolarHBondContact O-N 3.22Å; Y37-F93 HydrophobicContact CE1-CD2 4.32Å; Y37-F93 HydrophobicContact CE2-CD2 4.36Å; Y37-F93 HydrophobicContact CE2-CE2 4.35Å; Y37-F93 PolarHBondContact OH-O 3.38Å; Y37-G96 VanDerWaalsContact OH-C 3.26Å; Y37-I97 WeakPolarHBondContact OH-CG1 3.49Å; Y37-I97 PolarHBondContact OH-N 3.15Å |
| 38 | A | 97.6 | Very high | 95.1 | Very high | 46 Ų | 46 | 37.6 Ų | 37.6 | 38% | 0.38 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.3 | -46.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I34 A41 L42 | I34-A38 VanDerWaalsContact O-CB 3.29Å; I34-A38 WeakPolarHBondContact O-CB 3.25Å; I34-A38 PolarHBondContact O-N 3.48Å; A38-A41 PolarHBondContact O-N 3.3Å; A38-L42 WeakPolarHBondContact O-CB 3.44Å; A38-L42 VanDerWaalsContact O-CG 3.28Å; A38-L42 WeakPolarHBondContact O-CG 3.37Å; A38-L42 PolarHBondContact O-N 3.38Å |
| 39 | G | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63 | -49.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | L35 L36 L42 F43 G220 | L35-G39 PolarHBondContact O-N 3.37Å; L36-G39 PolarHBondContact O-N 3Å; G39-L42 PolarHBondContact O-N 3.18Å; G39-F43 WeakPolarHBondContact O-CB 3.47Å; G39-F43 PolarHBondContact O-N 2.98Å; G39-G220 CarbonylContact C-O 3.59Å; G39-G220 VanDerWaalsContact CA-O 3.27Å; G39-G220 WeakPolarHBondContact CA-O 3.33Å; G39-G220 CarbonylContact O-C 3.36Å; G39-G220 WeakPolarHBondContact O-CA 3.34Å |
| 40 | V | 97.6 | Very high | 95.7 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 178.3 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | L36 F43 C44 F92 W141 A224 | L36-V40 HydrophobicContact CD1-CG2 3.89Å; L36-V40 HydrophobicContact CG-CG2 4.36Å; L36-V40 WeakPolarHBondContact O-CB 3.06Å; L36-V40 VanDerWaalsContact O-CG2 3.22Å; L36-V40 WeakPolarHBondContact O-CG2 3.38Å; L36-V40 PolarHBondContact O-N 2.98Å; V40-F43 PolarHBondContact O-N 3.35Å; V40-C44 VanDerWaalsContact O-CB 3.24Å; V40-C44 WeakPolarHBondContact O-CB 3.17Å; V40-C44 PolarHBondContact O-N 3Å; V40-C44 PolarHBondContact O-SG 3.29Å; V40-F92 HydrophobicContact CG1-CB 4.15Å; V40-F92 HydrophobicContact CG2-CB 3.98Å; V40-F92 HydrophobicContact CG2-CG 4.25Å; V40-W141 HydrophobicContact CG2-CH2 4.07Å; V40-W141 HydrophobicContact CG2-CZ2 3.7Å; V40-A224 HydrophobicContact CG2-CB 4.41Å |
| 41 | A | 97.1 | Very high | 95.7 | Very high | 64 Ų | 64 | 36.9 Ų | 36.9 | 53% | 0.529 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y37 A38 G45 | Y37-A41 WeakPolarHBondContact O-CB 3.49Å; Y37-A41 PolarHBondContact O-N 3.22Å; A38-A41 PolarHBondContact O-N 3.3Å; A41-G45 WeakPolarHBondContact O-CA 3.38Å; A41-G45 PolarHBondContact O-N 3.14Å |
| 42 | L | 96.8 | Very high | 95.7 | Very high | 81 Ų | 81 | 33.4 Ų | 33.4 | 42% | 0.424 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.4 | -47.8 | 174.5 | -77 | 172.6 | 0 | 0 | 0 | 111.5 | A38 G39 C44 C46 | A38-L42 WeakPolarHBondContact O-CB 3.44Å; A38-L42 VanDerWaalsContact O-CG 3.28Å; A38-L42 WeakPolarHBondContact O-CG 3.37Å; A38-L42 PolarHBondContact O-N 3.38Å; G39-L42 PolarHBondContact O-N 3.18Å; L42-C44 PolarHBondContact O-N 3.38Å; L42-C46 WeakPolarHBondContact O-CB 3.4Å; L42-C46 PolarHBondContact O-N 2.93Å; L42-C46 PolarHBondContact O-SG 2.78Å; L42-C46 VanDerWaalsContact O-SG 3.4Å |
| 43 | F | 97.5 | Very high | 95.4 | Very high | 18 Ų | 18 | 34 Ų | 34 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.6 | -49.8 | 177.7 | 175.4 | -102.8 | 0 | 0 | 0 | 111.7 | G39 V40 G47 W141 V144 T148 S217 A221 | G39-F43 WeakPolarHBondContact O-CB 3.47Å; G39-F43 PolarHBondContact O-N 2.98Å; V40-F43 PolarHBondContact O-N 3.35Å; F43-G47 VanDerWaalsContact O-CA 3.26Å; F43-G47 WeakPolarHBondContact O-CA 3.47Å; F43-G47 PolarHBondContact O-N 2.91Å; F43-W141 HydrophobicContact CB-CH2 4.38Å; F43-W141 HydrophobicContact CB-CZ3 4.21Å; F43-W141 AromaticContact CD1-CH2 3.69Å; F43-W141 HydrophobicContact CD1-CH2 3.69Å; F43-W141 AromaticContact CD1-CZ3 3.74Å; F43-W141 HydrophobicContact CD1-CZ3 3.74Å; F43-W141 HydrophobicContact CD2-CZ3 4.37Å; F43-W141 HydrophobicContact CE1-CH2 4.28Å; F43-W141 HydrophobicContact CE1-CZ3 4.21Å; F43-W141 HydrophobicContact CG-CH2 4.13Å; F43-W141 AromaticContact CG-CZ3 3.82Å; F43-W141 HydrophobicContact CG-CZ3 3.82Å; F43-V144 HydrophobicContact CD2-CG1 4.35Å; F43-V144 HydrophobicContact CE1-CG1 4.08Å; F43-V144 HydrophobicContact CE2-CG1 3.53Å; F43-V144 HydrophobicContact CZ-CG1 3.36Å; F43-T148 HydrophobicContact CE2-CG2 4.27Å; F43-T148 WeakPolarHBondContact CE2-OG1 3.47Å; F43-S217 WeakPolarHBondContact CD2-O 3.4Å; F43-S217 WeakPolarHBondContact CD2-OG 3.45Å; F43-S217 PolarHBondContact O-OG 3.29Å; F43-A221 HydrophobicContact CD2-CB 3.8Å; F43-A221 HydrophobicContact CE2-CB 4.3Å; F43-A221 HydrophobicContact CG-CB 4.46Å |
| 44 | C | 96.8 | Very high | 95 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.7 | -46.7 | -175.7 | -63.9 | 0 | 0 | 0 | 0 | 112.1 | V40 L42 H48 I85 A89 | V40-C44 VanDerWaalsContact O-CB 3.24Å; V40-C44 WeakPolarHBondContact O-CB 3.17Å; V40-C44 PolarHBondContact O-N 3Å; V40-C44 PolarHBondContact O-SG 3.29Å; L42-C44 PolarHBondContact O-N 3.38Å; C44-H48 VanDerWaalsContact O-CB 3.22Å; C44-H48 WeakPolarHBondContact O-CB 3.38Å; C44-H48 PolarHBondContact O-N 2.97Å; C44-I85 HydrophobicContact CB-CG2 3.49Å; C44-I85 VanDerWaalsContact CB-CG2 3.49Å; C44-I85 WeakPolarHBondContact O-CG2 3.33Å; C44-A89 HydrophobicContact CB-CB 4.32Å |
| 45 | G | 96 | Very high | 94.6 | Very high | 39 Ų | 39 | 30 Ų | 30 | 40% | 0.402 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -67.3 | -55.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A41 G47 H48 E49 | A41-G45 WeakPolarHBondContact O-CA 3.38Å; A41-G45 PolarHBondContact O-N 3.14Å; G45-G47 VanDerWaalsContact C-N 3.32Å; G45-G47 PolarHBondContact O-N 2.99Å; G45-H48 PolarHBondContact O-N 3.08Å; G45-E49 PolarHBondContact O-N 2.81Å; G45-E49 VanDerWaalsContact O-N 3.14Å |
| 46 | C | 96.1 | Very high | 94.2 | Very high | 20 Ų | 20 | 29.5 Ų | 29.5 | 14% | 0.135 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.8 | -35.8 | 179.8 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | L42 A50 L213 C216 | L42-C46 WeakPolarHBondContact O-CB 3.4Å; L42-C46 PolarHBondContact O-N 2.93Å; L42-C46 PolarHBondContact O-SG 2.78Å; L42-C46 VanDerWaalsContact O-SG 3.4Å; C46-A50 WeakPolarHBondContact O-CB 3.29Å; C46-A50 PolarHBondContact O-N 2.79Å; C46-L213 HydrophobicContact CB-CB 4.48Å; C46-L213 HydrophobicContact CB-CD2 4.04Å; C46-L213 WeakPolarHBondContact CB-O 3.31Å; C46-C216 HydrophobicContact CB-CB 4.02Å |
| 47 | G | 94.7 | Very high | 93.6 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F43 G45 A50 L51 | F43-G47 VanDerWaalsContact O-CA 3.26Å; F43-G47 WeakPolarHBondContact O-CA 3.47Å; F43-G47 PolarHBondContact O-N 2.91Å; G45-G47 VanDerWaalsContact C-N 3.32Å; G45-G47 PolarHBondContact O-N 2.99Å; G47-A50 PolarHBondContact O-N 3.05Å; G47-L51 WeakPolarHBondContact O-CB 3.35Å; G47-L51 VanDerWaalsContact O-CD1 3.3Å; G47-L51 WeakPolarHBondContact O-CD1 3.41Å; G47-L51 VanDerWaalsContact O-CG 3.26Å; G47-L51 WeakPolarHBondContact O-CG 3.37Å; G47-L51 PolarHBondContact O-N 3.06Å |
| 48 | H | 95.3 | Very high | 92.9 | Very high | 35 Ų | 35 | 27.1 Ų | 27.1 | 16% | 0.162 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.6 | -47 | 177.5 | 177.2 | -89.6 | 0 | 0 | 0 | 112.3 | C44 G45 L51 S52 Y86 | C44-H48 VanDerWaalsContact O-CB 3.22Å; C44-H48 WeakPolarHBondContact O-CB 3.38Å; C44-H48 PolarHBondContact O-N 2.97Å; G45-H48 PolarHBondContact O-N 3.08Å; H48-L51 PolarHBondContact O-N 3.38Å; H48-S52 PolarHBondContact O-N 3.34Å; H48-S52 PolarHBondContact O-OG 3.06Å; H48-Y86 AromaticContact CD2-CZ 3.78Å; H48-Y86 PolarHBondContact CD2-OH 3.37Å; H48-Y86 VanDerWaalsContact CD2-OH 3.23Å; H48-Y86 AromaticContact NE2-CZ 3.93Å; H48-Y86 PolarHBondContact NE2-OH 2.99Å |
| 49 | E | 94.9 | Very high | 92.2 | Very high | 101 Ų | 101 | 28.5 Ų | 28.5 | 47% | 0.472 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -67.6 | -40.5 | 178.3 | -65.7 | -50 | 118.9 | 0 | 0 | 111.5 | G45 L51 S52 G53 L213 | G45-E49 PolarHBondContact O-N 2.81Å; G45-E49 VanDerWaalsContact O-N 3.14Å; E49-L51 PolarHBondContact O-N 3.38Å; E49-S52 WeakPolarHBondContact O-CB 3.48Å; E49-S52 PolarHBondContact O-N 3.48Å; E49-G53 PolarHBondContact O-N 3.09Å; E49-L213 HydrophobicContact CB-CD1 3.79Å; E49-L213 HydrophobicContact CB-CD2 4.17Å |
| 50 | A | 93.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.4 | -46.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C46 G47 S52 G53 T54 T210 L213 F214 | C46-A50 WeakPolarHBondContact O-CB 3.29Å; C46-A50 PolarHBondContact O-N 2.79Å; G47-A50 PolarHBondContact O-N 3.05Å; A50-S52 VanDerWaalsContact C-N 3.29Å; A50-S52 PolarHBondContact O-N 3.06Å; A50-G53 PolarHBondContact O-N 3.24Å; A50-T54 PolarHBondContact O-N 2.95Å; A50-T54 PolarHBondContact O-OG1 2.91Å; A50-T54 VanDerWaalsContact O-OG1 3.08Å; A50-T210 HydrophobicContact CB-CG2 4.48Å; A50-L213 HydrophobicContact CB-CB 3.8Å; A50-F214 HydrophobicContact CB-CD1 3.9Å; A50-F214 HydrophobicContact CB-CD2 3.8Å; A50-F214 HydrophobicContact CB-CE1 3.83Å; A50-F214 HydrophobicContact CB-CE2 3.72Å; A50-F214 HydrophobicContact CB-CG 3.87Å; A50-F214 HydrophobicContact CB-CZ 3.74Å |
| 51 | L | 91.8 | Very high | 90.6 | Very high | 19 Ų | 19 | 34.5 Ų | 34.5 | 10% | 0.099 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.2 | -38 | 175.9 | -77.2 | 158.9 | 0 | 0 | 0 | 111.8 | G47 H48 E49 T54 V55 I78 I81 K82 I85 | G47-L51 WeakPolarHBondContact O-CB 3.35Å; G47-L51 VanDerWaalsContact O-CD1 3.3Å; G47-L51 WeakPolarHBondContact O-CD1 3.41Å; G47-L51 VanDerWaalsContact O-CG 3.26Å; G47-L51 WeakPolarHBondContact O-CG 3.37Å; G47-L51 PolarHBondContact O-N 3.06Å; H48-L51 PolarHBondContact O-N 3.38Å; E49-L51 PolarHBondContact O-N 3.38Å; L51-T54 PolarHBondContact O-N 3.23Å; L51-V55 WeakPolarHBondContact O-CG2 3.25Å; L51-V55 PolarHBondContact O-N 3.39Å; L51-I78 HydrophobicContact CB-CG2 4Å; L51-I78 HydrophobicContact CD2-CB 4.48Å; L51-I78 HydrophobicContact CD2-CG1 4.17Å; L51-I78 HydrophobicContact CD2-CG2 4.01Å; L51-I81 HydrophobicContact CD1-CB 4.29Å; L51-I81 HydrophobicContact CD1-CG2 3.55Å; L51-I81 HydrophobicContact CD2-CG2 4.31Å; L51-K82 HydrophobicContact CB-CG 4.33Å; L51-K82 HydrophobicContact CD1-CG 4.16Å; L51-I85 HydrophobicContact CD1-CD1 3.56Å |
| 52 | S | 91.4 | Very high | 89.5 | Confident | 27 Ų | 27 | 32.3 Ų | 32.3 | 19% | 0.189 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.7 | -42.7 | 174.3 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | H48 E49 A50 T54 V55 T56 K82 | H48-S52 PolarHBondContact O-N 3.34Å; H48-S52 PolarHBondContact O-OG 3.06Å; E49-S52 WeakPolarHBondContact O-CB 3.48Å; E49-S52 PolarHBondContact O-N 3.48Å; A50-S52 VanDerWaalsContact C-N 3.29Å; A50-S52 PolarHBondContact O-N 3.06Å; S52-T54 VanDerWaalsContact C-N 3.35Å; S52-T54 PolarHBondContact O-N 3.31Å; S52-V55 WeakPolarHBondContact O-CB 3.06Å; S52-V55 PolarHBondContact O-N 3.04Å; S52-T56 PolarHBondContact O-N 3.17Å; S52-T56 VanDerWaalsContact O-N 3.13Å; S52-T56 PolarHBondContact O-OG1 3Å; S52-K82 VanDerWaalsContact OG-CE 3.27Å; S52-K82 WeakPolarHBondContact OG-CE 3.43Å; S52-K82 PolarHBondContact OG-NZ 2.86Å |
| 53 | G | 88.3 | Confident | 88.4 | Confident | 13 Ų | 13 | 33.1 Ų | 33.1 | 13% | 0.134 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.6 | -41.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E49 A50 V55 T56 I57 | E49-G53 PolarHBondContact O-N 3.09Å; A50-G53 PolarHBondContact O-N 3.24Å; G53-V55 VanDerWaalsContact C-N 3.32Å; G53-V55 PolarHBondContact O-N 3.18Å; G53-T56 PolarHBondContact O-N 3.47Å; G53-I57 VanDerWaalsContact O-CG1 3.32Å; G53-I57 WeakPolarHBondContact O-CG1 3.33Å; G53-I57 PolarHBondContact O-N 3.25Å |
| 54 | T | 87.1 | Confident | 87.2 | Confident | 16 Ų | 16 | 32.6 Ų | 32.6 | 10% | 0.098 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.1 | -42.8 | 174.2 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | A50 L51 S52 I57 L58 I78 Y155 | A50-T54 PolarHBondContact O-N 2.95Å; A50-T54 PolarHBondContact O-OG1 2.91Å; A50-T54 VanDerWaalsContact O-OG1 3.08Å; L51-T54 PolarHBondContact O-N 3.23Å; S52-T54 VanDerWaalsContact C-N 3.35Å; S52-T54 PolarHBondContact O-N 3.31Å; T54-I57 PolarHBondContact O-N 3.44Å; T54-L58 HydrophobicContact CG2-CD1 3.71Å; T54-L58 WeakPolarHBondContact O-CD1 3.45Å; T54-L58 PolarHBondContact O-N 3.29Å; T54-I78 HydrophobicContact CG2-CD1 4.2Å; T54-Y155 WeakPolarHBondContact CA-OH 3.38Å; T54-Y155 WeakPolarHBondContact CB-OH 3.22Å; T54-Y155 PolarHBondContact OG1-OH 3.03Å |
| 55 | V | 87 | Confident | 85.9 | Confident | 10 Ų | 10 | 36.8 Ų | 36.8 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.1 | -48.7 | 175.3 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | L51 S52 G53 I57 L58 Q59 F75 I78 | L51-V55 WeakPolarHBondContact O-CG2 3.25Å; L51-V55 PolarHBondContact O-N 3.39Å; S52-V55 WeakPolarHBondContact O-CB 3.06Å; S52-V55 PolarHBondContact O-N 3.04Å; G53-V55 VanDerWaalsContact C-N 3.32Å; G53-V55 PolarHBondContact O-N 3.18Å; V55-I57 VanDerWaalsContact C-N 3.3Å; V55-I57 PolarHBondContact O-N 3.5Å; V55-L58 PolarHBondContact O-N 2.86Å; V55-Q59 HydrophobicContact CG1-CG 4.42Å; V55-Q59 WeakPolarHBondContact O-CG 3.5Å; V55-Q59 PolarHBondContact O-N 3.16Å; V55-F75 HydrophobicContact CG1-CD1 3.96Å; V55-F75 HydrophobicContact CG1-CE1 3.95Å; V55-F75 HydrophobicContact CG2-CD1 4.16Å; V55-I78 HydrophobicContact CG2-CB 4.34Å; V55-I78 HydrophobicContact CG2-CD1 3.74Å; V55-I78 HydrophobicContact CG2-CG2 3.74Å |
| 56 | T | 86.6 | Confident | 84.5 | Confident | 46 Ų | 46 | 40.5 Ų | 40.5 | 28% | 0.282 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.9 | -43 | 178.9 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | S52 G53 Q59 N60 E206 | S52-T56 PolarHBondContact O-N 3.17Å; S52-T56 VanDerWaalsContact O-N 3.13Å; S52-T56 PolarHBondContact O-OG1 3Å; G53-T56 PolarHBondContact O-N 3.47Å; T56-Q59 PolarHBondContact O-N 2.66Å; T56-N60 VanDerWaalsContact CG2-ND2 3.25Å; T56-N60 WeakPolarHBondContact CG2-ND2 3.43Å; T56-N60 VanDerWaalsContact O-CB 3.29Å; T56-N60 WeakPolarHBondContact O-CB 3.35Å; T56-N60 PolarHBondContact O-N 3.22Å; T56-E206 WeakPolarHBondContact CG2-OE2 3.41Å |
| 57 | I | 85.1 | Confident | 82.9 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.8 | -45.6 | 179.4 | -68 | 163.8 | 0 | 0 | 0 | 111.4 | G53 T54 V55 Q59 Y61 F62 Y155 M201 L207 T210 | G53-I57 VanDerWaalsContact O-CG1 3.32Å; G53-I57 WeakPolarHBondContact O-CG1 3.33Å; G53-I57 PolarHBondContact O-N 3.25Å; T54-I57 PolarHBondContact O-N 3.44Å; V55-I57 VanDerWaalsContact C-N 3.3Å; V55-I57 PolarHBondContact O-N 3.5Å; I57-Q59 VanDerWaalsContact C-N 3.31Å; I57-Q59 PolarHBondContact O-N 2.93Å; I57-Y61 HydrophobicContact CB-CD2 4.42Å; I57-Y61 HydrophobicContact CG2-CD2 4.16Å; I57-Y61 WeakPolarHBondContact O-CB 3.41Å; I57-Y61 PolarHBondContact O-N 3.34Å; I57-F62 HydrophobicContact CG2-CD2 4.35Å; I57-F62 HydrophobicContact CG2-CE2 4.23Å; I57-Y155 HydrophobicContact CD1-CE1 4.04Å; I57-M201 HydrophobicContact CG2-SD 4.4Å; I57-L207 HydrophobicContact CD1-CD1 4.03Å; I57-T210 HydrophobicContact CD1-CG2 4.46Å |
| 58 | L | 81.6 | Confident | 81.2 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.047 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61 | -40.6 | 178.1 | -97.4 | 77.9 | 0 | 0 | 0 | 111.9 | T54 V55 F62 E63 V64 V74 F75 I182 | T54-L58 HydrophobicContact CG2-CD1 3.71Å; T54-L58 WeakPolarHBondContact O-CD1 3.45Å; T54-L58 PolarHBondContact O-N 3.29Å; V55-L58 PolarHBondContact O-N 2.86Å; L58-F62 CarbonylContact O-C 3.4Å; L58-F62 WeakPolarHBondContact O-CB 3.36Å; L58-F62 PolarHBondContact O-N 2.66Å; L58-E63 PolarHBondContact O-N 3.25Å; L58-E63 VanDerWaalsContact O-N 3.13Å; L58-V64 HydrophobicContact CB-CB 4.45Å; L58-V64 HydrophobicContact CB-CG2 4.46Å; L58-V64 HydrophobicContact CD2-CG2 4.46Å; L58-V64 HydrophobicContact CG-CG2 4.42Å; L58-V64 PolarHBondContact O-N 3.33Å; L58-V74 HydrophobicContact CD2-CG1 4.14Å; L58-F75 HydrophobicContact CB-CE1 4.17Å; L58-F75 HydrophobicContact CB-CZ 4.17Å; L58-F75 HydrophobicContact CD2-CE1 4.47Å; L58-F75 HydrophobicContact CD2-CZ 4.41Å; L58-I182 HydrophobicContact CD1-CG2 4.22Å; L58-I182 HydrophobicContact CD2-CG2 3.81Å; L58-I182 HydrophobicContact CG-CG2 4.41Å |
| 59 | Q | 82.8 | Confident | 79.3 | Confident | 75 Ų | 75 | 50.5 Ų | 50.5 | 35% | 0.35 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -74.7 | -43 | -178.8 | -67.2 | -172.4 | -74.8 | 0 | 0 | 112.3 | V55 T56 I57 E63 F75 | V55-Q59 HydrophobicContact CG1-CG 4.42Å; V55-Q59 WeakPolarHBondContact O-CG 3.5Å; V55-Q59 PolarHBondContact O-N 3.16Å; T56-Q59 PolarHBondContact O-N 2.66Å; I57-Q59 VanDerWaalsContact C-N 3.31Å; I57-Q59 PolarHBondContact O-N 2.93Å; Q59-E63 WeakPolarHBondContact O-CA 3.47Å; Q59-F75 HydrophobicContact CG-CE1 3.74Å; Q59-F75 HydrophobicContact CG-CZ 3.77Å |
| 60 | N | 82.7 | Confident | 77.3 | Confident | 96 Ų | 96 | 53.8 Ų | 53.8 | 51% | 0.513 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -83.9 | -35.5 | -172 | -71.4 | -18.1 | 0 | 0 | 0 | 113.5 | T56 | T56-N60 VanDerWaalsContact CG2-ND2 3.25Å; T56-N60 WeakPolarHBondContact CG2-ND2 3.43Å; T56-N60 VanDerWaalsContact O-CB 3.29Å; T56-N60 WeakPolarHBondContact O-CB 3.35Å; T56-N60 PolarHBondContact O-N 3.22Å |
| 61 | Y | 78.9 | Confident | 75.6 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 15% | 0.145 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -40.1 | -172.6 | -62.1 | -79.1 | 0 | 0 | 0 | 113.1 | I57 K200 M201 S204 | I57-Y61 HydrophobicContact CB-CD2 4.42Å; I57-Y61 HydrophobicContact CG2-CD2 4.16Å; I57-Y61 WeakPolarHBondContact O-CB 3.41Å; I57-Y61 PolarHBondContact O-N 3.34Å; Y61-K200 HydrophobicContact CE1-CB 4.13Å; Y61-K200 PolarHBondContact OH-O 3.12Å; Y61-M201 HydrophobicContact CD1-CB 3.53Å; Y61-M201 HydrophobicContact CD1-CG 4.07Å; Y61-M201 HydrophobicContact CD2-CB 4.46Å; Y61-M201 HydrophobicContact CD2-CG 4.13Å; Y61-M201 VanDerWaalsContact CE1-CA 3.45Å; Y61-M201 HydrophobicContact CE1-CB 3.77Å; Y61-M201 HydrophobicContact CE1-CG 4.4Å; Y61-M201 HydrophobicContact CE2-CG 4.48Å; Y61-M201 HydrophobicContact CG-CB 3.91Å; Y61-M201 HydrophobicContact CG-CG 3.9Å; Y61-M201 HydrophobicContact CG-SD 4.35Å; Y61-S204 WeakPolarHBondContact OH-CB 3.38Å |
| 62 | F | 75.7 | Confident | 74.2 | Confident | 18 Ų | 18 | 63.3 Ų | 63.3 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -91.9 | -3.7 | 176.5 | -66.7 | -88.9 | 0 | 0 | 0 | 112.5 | I57 L58 V64 L175 P177 K189 V191 M201 | I57-F62 HydrophobicContact CG2-CD2 4.35Å; I57-F62 HydrophobicContact CG2-CE2 4.23Å; L58-F62 CarbonylContact O-C 3.4Å; L58-F62 WeakPolarHBondContact O-CB 3.36Å; L58-F62 PolarHBondContact O-N 2.66Å; F62-V64 HydrophobicContact CB-CG2 3.74Å; F62-V64 PolarHBondContact O-N 3.23Å; F62-L175 HydrophobicContact CE1-CB 4.33Å; F62-L175 HydrophobicContact CZ-CB 4.34Å; F62-P177 HydrophobicContact CD1-CG 3.8Å; F62-P177 HydrophobicContact CE1-CG 4.17Å; F62-K189 VanDerWaalsContact O-CB 3.3Å; F62-K189 WeakPolarHBondContact O-CB 3.46Å; F62-K189 WeakPolarHBondContact O-CD 3.46Å; F62-V191 HydrophobicContact CD1-CB 4.39Å; F62-V191 HydrophobicContact CD1-CG2 3.54Å; F62-V191 HydrophobicContact CE1-CB 3.87Å; F62-V191 HydrophobicContact CE1-CG2 3.51Å; F62-V191 HydrophobicContact CG-CG2 4.14Å; F62-V191 HydrophobicContact CZ-CB 4.3Å; F62-V191 HydrophobicContact CZ-CG2 4.08Å; F62-M201 HydrophobicContact CE2-SD 3.83Å; F62-M201 HydrophobicContact CZ-SD 4.25Å |
| 63 | E | 73 | Confident | 73.4 | Confident | 99 Ų | 99 | 62.8 Ų | 62.8 | 46% | 0.463 | 35% | 0.348 | S | S | . | . | trans | 52.1 | 24.3 | -178.7 | -65.7 | 178.1 | 158.5 | 0 | 0 | 113.5 | L58 Q59 V65 K189 K197 | L58-E63 PolarHBondContact O-N 3.25Å; L58-E63 VanDerWaalsContact O-N 3.13Å; Q59-E63 WeakPolarHBondContact O-CA 3.47Å; E63-V65 PolarHBondContact O-N 3.47Å; E63-V65 VanDerWaalsContact O-N 3.16Å; E63-K189 HydrophobicContact CB-CD 4.17Å; E63-K189 PolarHBondContact O-NZ 3.18Å; E63-K197 IonicContact OE1-NZ 3.66Å; E63-K197 PolarHBondContact OE1-NZ 3.45Å; E63-K197 IonicContact OE2-NZ 3.2Å; E63-K197 PolarHBondContact OE2-NZ 3.4Å | ||
| 64 | V | 72.4 | Confident | 72.9 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.036 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 119 | -179.1 | -170.5 | 0 | 0 | 0 | 0 | 107.8 | L58 F62 F75 V183 | L58-V64 HydrophobicContact CB-CB 4.45Å; L58-V64 HydrophobicContact CB-CG2 4.46Å; L58-V64 HydrophobicContact CD2-CG2 4.46Å; L58-V64 HydrophobicContact CG-CG2 4.42Å; L58-V64 PolarHBondContact O-N 3.33Å; F62-V64 HydrophobicContact CB-CG2 3.74Å; F62-V64 PolarHBondContact O-N 3.23Å; V64-F75 HydrophobicContact CB-CE2 4.17Å; V64-F75 HydrophobicContact CB-CZ 4.03Å; V64-F75 HydrophobicContact CG1-CE2 3.72Å; V64-F75 HydrophobicContact CG1-CZ 4.07Å; V64-F75 WeakPolarHBondContact O-CZ 3.3Å; V64-V183 HydrophobicContact CG1-CG2 4.36Å; V64-V183 HydrophobicContact CG2-CG2 4.13Å |
| 65 | V | 68.6 | Low | 72.6 | Confident | 98 Ų | 98 | 62.3 Ų | 62.3 | 59% | 0.594 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -92.3 | 139 | -179.4 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | E63 G67 | E63-V65 PolarHBondContact O-N 3.47Å; E63-V65 VanDerWaalsContact O-N 3.16Å; V65-G67 PolarHBondContact O-N 3.22Å; V65-G67 VanDerWaalsContact O-N 3.11Å |
| 66 | R | 67.5 | Low | 72.4 | Confident | 116 Ų | 116 | 64.8 Ų | 64.8 | 44% | 0.438 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 117.9 | 173.2 | -80.8 | -174.1 | 171.4 | 86.7 | -4.3 | 109.5 | F75 | R66-F75 HydrophobicContact CB-CD2 4.24Å; R66-F75 HydrophobicContact CG-CB 3.93Å; R66-F75 HydrophobicContact CG-CD1 4.32Å; R66-F75 HydrophobicContact CG-CD2 3.49Å; R66-F75 VanDerWaalsContact CG-CD2 3.49Å; R66-F75 HydrophobicContact CG-CE2 4Å; R66-F75 HydrophobicContact CG-CG 3.65Å |
| 67 | G | 62.7 | Low | 72.3 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 32% | 0.32 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 164 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V65 D73 | V65-G67 PolarHBondContact O-N 3.22Å; V65-G67 VanDerWaalsContact O-N 3.11Å; G67-D73 PolarHBondContact N-OD2 3.08Å; G67-D73 VanDerWaalsContact N-OD2 3.13Å |
| 68 | P | 59.1 | Low | 72.4 | Confident | 103 Ų | 103 | 66.8 Ų | 66.8 | 67% | 0.669 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 146.1 | 171.1 | 23.2 | -30.2 | 0 | 0 | 0 | 111 | D70 S71 | P68-D70 PolarHBondContact O-N 2.88Å; P68-S71 PolarHBondContact O-N 3.45Å; P68-S71 PolarHBondContact O-OG 2.95Å |
| 69 | V | 55.7 | Low | 72.7 | Confident | 135 Ų | 135 | 69.1 Ų | 69.1 | 82% | 0.818 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -22 | -169.9 | 178.5 | 0 | 0 | 0 | 0 | 114.6 | S71 | V69-S71 VanDerWaalsContact C-N 3.33Å; V69-S71 PolarHBondContact O-N 3.24Å |
| 70 | D | 51.7 | Low | 73.1 | Confident | 170 Ų | 170 | 70.4 Ų | 70.4 | 91% | 0.909 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -4.8 | -178.5 | -65.1 | -36.2 | 0 | 0 | 0 | 114.8 | P68 | P68-D70 PolarHBondContact O-N 2.88Š|
| 71 | S | 57.8 | Low | 73.4 | Confident | 54 Ų | 54 | 69.1 Ų | 69.1 | 38% | 0.378 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -104.9 | 136.6 | 176.8 | 59.7 | 0 | 0 | 0 | 0 | 111.7 | P68 V69 D73 | P68-S71 PolarHBondContact O-N 3.45Å; P68-S71 PolarHBondContact O-OG 2.95Å; V69-S71 VanDerWaalsContact C-N 3.33Å; V69-S71 PolarHBondContact O-N 3.24Å; S71-D73 PolarHBondContact O-N 2.92Å |
| 72 | L | 63.3 | Low | 74.1 | Confident | 166 Ų | 166 | 68.8 Ų | 68.8 | 87% | 0.869 | 38% | 0.377 | S | S | * | . | trans | -76.6 | 69.5 | -179.4 | -141.5 | 145.8 | 0 | 0 | 0 | 109.4 | ||||
| 73 | D | 73.4 | Confident | 74.9 | Confident | 16 Ų | 16 | 76.2 Ų | 76.2 | 9% | 0.086 | 41% | 0.406 | C | S | . | . | trans | -86.9 | 158.9 | -176.3 | -164.7 | 13.1 | 0 | 0 | 0 | 111.3 | G67 S71 F75 T76 M77 | G67-D73 PolarHBondContact N-OD2 3.08Å; G67-D73 VanDerWaalsContact N-OD2 3.13Å; S71-D73 PolarHBondContact O-N 2.92Å; D73-F75 VanDerWaalsContact C-N 3.27Å; D73-F75 PolarHBondContact O-N 2.85Å; D73-F75 WeakPolarHBondContact OD2-CD2 3.35Å; D73-T76 WeakPolarHBondContact O-CB 3.49Å; D73-T76 PolarHBondContact O-N 2.04Å; D73-T76 VanDerWaalsContact O-N 3.08Å; D73-M77 PolarHBondContact O-N 2.97Å; D73-M77 VanDerWaalsContact O-N 3.17Å | ||
| 74 | V | 77.3 | Confident | 75.9 | Confident | 17 Ų | 17 | 75.3 Ų | 75.3 | 10% | 0.103 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.3 | -25.9 | -172.2 | 161 | 0 | 0 | 0 | 0 | 113.4 | L58 M77 I78 I182 | L58-V74 HydrophobicContact CD2-CG1 4.14Å; V74-M77 HydrophobicContact CG1-CE 4.28Å; V74-M77 HydrophobicContact CG2-CE 4.08Å; V74-M77 PolarHBondContact O-N 3.22Å; V74-I78 HydrophobicContact CG1-CD1 3.91Å; V74-I78 HydrophobicContact CG1-CG1 4.36Å; V74-I78 VanDerWaalsContact O-CG1 3.29Å; V74-I78 WeakPolarHBondContact O-CG1 3.32Å; V74-I78 PolarHBondContact O-N 2.96Å; V74-I182 VanDerWaalsContact CB-O 3.23Å; V74-I182 WeakPolarHBondContact CB-O 3.26Å; V74-I182 HydrophobicContact CG1-CG2 4.1Å; V74-I182 WeakPolarHBondContact CG2-O 3.32Å |
| 75 | F | 81.9 | Confident | 77 | Confident | 2 Ų | 2 | 75.3 Ų | 75.3 | 1% | 0.009 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 170.8 | -60.2 | -69.6 | 0 | 0 | 0 | 112.2 | V55 L58 Q59 V64 R66 D73 M77 I78 D79 | V55-F75 HydrophobicContact CG1-CD1 3.96Å; V55-F75 HydrophobicContact CG1-CE1 3.95Å; V55-F75 HydrophobicContact CG2-CD1 4.16Å; L58-F75 HydrophobicContact CB-CE1 4.17Å; L58-F75 HydrophobicContact CB-CZ 4.17Å; L58-F75 HydrophobicContact CD2-CE1 4.47Å; L58-F75 HydrophobicContact CD2-CZ 4.41Å; Q59-F75 HydrophobicContact CG-CE1 3.74Å; Q59-F75 HydrophobicContact CG-CZ 3.77Å; V64-F75 HydrophobicContact CB-CE2 4.17Å; V64-F75 HydrophobicContact CB-CZ 4.03Å; V64-F75 HydrophobicContact CG1-CE2 3.72Å; V64-F75 HydrophobicContact CG1-CZ 4.07Å; V64-F75 WeakPolarHBondContact O-CZ 3.3Å; R66-F75 HydrophobicContact CB-CD2 4.24Å; R66-F75 HydrophobicContact CG-CB 3.93Å; R66-F75 HydrophobicContact CG-CD1 4.32Å; R66-F75 HydrophobicContact CG-CD2 3.49Å; R66-F75 VanDerWaalsContact CG-CD2 3.49Å; R66-F75 HydrophobicContact CG-CE2 4Å; R66-F75 HydrophobicContact CG-CG 3.65Å; D73-F75 VanDerWaalsContact C-N 3.27Å; D73-F75 PolarHBondContact O-N 2.85Å; D73-F75 WeakPolarHBondContact OD2-CD2 3.35Å; F75-M77 VanDerWaalsContact C-N 3.33Å; F75-M77 PolarHBondContact O-N 3.43Å; F75-I78 PolarHBondContact O-N 2.87Å; F75-D79 PolarHBondContact O-N 3.4Å |
| 76 | T | 83.5 | Confident | 78.2 | Confident | 61 Ų | 61 | 76.7 Ų | 76.7 | 37% | 0.374 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 176.2 | -51.5 | 0 | 0 | 0 | 0 | 110.9 | D73 D79 I80 | D73-T76 WeakPolarHBondContact O-CB 3.49Å; D73-T76 PolarHBondContact O-N 2.04Å; D73-T76 VanDerWaalsContact O-N 3.08Å; T76-D79 PolarHBondContact O-N 3.06Å; T76-I80 HydrophobicContact CG2-CD1 4.23Å; T76-I80 VanDerWaalsContact O-CG1 3.27Å; T76-I80 WeakPolarHBondContact O-CG1 3.04Å; T76-I80 PolarHBondContact O-N 3.21Å |
| 77 | M | 83.4 | Confident | 79.5 | Confident | 87 Ų | 87 | 73 Ų | 73 | 43% | 0.429 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 175.3 | -174.5 | -179.8 | 66.5 | 0 | 0 | 111.8 | D73 V74 F75 D79 I80 I81 | D73-M77 PolarHBondContact O-N 2.97Å; D73-M77 VanDerWaalsContact O-N 3.17Å; V74-M77 HydrophobicContact CG1-CE 4.28Å; V74-M77 HydrophobicContact CG2-CE 4.08Å; V74-M77 PolarHBondContact O-N 3.22Å; F75-M77 VanDerWaalsContact C-N 3.33Å; F75-M77 PolarHBondContact O-N 3.43Å; M77-D79 VanDerWaalsContact C-N 3.34Å; M77-D79 PolarHBondContact O-N 3.06Å; M77-I80 PolarHBondContact O-N 3.4Å; M77-I81 HydrophobicContact CG-CD1 4.15Å; M77-I81 VanDerWaalsContact O-CG1 3.31Å; M77-I81 WeakPolarHBondContact O-CG1 3.49Å; M77-I81 PolarHBondContact O-N 3.31Å |
| 78 | I | 87.3 | Confident | 81 | Confident | 6 Ų | 6 | 73.2 Ų | 73.2 | 3% | 0.031 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 176.8 | -71.7 | 166.8 | 0 | 0 | 0 | 110.9 | L51 T54 V55 V74 F75 I80 I81 K82 | L51-I78 HydrophobicContact CB-CG2 4Å; L51-I78 HydrophobicContact CD2-CB 4.48Å; L51-I78 HydrophobicContact CD2-CG1 4.17Å; L51-I78 HydrophobicContact CD2-CG2 4.01Å; T54-I78 HydrophobicContact CG2-CD1 4.2Å; V55-I78 HydrophobicContact CG2-CB 4.34Å; V55-I78 HydrophobicContact CG2-CD1 3.74Å; V55-I78 HydrophobicContact CG2-CG2 3.74Å; V74-I78 HydrophobicContact CG1-CD1 3.91Å; V74-I78 HydrophobicContact CG1-CG1 4.36Å; V74-I78 VanDerWaalsContact O-CG1 3.29Å; V74-I78 WeakPolarHBondContact O-CG1 3.32Å; V74-I78 PolarHBondContact O-N 2.96Å; F75-I78 PolarHBondContact O-N 2.87Å; I78-I80 PolarHBondContact O-N 2.81Å; I78-I81 PolarHBondContact O-N 2.69Å; I78-K82 HydrophobicContact CG2-CD 4.38Å; I78-K82 WeakPolarHBondContact O-CG 3.48Å; I78-K82 PolarHBondContact O-N 3.36Å |
| 79 | D | 88.2 | Confident | 82.7 | Confident | 59 Ų | 59 | 70 Ų | 70 | 32% | 0.316 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 178.3 | -70.6 | -24.3 | 0 | 0 | 0 | 111.4 | F75 T76 M77 I81 K82 Y83 | F75-D79 PolarHBondContact O-N 3.4Å; T76-D79 PolarHBondContact O-N 3.06Å; M77-D79 VanDerWaalsContact C-N 3.34Å; M77-D79 PolarHBondContact O-N 3.06Å; D79-I81 VanDerWaalsContact C-N 3.34Å; D79-I81 PolarHBondContact O-N 3.4Å; D79-K82 WeakPolarHBondContact O-CB 3.02Å; D79-K82 PolarHBondContact O-N 3.2Å; D79-Y83 WeakPolarHBondContact O-CD2 3.39Å; D79-Y83 PolarHBondContact O-N 3.42Å |
| 80 | I | 90.1 | Very high | 84.6 | Confident | 101 Ų | 101 | 67.1 Ų | 67.1 | 52% | 0.518 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.3 | -46.2 | 173.5 | -68.6 | 165 | 0 | 0 | 0 | 110.9 | T76 M77 I78 K82 Y83 V84 | T76-I80 HydrophobicContact CG2-CD1 4.23Å; T76-I80 VanDerWaalsContact O-CG1 3.27Å; T76-I80 WeakPolarHBondContact O-CG1 3.04Å; T76-I80 PolarHBondContact O-N 3.21Å; M77-I80 PolarHBondContact O-N 3.4Å; I78-I80 PolarHBondContact O-N 2.81Å; I80-K82 VanDerWaalsContact C-N 3.31Å; I80-K82 PolarHBondContact O-N 2.96Å; I80-Y83 PolarHBondContact O-N 3.42Å; I80-V84 WeakPolarHBondContact O-CG2 3.48Å; I80-V84 PolarHBondContact O-N 3.14Å |
| 81 | I | 91 | Very high | 86.7 | Confident | 69 Ų | 69 | 61.8 Ų | 61.8 | 35% | 0.354 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 179.2 | -65.9 | 166.4 | 0 | 0 | 0 | 110.7 | L51 M77 I78 D79 Y83 V84 I85 | L51-I81 HydrophobicContact CD1-CB 4.29Å; L51-I81 HydrophobicContact CD1-CG2 3.55Å; L51-I81 HydrophobicContact CD2-CG2 4.31Å; M77-I81 HydrophobicContact CG-CD1 4.15Å; M77-I81 VanDerWaalsContact O-CG1 3.31Å; M77-I81 WeakPolarHBondContact O-CG1 3.49Å; M77-I81 PolarHBondContact O-N 3.31Å; I78-I81 PolarHBondContact O-N 2.69Å; D79-I81 VanDerWaalsContact C-N 3.34Å; D79-I81 PolarHBondContact O-N 3.4Å; I81-Y83 PolarHBondContact O-N 3.45Å; I81-V84 PolarHBondContact O-N 3.37Å; I81-I85 HydrophobicContact CG2-CD1 4.17Å; I81-I85 WeakPolarHBondContact O-CG1 3.44Å; I81-I85 PolarHBondContact O-N 2.91Å |
| 82 | K | 92.2 | Very high | 88.6 | Confident | 31 Ų | 31 | 60 Ų | 60 | 14% | 0.135 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 175.6 | -72.2 | 176.7 | 171.5 | -175.7 | 0 | 112.4 | L51 S52 I78 D79 I80 V84 I85 Y86 | L51-K82 HydrophobicContact CB-CG 4.33Å; L51-K82 HydrophobicContact CD1-CG 4.16Å; S52-K82 VanDerWaalsContact OG-CE 3.27Å; S52-K82 WeakPolarHBondContact OG-CE 3.43Å; S52-K82 PolarHBondContact OG-NZ 2.86Å; I78-K82 HydrophobicContact CG2-CD 4.38Å; I78-K82 WeakPolarHBondContact O-CG 3.48Å; I78-K82 PolarHBondContact O-N 3.36Å; D79-K82 WeakPolarHBondContact O-CB 3.02Å; D79-K82 PolarHBondContact O-N 3.2Å; I80-K82 VanDerWaalsContact C-N 3.31Å; I80-K82 PolarHBondContact O-N 2.96Å; K82-V84 VanDerWaalsContact C-N 3.32Å; K82-V84 PolarHBondContact O-N 3.31Å; K82-I85 WeakPolarHBondContact O-CB 3.47Å; K82-I85 PolarHBondContact O-N 2.97Å; K82-Y86 WeakPolarHBondContact O-CD2 3.24Å; K82-Y86 PolarHBondContact O-N 3.13Å |
| 83 | Y | 93.3 | Very high | 90.1 | Very high | 173 Ų | 173 | 57.6 Ų | 57.6 | 68% | 0.678 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.5 | -40.2 | 175.1 | -74.6 | -65.1 | 0 | 0 | 0 | 112.3 | D79 I80 I81 I85 Y86 G87 | D79-Y83 WeakPolarHBondContact O-CD2 3.39Å; D79-Y83 PolarHBondContact O-N 3.42Å; I80-Y83 PolarHBondContact O-N 3.42Å; I81-Y83 PolarHBondContact O-N 3.45Å; Y83-I85 VanDerWaalsContact C-N 3.32Å; Y83-I85 PolarHBondContact O-N 2.85Å; Y83-Y86 PolarHBondContact O-N 3.32Å; Y83-G87 PolarHBondContact O-N 2.95Å |
| 84 | V | 94.3 | Very high | 91.2 | Very high | 80 Ų | 80 | 60.9 Ų | 60.9 | 49% | 0.485 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 175.1 | 172.1 | 0 | 0 | 0 | 0 | 111 | I80 I81 K82 Y86 G87 I88 | I80-V84 WeakPolarHBondContact O-CG2 3.48Å; I80-V84 PolarHBondContact O-N 3.14Å; I81-V84 PolarHBondContact O-N 3.37Å; K82-V84 VanDerWaalsContact C-N 3.32Å; K82-V84 PolarHBondContact O-N 3.31Å; V84-Y86 VanDerWaalsContact C-N 3.34Å; V84-Y86 PolarHBondContact O-N 3.47Å; V84-G87 WeakPolarHBondContact O-CA 3.15Å; V84-G87 PolarHBondContact O-N 2.96Å; V84-G87 VanDerWaalsContact O-N 3.12Å; V84-I88 HydrophobicContact CG1-CD1 3.78Å; V84-I88 HydrophobicContact CG1-CG1 4.23Å; V84-I88 WeakPolarHBondContact O-CG1 3.46Å; V84-I88 PolarHBondContact O-N 3.42Å |
| 85 | I | 94.6 | Very high | 92 | Very high | 7 Ų | 7 | 60.7 Ų | 60.7 | 4% | 0.036 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.7 | -44.1 | 176.9 | -75.1 | 170.1 | 0 | 0 | 0 | 111.8 | C44 L51 I81 K82 Y83 G87 I88 A89 | C44-I85 HydrophobicContact CB-CG2 3.49Å; C44-I85 VanDerWaalsContact CB-CG2 3.49Å; C44-I85 WeakPolarHBondContact O-CG2 3.33Å; L51-I85 HydrophobicContact CD1-CD1 3.56Å; I81-I85 HydrophobicContact CG2-CD1 4.17Å; I81-I85 WeakPolarHBondContact O-CG1 3.44Å; I81-I85 PolarHBondContact O-N 2.91Å; K82-I85 WeakPolarHBondContact O-CB 3.47Å; K82-I85 PolarHBondContact O-N 2.97Å; Y83-I85 VanDerWaalsContact C-N 3.32Å; Y83-I85 PolarHBondContact O-N 2.85Å; I85-G87 VanDerWaalsContact C-N 3.32Å; I85-G87 PolarHBondContact O-N 3.28Å; I85-I88 PolarHBondContact O-N 3.09Å; I85-A89 PolarHBondContact O-N 2.89Å |
| 86 | Y | 93.6 | Very high | 92.6 | Very high | 126 Ų | 126 | 60.6 Ų | 60.6 | 49% | 0.494 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.7 | -37 | 176.4 | -60.4 | -43.3 | 0 | 0 | 0 | 112.8 | H48 K82 Y83 V84 S90 | H48-Y86 AromaticContact CD2-CZ 3.78Å; H48-Y86 PolarHBondContact CD2-OH 3.37Å; H48-Y86 VanDerWaalsContact CD2-OH 3.23Å; H48-Y86 AromaticContact NE2-CZ 3.93Å; H48-Y86 PolarHBondContact NE2-OH 2.99Å; K82-Y86 WeakPolarHBondContact O-CD2 3.24Å; K82-Y86 PolarHBondContact O-N 3.13Å; Y83-Y86 PolarHBondContact O-N 3.32Å; V84-Y86 VanDerWaalsContact C-N 3.34Å; V84-Y86 PolarHBondContact O-N 3.47Å; Y86-S90 PolarHBondContact O-N 3.01Å; Y86-S90 PolarHBondContact O-OG 3.49Å; Y86-S90 VanDerWaalsContact O-OG 3.06Å |
| 87 | G | 95.1 | Very high | 93.1 | Very high | 38 Ų | 38 | 61.1 Ų | 61.1 | 39% | 0.392 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y83 V84 I85 S90 A91 | Y83-G87 PolarHBondContact O-N 2.95Å; V84-G87 WeakPolarHBondContact O-CA 3.15Å; V84-G87 PolarHBondContact O-N 2.96Å; V84-G87 VanDerWaalsContact O-N 3.12Å; I85-G87 VanDerWaalsContact C-N 3.32Å; I85-G87 PolarHBondContact O-N 3.28Å; G87-S90 PolarHBondContact O-OG 2.67Å; G87-S90 VanDerWaalsContact O-OG 3.06Å; G87-A91 VanDerWaalsContact O-CB 3.26Å; G87-A91 WeakPolarHBondContact O-CB 3.43Å; G87-A91 PolarHBondContact O-N 3.47Å |
| 88 | I | 95 | Very high | 93.5 | Very high | 37 Ų | 37 | 61 Ų | 61 | 19% | 0.19 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 177 | -68.6 | 170.9 | 0 | 0 | 0 | 110.4 | V84 I85 S90 A91 F92 W141 | V84-I88 HydrophobicContact CG1-CD1 3.78Å; V84-I88 HydrophobicContact CG1-CG1 4.23Å; V84-I88 WeakPolarHBondContact O-CG1 3.46Å; V84-I88 PolarHBondContact O-N 3.42Å; I85-I88 PolarHBondContact O-N 3.09Å; I88-S90 PolarHBondContact O-N 3.39Å; I88-A91 PolarHBondContact O-N 3.4Å; I88-F92 HydrophobicContact CG2-CD2 3.67Å; I88-F92 HydrophobicContact CG2-CE2 4.05Å; I88-F92 WeakPolarHBondContact O-CB 3.46Å; I88-F92 WeakPolarHBondContact O-CD2 3.2Å; I88-F92 PolarHBondContact O-N 3.16Å; I88-W141 HydrophobicContact CG2-CH2 3.96Å; I88-W141 HydrophobicContact CG2-CZ2 3.79Å |
| 89 | A | 95.1 | Very high | 93.7 | Very high | 36 Ų | 36 | 60.8 Ų | 60.8 | 30% | 0.298 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.1 | -48.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | C44 I85 F93 | C44-A89 HydrophobicContact CB-CB 4.32Å; I85-A89 PolarHBondContact O-N 2.89Å; A89-F93 WeakPolarHBondContact O-CB 3.14Å; A89-F93 PolarHBondContact O-N 3.39Å; A89-F93 VanDerWaalsContact O-N 3.1Å |
| 90 | S | 95.5 | Very high | 93.7 | Very high | 73 Ų | 73 | 60.8 Ų | 60.8 | 51% | 0.51 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.3 | -42.7 | 179.8 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | Y86 G87 I88 F93 V94 | Y86-S90 PolarHBondContact O-N 3.01Å; Y86-S90 PolarHBondContact O-OG 3.49Å; Y86-S90 VanDerWaalsContact O-OG 3.06Å; G87-S90 PolarHBondContact O-OG 2.67Å; G87-S90 VanDerWaalsContact O-OG 3.06Å; I88-S90 PolarHBondContact O-N 3.39Å; S90-F93 PolarHBondContact O-N 3Å; S90-V94 PolarHBondContact O-N 3.43Å |
| 91 | A | 95.6 | Very high | 93.6 | Very high | 58 Ų | 58 | 58.8 Ų | 58.8 | 48% | 0.479 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G87 I88 F93 V94 Y95 | G87-A91 VanDerWaalsContact O-CB 3.26Å; G87-A91 WeakPolarHBondContact O-CB 3.43Å; G87-A91 PolarHBondContact O-N 3.47Å; I88-A91 PolarHBondContact O-N 3.4Å; A91-F93 VanDerWaalsContact C-N 3.35Å; A91-V94 PolarHBondContact O-N 3.22Å; A91-Y95 WeakPolarHBondContact O-CB 3.49Å; A91-Y95 PolarHBondContact O-N 3.47Å |
| 92 | F | 96.2 | Very high | 93.3 | Very high | 16 Ų | 16 | 56 Ų | 56 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -74.2 | -24.8 | -180 | -82.4 | -76.5 | 0 | 0 | 0 | 113.5 | L36 V40 I88 Y95 G96 F137 W141 M228 | L36-F92 HydrophobicContact CD1-CD1 4.33Å; V40-F92 HydrophobicContact CG1-CB 4.15Å; V40-F92 HydrophobicContact CG2-CB 3.98Å; V40-F92 HydrophobicContact CG2-CG 4.25Å; I88-F92 HydrophobicContact CG2-CD2 3.67Å; I88-F92 HydrophobicContact CG2-CE2 4.05Å; I88-F92 WeakPolarHBondContact O-CB 3.46Å; I88-F92 WeakPolarHBondContact O-CD2 3.2Å; I88-F92 PolarHBondContact O-N 3.16Å; F92-Y95 HydrophobicContact CD1-CD1 4.06Å; F92-Y95 HydrophobicContact CE1-CD1 4.11Å; F92-G96 PolarHBondContact O-N 2.87Å; F92-F137 HydrophobicContact CE1-CB 4.18Å; F92-F137 HydrophobicContact CE1-CD1 4.35Å; F92-F137 HydrophobicContact CE1-CD2 4.1Å; F92-F137 AromaticContact CE1-CG 3.98Å; F92-F137 HydrophobicContact CE1-CG 3.98Å; F92-F137 HydrophobicContact CZ-CB 4.2Å; F92-F137 AromaticContact CZ-CD1 3.8Å; F92-F137 HydrophobicContact CZ-CD1 3.8Å; F92-F137 HydrophobicContact CZ-CD2 4.35Å; F92-F137 HydrophobicContact CZ-CE1 4.21Å; F92-F137 AromaticContact CZ-CG 3.88Å; F92-F137 HydrophobicContact CZ-CG 3.88Å; F92-W141 AromaticContact CD1-NE1 3.94Å; F92-W141 AromaticContact CD2-CZ2 3.93Å; F92-W141 HydrophobicContact CD2-CZ2 3.93Å; F92-W141 AromaticContact CE1-NE1 3.34Å; F92-W141 VanDerWaalsContact CE1-NE1 3.34Å; F92-W141 AromaticContact CE2-CE2 3.93Å; F92-W141 AromaticContact CE2-CZ2 3.89Å; F92-W141 HydrophobicContact CE2-CZ2 3.89Å; F92-W141 AromaticContact CE2-NE1 3.46Å; F92-W141 HydrophobicContact CG-CZ2 4.39Å; F92-W141 AromaticContact CZ-CD1 3.87Å; F92-W141 AromaticContact CZ-CE2 3.97Å; F92-W141 HydrophobicContact CZ-CZ2 4.37Å; F92-W141 AromaticContact CZ-NE1 3.05Å; F92-M228 HydrophobicContact CD1-CE 3.63Å; F92-M228 HydrophobicContact CE1-CE 3.19Å; F92-M228 HydrophobicContact CZ-CE 4.23Å |
| 93 | F | 94.9 | Very high | 92.9 | Very high | 117 Ų | 117 | 54.5 Ų | 54.5 | 51% | 0.513 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.4 | -51.6 | 169.1 | -178.1 | -103.1 | 0 | 0 | 0 | 111 | Y37 A89 S90 A91 Y95 G96 I97 | Y37-F93 HydrophobicContact CE1-CD2 4.32Å; Y37-F93 HydrophobicContact CE2-CD2 4.36Å; Y37-F93 HydrophobicContact CE2-CE2 4.35Å; Y37-F93 PolarHBondContact OH-O 3.38Å; A89-F93 WeakPolarHBondContact O-CB 3.14Å; A89-F93 PolarHBondContact O-N 3.39Å; A89-F93 VanDerWaalsContact O-N 3.1Å; S90-F93 PolarHBondContact O-N 3Å; A91-F93 VanDerWaalsContact C-N 3.35Å; F93-Y95 VanDerWaalsContact C-N 3.31Å; F93-Y95 PolarHBondContact O-N 2.92Å; F93-G96 PolarHBondContact O-N 3.49Å; F93-I97 HydrophobicContact CD1-CD1 4.24Å; F93-I97 HydrophobicContact CE1-CD1 3.78Å; F93-I97 HydrophobicContact CZ-CD1 4.09Å; F93-I97 WeakPolarHBondContact O-CG1 3.26Å; F93-I97 PolarHBondContact O-N 3.41Å |
| 94 | V | 96.3 | Very high | 92.2 | Very high | 84 Ų | 84 | 49.2 Ų | 49.2 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 176.5 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | S90 A91 G96 I97 L98 | S90-V94 PolarHBondContact O-N 3.43Å; A91-V94 PolarHBondContact O-N 3.22Å; V94-G96 PolarHBondContact O-N 2.83Å; V94-I97 PolarHBondContact O-N 3.3Å; V94-L98 HydrophobicContact CG1-CD1 4.38Å; V94-L98 WeakPolarHBondContact O-CG 3.38Å; V94-L98 PolarHBondContact O-N 3.06Å; V94-L98 VanDerWaalsContact O-N 3.07Å |
| 95 | Y | 95.2 | Very high | 91.2 | Very high | 13 Ų | 13 | 50.9 Ų | 50.9 | 5% | 0.051 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 179.8 | -171.4 | -120.7 | 0 | 0 | 0 | 113.1 | A91 F92 F93 I97 L98 L99 F130 L133 T134 F137 M228 | A91-Y95 WeakPolarHBondContact O-CB 3.49Å; A91-Y95 PolarHBondContact O-N 3.47Å; F92-Y95 HydrophobicContact CD1-CD1 4.06Å; F92-Y95 HydrophobicContact CE1-CD1 4.11Å; F93-Y95 VanDerWaalsContact C-N 3.31Å; F93-Y95 PolarHBondContact O-N 2.92Å; Y95-I97 VanDerWaalsContact C-N 3.31Å; Y95-I97 PolarHBondContact O-N 2.92Å; Y95-L98 PolarHBondContact O-N 3.46Å; Y95-L99 HydrophobicContact CD1-CD1 3.86Å; Y95-L99 HydrophobicContact CD1-CG 4.37Å; Y95-L99 HydrophobicContact CE1-CD1 3.35Å; Y95-L99 HydrophobicContact CE1-CD2 4.49Å; Y95-L99 HydrophobicContact CE1-CG 3.96Å; Y95-L99 HydrophobicContact CE2-CD1 4.41Å; Y95-L99 HydrophobicContact CE2-CD2 4.28Å; Y95-L99 HydrophobicContact CE2-CG 4.12Å; Y95-L99 WeakPolarHBondContact O-CG 3.29Å; Y95-L99 PolarHBondContact O-N 2.93Å; Y95-F130 HydrophobicContact CE2-CD1 4.25Å; Y95-F130 HydrophobicContact CE2-CE1 4.4Å; Y95-L133 HydrophobicContact CD2-CD2 4.1Å; Y95-L133 HydrophobicContact CE2-CD2 3.35Å; Y95-T134 WeakPolarHBondContact OH-CA 3.26Å; Y95-T134 PolarHBondContact OH-N 2.97Å; Y95-T134 PolarHBondContact OH-OG1 3.25Å; Y95-F137 HydrophobicContact CD1-CD2 4.05Å; Y95-F137 HydrophobicContact CD1-CE2 4.15Å; Y95-F137 HydrophobicContact CD2-CE2 4.26Å; Y95-F137 AromaticContact CE1-CD2 3.59Å; Y95-F137 HydrophobicContact CE1-CD2 3.59Å; Y95-F137 AromaticContact CE1-CE2 3.98Å; Y95-F137 HydrophobicContact CE1-CE2 3.98Å; Y95-F137 HydrophobicContact CE2-CD2 4.46Å; Y95-F137 HydrophobicContact CE2-CE2 4.15Å; Y95-F137 HydrophobicContact CG-CE2 4.27Å; Y95-F137 AromaticContact CZ-CD2 3.82Å; Y95-F137 AromaticContact CZ-CE2 3.98Å; Y95-M228 HydrophobicContact CD1-CE 4.35Å; Y95-M228 HydrophobicContact CE1-CE 4.24Å; Y95-M228 HydrophobicContact CE1-SD 4.37Å |
| 96 | G | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y37 F92 F93 V94 L99 M100 | Y37-G96 VanDerWaalsContact OH-C 3.26Å; F92-G96 PolarHBondContact O-N 2.87Å; F93-G96 PolarHBondContact O-N 3.49Å; V94-G96 PolarHBondContact O-N 2.83Å; G96-L99 PolarHBondContact O-N 3.42Å; G96-M100 VanDerWaalsContact O-CB 3.3Å; G96-M100 WeakPolarHBondContact O-CB 3.29Å; G96-M100 PolarHBondContact O-N 3.5Å |
| 97 | I | 93.6 | Very high | 88.8 | Confident | 72 Ų | 72 | 46 Ų | 46 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 174.1 | -63.2 | 175 | 0 | 0 | 0 | 110.3 | Y37 F93 V94 Y95 L99 M100 V101 | Y37-I97 WeakPolarHBondContact OH-CG1 3.49Å; Y37-I97 PolarHBondContact OH-N 3.15Å; F93-I97 HydrophobicContact CD1-CD1 4.24Å; F93-I97 HydrophobicContact CE1-CD1 3.78Å; F93-I97 HydrophobicContact CZ-CD1 4.09Å; F93-I97 WeakPolarHBondContact O-CG1 3.26Å; F93-I97 PolarHBondContact O-N 3.41Å; V94-I97 PolarHBondContact O-N 3.3Å; Y95-I97 VanDerWaalsContact C-N 3.31Å; Y95-I97 PolarHBondContact O-N 2.92Å; I97-L99 VanDerWaalsContact C-N 3.34Å; I97-L99 PolarHBondContact O-N 3.41Å; I97-M100 PolarHBondContact O-N 3.23Å; I97-V101 HydrophobicContact CG2-CG2 4.29Å; I97-V101 WeakPolarHBondContact O-CB 3.4Å; I97-V101 VanDerWaalsContact O-CG2 3.27Å; I97-V101 WeakPolarHBondContact O-CG2 3.37Å; I97-V101 PolarHBondContact O-N 2.95Å |
| 98 | L | 92.4 | Very high | 86.9 | Confident | 85 Ų | 85 | 46.4 Ų | 46.4 | 45% | 0.445 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 179.2 | -66.6 | 174.5 | 0 | 0 | 0 | 111.8 | V94 Y95 V101 E102 F130 | V94-L98 HydrophobicContact CG1-CD1 4.38Å; V94-L98 WeakPolarHBondContact O-CG 3.38Å; V94-L98 PolarHBondContact O-N 3.06Å; V94-L98 VanDerWaalsContact O-N 3.07Å; Y95-L98 PolarHBondContact O-N 3.46Å; L98-V101 PolarHBondContact O-N 3.18Å; L98-E102 PolarHBondContact O-N 3.39Å; L98-F130 HydrophobicContact CB-CE1 4.1Å; L98-F130 HydrophobicContact CB-CZ 4.35Å |
| 99 | L | 91.6 | Very high | 84.8 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.7 | -37.6 | 176.9 | -71.1 | -178.8 | 0 | 0 | 0 | 112.8 | Y95 G96 I97 E102 G103 F130 Y231 L235 | Y95-L99 HydrophobicContact CD1-CD1 3.86Å; Y95-L99 HydrophobicContact CD1-CG 4.37Å; Y95-L99 HydrophobicContact CE1-CD1 3.35Å; Y95-L99 HydrophobicContact CE1-CD2 4.49Å; Y95-L99 HydrophobicContact CE1-CG 3.96Å; Y95-L99 HydrophobicContact CE2-CD1 4.41Å; Y95-L99 HydrophobicContact CE2-CD2 4.28Å; Y95-L99 HydrophobicContact CE2-CG 4.12Å; Y95-L99 WeakPolarHBondContact O-CG 3.29Å; Y95-L99 PolarHBondContact O-N 2.93Å; G96-L99 PolarHBondContact O-N 3.42Å; I97-L99 VanDerWaalsContact C-N 3.34Å; I97-L99 PolarHBondContact O-N 3.41Å; L99-E102 PolarHBondContact O-N 2.84Å; L99-G103 PolarHBondContact O-N 3.32Å; L99-F130 HydrophobicContact CD2-CD1 4.01Å; L99-Y231 HydrophobicContact CB-CD1 4.02Å; L99-Y231 HydrophobicContact CB-CE1 3.56Å; L99-Y231 HydrophobicContact CD1-CD1 3.93Å; L99-Y231 HydrophobicContact CD1-CD2 3.79Å; L99-Y231 HydrophobicContact CD1-CE1 4.03Å; L99-Y231 HydrophobicContact CD1-CE2 3.89Å; L99-Y231 HydrophobicContact CD1-CG 3.78Å; L99-Y231 HydrophobicContact CG-CD1 4.48Å; L99-Y231 HydrophobicContact CG-CE1 4.42Å; L99-L235 HydrophobicContact CD2-CD1 4.04Å |
| 100 | M | 89 | Confident | 82.8 | Confident | 60 Ų | 60 | 47.8 Ų | 47.8 | 30% | 0.296 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 175.5 | -170.3 | 175.4 | 84.3 | 0 | 0 | 110.7 | T33 G96 I97 E102 G103 F104 | T33-M100 HydrophobicContact CG2-SD 4.24Å; G96-M100 VanDerWaalsContact O-CB 3.3Å; G96-M100 WeakPolarHBondContact O-CB 3.29Å; G96-M100 PolarHBondContact O-N 3.5Å; I97-M100 PolarHBondContact O-N 3.23Å; M100-E102 VanDerWaalsContact C-N 3.34Å; M100-E102 PolarHBondContact O-N 3.06Å; M100-G103 WeakPolarHBondContact O-CA 3.35Å; M100-G103 PolarHBondContact O-N 3.4Å; M100-G103 VanDerWaalsContact O-N 3.1Å; M100-F104 HydrophobicContact CE-CE2 4.08Å; M100-F104 HydrophobicContact CG-CD2 4.03Å; M100-F104 HydrophobicContact CG-CE2 3.71Å; M100-F104 VanDerWaalsContact O-CD2 3.23Å; M100-F104 WeakPolarHBondContact O-CD2 3.29Å; M100-F104 PolarHBondContact O-N 3.03Å; M100-F104 HydrophobicContact SD-CE2 4.19Å |
| 101 | V | 86.8 | Confident | 80.9 | Confident | 59 Ų | 59 | 47.4 Ų | 47.4 | 36% | 0.358 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 175.3 | 167.8 | 0 | 0 | 0 | 0 | 111.2 | I97 L98 G103 F104 F105 | I97-V101 HydrophobicContact CG2-CG2 4.29Å; I97-V101 WeakPolarHBondContact O-CB 3.4Å; I97-V101 VanDerWaalsContact O-CG2 3.27Å; I97-V101 WeakPolarHBondContact O-CG2 3.37Å; I97-V101 PolarHBondContact O-N 2.95Å; L98-V101 PolarHBondContact O-N 3.18Å; V101-G103 VanDerWaalsContact C-N 3.3Å; V101-G103 PolarHBondContact O-N 3.39Å; V101-F104 PolarHBondContact O-N 3.34Å; V101-F105 HydrophobicContact CG1-CD2 3.56Å; V101-F105 HydrophobicContact CG1-CE2 3.19Å; V101-F105 HydrophobicContact CG1-CZ 4.14Å; V101-F105 WeakPolarHBondContact O-CD2 3.48Å; V101-F105 PolarHBondContact O-N 3.48Å |
| 102 | E | 84.4 | Confident | 78.8 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 173.6 | -175.5 | 176.7 | -172.6 | 0 | 0 | 112.4 | L98 L99 M100 F105 T106 K118 S127 F130 L235 | L98-E102 PolarHBondContact O-N 3.39Å; L99-E102 PolarHBondContact O-N 2.84Å; M100-E102 VanDerWaalsContact C-N 3.34Å; M100-E102 PolarHBondContact O-N 3.06Å; E102-F105 PolarHBondContact O-N 3.01Å; E102-T106 PolarHBondContact O-N 3.17Å; E102-T106 PolarHBondContact O-OG1 3.05Å; E102-K118 IonicContact OE1-NZ 3.59Å; E102-S127 WeakPolarHBondContact OE1-CB 3.44Å; E102-S127 PolarHBondContact OE1-OG 3.39Å; E102-F130 WeakPolarHBondContact OE2-CB 3.08Å; E102-F130 VanDerWaalsContact OE2-CD2 3.23Å; E102-F130 WeakPolarHBondContact OE2-CD2 3.33Å; E102-F130 WeakPolarHBondContact OE2-CG 3.14Å; E102-L235 HydrophobicContact CG-CD2 4.1Å; E102-L235 WeakPolarHBondContact OE2-CD2 3.12Å |
| 103 | G | 83.5 | Confident | 76.6 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.6 | -47.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | L99 M100 V101 T106 S107 | L99-G103 PolarHBondContact O-N 3.32Å; M100-G103 WeakPolarHBondContact O-CA 3.35Å; M100-G103 PolarHBondContact O-N 3.4Å; M100-G103 VanDerWaalsContact O-N 3.1Å; V101-G103 VanDerWaalsContact C-N 3.3Å; V101-G103 PolarHBondContact O-N 3.39Å; G103-T106 PolarHBondContact O-N 2.75Å; G103-S107 PolarHBondContact O-N 3.33Å |
| 104 | F | 79.7 | Confident | 74.5 | Confident | 62 Ų | 62 | 61.1 Ų | 61.1 | 27% | 0.272 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 178.5 | -82.3 | -72.8 | 0 | 0 | 0 | 112.2 | I25 P26 M100 V101 T106 S107 I110 | I25-F104 HydrophobicContact CG2-CE1 4.49Å; P26-F104 HydrophobicContact CG-CD1 3.92Å; P26-F104 HydrophobicContact CG-CD2 4.15Å; P26-F104 HydrophobicContact CG-CE1 4.07Å; P26-F104 HydrophobicContact CG-CE2 4.28Å; P26-F104 HydrophobicContact CG-CG 3.95Å; P26-F104 HydrophobicContact CG-CZ 4.24Å; M100-F104 HydrophobicContact CE-CE2 4.08Å; M100-F104 HydrophobicContact CG-CD2 4.03Å; M100-F104 HydrophobicContact CG-CE2 3.71Å; M100-F104 VanDerWaalsContact O-CD2 3.23Å; M100-F104 WeakPolarHBondContact O-CD2 3.29Å; M100-F104 PolarHBondContact O-N 3.03Å; M100-F104 HydrophobicContact SD-CE2 4.19Å; V101-F104 PolarHBondContact O-N 3.34Å; F104-T106 PolarHBondContact O-N 3.18Å; F104-T106 VanDerWaalsContact O-N 3.16Å; F104-S107 PolarHBondContact O-N 3.19Å; F104-I110 HydrophobicContact CB-CD1 4.16Å |
| 105 | F | 74 | Confident | 72.2 | Confident | 114 Ų | 114 | 59.1 Ų | 59.1 | 50% | 0.5 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.9 | -18.7 | 176.6 | -75 | -51.3 | 0 | 0 | 0 | 113.9 | V101 E102 | V101-F105 HydrophobicContact CG1-CD2 3.56Å; V101-F105 HydrophobicContact CG1-CE2 3.19Å; V101-F105 HydrophobicContact CG1-CZ 4.14Å; V101-F105 WeakPolarHBondContact O-CD2 3.48Å; V101-F105 PolarHBondContact O-N 3.48Å; E102-F105 PolarHBondContact O-N 3.01Å |
| 106 | T | 66.8 | Low | 70.2 | Confident | 9 Ų | 9 | 63.6 Ų | 63.6 | 6% | 0.055 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -95.6 | -23.2 | 176.9 | -41.8 | 0 | 0 | 0 | 0 | 113.1 | E102 G103 F104 K118 N238 | E102-T106 PolarHBondContact O-N 3.17Å; E102-T106 PolarHBondContact O-OG1 3.05Å; G103-T106 PolarHBondContact O-N 2.75Å; F104-T106 PolarHBondContact O-N 3.18Å; F104-T106 VanDerWaalsContact O-N 3.16Å; T106-K118 PolarHBondContact OG1-NZ 3.07Å; T106-N238 HydrophobicContact CG2-CB 3.55Å; T106-N238 VanDerWaalsContact CG2-OD1 3.32Å; T106-N238 WeakPolarHBondContact CG2-OD1 3.27Å |
| 107 | S | 69.4 | Low | 68.1 | Low | 21 Ų | 21 | 70.3 Ų | 70.3 | 15% | 0.147 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -66.2 | 143.5 | 177.8 | -166.5 | 0 | 0 | 0 | 0 | 111.9 | G24 G103 F104 A109 I110 | G24-S107 WeakPolarHBondContact O-CB 3.4Å; G24-S107 PolarHBondContact O-OG 3.21Å; G103-S107 PolarHBondContact O-N 3.33Å; F104-S107 PolarHBondContact O-N 3.19Å; S107-A109 VanDerWaalsContact C-N 3.26Å; S107-A109 PolarHBondContact O-N 3.45Å; S107-A109 VanDerWaalsContact O-N 3.14Å; S107-I110 PolarHBondContact O-N 3.39Å |
| 108 | G | 55.3 | Low | 66.2 | Low | 47 Ų | 47 | 68.8 Ų | 68.8 | 49% | 0.485 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.8 | -23.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | I110 K111 | G108-I110 VanDerWaalsContact C-N 3.34Å; G108-I110 PolarHBondContact O-N 3.25Å; G108-K111 PolarHBondContact O-N 3.38Å |
| 109 | A | 51.6 | Low | 64.5 | Low | 48 Ų | 48 | 67 Ų | 67 | 40% | 0.397 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -73.9 | -19 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | S107 | S107-A109 VanDerWaalsContact C-N 3.26Å; S107-A109 PolarHBondContact O-N 3.45Å; S107-A109 VanDerWaalsContact O-N 3.14Å |
| 110 | I | 54.1 | Low | 63.1 | Low | 55 Ų | 55 | 69.9 Ų | 69.9 | 28% | 0.282 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -102.5 | -10.7 | 178.8 | -57 | 176.7 | 0 | 0 | 0 | 111.3 | F104 S107 G108 D112 L113 Y114 | F104-I110 HydrophobicContact CB-CD1 4.16Å; S107-I110 PolarHBondContact O-N 3.39Å; G108-I110 VanDerWaalsContact C-N 3.34Å; G108-I110 PolarHBondContact O-N 3.25Å; I110-D112 VanDerWaalsContact C-N 3.32Å; I110-D112 PolarHBondContact O-N 3.1Å; I110-L113 PolarHBondContact O-N 2.92Å; I110-Y114 PolarHBondContact O-N 3.5Å |
| 111 | K | 53.6 | Low | 61.7 | Low | 65 Ų | 65 | 72.5 Ų | 72.5 | 28% | 0.283 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.2 | -37.5 | 177.2 | -88.2 | -178.7 | 178.1 | 142.3 | 0 | 113.3 | G108 L113 G115 Y241 | G108-K111 PolarHBondContact O-N 3.38Å; K111-L113 PolarHBondContact O-N 3.41Å; K111-G115 WeakPolarHBondContact O-CA 3.29Å; K111-G115 PolarHBondContact O-N 3.43Å; K111-Y241 PolarHBondContact NZ-OH 3.04Å; K111-Y241 VanDerWaalsContact NZ-OH 3.16Å |
| 112 | D | 51.7 | Low | 60.7 | Low | 162 Ų | 162 | 73.5 Ų | 73.5 | 87% | 0.866 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68.9 | -18.8 | -179.6 | -77.9 | -11.5 | 0 | 0 | 0 | 113.2 | I110 | I110-D112 VanDerWaalsContact C-N 3.32Å; I110-D112 PolarHBondContact O-N 3.1Å |
| 113 | L | 51.4 | Low | 60.1 | Low | 145 Ų | 145 | 73.2 Ų | 73.2 | 76% | 0.759 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -101.6 | -26.3 | -177.1 | -86.9 | 142.9 | 0 | 0 | 0 | 114.1 | I110 K111 | I110-L113 PolarHBondContact O-N 2.92Å; K111-L113 PolarHBondContact O-N 3.41Å |
| 114 | Y | 50.4 | Low | 59.6 | Low | 171 Ų | 171 | 77.1 Ų | 77.1 | 67% | 0.671 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -129.4 | 20 | -174.9 | -98.7 | -93.6 | 0 | 0 | 0 | 113.5 | I110 D116 F117 | I110-Y114 PolarHBondContact O-N 3.5Å; Y114-D116 PolarHBondContact O-N 2.86Å; Y114-F117 PolarHBondContact O-N 3.47Å |
| 115 | G | 47.8 | Very low | 59.6 | Low | 42 Ų | 42 | 77.5 Ų | 77.5 | 43% | 0.433 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -12.9 | -161.1 | 0 | 0 | 0 | 0 | 0 | 120 | K111 I119 | K111-G115 WeakPolarHBondContact O-CA 3.29Å; K111-G115 PolarHBondContact O-N 3.43Å; G115-I119 WeakPolarHBondContact O-CD1 3.38Å |
| 116 | D | 52.1 | Low | 60 | Low | 108 Ų | 108 | 75.4 Ų | 75.4 | 58% | 0.578 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | -18.3 | -177.2 | -86.3 | -40.7 | 0 | 0 | 0 | 115.4 | Y114 K118 I119 T120 | Y114-D116 PolarHBondContact O-N 2.86Å; D116-K118 PolarHBondContact O-N 3.4Å; D116-I119 PolarHBondContact O-N 2.94Å; D116-T120 WeakPolarHBondContact O-CG2 3.2Å; D116-T120 PolarHBondContact O-N 3.46Å |
| 117 | F | 51.3 | Low | 60.8 | Low | 140 Ų | 140 | 75 Ų | 75 | 61% | 0.614 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -39.6 | -168.5 | -170.5 | -101.6 | 0 | 0 | 0 | 113.4 | Y114 I119 T120 | Y114-F117 PolarHBondContact O-N 3.47Å; F117-I119 VanDerWaalsContact C-N 3.34Å; F117-T120 PolarHBondContact O-N 3.2Å; F117-T120 PolarHBondContact O-OG1 2.9Å |
| 118 | K | 53.4 | Low | 61.7 | Low | 41 Ų | 41 | 75.9 Ų | 75.9 | 18% | 0.178 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -17.5 | -179 | -136.5 | -174.7 | -172.7 | -166.8 | 0 | 113.4 | E102 T106 D116 V242 | E102-K118 IonicContact OE1-NZ 3.59Å; T106-K118 PolarHBondContact OG1-NZ 3.07Å; D116-K118 PolarHBondContact O-N 3.4Å; K118-V242 HydrophobicContact CD-CG2 4.21Å |
| 119 | I | 56.4 | Low | 63.3 | Low | 48 Ų | 48 | 81.7 Ų | 81.7 | 25% | 0.246 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -19.2 | 177.8 | -50 | 172.4 | 0 | 0 | 0 | 111.2 | G115 D116 F117 C246 | G115-I119 WeakPolarHBondContact O-CD1 3.38Å; D116-I119 PolarHBondContact O-N 2.94Å; F117-I119 VanDerWaalsContact C-N 3.34Å; I119-C246 HydrophobicContact CG2-CB 4.06Å |
| 120 | T | 62.3 | Low | 65.2 | Low | 61 Ų | 61 | 81.4 Ų | 81.4 | 37% | 0.374 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -61.6 | 150.4 | 169.2 | 73.5 | 0 | 0 | 0 | 0 | 112 | D116 F117 C122 G123 R124 | D116-T120 WeakPolarHBondContact O-CG2 3.2Å; D116-T120 PolarHBondContact O-N 3.46Å; F117-T120 PolarHBondContact O-N 3.2Å; F117-T120 PolarHBondContact O-OG1 2.9Å; T120-C122 PolarHBondContact O-N 2.88Å; T120-C122 VanDerWaalsContact O-N 3.09Å; T120-G123 PolarHBondContact O-N 3.13Å; T120-G123 VanDerWaalsContact O-N 3.07Å; T120-R124 PolarHBondContact O-N 3.44Å |
| 121 | T | 60.6 | Low | 67.1 | Low | 115 Ų | 115 | 80.8 Ų | 80.8 | 71% | 0.706 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -52.3 | -33.6 | 177 | -51.4 | 0 | 0 | 0 | 0 | 112.6 | R124 C125 | T121-R124 PolarHBondContact O-N 2.92Å; T121-C125 PolarHBondContact O-N 3.44Å; T121-C125 VanDerWaalsContact O-N 3.14Å; T121-C125 PolarHBondContact O-SG 3.43Å; T121-C125 VanDerWaalsContact O-SG 3.41Å |
| 122 | C | 65.3 | Low | 69 | Low | 79 Ų | 79 | 82.9 Ų | 82.9 | 53% | 0.534 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.3 | -43.5 | 178.7 | -169.7 | 0 | 0 | 0 | 0 | 112.5 | T120 R124 C125 V126 | T120-C122 PolarHBondContact O-N 2.88Å; T120-C122 VanDerWaalsContact O-N 3.09Å; C122-R124 VanDerWaalsContact C-N 3.26Å; C122-R124 PolarHBondContact O-N 2.87Å; C122-C125 PolarHBondContact O-N 3.42Å; C122-V126 WeakPolarHBondContact O-CG2 3.25Å; C122-V126 PolarHBondContact O-N 2.89Å |
| 123 | G | 70.6 | Confident | 71 | Confident | 4 Ų | 4 | 78 Ų | 78 | 4% | 0.041 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.1 | -33 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T120 S127 | T120-G123 PolarHBondContact O-N 3.13Å; T120-G123 VanDerWaalsContact O-N 3.07Å; G123-S127 PolarHBondContact O-N 3.49Å |
| 124 | R | 73.6 | Confident | 73.1 | Confident | 82 Ų | 82 | 71.1 Ų | 71.1 | 31% | 0.309 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.8 | -42.3 | 173.7 | -66.2 | 178.6 | 62.2 | -168.1 | -5.1 | 112.1 | T120 T121 C122 V126 S127 A128 W239 V242 | T120-R124 PolarHBondContact O-N 3.44Å; T121-R124 PolarHBondContact O-N 2.92Å; C122-R124 VanDerWaalsContact C-N 3.26Å; C122-R124 PolarHBondContact O-N 2.87Å; R124-V126 VanDerWaalsContact C-N 3.27Å; R124-V126 PolarHBondContact O-N 2.85Å; R124-S127 PolarHBondContact O-N 3.19Å; R124-A128 WeakPolarHBondContact O-CB 3.48Å; R124-A128 PolarHBondContact O-N 3.38Å; R124-W239 HydrophobicContact CB-CH2 3.95Å; R124-W239 HydrophobicContact CB-CZ3 3.91Å; R124-W239 HydrophobicContact CG-CZ3 4.44Å; R124-W239 WeakPolarHBondContact O-CH2 3.48Å; R124-W239 WeakPolarHBondContact O-CZ3 3.48Å; R124-V242 HydrophobicContact CG-CG1 4.12Å |
| 125 | C | 79.6 | Confident | 75.3 | Confident | 71 Ų | 71 | 68.9 Ų | 68.9 | 48% | 0.48 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59 | -43.1 | 173.9 | -69.4 | 0 | 0 | 0 | 0 | 111.2 | T121 C122 A128 W129 | T121-C125 PolarHBondContact O-N 3.44Å; T121-C125 VanDerWaalsContact O-N 3.14Å; T121-C125 PolarHBondContact O-SG 3.43Å; T121-C125 VanDerWaalsContact O-SG 3.41Å; C122-C125 PolarHBondContact O-N 3.42Å; C125-A128 PolarHBondContact O-N 3.33Å; C125-W129 WeakPolarHBondContact O-CB 3.39Å; C125-W129 VanDerWaalsContact O-CD1 3.25Å; C125-W129 PolarHBondContact O-N 2.87Å |
| 126 | V | 83.1 | Confident | 77.7 | Confident | 69 Ų | 69 | 70.9 Ų | 70.9 | 42% | 0.418 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 179 | 173.9 | 0 | 0 | 0 | 0 | 112.1 | C122 R124 A128 W129 F130 | C122-V126 WeakPolarHBondContact O-CG2 3.25Å; C122-V126 PolarHBondContact O-N 2.89Å; R124-V126 VanDerWaalsContact C-N 3.27Å; R124-V126 PolarHBondContact O-N 2.85Å; V126-A128 PolarHBondContact O-N 3.25Å; V126-W129 WeakPolarHBondContact O-CB 3.26Å; V126-W129 PolarHBondContact O-N 3.03Å; V126-F130 HydrophobicContact CG1-CD2 3.84Å; V126-F130 HydrophobicContact CG1-CE2 3.55Å; V126-F130 VanDerWaalsContact O-CD2 3.26Å; V126-F130 WeakPolarHBondContact O-CD2 3.43Å; V126-F130 PolarHBondContact O-N 2.94Å |
| 127 | S | 83.7 | Confident | 79.8 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.014 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.1 | -36.5 | 179.6 | -165.1 | 0 | 0 | 0 | 0 | 112.5 | E102 G123 R124 W129 F130 I131 | E102-S127 WeakPolarHBondContact OE1-CB 3.44Å; E102-S127 PolarHBondContact OE1-OG 3.39Å; G123-S127 PolarHBondContact O-N 3.49Å; R124-S127 PolarHBondContact O-N 3.19Å; S127-W129 VanDerWaalsContact C-N 3.32Å; S127-W129 PolarHBondContact O-N 3.48Å; S127-F130 PolarHBondContact O-N 3.23Å; S127-I131 WeakPolarHBondContact O-CG1 3.23Å; S127-I131 PolarHBondContact O-N 2.91Å; S127-I131 VanDerWaalsContact O-N 3.09Å |
| 128 | A | 87 | Confident | 81.9 | Confident | 38 Ų | 38 | 63.1 Ų | 63.1 | 31% | 0.314 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R124 C125 V126 I131 M132 W239 | R124-A128 WeakPolarHBondContact O-CB 3.48Å; R124-A128 PolarHBondContact O-N 3.38Å; C125-A128 PolarHBondContact O-N 3.33Å; V126-A128 PolarHBondContact O-N 3.25Å; A128-I131 PolarHBondContact O-N 2.77Å; A128-M132 PolarHBondContact O-N 3.05Å; A128-W239 HydrophobicContact CB-CH2 3.81Å; A128-W239 HydrophobicContact CB-CZ2 4.49Å; A128-W239 HydrophobicContact CB-CZ3 3.91Å |
| 129 | W | 90.1 | Very high | 84 | Confident | 169 Ų | 169 | 65.2 Ų | 65.2 | 64% | 0.64 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.3 | -44.6 | 174.1 | -98 | 97.6 | 0 | 0 | 0 | 112.1 | C125 V126 S127 I131 M132 L133 | C125-W129 WeakPolarHBondContact O-CB 3.39Å; C125-W129 VanDerWaalsContact O-CD1 3.25Å; C125-W129 PolarHBondContact O-N 2.87Å; V126-W129 WeakPolarHBondContact O-CB 3.26Å; V126-W129 PolarHBondContact O-N 3.03Å; S127-W129 VanDerWaalsContact C-N 3.32Å; S127-W129 PolarHBondContact O-N 3.48Å; W129-I131 VanDerWaalsContact C-N 3.34Å; W129-I131 PolarHBondContact O-N 3.38Å; W129-M132 PolarHBondContact O-N 2.96Å; W129-L133 VanDerWaalsContact O-CB 3.32Å; W129-L133 WeakPolarHBondContact O-CB 3.36Å; W129-L133 PolarHBondContact O-N 3.46Å |
| 130 | F | 91.6 | Very high | 85.9 | Confident | 42 Ų | 42 | 65.4 Ų | 65.4 | 18% | 0.184 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 175.9 | -80.4 | -67.2 | 0 | 0 | 0 | 112.8 | Y95 L98 L99 E102 V126 S127 T134 | Y95-F130 HydrophobicContact CE2-CD1 4.25Å; Y95-F130 HydrophobicContact CE2-CE1 4.4Å; L98-F130 HydrophobicContact CB-CE1 4.1Å; L98-F130 HydrophobicContact CB-CZ 4.35Å; L99-F130 HydrophobicContact CD2-CD1 4.01Å; E102-F130 WeakPolarHBondContact OE2-CB 3.08Å; E102-F130 VanDerWaalsContact OE2-CD2 3.23Å; E102-F130 WeakPolarHBondContact OE2-CD2 3.33Å; E102-F130 WeakPolarHBondContact OE2-CG 3.14Å; V126-F130 HydrophobicContact CG1-CD2 3.84Å; V126-F130 HydrophobicContact CG1-CE2 3.55Å; V126-F130 VanDerWaalsContact O-CD2 3.26Å; V126-F130 WeakPolarHBondContact O-CD2 3.43Å; V126-F130 PolarHBondContact O-N 2.94Å; S127-F130 PolarHBondContact O-N 3.23Å; F130-T134 VanDerWaalsContact O-CB 3.29Å; F130-T134 WeakPolarHBondContact O-CB 3.4Å; F130-T134 PolarHBondContact O-N 2.86Å; F130-T134 PolarHBondContact O-OG1 3.47Å |
| 131 | I | 92.4 | Very high | 87.6 | Confident | 42 Ų | 42 | 62.9 Ų | 62.9 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.7 | -49.7 | 173.8 | -68.9 | 163.5 | 0 | 0 | 0 | 110.7 | S127 A128 W129 L133 T134 Y135 L232 L235 W239 | S127-I131 WeakPolarHBondContact O-CG1 3.23Å; S127-I131 PolarHBondContact O-N 2.91Å; S127-I131 VanDerWaalsContact O-N 3.09Å; A128-I131 PolarHBondContact O-N 2.77Å; W129-I131 VanDerWaalsContact C-N 3.34Å; W129-I131 PolarHBondContact O-N 3.38Å; I131-L133 PolarHBondContact O-N 3.46Å; I131-T134 PolarHBondContact O-N 3.14Å; I131-Y135 WeakPolarHBondContact O-CB 3.08Å; I131-Y135 PolarHBondContact O-N 3.34Å; I131-L232 HydrophobicContact CG2-CD2 4.32Å; I131-L235 HydrophobicContact CD1-CB 4.43Å; I131-L235 HydrophobicContact CG1-CB 3.72Å; I131-L235 HydrophobicContact CG1-CD1 4.38Å; I131-W239 HydrophobicContact CD1-CB 3.77Å; I131-W239 HydrophobicContact CD1-CD2 4.34Å; I131-W239 HydrophobicContact CD1-CE3 4.48Å; I131-W239 HydrophobicContact CD1-CG 4.06Å |
| 132 | M | 93.9 | Very high | 89.3 | Confident | 110 Ų | 110 | 61.9 Ų | 61.9 | 54% | 0.542 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 179.2 | -175.6 | -163.3 | 178.1 | 0 | 0 | 111.3 | A128 W129 Y135 I136 | A128-M132 PolarHBondContact O-N 3.05Å; W129-M132 PolarHBondContact O-N 2.96Å; M132-Y135 WeakPolarHBondContact O-CB 3.33Å; M132-Y135 PolarHBondContact O-N 3.29Å; M132-I136 HydrophobicContact CE-CD1 4.04Å; M132-I136 HydrophobicContact CG-CD1 4.26Å; M132-I136 WeakPolarHBondContact O-CG1 3.22Å; M132-I136 PolarHBondContact O-N 2.86Å |
| 133 | L | 94.8 | Very high | 90.8 | Very high | 59 Ų | 59 | 59.3 Ų | 59.3 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.3 | -44.6 | -178.7 | -162.8 | 93.3 | 0 | 0 | 0 | 111.5 | Y95 W129 I131 Y135 I136 F137 | Y95-L133 HydrophobicContact CD2-CD2 4.1Å; Y95-L133 HydrophobicContact CE2-CD2 3.35Å; W129-L133 VanDerWaalsContact O-CB 3.32Å; W129-L133 WeakPolarHBondContact O-CB 3.36Å; W129-L133 PolarHBondContact O-N 3.46Å; I131-L133 PolarHBondContact O-N 3.46Å; L133-Y135 PolarHBondContact O-N 2.87Å; L133-I136 PolarHBondContact O-N 3.43Å; L133-F137 HydrophobicContact CD1-CE2 4.49Å; L133-F137 HydrophobicContact CD2-CD2 4.18Å; L133-F137 HydrophobicContact CD2-CE2 3.49Å; L133-F137 VanDerWaalsContact CD2-CE2 3.49Å; L133-F137 HydrophobicContact CD2-CZ 4.25Å; L133-F137 HydrophobicContact CG-CD2 4.12Å; L133-F137 HydrophobicContact CG-CE2 3.68Å; L133-F137 HydrophobicContact CG-CZ 4.28Å; L133-F137 WeakPolarHBondContact O-CD2 3.2Å; L133-F137 PolarHBondContact O-N 3.12Å |
| 134 | T | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.1 | -38.4 | 175.9 | -53.4 | 0 | 0 | 0 | 0 | 111 | Y95 F130 I131 F137 M138 M228 L232 L235 | Y95-T134 WeakPolarHBondContact OH-CA 3.26Å; Y95-T134 PolarHBondContact OH-N 2.97Å; Y95-T134 PolarHBondContact OH-OG1 3.25Å; F130-T134 VanDerWaalsContact O-CB 3.29Å; F130-T134 WeakPolarHBondContact O-CB 3.4Å; F130-T134 PolarHBondContact O-N 2.86Å; F130-T134 PolarHBondContact O-OG1 3.47Å; I131-T134 PolarHBondContact O-N 3.14Å; T134-F137 PolarHBondContact O-N 2.99Å; T134-M138 WeakPolarHBondContact O-CB 3.49Å; T134-M138 PolarHBondContact O-N 3.28Å; T134-M228 HydrophobicContact CG2-CB 4.46Å; T134-M228 HydrophobicContact CG2-SD 3.84Å; T134-L232 HydrophobicContact CG2-CD2 3.99Å; T134-L232 HydrophobicContact CG2-CG 3.84Å; T134-L235 WeakPolarHBondContact OG1-CD1 3.38Å |
| 135 | Y | 96.3 | Very high | 93.1 | Very high | 124 Ų | 124 | 58.8 Ų | 58.8 | 49% | 0.486 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 177.1 | -175.8 | -100.2 | 0 | 0 | 0 | 112.3 | I131 M132 L133 F137 M138 L139 L232 | I131-Y135 WeakPolarHBondContact O-CB 3.08Å; I131-Y135 PolarHBondContact O-N 3.34Å; M132-Y135 WeakPolarHBondContact O-CB 3.33Å; M132-Y135 PolarHBondContact O-N 3.29Å; L133-Y135 PolarHBondContact O-N 2.87Å; Y135-F137 VanDerWaalsContact C-N 3.34Å; Y135-F137 PolarHBondContact O-N 3Å; Y135-M138 HydrophobicContact CE2-CE 4.46Å; Y135-M138 WeakPolarHBondContact O-CB 3.48Å; Y135-M138 PolarHBondContact O-N 3.11Å; Y135-L139 HydrophobicContact CD1-CD1 4.14Å; Y135-L139 HydrophobicContact CE1-CD1 3.63Å; Y135-L139 HydrophobicContact CE1-CG 4.28Å; Y135-L139 PolarHBondContact O-N 3.35Å; Y135-L139 VanDerWaalsContact O-N 3.08Å; Y135-L232 HydrophobicContact CD2-CD1 4.08Å |
| 136 | I | 97.1 | Very high | 93.9 | Very high | 84 Ų | 84 | 58 Ų | 58 | 43% | 0.431 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 174.8 | -68 | 166.5 | 0 | 0 | 0 | 110.4 | M132 L133 M138 L139 A140 | M132-I136 HydrophobicContact CE-CD1 4.04Å; M132-I136 HydrophobicContact CG-CD1 4.26Å; M132-I136 WeakPolarHBondContact O-CG1 3.22Å; M132-I136 PolarHBondContact O-N 2.86Å; L133-I136 PolarHBondContact O-N 3.43Å; I136-M138 VanDerWaalsContact C-N 3.34Å; I136-M138 PolarHBondContact O-N 3.49Å; I136-L139 PolarHBondContact O-N 3.38Å; I136-A140 PolarHBondContact O-N 2.89Å |
| 137 | F | 96.3 | Very high | 94.3 | Very high | 61 Ų | 61 | 62 Ų | 62 | 27% | 0.268 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66 | -35.1 | 177.1 | -70.8 | -40.9 | 0 | 0 | 0 | 113.1 | F92 Y95 L133 T134 Y135 L139 A140 W141 M228 | F92-F137 HydrophobicContact CE1-CB 4.18Å; F92-F137 HydrophobicContact CE1-CD1 4.35Å; F92-F137 HydrophobicContact CE1-CD2 4.1Å; F92-F137 AromaticContact CE1-CG 3.98Å; F92-F137 HydrophobicContact CE1-CG 3.98Å; F92-F137 HydrophobicContact CZ-CB 4.2Å; F92-F137 AromaticContact CZ-CD1 3.8Å; F92-F137 HydrophobicContact CZ-CD1 3.8Å; F92-F137 HydrophobicContact CZ-CD2 4.35Å; F92-F137 HydrophobicContact CZ-CE1 4.21Å; F92-F137 AromaticContact CZ-CG 3.88Å; F92-F137 HydrophobicContact CZ-CG 3.88Å; Y95-F137 HydrophobicContact CD1-CD2 4.05Å; Y95-F137 HydrophobicContact CD1-CE2 4.15Å; Y95-F137 HydrophobicContact CD2-CE2 4.26Å; Y95-F137 AromaticContact CE1-CD2 3.59Å; Y95-F137 HydrophobicContact CE1-CD2 3.59Å; Y95-F137 AromaticContact CE1-CE2 3.98Å; Y95-F137 HydrophobicContact CE1-CE2 3.98Å; Y95-F137 HydrophobicContact CE2-CD2 4.46Å; Y95-F137 HydrophobicContact CE2-CE2 4.15Å; Y95-F137 HydrophobicContact CG-CE2 4.27Å; Y95-F137 AromaticContact CZ-CD2 3.82Å; Y95-F137 AromaticContact CZ-CE2 3.98Å; L133-F137 HydrophobicContact CD1-CE2 4.49Å; L133-F137 HydrophobicContact CD2-CD2 4.18Å; L133-F137 HydrophobicContact CD2-CE2 3.49Å; L133-F137 VanDerWaalsContact CD2-CE2 3.49Å; L133-F137 HydrophobicContact CD2-CZ 4.25Å; L133-F137 HydrophobicContact CG-CD2 4.12Å; L133-F137 HydrophobicContact CG-CE2 3.68Å; L133-F137 HydrophobicContact CG-CZ 4.28Å; L133-F137 WeakPolarHBondContact O-CD2 3.2Å; L133-F137 PolarHBondContact O-N 3.12Å; T134-F137 PolarHBondContact O-N 2.99Å; Y135-F137 VanDerWaalsContact C-N 3.34Å; Y135-F137 PolarHBondContact O-N 3Å; F137-L139 VanDerWaalsContact C-N 3.32Å; F137-L139 PolarHBondContact O-N 2.76Å; F137-A140 PolarHBondContact O-N 2.61Å; F137-W141 WeakPolarHBondContact O-CB 3.47Å; F137-W141 VanDerWaalsContact O-CD1 3.22Å; F137-W141 PolarHBondContact O-N 3.44Å; F137-M228 HydrophobicContact CB-CE 4.06Å; F137-M228 HydrophobicContact CB-SD 4.45Å |
| 138 | M | 96.6 | Very high | 94.8 | Very high | 24 Ų | 24 | 62.7 Ų | 62.7 | 12% | 0.118 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 172.6 | -174.5 | -131.8 | 66.8 | 0 | 0 | 111.1 | T134 Y135 I136 W141 L142 M228 I229 L232 | T134-M138 WeakPolarHBondContact O-CB 3.49Å; T134-M138 PolarHBondContact O-N 3.28Å; Y135-M138 HydrophobicContact CE2-CE 4.46Å; Y135-M138 WeakPolarHBondContact O-CB 3.48Å; Y135-M138 PolarHBondContact O-N 3.11Å; I136-M138 VanDerWaalsContact C-N 3.34Å; I136-M138 PolarHBondContact O-N 3.49Å; M138-W141 PolarHBondContact O-N 2.89Å; M138-L142 WeakPolarHBondContact O-CB 3.34Å; M138-L142 PolarHBondContact O-N 3.05Å; M138-M228 HydrophobicContact CB-CB 3.84Å; M138-M228 HydrophobicContact CG-CB 4.07Å; M138-I229 HydrophobicContact CG-CG1 4.15Å; M138-I229 HydrophobicContact SD-CG1 4.19Å; M138-L232 HydrophobicContact CB-CD1 4.28Å; M138-L232 HydrophobicContact CG-CD1 4.4Å; M138-L232 HydrophobicContact SD-CD1 4.16Å |
| 139 | L | 97.3 | Very high | 95.1 | Very high | 85 Ų | 85 | 63.3 Ų | 63.3 | 45% | 0.445 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 175.9 | -68.5 | 175.2 | 0 | 0 | 0 | 111.8 | Y135 I136 F137 L142 G143 | Y135-L139 HydrophobicContact CD1-CD1 4.14Å; Y135-L139 HydrophobicContact CE1-CD1 3.63Å; Y135-L139 HydrophobicContact CE1-CG 4.28Å; Y135-L139 PolarHBondContact O-N 3.35Å; Y135-L139 VanDerWaalsContact O-N 3.08Å; I136-L139 PolarHBondContact O-N 3.38Å; F137-L139 VanDerWaalsContact C-N 3.32Å; F137-L139 PolarHBondContact O-N 2.76Å; L139-L142 WeakPolarHBondContact O-CB 3.43Å; L139-L142 PolarHBondContact O-N 2.88Å; L139-G143 PolarHBondContact O-N 2.88Å |
| 140 | A | 96.8 | Very high | 95.2 | Very high | 53 Ų | 53 | 60 Ų | 60 | 44% | 0.438 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I136 F137 L142 G143 V144 | I136-A140 PolarHBondContact O-N 2.89Å; F137-A140 PolarHBondContact O-N 2.61Å; A140-L142 VanDerWaalsContact C-N 3.31Å; A140-L142 PolarHBondContact O-N 2.9Å; A140-G143 CarbonylContact O-C 3.56Å; A140-G143 WeakPolarHBondContact O-CA 3.45Å; A140-G143 PolarHBondContact O-N 3.2Å; A140-G143 VanDerWaalsContact O-N 3.14Å; A140-V144 WeakPolarHBondContact O-CG2 3.29Å; A140-V144 PolarHBondContact O-N 3.25Å |
| 141 | W | 97.3 | Very high | 95 | Very high | 7 Ų | 7 | 59.6 Ų | 59.6 | 3% | 0.027 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.6 | -32.7 | 177 | -84.2 | 107.8 | 0 | 0 | 0 | 113 | V40 F43 I88 F92 F137 M138 V144 T145 A221 A224 V225 | V40-W141 HydrophobicContact CG2-CH2 4.07Å; V40-W141 HydrophobicContact CG2-CZ2 3.7Å; F43-W141 HydrophobicContact CB-CH2 4.38Å; F43-W141 HydrophobicContact CB-CZ3 4.21Å; F43-W141 AromaticContact CD1-CH2 3.69Å; F43-W141 HydrophobicContact CD1-CH2 3.69Å; F43-W141 AromaticContact CD1-CZ3 3.74Å; F43-W141 HydrophobicContact CD1-CZ3 3.74Å; F43-W141 HydrophobicContact CD2-CZ3 4.37Å; F43-W141 HydrophobicContact CE1-CH2 4.28Å; F43-W141 HydrophobicContact CE1-CZ3 4.21Å; F43-W141 HydrophobicContact CG-CH2 4.13Å; F43-W141 AromaticContact CG-CZ3 3.82Å; F43-W141 HydrophobicContact CG-CZ3 3.82Å; I88-W141 HydrophobicContact CG2-CH2 3.96Å; I88-W141 HydrophobicContact CG2-CZ2 3.79Å; F92-W141 AromaticContact CD1-NE1 3.94Å; F92-W141 AromaticContact CD2-CZ2 3.93Å; F92-W141 HydrophobicContact CD2-CZ2 3.93Å; F92-W141 AromaticContact CE1-NE1 3.34Å; F92-W141 VanDerWaalsContact CE1-NE1 3.34Å; F92-W141 AromaticContact CE2-CE2 3.93Å; F92-W141 AromaticContact CE2-CZ2 3.89Å; F92-W141 HydrophobicContact CE2-CZ2 3.89Å; F92-W141 AromaticContact CE2-NE1 3.46Å; F92-W141 HydrophobicContact CG-CZ2 4.39Å; F92-W141 AromaticContact CZ-CD1 3.87Å; F92-W141 AromaticContact CZ-CE2 3.97Å; F92-W141 HydrophobicContact CZ-CZ2 4.37Å; F92-W141 AromaticContact CZ-NE1 3.05Å; F137-W141 WeakPolarHBondContact O-CB 3.47Å; F137-W141 VanDerWaalsContact O-CD1 3.22Å; F137-W141 PolarHBondContact O-N 3.44Å; M138-W141 PolarHBondContact O-N 2.89Å; W141-V144 HydrophobicContact CE3-CB 4.28Å; W141-V144 HydrophobicContact CE3-CG1 4.17Å; W141-V144 HydrophobicContact CZ3-CG1 4.15Å; W141-V144 PolarHBondContact O-N 3.31Å; W141-T145 WeakPolarHBondContact O-CB 3.44Å; W141-T145 PolarHBondContact O-N 3.34Å; W141-T145 PolarHBondContact O-OG1 3.42Å; W141-A221 HydrophobicContact CE3-CB 4.16Å; W141-A221 HydrophobicContact CZ3-CB 4.15Å; W141-A224 HydrophobicContact CD2-CB 3.64Å; W141-A224 HydrophobicContact CE3-CB 3.71Å; W141-A224 HydrophobicContact CG-CB 4.14Å; W141-A224 HydrophobicContact CH2-CB 4.29Å; W141-A224 HydrophobicContact CZ2-CB 4.25Å; W141-A224 HydrophobicContact CZ3-CB 4.03Å; W141-V225 HydrophobicContact CB-CG2 3.65Å |
| 142 | L | 97.1 | Very high | 95 | Very high | 95 Ų | 95 | 58.6 Ų | 58.6 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 171.3 | -166.2 | 160.7 | 0 | 0 | 0 | 110.4 | M138 L139 A140 T145 A146 | M138-L142 WeakPolarHBondContact O-CB 3.34Å; M138-L142 PolarHBondContact O-N 3.05Å; L139-L142 WeakPolarHBondContact O-CB 3.43Å; L139-L142 PolarHBondContact O-N 2.88Å; A140-L142 VanDerWaalsContact C-N 3.31Å; A140-L142 PolarHBondContact O-N 2.9Å; L142-T145 WeakPolarHBondContact O-CB 3.45Å; L142-T145 PolarHBondContact O-N 2.95Å; L142-A146 PolarHBondContact O-N 3.43Å |
| 143 | G | 96.5 | Very high | 94.9 | Very high | 24 Ų | 24 | 59.5 Ų | 59.5 | 25% | 0.247 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.6 | -49.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L139 A140 T145 A146 F147 | L139-G143 PolarHBondContact O-N 2.88Å; A140-G143 CarbonylContact O-C 3.56Å; A140-G143 WeakPolarHBondContact O-CA 3.45Å; A140-G143 PolarHBondContact O-N 3.2Å; A140-G143 VanDerWaalsContact O-N 3.14Å; G143-T145 VanDerWaalsContact C-N 3.29Å; G143-T145 PolarHBondContact O-N 3.26Å; G143-A146 WeakPolarHBondContact O-CB 3.24Å; G143-A146 PolarHBondContact O-N 3.37Å; G143-A146 VanDerWaalsContact O-N 3.12Å; G143-F147 WeakPolarHBondContact O-CD2 3.36Å; G143-F147 PolarHBondContact O-N 2.93Å |
| 144 | V | 95.8 | Very high | 94.5 | Very high | 40 Ų | 40 | 58.2 Ų | 58.2 | 24% | 0.242 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.3 | -42.4 | 176.8 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | F43 A140 W141 A146 F147 T148 A221 | F43-V144 HydrophobicContact CD2-CG1 4.35Å; F43-V144 HydrophobicContact CE1-CG1 4.08Å; F43-V144 HydrophobicContact CE2-CG1 3.53Å; F43-V144 HydrophobicContact CZ-CG1 3.36Å; A140-V144 WeakPolarHBondContact O-CG2 3.29Å; A140-V144 PolarHBondContact O-N 3.25Å; W141-V144 HydrophobicContact CE3-CB 4.28Å; W141-V144 HydrophobicContact CE3-CG1 4.17Å; W141-V144 HydrophobicContact CZ3-CG1 4.15Å; W141-V144 PolarHBondContact O-N 3.31Å; V144-A146 PolarHBondContact O-N 2.98Å; V144-F147 PolarHBondContact O-N 2.87Å; V144-T148 VanDerWaalsContact O-CB 3.29Å; V144-T148 WeakPolarHBondContact O-CB 3.48Å; V144-T148 PolarHBondContact O-N 3.48Å; V144-T148 PolarHBondContact O-OG1 2.96Å; V144-A221 HydrophobicContact CG1-CB 4.32Å |
| 145 | T | 95.8 | Very high | 94 | Very high | 35 Ų | 35 | 59.2 Ų | 59.2 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 176.6 | -56.2 | 0 | 0 | 0 | 0 | 110.8 | W141 L142 G143 T148 S149 L218 | W141-T145 WeakPolarHBondContact O-CB 3.44Å; W141-T145 PolarHBondContact O-N 3.34Å; W141-T145 PolarHBondContact O-OG1 3.42Å; L142-T145 WeakPolarHBondContact O-CB 3.45Å; L142-T145 PolarHBondContact O-N 2.95Å; G143-T145 VanDerWaalsContact C-N 3.29Å; G143-T145 PolarHBondContact O-N 3.26Å; T145-T148 PolarHBondContact O-N 2.85Å; T145-S149 PolarHBondContact O-N 3.29Å; T145-S149 VanDerWaalsContact O-N 3.11Å; T145-L218 HydrophobicContact CG2-CD1 3.75Å; T145-L218 VanDerWaalsContact O-CD1 3.24Å; T145-L218 WeakPolarHBondContact O-CD1 3.2Å |
| 146 | A | 96 | Very high | 93.5 | Very high | 56 Ų | 56 | 58.4 Ų | 58.4 | 46% | 0.463 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L142 G143 V144 T148 S149 | L142-A146 PolarHBondContact O-N 3.43Å; G143-A146 WeakPolarHBondContact O-CB 3.24Å; G143-A146 PolarHBondContact O-N 3.37Å; G143-A146 VanDerWaalsContact O-N 3.12Å; V144-A146 PolarHBondContact O-N 2.98Å; A146-T148 PolarHBondContact O-N 3.33Å; A146-S149 WeakPolarHBondContact O-CB 3.44Å; A146-S149 PolarHBondContact O-N 3.47Å; A146-S149 PolarHBondContact O-OG 3.48Å |
| 147 | F | 92.6 | Very high | 93 | Very high | 151 Ų | 151 | 56.9 Ų | 56.9 | 66% | 0.662 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.6 | -38.1 | 177.7 | -76.7 | -67.4 | 0 | 0 | 0 | 112.9 | G143 V144 S149 L150 P151 | G143-F147 WeakPolarHBondContact O-CD2 3.36Å; G143-F147 PolarHBondContact O-N 2.93Å; V144-F147 PolarHBondContact O-N 2.87Å; F147-S149 PolarHBondContact O-N 2.89Å; F147-L150 HydrophobicContact CD1-CD1 4.29Å; F147-L150 WeakPolarHBondContact O-CB 3.25Å; F147-L150 PolarHBondContact O-N 2.89Å; F147-P151 VanDerWaalsContact O-CD 3.29Å; F147-P151 WeakPolarHBondContact O-CD 3.22Å |
| 148 | T | 93.2 | Very high | 92.3 | Very high | 17 Ų | 17 | 54.9 Ų | 54.9 | 10% | 0.104 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.9 | -20.9 | 179 | -51.8 | 0 | 0 | 0 | 0 | 112.1 | F43 V144 T145 A146 L150 P151 V152 L218 | F43-T148 HydrophobicContact CE2-CG2 4.27Å; F43-T148 WeakPolarHBondContact CE2-OG1 3.47Å; V144-T148 VanDerWaalsContact O-CB 3.29Å; V144-T148 WeakPolarHBondContact O-CB 3.48Å; V144-T148 PolarHBondContact O-N 3.48Å; V144-T148 PolarHBondContact O-OG1 2.96Å; T145-T148 PolarHBondContact O-N 2.85Å; A146-T148 PolarHBondContact O-N 3.33Å; T148-L150 PolarHBondContact O-N 3.36Å; T148-P151 VanDerWaalsContact O-CD 3.25Å; T148-P151 WeakPolarHBondContact O-CD 3.45Å; T148-P151 VanDerWaalsContact O-CG 3.29Å; T148-P151 WeakPolarHBondContact O-CG 3.43Å; T148-V152 WeakPolarHBondContact O-CG2 3.45Å; T148-L218 HydrophobicContact CG2-CB 4.18Å; T148-L218 HydrophobicContact CG2-CD1 4.42Å |
| 149 | S | 93.9 | Very high | 91.6 | Very high | 51 Ų | 51 | 56.9 Ų | 56.9 | 36% | 0.357 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.5 | -23.9 | 173.1 | 77.5 | 0 | 0 | 0 | 0 | 113.5 | T145 A146 F147 V152 F153 | T145-S149 PolarHBondContact O-N 3.29Å; T145-S149 VanDerWaalsContact O-N 3.11Å; A146-S149 WeakPolarHBondContact O-CB 3.44Å; A146-S149 PolarHBondContact O-N 3.47Å; A146-S149 PolarHBondContact O-OG 3.48Å; F147-S149 PolarHBondContact O-N 2.89Å; S149-V152 PolarHBondContact O-N 3.2Å; S149-F153 WeakPolarHBondContact O-CB 3.46Å; S149-F153 PolarHBondContact O-N 3.03Å |
| 150 | L | 91.5 | Very high | 90.9 | Very high | 99 Ų | 99 | 55.2 Ų | 55.2 | 52% | 0.518 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.9 | -55.2 | 179.2 | -61.8 | 175.3 | 0 | 0 | 0 | 113 | F147 T148 V152 F153 I154 | F147-L150 HydrophobicContact CD1-CD1 4.29Å; F147-L150 WeakPolarHBondContact O-CB 3.25Å; F147-L150 PolarHBondContact O-N 2.89Å; T148-L150 PolarHBondContact O-N 3.36Å; L150-V152 VanDerWaalsContact C-N 3.29Å; L150-V152 PolarHBondContact O-N 3.07Å; L150-F153 PolarHBondContact O-N 3.19Å; L150-I154 WeakPolarHBondContact O-CG1 3.41Å; L150-I154 PolarHBondContact O-N 2.67Å |
| 151 | P | 88.9 | Confident | 90.1 | Very high | 35 Ų | 35 | 54.5 Ų | 54.5 | 23% | 0.227 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.3 | -36.6 | 176 | 23.6 | -33.6 | 0 | 0 | 0 | 111.9 | F147 T148 F153 I154 Y155 F214 | F147-P151 VanDerWaalsContact O-CD 3.29Å; F147-P151 WeakPolarHBondContact O-CD 3.22Å; T148-P151 VanDerWaalsContact O-CD 3.25Å; T148-P151 WeakPolarHBondContact O-CD 3.45Å; T148-P151 VanDerWaalsContact O-CG 3.29Å; T148-P151 WeakPolarHBondContact O-CG 3.43Å; P151-F153 VanDerWaalsContact C-N 3.32Å; P151-F153 PolarHBondContact O-N 2.68Å; P151-I154 PolarHBondContact O-N 3.26Å; P151-Y155 WeakPolarHBondContact O-CD2 3.38Å; P151-Y155 PolarHBondContact O-N 3.44Å; P151-F214 HydrophobicContact CB-CD1 3.93Å; P151-F214 HydrophobicContact CB-CE1 3.77Å; P151-F214 HydrophobicContact CB-CE2 4.44Å; P151-F214 HydrophobicContact CB-CG 4.36Å; P151-F214 HydrophobicContact CB-CZ 4.05Å; P151-F214 HydrophobicContact CG-CD1 3.92Å; P151-F214 HydrophobicContact CG-CE1 3.89Å |
| 152 | V | 92.1 | Very high | 89.4 | Confident | 21 Ų | 21 | 54.9 Ų | 54.9 | 13% | 0.127 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58 | -46.3 | 174.1 | 174.6 | 0 | 0 | 0 | 0 | 111 | T148 S149 L150 Y155 F156 F214 V215 L218 | T148-V152 WeakPolarHBondContact O-CG2 3.45Å; S149-V152 PolarHBondContact O-N 3.2Å; L150-V152 VanDerWaalsContact C-N 3.29Å; L150-V152 PolarHBondContact O-N 3.07Å; V152-Y155 PolarHBondContact O-N 2.98Å; V152-F156 WeakPolarHBondContact O-CB 3.27Å; V152-F156 PolarHBondContact O-N 3.41Å; V152-F214 HydrophobicContact CG2-CB 3.83Å; V152-F214 WeakPolarHBondContact CG2-O 3.44Å; V152-V215 HydrophobicContact CG1-CG2 4.03Å; V152-L218 HydrophobicContact CG1-CD2 4.47Å; V152-L218 HydrophobicContact CG2-CB 4.14Å; V152-L218 HydrophobicContact CG2-CD2 4.14Å |
| 153 | F | 90.6 | Very high | 88.5 | Confident | 128 Ų | 128 | 55.9 Ų | 55.9 | 56% | 0.561 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.1 | -43.9 | 177.4 | 179.8 | -103.6 | 0 | 0 | 0 | 111.8 | S149 L150 P151 F156 N157 | S149-F153 WeakPolarHBondContact O-CB 3.46Å; S149-F153 PolarHBondContact O-N 3.03Å; L150-F153 PolarHBondContact O-N 3.19Å; P151-F153 VanDerWaalsContact C-N 3.32Å; P151-F153 PolarHBondContact O-N 2.68Å; F153-F156 PolarHBondContact O-N 3.38Å; F153-N157 VanDerWaalsContact CE1-ND2 3.26Å; F153-N157 WeakPolarHBondContact CE1-ND2 3.28Å; F153-N157 WeakPolarHBondContact CE2-ND2 3.5Å; F153-N157 WeakPolarHBondContact CZ-ND2 3.25Å; F153-N157 PolarHBondContact O-N 2.96Å; F153-N157 PolarHBondContact O-ND2 3.31Å |
| 154 | I | 87 | Confident | 87.5 | Confident | 33 Ų | 33 | 58.5 Ų | 58.5 | 17% | 0.169 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.3 | -51.7 | 178.4 | -65.7 | 167.7 | 0 | 0 | 0 | 110.6 | L150 P151 F156 N157 I158 Y180 | L150-I154 WeakPolarHBondContact O-CG1 3.41Å; L150-I154 PolarHBondContact O-N 2.67Å; P151-I154 PolarHBondContact O-N 3.26Å; I154-F156 VanDerWaalsContact C-N 3.31Å; I154-F156 PolarHBondContact O-N 3.44Å; I154-N157 PolarHBondContact O-N 3.24Å; I154-I158 HydrophobicContact CG2-CD1 4Å; I154-I158 WeakPolarHBondContact O-CG1 3.33Å; I154-I158 PolarHBondContact O-N 2.96Å; I154-Y180 HydrophobicContact CD1-CD1 4.02Å; I154-Y180 HydrophobicContact CD1-CG 4.46Å; I154-Y180 HydrophobicContact CG1-CD1 3.81Å; I154-Y180 HydrophobicContact CG1-CE1 4.27Å; I154-Y180 HydrophobicContact CG2-CD1 4.08Å; I154-Y180 HydrophobicContact CG2-CE1 4.29Å; I154-Y180 HydrophobicContact CG2-CG 4.34Å |
| 155 | Y | 85.5 | Confident | 86.2 | Confident | 20 Ų | 20 | 57 Ų | 57 | 8% | 0.078 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.1 | -35.6 | 179.4 | -86.1 | -92.2 | 0 | 0 | 0 | 112.4 | T54 I57 P151 V152 N157 I158 W159 L207 T210 F214 | T54-Y155 WeakPolarHBondContact CA-OH 3.38Å; T54-Y155 WeakPolarHBondContact CB-OH 3.22Å; T54-Y155 PolarHBondContact OG1-OH 3.03Å; I57-Y155 HydrophobicContact CD1-CE1 4.04Å; P151-Y155 WeakPolarHBondContact O-CD2 3.38Å; P151-Y155 PolarHBondContact O-N 3.44Å; V152-Y155 PolarHBondContact O-N 2.98Å; Y155-N157 VanDerWaalsContact C-N 3.34Å; Y155-N157 PolarHBondContact O-N 3.34Å; Y155-I158 PolarHBondContact O-N 3.32Å; Y155-W159 VanDerWaalsContact O-CB 3.29Å; Y155-W159 WeakPolarHBondContact O-CB 3.45Å; Y155-W159 PolarHBondContact O-N 3.45Å; Y155-L207 HydrophobicContact CD1-CD1 3.99Å; Y155-L207 HydrophobicContact CE1-CD1 3.85Å; Y155-T210 HydrophobicContact CD1-CG2 4.39Å; Y155-T210 HydrophobicContact CE1-CG2 3.6Å; Y155-T210 HydrophobicContact CE2-CG2 4.31Å; Y155-T210 WeakPolarHBondContact OH-CG2 3.44Å; Y155-F214 AromaticContact CD2-CD2 3.77Å; Y155-F214 HydrophobicContact CD2-CD2 3.77Å; Y155-F214 AromaticContact CD2-CE2 3.84Å; Y155-F214 HydrophobicContact CD2-CE2 3.84Å; Y155-F214 AromaticContact CE2-CD2 3.78Å; Y155-F214 HydrophobicContact CE2-CD2 3.78Å; Y155-F214 AromaticContact CE2-CE2 3.36Å; Y155-F214 HydrophobicContact CE2-CE2 3.36Å; Y155-F214 HydrophobicContact CE2-CZ 4.31Å; Y155-F214 HydrophobicContact CG-CD2 4.36Å; Y155-F214 AromaticContact CZ-CE2 3.91Å |
| 156 | F | 86.8 | Confident | 84.5 | Confident | 107 Ų | 107 | 60.3 Ų | 60.3 | 47% | 0.469 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 174 | -179.8 | -99.3 | 0 | 0 | 0 | 112.3 | V152 F153 I154 T160 F211 | V152-F156 WeakPolarHBondContact O-CB 3.27Å; V152-F156 PolarHBondContact O-N 3.41Å; F153-F156 PolarHBondContact O-N 3.38Å; I154-F156 VanDerWaalsContact C-N 3.31Å; I154-F156 PolarHBondContact O-N 3.44Å; F156-T160 WeakPolarHBondContact O-CB 3.43Å; F156-T160 PolarHBondContact O-N 2.87Å; F156-T160 PolarHBondContact O-OG1 3Å; F156-F211 HydrophobicContact CB-CE2 3.97Å; F156-F211 HydrophobicContact CD2-CE2 4.26Å; F156-F211 HydrophobicContact CD2-CZ 4.1Å |
| 157 | N | 85.6 | Confident | 82.6 | Confident | 52 Ų | 52 | 64.2 Ų | 64.2 | 28% | 0.278 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 175.8 | -78.3 | -81.8 | 0 | 0 | 0 | 111.3 | F153 I154 Y155 T160 I161 | F153-N157 VanDerWaalsContact CE1-ND2 3.26Å; F153-N157 WeakPolarHBondContact CE1-ND2 3.28Å; F153-N157 WeakPolarHBondContact CE2-ND2 3.5Å; F153-N157 WeakPolarHBondContact CZ-ND2 3.25Å; F153-N157 PolarHBondContact O-N 2.96Å; F153-N157 PolarHBondContact O-ND2 3.31Å; I154-N157 PolarHBondContact O-N 3.24Å; Y155-N157 VanDerWaalsContact C-N 3.34Å; Y155-N157 PolarHBondContact O-N 3.34Å; N157-T160 PolarHBondContact O-N 3.29Å; N157-I161 WeakPolarHBondContact O-CD1 3.33Å; N157-I161 VanDerWaalsContact O-CG1 3.25Å; N157-I161 WeakPolarHBondContact O-CG1 3.3Å; N157-I161 PolarHBondContact O-N 3.34Å |
| 158 | I | 81.9 | Confident | 80.9 | Confident | 20 Ų | 20 | 59.3 Ų | 59.3 | 10% | 0.103 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 176.9 | -62.9 | 169.3 | 0 | 0 | 0 | 110.6 | I154 Y155 T160 I161 C162 L175 M201 L207 | I154-I158 HydrophobicContact CG2-CD1 4Å; I154-I158 WeakPolarHBondContact O-CG1 3.33Å; I154-I158 PolarHBondContact O-N 2.96Å; Y155-I158 PolarHBondContact O-N 3.32Å; I158-T160 PolarHBondContact O-N 3.47Å; I158-I161 WeakPolarHBondContact O-CB 3.27Å; I158-I161 PolarHBondContact O-N 3.28Å; I158-C162 PolarHBondContact O-N 2.89Å; I158-C162 PolarHBondContact O-SG 3.05Å; I158-L175 HydrophobicContact CG1-CD2 4Å; I158-L175 HydrophobicContact CG2-CD1 4.33Å; I158-M201 HydrophobicContact CG2-CE 4.22Å; I158-L207 HydrophobicContact CG2-CD1 4.24Å; I158-L207 HydrophobicContact CG2-CD2 4.15Å |
| 159 | W | 82.4 | Confident | 79 | Confident | 65 Ų | 65 | 66.3 Ų | 66.3 | 25% | 0.246 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.2 | -46.4 | 176.1 | 178.3 | -99.3 | 0 | 0 | 0 | 112 | Y155 I161 C162 Q163 D208 | Y155-W159 VanDerWaalsContact O-CB 3.29Å; Y155-W159 WeakPolarHBondContact O-CB 3.45Å; Y155-W159 PolarHBondContact O-N 3.45Å; W159-I161 VanDerWaalsContact C-N 3.31Å; W159-I161 PolarHBondContact O-N 3Å; W159-C162 WeakPolarHBondContact O-CB 3.34Å; W159-C162 PolarHBondContact O-N 3.21Å; W159-C162 VanDerWaalsContact O-N 3.15Å; W159-Q163 HydrophobicContact CZ2-CG 4.43Å; W159-Q163 VanDerWaalsContact CZ2-NE2 3.3Å; W159-Q163 WeakPolarHBondContact O-CG 3.23Å; W159-Q163 PolarHBondContact O-N 3.26Å; W159-D208 HydrophobicContact CH2-CB 4.27Å; W159-D208 WeakPolarHBondContact CH2-OD1 3.46Å; W159-D208 HydrophobicContact CZ3-CB 3.81Å; W159-D208 VanDerWaalsContact CZ3-OD1 3.23Å; W159-D208 WeakPolarHBondContact CZ3-OD1 3.38Å |
| 160 | T | 82.1 | Confident | 77.1 | Confident | 51 Ų | 51 | 67.7 Ų | 67.7 | 31% | 0.313 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 178.2 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | F156 N157 I158 Q163 N164 | F156-T160 WeakPolarHBondContact O-CB 3.43Å; F156-T160 PolarHBondContact O-N 2.87Å; F156-T160 PolarHBondContact O-OG1 3Å; N157-T160 PolarHBondContact O-N 3.29Å; I158-T160 PolarHBondContact O-N 3.47Å; T160-Q163 PolarHBondContact O-N 2.85Å; T160-N164 WeakPolarHBondContact O-CB 3.37Å; T160-N164 PolarHBondContact O-N 3.35Å |
| 161 | I | 80.6 | Confident | 75.6 | Confident | 37 Ų | 37 | 67.6 Ų | 67.6 | 19% | 0.19 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 174 | -71.2 | 162.3 | 0 | 0 | 0 | 110.8 | N157 I158 W159 Q163 N164 A165 L173 L175 F198 | N157-I161 WeakPolarHBondContact O-CD1 3.33Å; N157-I161 VanDerWaalsContact O-CG1 3.25Å; N157-I161 WeakPolarHBondContact O-CG1 3.3Å; N157-I161 PolarHBondContact O-N 3.34Å; I158-I161 WeakPolarHBondContact O-CB 3.27Å; I158-I161 PolarHBondContact O-N 3.28Å; W159-I161 VanDerWaalsContact C-N 3.31Å; W159-I161 PolarHBondContact O-N 3Å; I161-Q163 PolarHBondContact O-N 3.08Å; I161-N164 PolarHBondContact O-N 3.45Å; I161-A165 PolarHBondContact O-N 3.22Å; I161-L173 HydrophobicContact CD1-CD2 3.8Å; I161-L173 HydrophobicContact CG1-CD2 3.98Å; I161-L173 HydrophobicContact CG2-CD2 3.97Å; I161-L175 HydrophobicContact CD1-CD2 4.26Å; I161-F198 HydrophobicContact CG2-CE2 4.07Å; I161-F198 HydrophobicContact CG2-CZ 3.84Å |
| 162 | C | 81 | Confident | 74.5 | Confident | 16 Ų | 16 | 71.7 Ų | 71.7 | 11% | 0.108 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 176.6 | -74.9 | 0 | 0 | 0 | 0 | 112.6 | I158 W159 A165 C202 | I158-C162 PolarHBondContact O-N 2.89Å; I158-C162 PolarHBondContact O-SG 3.05Å; W159-C162 WeakPolarHBondContact O-CB 3.34Å; W159-C162 PolarHBondContact O-N 3.21Å; W159-C162 VanDerWaalsContact O-N 3.15Å; C162-A165 WeakPolarHBondContact O-CB 3.26Å; C162-A165 PolarHBondContact O-N 3.47Å; C162-C202 WeakPolarHBondContact CA-SG 3.42Å; C162-C202 HydrophobicContact CB-CB 3.51Å; C162-C202 WeakPolarHBondContact CB-SG 3.29Å; C162-C202 WeakPolarHBondContact SG-CA 3.34Å; C162-C202 WeakPolarHBondContact SG-CB 3.14Å; C162-C202 CovalentContact SG-SG 2.04Å; C162-C202 PolarHBondContact SG-SG 2.88Å |
| 163 | Q | 78.4 | Confident | 73.5 | Confident | 115 Ų | 115 | 74.1 Ų | 74.1 | 54% | 0.537 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.7 | -37.1 | 178.1 | -69.5 | -67.2 | -32.9 | 0 | 0 | 112.6 | W159 T160 I161 A165 | W159-Q163 HydrophobicContact CZ2-CG 4.43Å; W159-Q163 VanDerWaalsContact CZ2-NE2 3.3Å; W159-Q163 WeakPolarHBondContact O-CG 3.23Å; W159-Q163 PolarHBondContact O-N 3.26Å; T160-Q163 PolarHBondContact O-N 2.85Å; I161-Q163 PolarHBondContact O-N 3.08Å; Q163-A165 VanDerWaalsContact C-N 3.34Å |
| 164 | N | 76.3 | Confident | 72.8 | Confident | 80 Ų | 80 | 70.3 Ų | 70.3 | 43% | 0.428 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 8.1 | -179.9 | -74.3 | -13.6 | 0 | 0 | 0 | 113.9 | T160 I161 T166 I167 L168 | T160-N164 WeakPolarHBondContact O-CB 3.37Å; T160-N164 PolarHBondContact O-N 3.35Å; I161-N164 PolarHBondContact O-N 3.45Å; N164-T166 PolarHBondContact O-N 3.01Å; N164-I167 PolarHBondContact O-N 3.31Å; N164-L168 PolarHBondContact O-N 2.97Å |
| 165 | A | 68.8 | Low | 72.2 | Confident | 8 Ų | 8 | 69.2 Ų | 69.2 | 7% | 0.066 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -28.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | I161 C162 Q163 I167 L168 F198 | I161-A165 PolarHBondContact O-N 3.22Å; C162-A165 WeakPolarHBondContact O-CB 3.26Å; C162-A165 PolarHBondContact O-N 3.47Å; Q163-A165 VanDerWaalsContact C-N 3.34Å; A165-I167 VanDerWaalsContact C-N 3.34Å; A165-L168 PolarHBondContact O-N 3.41Å; A165-F198 HydrophobicContact CB-CE1 3.97Å; A165-F198 HydrophobicContact CB-CZ 4.44Å |
| 166 | T | 59.4 | Low | 71.6 | Confident | 104 Ų | 104 | 69.1 Ų | 69.1 | 64% | 0.638 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -26.1 | 176.1 | 45.5 | 0 | 0 | 0 | 0 | 113.4 | N164 | N164-T166 PolarHBondContact O-N 3.01Š|
| 167 | I | 57 | Low | 70.8 | Confident | 139 Ų | 139 | 64.5 Ų | 64.5 | 71% | 0.713 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -22.8 | 176.2 | -56.6 | 179 | 0 | 0 | 0 | 110.7 | N164 A165 E169 | N164-I167 PolarHBondContact O-N 3.31Å; A165-I167 VanDerWaalsContact C-N 3.34Å; I167-E169 PolarHBondContact O-N 3.43Å |
| 168 | L | 55.9 | Low | 69.9 | Low | 48 Ų | 48 | 66 Ų | 66 | 25% | 0.251 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 8.7 | 178.1 | -108.3 | 81.2 | 0 | 0 | 0 | 114 | N164 A165 G170 V171 L173 T193 | N164-L168 PolarHBondContact O-N 2.97Å; A165-L168 PolarHBondContact O-N 3.41Å; L168-G170 PolarHBondContact O-N 3.01Å; L168-V171 HydrophobicContact CG-CB 4.33Å; L168-V171 PolarHBondContact O-N 3.1Å; L168-L173 HydrophobicContact CD2-CB 3.71Å; L168-L173 HydrophobicContact CD2-CD2 4.17Å; L168-T193 HydrophobicContact CB-CG2 4.36Å |
| 169 | E | 52.9 | Low | 69.2 | Low | 164 Ų | 164 | 72 Ų | 72 | 77% | 0.766 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 82.4 | 171.5 | -78.1 | -173.8 | 163 | 0 | 0 | 110.6 | I167 | I167-E169 PolarHBondContact O-N 3.43Š|
| 170 | G | 54.3 | Low | 68.5 | Low | 80 Ų | 80 | 73.1 Ų | 73.1 | 83% | 0.825 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 143 | -14.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L168 | L168-G170 PolarHBondContact O-N 3.01Š|
| 171 | V | 60.8 | Low | 67.7 | Low | 97 Ų | 97 | 73.7 Ų | 73.7 | 59% | 0.588 | 42% | 0.417 | S | S | * | . | trans | -120.2 | 117.1 | 178.5 | -177 | 0 | 0 | 0 | 0 | 110 | L168 L173 | L168-V171 HydrophobicContact CG-CB 4.33Å; L168-V171 PolarHBondContact O-N 3.1Å; V171-L173 PolarHBondContact O-N 3.47Å | ||
| 172 | T | 64.2 | Low | 67.1 | Low | 121 Ų | 121 | 73.9 Ų | 73.9 | 74% | 0.742 | 42% | 0.418 | S | S | * | . | trans | -79.9 | 88.3 | 178 | 52.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 173 | L | 72.1 | Confident | 66.1 | Low | 71 Ų | 71 | 73.7 Ų | 73.7 | 37% | 0.372 | 42% | 0.416 | S | S | . | . | trans | -85 | 128 | 170 | -172.3 | 69.6 | 0 | 0 | 0 | 109.8 | I161 L168 V171 C192 T193 | I161-L173 HydrophobicContact CD1-CD2 3.8Å; I161-L173 HydrophobicContact CG1-CD2 3.98Å; I161-L173 HydrophobicContact CG2-CD2 3.97Å; L168-L173 HydrophobicContact CD2-CB 3.71Å; L168-L173 HydrophobicContact CD2-CD2 4.17Å; V171-L173 PolarHBondContact O-N 3.47Å; L173-C192 CarbonylContact O-C 3.41Å; L173-C192 WeakPolarHBondContact O-CA 3.46Å; L173-T193 PolarHBondContact O-N 3.05Å; L173-T193 PolarHBondContact O-OG1 2.7Å; L173-T193 VanDerWaalsContact O-OG1 3.04Å | ||
| 174 | C | 75.3 | Confident | 65.3 | Low | 49 Ų | 49 | 72 Ų | 72 | 33% | 0.331 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.8 | 178.1 | -59.9 | 0 | 0 | 0 | 0 | 110.5 | D176 C192 | C174-D176 PolarHBondContact O-N 2.76Å; C174-C192 HydrophobicContact CB-CB 4.03Å; C174-C192 WeakPolarHBondContact CB-SG 3.4Å; C174-C192 WeakPolarHBondContact SG-CB 3.43Å; C174-C192 CovalentContact SG-SG 2.03Å; C174-C192 PolarHBondContact SG-SG 3.49Å |
| 175 | L | 75.1 | Confident | 64.4 | Low | 9 Ų | 9 | 75.1 Ų | 75.1 | 5% | 0.047 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 110 | 169.4 | -72.6 | 161.9 | 0 | 0 | 0 | 108.1 | F62 I158 I161 T190 V191 F198 M201 | F62-L175 HydrophobicContact CE1-CB 4.33Å; F62-L175 HydrophobicContact CZ-CB 4.34Å; I158-L175 HydrophobicContact CG1-CD2 4Å; I158-L175 HydrophobicContact CG2-CD1 4.33Å; I161-L175 HydrophobicContact CD1-CD2 4.26Å; L175-T190 WeakPolarHBondContact O-CA 3.32Å; L175-V191 PolarHBondContact N-O 3.05Å; L175-V191 PolarHBondContact O-N 3.34Å; L175-F198 HydrophobicContact CD1-CD2 4.15Å; L175-F198 HydrophobicContact CD1-CE2 3.88Å; L175-M201 HydrophobicContact CD1-CE 3.77Å |
| 176 | D | 71.9 | Confident | 63.6 | Low | 19 Ų | 19 | 78.4 Ų | 78.4 | 10% | 0.102 | 47% | 0.465 | C | S | . | . | trans | -107.5 | 110.8 | 173.5 | -169.6 | -20.2 | 0 | 0 | 0 | 109.6 | C174 R178 Q179 T190 | C174-D176 PolarHBondContact O-N 2.76Å; D176-R178 PolarHBondContact O-N 3Å; D176-R178 WeakPolarHBondContact OD1-CB 3.12Å; D176-R178 VanDerWaalsContact OD1-CG 3.23Å; D176-R178 WeakPolarHBondContact OD1-CG 3.49Å; D176-R178 IonicContact OD1-CZ 3.46Å; D176-R178 PolarHBondContact OD1-N 3.46Å; D176-R178 IonicContact OD1-NE 3.57Å; D176-R178 PolarHBondContact OD1-NE 2.95Å; D176-R178 IonicContact OD2-CZ 3.02Å; D176-R178 VanDerWaalsContact OD2-CZ 3.24Å; D176-R178 IonicContact OD2-NE 3.95Å; D176-R178 PolarHBondContact OD2-NE 2.97Å; D176-R178 IonicContact OD2-NH2 2.65Å; D176-R178 PolarHBondContact OD2-NH2 3.36Å; D176-Q179 HydrophobicContact CB-CG 4.1Å; D176-Q179 WeakPolarHBondContact O-CB 3.15Å; D176-Q179 PolarHBondContact O-N 3.29Å; D176-T190 HydrophobicContact CB-CG2 3.64Å; D176-T190 VanDerWaalsContact CG-CG2 3.46Å; D176-T190 WeakPolarHBondContact OD2-CG2 3.29Å | ||
| 177 | P | 69.9 | Low | 63.5 | Low | 9 Ų | 9 | 77.9 Ų | 77.9 | 6% | 0.058 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -62.1 | -16.5 | -179.7 | 24.7 | -31.7 | 0 | 0 | 0 | 113 | F62 Q179 Y180 I182 V183 K189 | F62-P177 HydrophobicContact CD1-CG 3.8Å; F62-P177 HydrophobicContact CE1-CG 4.17Å; P177-Q179 VanDerWaalsContact C-N 3.33Å; P177-Q179 PolarHBondContact O-N 3.49Å; P177-Y180 PolarHBondContact O-N 3.32Å; P177-I182 HydrophobicContact CB-CB 4.17Å; P177-I182 HydrophobicContact CB-CG2 4.36Å; P177-I182 WeakPolarHBondContact O-CB 3.39Å; P177-I182 PolarHBondContact O-N 2.84Å; P177-V183 HydrophobicContact CB-CG2 4.01Å; P177-V183 HydrophobicContact CG-CG2 4.04Å; P177-K189 VanDerWaalsContact CD-O 3.29Å; P177-K189 WeakPolarHBondContact CD-O 3.47Å |
| 178 | R | 67.4 | Low | 63.3 | Low | 85 Ų | 85 | 73.7 Ų | 73.7 | 32% | 0.321 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -66.9 | -32.3 | 174.1 | -60 | 178.2 | -67.6 | -179 | 2.3 | 112.8 | D176 Y180 G181 V183 I185 | D176-R178 PolarHBondContact O-N 3Å; D176-R178 WeakPolarHBondContact OD1-CB 3.12Å; D176-R178 VanDerWaalsContact OD1-CG 3.23Å; D176-R178 WeakPolarHBondContact OD1-CG 3.49Å; D176-R178 IonicContact OD1-CZ 3.46Å; D176-R178 PolarHBondContact OD1-N 3.46Å; D176-R178 IonicContact OD1-NE 3.57Å; D176-R178 PolarHBondContact OD1-NE 2.95Å; D176-R178 IonicContact OD2-CZ 3.02Å; D176-R178 VanDerWaalsContact OD2-CZ 3.24Å; D176-R178 IonicContact OD2-NE 3.95Å; D176-R178 PolarHBondContact OD2-NE 2.97Å; D176-R178 IonicContact OD2-NH2 2.65Å; D176-R178 PolarHBondContact OD2-NH2 3.36Å; R178-Y180 PolarHBondContact O-N 2.98Å; R178-G181 PolarHBondContact O-N 3.32Å; R178-G181 VanDerWaalsContact O-N 3.09Å; R178-V183 HydrophobicContact CG-CB 4.43Å; R178-I185 PolarHBondContact NH1-O 3.07Å |
| 179 | Q | 66.9 | Low | 63.8 | Low | 145 Ų | 145 | 74.4 Ų | 74.4 | 68% | 0.678 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -65.1 | -24.1 | 179.1 | -66.7 | 177.6 | -57.8 | 0 | 0 | 112.3 | D176 P177 | D176-Q179 HydrophobicContact CB-CG 4.1Å; D176-Q179 WeakPolarHBondContact O-CB 3.15Å; D176-Q179 PolarHBondContact O-N 3.29Å; P177-Q179 VanDerWaalsContact C-N 3.33Å; P177-Q179 PolarHBondContact O-N 3.49Å |
| 180 | Y | 68.9 | Low | 64.7 | Low | 89 Ų | 89 | 69.6 Ų | 69.6 | 35% | 0.349 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -98.3 | 4.1 | 179 | -58.2 | -76.2 | 0 | 0 | 0 | 112.7 | I154 P177 R178 I182 | I154-Y180 HydrophobicContact CD1-CD1 4.02Å; I154-Y180 HydrophobicContact CD1-CG 4.46Å; I154-Y180 HydrophobicContact CG1-CD1 3.81Å; I154-Y180 HydrophobicContact CG1-CE1 4.27Å; I154-Y180 HydrophobicContact CG2-CD1 4.08Å; I154-Y180 HydrophobicContact CG2-CE1 4.29Å; I154-Y180 HydrophobicContact CG2-CG 4.34Å; P177-Y180 PolarHBondContact O-N 3.32Å; R178-Y180 PolarHBondContact O-N 2.98Å; Y180-I182 PolarHBondContact O-N 2.87Å |
| 181 | G | 64.8 | Low | 65.6 | Low | 62 Ų | 62 | 66.1 Ų | 66.1 | 64% | 0.639 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 17.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R178 | R178-G181 PolarHBondContact O-N 3.32Å; R178-G181 VanDerWaalsContact O-N 3.09Å |
| 182 | I | 66.9 | Low | 66.5 | Low | 41 Ų | 41 | 63.3 Ų | 63.3 | 21% | 0.21 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -85.1 | -16.6 | -175.3 | -60.7 | 172.4 | 0 | 0 | 0 | 111.6 | L58 V74 P177 Y180 | L58-I182 HydrophobicContact CD1-CG2 4.22Å; L58-I182 HydrophobicContact CD2-CG2 3.81Å; L58-I182 HydrophobicContact CG-CG2 4.41Å; V74-I182 VanDerWaalsContact CB-O 3.23Å; V74-I182 WeakPolarHBondContact CB-O 3.26Å; V74-I182 HydrophobicContact CG1-CG2 4.1Å; V74-I182 WeakPolarHBondContact CG2-O 3.32Å; P177-I182 HydrophobicContact CB-CB 4.17Å; P177-I182 HydrophobicContact CB-CG2 4.36Å; P177-I182 WeakPolarHBondContact O-CB 3.39Å; P177-I182 PolarHBondContact O-N 2.84Å; Y180-I182 PolarHBondContact O-N 2.87Å |
| 183 | V | 61.7 | Low | 66.7 | Low | 12 Ų | 12 | 58.4 Ų | 58.4 | 7% | 0.073 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -144.1 | 140.5 | 178.8 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | V64 P177 R178 E187 | V64-V183 HydrophobicContact CG1-CG2 4.36Å; V64-V183 HydrophobicContact CG2-CG2 4.13Å; P177-V183 HydrophobicContact CB-CG2 4.01Å; P177-V183 HydrophobicContact CG-CG2 4.04Å; R178-V183 HydrophobicContact CG-CB 4.43Å; V183-E187 HydrophobicContact CG1-CB 4.39Å |
| 184 | P | 61.8 | Low | 66.5 | Low | 79 Ų | 79 | 57.6 Ų | 57.6 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | trans | -59.5 | 150.1 | 172.3 | 21.5 | -31.3 | 0 | 0 | 0 | 112.5 | G186 | P184-G186 PolarHBondContact O-N 2.72Š| ||
| 185 | I | 56.4 | Low | 66.6 | Low | 146 Ų | 146 | 57.2 Ų | 57.2 | 75% | 0.749 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -17.3 | -165.3 | -58.5 | 172.7 | 0 | 0 | 0 | 114.1 | R178 | R178-I185 PolarHBondContact NH1-O 3.07Š|
| 186 | G | 52.5 | Low | 66.7 | Low | 78 Ų | 78 | 62.8 Ų | 62.8 | 80% | 0.804 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -19.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | P184 | P184-G186 PolarHBondContact O-N 2.72Š|
| 187 | E | 56 | Low | 66.9 | Low | 92 Ų | 92 | 66 Ų | 66 | 43% | 0.43 | 40% | 0.396 | S | S | . | . | trans | -110.4 | 92.7 | 178.6 | -69.3 | -164.9 | -173.7 | 0 | 0 | 110.8 | V183 K189 | V183-E187 HydrophobicContact CG1-CB 4.39Å; E187-K189 VanDerWaalsContact C-N 3.29Å; E187-K189 PolarHBondContact O-N 3.21Å | ||
| 188 | G | 54.7 | Low | 67.5 | Low | 52 Ų | 52 | 65.6 Ų | 65.6 | 54% | 0.536 | 39% | 0.393 | S | S | . | . | trans | -73.2 | 78.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 189 | K | 65.4 | Low | 68 | Low | 63 Ų | 63 | 66.5 Ų | 66.5 | 27% | 0.274 | 40% | 0.398 | S | S | . | . | trans | -105 | 83.2 | 173.2 | -58 | -159.6 | -176.4 | -164 | 0 | 109.8 | F62 E63 P177 E187 | F62-K189 VanDerWaalsContact O-CB 3.3Å; F62-K189 WeakPolarHBondContact O-CB 3.46Å; F62-K189 WeakPolarHBondContact O-CD 3.46Å; E63-K189 HydrophobicContact CB-CD 4.17Å; E63-K189 PolarHBondContact O-NZ 3.18Å; P177-K189 VanDerWaalsContact CD-O 3.29Å; P177-K189 WeakPolarHBondContact CD-O 3.47Å; E187-K189 VanDerWaalsContact C-N 3.29Å; E187-K189 PolarHBondContact O-N 3.21Å | ||
| 190 | T | 72.3 | Confident | 68.8 | Low | 63 Ų | 63 | 66.2 Ų | 66.2 | 39% | 0.387 | 39% | 0.394 | S | S | . | . | trans | -94.5 | 140.6 | 178.1 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | L175 D176 | L175-T190 WeakPolarHBondContact O-CA 3.32Å; D176-T190 HydrophobicContact CB-CG2 3.64Å; D176-T190 VanDerWaalsContact CG-CG2 3.46Å; D176-T190 WeakPolarHBondContact OD2-CG2 3.29Å | ||
| 191 | V | 73.6 | Confident | 69.5 | Low | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.042 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 111.3 | 175.8 | 176.5 | 0 | 0 | 0 | 0 | 108.4 | F62 L175 F198 | F62-V191 HydrophobicContact CD1-CB 4.39Å; F62-V191 HydrophobicContact CD1-CG2 3.54Å; F62-V191 HydrophobicContact CE1-CB 3.87Å; F62-V191 HydrophobicContact CE1-CG2 3.51Å; F62-V191 HydrophobicContact CG-CG2 4.14Å; F62-V191 HydrophobicContact CZ-CB 4.3Å; F62-V191 HydrophobicContact CZ-CG2 4.08Å; L175-V191 PolarHBondContact N-O 3.05Å; L175-V191 PolarHBondContact O-N 3.34Å; V191-F198 HydrophobicContact CG1-CB 3.77Å; V191-F198 HydrophobicContact CG1-CD2 4.17Å; V191-F198 HydrophobicContact CG1-CG 4.49Å |
| 192 | C | 77.8 | Confident | 70.3 | Confident | 37 Ų | 37 | 60.3 Ų | 60.3 | 25% | 0.25 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 145.2 | -175.5 | -54.5 | 0 | 0 | 0 | 0 | 113.3 | L173 C174 G194 S195 F198 | L173-C192 CarbonylContact O-C 3.41Å; L173-C192 WeakPolarHBondContact O-CA 3.46Å; C174-C192 HydrophobicContact CB-CB 4.03Å; C174-C192 WeakPolarHBondContact CB-SG 3.4Å; C174-C192 WeakPolarHBondContact SG-CB 3.43Å; C174-C192 CovalentContact SG-SG 2.03Å; C174-C192 PolarHBondContact SG-SG 3.49Å; C192-G194 PolarHBondContact O-N 3.41Å; C192-S195 WeakPolarHBondContact O-CB 3.42Å; C192-S195 PolarHBondContact O-N 2.71Å; C192-S195 VanDerWaalsContact O-N 3.08Å; C192-S195 PolarHBondContact O-OG 2.88Å; C192-F198 WeakPolarHBondContact O-CB 3.47Å |
| 193 | T | 70.4 | Confident | 71.2 | Confident | 18 Ų | 18 | 66.6 Ų | 66.6 | 11% | 0.11 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 126.6 | 168 | -51.7 | 0 | 0 | 0 | 0 | 109.1 | L168 L173 F198 | L168-T193 HydrophobicContact CB-CG2 4.36Å; L173-T193 PolarHBondContact O-N 3.05Å; L173-T193 PolarHBondContact O-OG1 2.7Å; L173-T193 VanDerWaalsContact O-OG1 3.04Å; T193-F198 HydrophobicContact CG2-CD1 4.48Å; T193-F198 HydrophobicContact CG2-CE1 4.02Å; T193-F198 HydrophobicContact CG2-CZ 4.41Å |
| 194 | G | 66.7 | Low | 72.2 | Confident | 54 Ų | 54 | 66.8 Ų | 66.8 | 56% | 0.557 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.1 | -9.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | C192 | C192-G194 PolarHBondContact O-N 3.41Š|
| 195 | S | 76.6 | Confident | 73.3 | Confident | 41 Ų | 41 | 68.3 Ų | 68.3 | 29% | 0.287 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -85.5 | 144.1 | 171.4 | 67.8 | 0 | 0 | 0 | 0 | 112 | C192 K197 F198 Y199 | C192-S195 WeakPolarHBondContact O-CB 3.42Å; C192-S195 PolarHBondContact O-N 2.71Å; C192-S195 VanDerWaalsContact O-N 3.08Å; C192-S195 PolarHBondContact O-OG 2.88Å; S195-K197 PolarHBondContact O-N 3.49Å; S195-K197 VanDerWaalsContact O-N 3.14Å; S195-F198 WeakPolarHBondContact O-CB 3.42Å; S195-F198 PolarHBondContact O-N 3.27Å; S195-F198 WeakPolarHBondContact OG-CB 3.21Å; S195-F198 PolarHBondContact OG-N 2.9Å; S195-Y199 WeakPolarHBondContact O-CD2 3.23Å; S195-Y199 PolarHBondContact O-N 3.46Å |
| 196 | D | 78.1 | Confident | 74.7 | Confident | 127 Ų | 127 | 65.2 Ų | 65.2 | 68% | 0.679 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -56 | -32.8 | 175.8 | -68.2 | -24.4 | 0 | 0 | 0 | 112.4 | K200 | D196-K200 WeakPolarHBondContact O-CB 3.44Å; D196-K200 VanDerWaalsContact O-CG 3.28Å; D196-K200 WeakPolarHBondContact O-CG 3.39Å; D196-K200 PolarHBondContact O-N 3.3Å |
| 197 | K | 76.8 | Confident | 76.2 | Confident | 85 Ų | 85 | 61.7 Ų | 61.7 | 37% | 0.37 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66 | -39 | 177.2 | -70.6 | -179.2 | 175.3 | 176.6 | 0 | 112 | E63 S195 M201 | E63-K197 IonicContact OE1-NZ 3.66Å; E63-K197 PolarHBondContact OE1-NZ 3.45Å; E63-K197 IonicContact OE2-NZ 3.2Å; E63-K197 PolarHBondContact OE2-NZ 3.4Å; S195-K197 PolarHBondContact O-N 3.49Å; S195-K197 VanDerWaalsContact O-N 3.14Å; K197-M201 WeakPolarHBondContact O-CB 3.47Å; K197-M201 PolarHBondContact O-N 3.23Å |
| 198 | F | 81.1 | Confident | 77.7 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.6 | -48.1 | 177.1 | 176.5 | -94.3 | 0 | 0 | 0 | 111.3 | I161 A165 L175 V191 C192 T193 S195 K200 M201 C202 | I161-F198 HydrophobicContact CG2-CE2 4.07Å; I161-F198 HydrophobicContact CG2-CZ 3.84Å; A165-F198 HydrophobicContact CB-CE1 3.97Å; A165-F198 HydrophobicContact CB-CZ 4.44Å; L175-F198 HydrophobicContact CD1-CD2 4.15Å; L175-F198 HydrophobicContact CD1-CE2 3.88Å; V191-F198 HydrophobicContact CG1-CB 3.77Å; V191-F198 HydrophobicContact CG1-CD2 4.17Å; V191-F198 HydrophobicContact CG1-CG 4.49Å; C192-F198 WeakPolarHBondContact O-CB 3.47Å; T193-F198 HydrophobicContact CG2-CD1 4.48Å; T193-F198 HydrophobicContact CG2-CE1 4.02Å; T193-F198 HydrophobicContact CG2-CZ 4.41Å; S195-F198 WeakPolarHBondContact O-CB 3.42Å; S195-F198 PolarHBondContact O-N 3.27Å; S195-F198 WeakPolarHBondContact OG-CB 3.21Å; S195-F198 PolarHBondContact OG-N 2.9Å; F198-K200 PolarHBondContact O-N 2.99Å; F198-M201 HydrophobicContact CD2-CE 4.41Å; F198-M201 PolarHBondContact O-N 3.17Å; F198-C202 PolarHBondContact O-N 3.39Å; F198-C202 PolarHBondContact O-SG 2.83Å; F198-C202 VanDerWaalsContact O-SG 3.4Å |
| 199 | Y | 78.9 | Confident | 79.4 | Confident | 105 Ų | 105 | 61.4 Ų | 61.4 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 177.9 | -71.9 | -73.2 | 0 | 0 | 0 | 112 | S195 M201 C202 E203 | S195-Y199 WeakPolarHBondContact O-CD2 3.23Å; S195-Y199 PolarHBondContact O-N 3.46Å; Y199-M201 VanDerWaalsContact C-N 3.28Å; Y199-M201 PolarHBondContact O-N 3.21Å; Y199-C202 PolarHBondContact O-N 3.47Å; Y199-E203 WeakPolarHBondContact O-CB 3.26Å; Y199-E203 PolarHBondContact O-N 2.97Å |
| 200 | K | 83.5 | Confident | 80.6 | Confident | 139 Ų | 139 | 58.6 Ų | 58.6 | 60% | 0.604 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.9 | -31.7 | 175.8 | -74.9 | 178 | 179.9 | 177.8 | 0 | 113.4 | Y61 D196 F198 S204 | Y61-K200 HydrophobicContact CE1-CB 4.13Å; Y61-K200 PolarHBondContact OH-O 3.12Å; D196-K200 WeakPolarHBondContact O-CB 3.44Å; D196-K200 VanDerWaalsContact O-CG 3.28Å; D196-K200 WeakPolarHBondContact O-CG 3.39Å; D196-K200 PolarHBondContact O-N 3.3Å; F198-K200 PolarHBondContact O-N 2.99Å; K200-S204 WeakPolarHBondContact O-CB 3.45Å; K200-S204 PolarHBondContact O-N 3.27Å |
| 201 | M | 83.3 | Confident | 81.4 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.9 | -44 | 174.9 | -172.7 | -176.6 | 68.4 | 0 | 0 | 110.9 | I57 Y61 F62 I158 L175 K197 F198 Y199 S204 | I57-M201 HydrophobicContact CG2-SD 4.4Å; Y61-M201 HydrophobicContact CD1-CB 3.53Å; Y61-M201 HydrophobicContact CD1-CG 4.07Å; Y61-M201 HydrophobicContact CD2-CB 4.46Å; Y61-M201 HydrophobicContact CD2-CG 4.13Å; Y61-M201 VanDerWaalsContact CE1-CA 3.45Å; Y61-M201 HydrophobicContact CE1-CB 3.77Å; Y61-M201 HydrophobicContact CE1-CG 4.4Å; Y61-M201 HydrophobicContact CE2-CG 4.48Å; Y61-M201 HydrophobicContact CG-CB 3.91Å; Y61-M201 HydrophobicContact CG-CG 3.9Å; Y61-M201 HydrophobicContact CG-SD 4.35Å; F62-M201 HydrophobicContact CE2-SD 3.83Å; F62-M201 HydrophobicContact CZ-SD 4.25Å; I158-M201 HydrophobicContact CG2-CE 4.22Å; L175-M201 HydrophobicContact CD1-CE 3.77Å; K197-M201 WeakPolarHBondContact O-CB 3.47Å; K197-M201 PolarHBondContact O-N 3.23Å; F198-M201 HydrophobicContact CD2-CE 4.41Å; F198-M201 PolarHBondContact O-N 3.17Å; Y199-M201 VanDerWaalsContact C-N 3.28Å; Y199-M201 PolarHBondContact O-N 3.21Å; M201-S204 WeakPolarHBondContact O-CB 3.41Å; M201-S204 PolarHBondContact O-N 3.02Å; M201-S204 VanDerWaalsContact O-N 3.16Å; M201-S204 PolarHBondContact O-OG 3.14Å |
| 202 | C | 82.3 | Confident | 82.4 | Confident | 25 Ų | 25 | 60.9 Ų | 60.9 | 17% | 0.169 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.2 | -31.6 | 179.5 | -71.6 | 0 | 0 | 0 | 0 | 113.6 | C162 F198 Y199 S204 | C162-C202 WeakPolarHBondContact CA-SG 3.42Å; C162-C202 HydrophobicContact CB-CB 3.51Å; C162-C202 WeakPolarHBondContact CB-SG 3.29Å; C162-C202 WeakPolarHBondContact SG-CA 3.34Å; C162-C202 WeakPolarHBondContact SG-CB 3.14Å; C162-C202 CovalentContact SG-SG 2.04Å; C162-C202 PolarHBondContact SG-SG 2.88Å; F198-C202 PolarHBondContact O-N 3.39Å; F198-C202 PolarHBondContact O-SG 2.83Å; F198-C202 VanDerWaalsContact O-SG 3.4Å; Y199-C202 PolarHBondContact O-N 3.47Å; C202-S204 VanDerWaalsContact C-N 3.31Å |
| 203 | E | 84.8 | Confident | 83.2 | Confident | 174 Ų | 174 | 60.7 Ų | 60.7 | 81% | 0.813 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -8.4 | 173.9 | -163.1 | 176.9 | -175 | 0 | 0 | 112.3 | Y199 N205 | Y199-E203 WeakPolarHBondContact O-CB 3.26Å; Y199-E203 PolarHBondContact O-N 2.97Å; E203-N205 PolarHBondContact O-N 3.48Å |
| 204 | S | 84.3 | Confident | 84.3 | Confident | 15 Ų | 15 | 60.5 Ų | 60.5 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | trans | -70.8 | 132.9 | -176.3 | 76.2 | 0 | 0 | 0 | 0 | 112.2 | Y61 K200 M201 C202 E206 L207 | Y61-S204 WeakPolarHBondContact OH-CB 3.38Å; K200-S204 WeakPolarHBondContact O-CB 3.45Å; K200-S204 PolarHBondContact O-N 3.27Å; M201-S204 WeakPolarHBondContact O-CB 3.41Å; M201-S204 PolarHBondContact O-N 3.02Å; M201-S204 VanDerWaalsContact O-N 3.16Å; M201-S204 PolarHBondContact O-OG 3.14Å; C202-S204 VanDerWaalsContact C-N 3.31Å; S204-E206 PolarHBondContact O-N 3.4Å; S204-L207 PolarHBondContact O-N 2.98Å; S204-L207 WeakPolarHBondContact OG-CB 3.17Å; S204-L207 PolarHBondContact OG-N 3.09Å | ||
| 205 | N | 84.6 | Confident | 85.7 | Confident | 112 Ų | 112 | 60.8 Ų | 60.8 | 60% | 0.599 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.5 | -20.8 | 169.1 | -168.4 | 57.3 | 0 | 0 | 0 | 111.9 | E203 M209 | E203-N205 PolarHBondContact O-N 3.48Å; N205-M209 WeakPolarHBondContact O-CB 3.4Å; N205-M209 PolarHBondContact O-N 3.16Å |
| 206 | E | 84.3 | Confident | 86.7 | Confident | 80 Ų | 80 | 61.5 Ų | 61.5 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 177.9 | -63.6 | -172.8 | 172 | 0 | 0 | 112 | T56 S204 T210 | T56-E206 WeakPolarHBondContact CG2-OE2 3.41Å; S204-E206 PolarHBondContact O-N 3.4Å; E206-T210 VanDerWaalsContact O-CB 3.25Å; E206-T210 WeakPolarHBondContact O-CB 3.16Å; E206-T210 PolarHBondContact O-N 3.09Å; E206-T210 PolarHBondContact O-OG1 3.23Å |
| 207 | L | 85 | Confident | 87.6 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.9 | -47.2 | 177.8 | -174.7 | 76.4 | 0 | 0 | 0 | 111.3 | I57 Y155 I158 S204 T210 F211 | I57-L207 HydrophobicContact CD1-CD1 4.03Å; Y155-L207 HydrophobicContact CD1-CD1 3.99Å; Y155-L207 HydrophobicContact CE1-CD1 3.85Å; I158-L207 HydrophobicContact CG2-CD1 4.24Å; I158-L207 HydrophobicContact CG2-CD2 4.15Å; S204-L207 PolarHBondContact O-N 2.98Å; S204-L207 WeakPolarHBondContact OG-CB 3.17Å; S204-L207 PolarHBondContact OG-N 3.09Å; L207-T210 PolarHBondContact O-N 3.46Å; L207-F211 PolarHBondContact O-N 2.8Å |
| 208 | D | 87.5 | Confident | 88.5 | Confident | 44 Ų | 44 | 53.7 Ų | 53.7 | 24% | 0.235 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.9 | -48 | 179.5 | -176.6 | 63.4 | 0 | 0 | 0 | 111.9 | W159 T210 F211 H212 | W159-D208 HydrophobicContact CH2-CB 4.27Å; W159-D208 WeakPolarHBondContact CH2-OD1 3.46Å; W159-D208 HydrophobicContact CZ3-CB 3.81Å; W159-D208 VanDerWaalsContact CZ3-OD1 3.23Å; W159-D208 WeakPolarHBondContact CZ3-OD1 3.38Å; D208-T210 PolarHBondContact O-N 3.15Å; D208-F211 PolarHBondContact O-N 3.22Å; D208-H212 PolarHBondContact O-N 3.45Å; D208-H212 VanDerWaalsContact O-N 3.13Å; D208-H212 PolarHBondContact O-ND1 3.18Å; D208-H212 IonicContact OD1-CE1 3.24Å; D208-H212 PolarHBondContact OD1-CE1 2.76Å; D208-H212 IonicContact OD1-ND1 2.96Å; D208-H212 PolarHBondContact OD1-ND1 2.8Å; D208-H212 IonicContact OD2-CE1 3Å; D208-H212 IonicContact OD2-ND1 2.69Å |
| 209 | M | 89.8 | Confident | 89.3 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 47% | 0.468 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 177.2 | -173.8 | 66.9 | 70.7 | 0 | 0 | 111.2 | N205 F211 H212 L213 | N205-M209 WeakPolarHBondContact O-CB 3.4Å; N205-M209 PolarHBondContact O-N 3.16Å; M209-F211 VanDerWaalsContact C-N 3.33Å; M209-F211 PolarHBondContact O-N 2.98Å; M209-H212 PolarHBondContact O-N 2.92Å; M209-L213 HydrophobicContact CG-CD1 3.82Å; M209-L213 HydrophobicContact CG-CG 4.36Å; M209-L213 WeakPolarHBondContact O-CB 3.05Å; M209-L213 WeakPolarHBondContact O-CD1 3.36Å; M209-L213 WeakPolarHBondContact O-CG 3.45Å; M209-L213 PolarHBondContact O-N 2.94Å |
| 210 | T | 90.4 | Very high | 90.2 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62 | -40.5 | 179.6 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | A50 I57 Y155 E206 L207 D208 L213 F214 | A50-T210 HydrophobicContact CB-CG2 4.48Å; I57-T210 HydrophobicContact CD1-CG2 4.46Å; Y155-T210 HydrophobicContact CD1-CG2 4.39Å; Y155-T210 HydrophobicContact CE1-CG2 3.6Å; Y155-T210 HydrophobicContact CE2-CG2 4.31Å; Y155-T210 WeakPolarHBondContact OH-CG2 3.44Å; E206-T210 VanDerWaalsContact O-CB 3.25Å; E206-T210 WeakPolarHBondContact O-CB 3.16Å; E206-T210 PolarHBondContact O-N 3.09Å; E206-T210 PolarHBondContact O-OG1 3.23Å; L207-T210 PolarHBondContact O-N 3.46Å; D208-T210 PolarHBondContact O-N 3.15Å; T210-L213 PolarHBondContact O-N 3.31Å; T210-F214 HydrophobicContact CG2-CD2 3.82Å; T210-F214 HydrophobicContact CG2-CE2 3.63Å; T210-F214 VanDerWaalsContact O-CD2 3.29Å; T210-F214 WeakPolarHBondContact O-CD2 3.31Å; T210-F214 PolarHBondContact O-N 3.4Å |
| 211 | F | 90.1 | Very high | 90.9 | Very high | 27 Ų | 27 | 45 Ų | 45 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.4 | -50.6 | 175.3 | 169.2 | -110.5 | 0 | 0 | 0 | 111.9 | F156 L207 D208 M209 L213 F214 V215 | F156-F211 HydrophobicContact CB-CE2 3.97Å; F156-F211 HydrophobicContact CD2-CE2 4.26Å; F156-F211 HydrophobicContact CD2-CZ 4.1Å; L207-F211 PolarHBondContact O-N 2.8Å; D208-F211 PolarHBondContact O-N 3.22Å; M209-F211 VanDerWaalsContact C-N 3.33Å; M209-F211 PolarHBondContact O-N 2.98Å; F211-L213 VanDerWaalsContact C-N 3.3Å; F211-L213 PolarHBondContact O-N 3.17Å; F211-F214 PolarHBondContact O-N 3.18Å; F211-V215 HydrophobicContact CD2-CG2 4.33Å; F211-V215 HydrophobicContact CE1-CG2 4.33Å; F211-V215 HydrophobicContact CE2-CG2 3.88Å; F211-V215 HydrophobicContact CZ-CG2 3.88Å; F211-V215 WeakPolarHBondContact O-CG2 3.42Å; F211-V215 PolarHBondContact O-N 3.03Å |
| 212 | H | 93.5 | Very high | 91.6 | Very high | 91 Ų | 91 | 45.9 Ų | 45.9 | 42% | 0.421 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 178.3 | -72.8 | 90.3 | 0 | 0 | 0 | 112 | D208 M209 F214 V215 C216 | D208-H212 PolarHBondContact O-N 3.45Å; D208-H212 VanDerWaalsContact O-N 3.13Å; D208-H212 PolarHBondContact O-ND1 3.18Å; D208-H212 IonicContact OD1-CE1 3.24Å; D208-H212 PolarHBondContact OD1-CE1 2.76Å; D208-H212 IonicContact OD1-ND1 2.96Å; D208-H212 PolarHBondContact OD1-ND1 2.8Å; D208-H212 IonicContact OD2-CE1 3Å; D208-H212 IonicContact OD2-ND1 2.69Å; M209-H212 PolarHBondContact O-N 2.92Å; H212-F214 PolarHBondContact O-N 3.05Å; H212-V215 PolarHBondContact O-N 3.44Å; H212-C216 WeakPolarHBondContact O-CB 3.4Å; H212-C216 PolarHBondContact O-N 3.35Å; H212-C216 PolarHBondContact O-SG 3.46Å |
| 213 | L | 94.8 | Very high | 92.3 | Very high | 33 Ų | 33 | 45.7 Ų | 45.7 | 17% | 0.173 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 175.6 | -71.9 | 164.8 | 0 | 0 | 0 | 112.1 | C46 E49 A50 M209 T210 F211 C216 S217 | C46-L213 HydrophobicContact CB-CB 4.48Å; C46-L213 HydrophobicContact CB-CD2 4.04Å; C46-L213 WeakPolarHBondContact CB-O 3.31Å; E49-L213 HydrophobicContact CB-CD1 3.79Å; E49-L213 HydrophobicContact CB-CD2 4.17Å; A50-L213 HydrophobicContact CB-CB 3.8Å; M209-L213 HydrophobicContact CG-CD1 3.82Å; M209-L213 HydrophobicContact CG-CG 4.36Å; M209-L213 WeakPolarHBondContact O-CB 3.05Å; M209-L213 WeakPolarHBondContact O-CD1 3.36Å; M209-L213 WeakPolarHBondContact O-CG 3.45Å; M209-L213 PolarHBondContact O-N 2.94Å; T210-L213 PolarHBondContact O-N 3.31Å; F211-L213 VanDerWaalsContact C-N 3.3Å; F211-L213 PolarHBondContact O-N 3.17Å; L213-C216 PolarHBondContact O-N 2.78Å; L213-S217 WeakPolarHBondContact O-CB 3.39Å; L213-S217 PolarHBondContact O-N 3.46Å |
| 214 | F | 94.6 | Very high | 92.9 | Very high | 14 Ų | 14 | 37.4 Ų | 37.4 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.9 | -39.8 | 173.7 | -85.5 | -61.6 | 0 | 0 | 0 | 112.5 | A50 P151 V152 Y155 T210 F211 H212 S217 L218 | A50-F214 HydrophobicContact CB-CD1 3.9Å; A50-F214 HydrophobicContact CB-CD2 3.8Å; A50-F214 HydrophobicContact CB-CE1 3.83Å; A50-F214 HydrophobicContact CB-CE2 3.72Å; A50-F214 HydrophobicContact CB-CG 3.87Å; A50-F214 HydrophobicContact CB-CZ 3.74Å; P151-F214 HydrophobicContact CB-CD1 3.93Å; P151-F214 HydrophobicContact CB-CE1 3.77Å; P151-F214 HydrophobicContact CB-CE2 4.44Å; P151-F214 HydrophobicContact CB-CG 4.36Å; P151-F214 HydrophobicContact CB-CZ 4.05Å; P151-F214 HydrophobicContact CG-CD1 3.92Å; P151-F214 HydrophobicContact CG-CE1 3.89Å; V152-F214 HydrophobicContact CG2-CB 3.83Å; V152-F214 WeakPolarHBondContact CG2-O 3.44Å; Y155-F214 AromaticContact CD2-CD2 3.77Å; Y155-F214 HydrophobicContact CD2-CD2 3.77Å; Y155-F214 AromaticContact CD2-CE2 3.84Å; Y155-F214 HydrophobicContact CD2-CE2 3.84Å; Y155-F214 AromaticContact CE2-CD2 3.78Å; Y155-F214 HydrophobicContact CE2-CD2 3.78Å; Y155-F214 AromaticContact CE2-CE2 3.36Å; Y155-F214 HydrophobicContact CE2-CE2 3.36Å; Y155-F214 HydrophobicContact CE2-CZ 4.31Å; Y155-F214 HydrophobicContact CG-CD2 4.36Å; Y155-F214 AromaticContact CZ-CE2 3.91Å; T210-F214 HydrophobicContact CG2-CD2 3.82Å; T210-F214 HydrophobicContact CG2-CE2 3.63Å; T210-F214 VanDerWaalsContact O-CD2 3.29Å; T210-F214 WeakPolarHBondContact O-CD2 3.31Å; T210-F214 PolarHBondContact O-N 3.4Å; F211-F214 PolarHBondContact O-N 3.18Å; H212-F214 PolarHBondContact O-N 3.05Å; F214-S217 PolarHBondContact O-N 2.91Å; F214-L218 PolarHBondContact O-N 3.38Å |
| 215 | V | 95.8 | Very high | 93.5 | Very high | 59 Ų | 59 | 37.6 Ų | 37.6 | 36% | 0.358 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.5 | -45.8 | 175.1 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | V152 F211 H212 S217 L218 A219 | V152-V215 HydrophobicContact CG1-CG2 4.03Å; F211-V215 HydrophobicContact CD2-CG2 4.33Å; F211-V215 HydrophobicContact CE1-CG2 4.33Å; F211-V215 HydrophobicContact CE2-CG2 3.88Å; F211-V215 HydrophobicContact CZ-CG2 3.88Å; F211-V215 WeakPolarHBondContact O-CG2 3.42Å; F211-V215 PolarHBondContact O-N 3.03Å; H212-V215 PolarHBondContact O-N 3.44Å; V215-S217 VanDerWaalsContact C-N 3.31Å; V215-S217 PolarHBondContact O-N 3.2Å; V215-L218 PolarHBondContact O-N 3.35Å; V215-A219 PolarHBondContact O-N 3.41Å |
| 216 | C | 96.7 | Very high | 94.1 | Very high | 57 Ų | 57 | 36.4 Ų | 36.4 | 39% | 0.385 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.5 | -39.1 | 175.1 | -71.3 | 0 | 0 | 0 | 0 | 112.1 | C46 H212 L213 A219 G220 | C46-C216 HydrophobicContact CB-CB 4.02Å; H212-C216 WeakPolarHBondContact O-CB 3.4Å; H212-C216 PolarHBondContact O-N 3.35Å; H212-C216 PolarHBondContact O-SG 3.46Å; L213-C216 PolarHBondContact O-N 2.78Å; C216-A219 PolarHBondContact O-N 3.39Å; C216-G220 PolarHBondContact O-N 3.32Å |
| 217 | S | 96.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.6 | -45 | 175.8 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | F43 L213 F214 V215 A219 G220 A221 | F43-S217 WeakPolarHBondContact CD2-O 3.4Å; F43-S217 WeakPolarHBondContact CD2-OG 3.45Å; F43-S217 PolarHBondContact O-OG 3.29Å; L213-S217 WeakPolarHBondContact O-CB 3.39Å; L213-S217 PolarHBondContact O-N 3.46Å; F214-S217 PolarHBondContact O-N 2.91Å; V215-S217 VanDerWaalsContact C-N 3.31Å; V215-S217 PolarHBondContact O-N 3.2Å; S217-A219 VanDerWaalsContact C-N 3.35Å; S217-A219 PolarHBondContact O-N 3.02Å; S217-G220 WeakPolarHBondContact O-CA 3.28Å; S217-G220 PolarHBondContact O-N 3.38Å; S217-G220 VanDerWaalsContact O-N 3.13Å; S217-A221 PolarHBondContact O-N 3.3Å |
| 218 | L | 97.4 | Very high | 95.2 | Very high | 44 Ų | 44 | 32.4 Ų | 32.4 | 23% | 0.23 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.8 | -43.7 | 174.7 | 179.6 | 64.3 | 0 | 0 | 0 | 112 | T145 T148 V152 F214 V215 G220 A221 G222 | T145-L218 HydrophobicContact CG2-CD1 3.75Å; T145-L218 VanDerWaalsContact O-CD1 3.24Å; T145-L218 WeakPolarHBondContact O-CD1 3.2Å; T148-L218 HydrophobicContact CG2-CB 4.18Å; T148-L218 HydrophobicContact CG2-CD1 4.42Å; V152-L218 HydrophobicContact CG1-CD2 4.47Å; V152-L218 HydrophobicContact CG2-CB 4.14Å; V152-L218 HydrophobicContact CG2-CD2 4.14Å; F214-L218 PolarHBondContact O-N 3.38Å; V215-L218 PolarHBondContact O-N 3.35Å; L218-G220 VanDerWaalsContact C-N 3.32Å; L218-G220 PolarHBondContact O-N 2.91Å; L218-A221 PolarHBondContact O-N 2.95Å; L218-G222 PolarHBondContact O-N 3.23Å |
| 219 | A | 97.8 | Very high | 95.6 | Very high | 62 Ų | 62 | 33.7 Ų | 33.7 | 51% | 0.512 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.3 | -39.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | V215 C216 S217 G222 A223 | V215-A219 PolarHBondContact O-N 3.41Å; C216-A219 PolarHBondContact O-N 3.39Å; S217-A219 VanDerWaalsContact C-N 3.35Å; S217-A219 PolarHBondContact O-N 3.02Å; A219-G222 PolarHBondContact O-N 2.83Å; A219-A223 WeakPolarHBondContact O-CB 3.27Å; A219-A223 PolarHBondContact O-N 3.46Å |
| 220 | G | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.2 | -45.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | G39 C216 S217 L218 G222 A223 A224 | G39-G220 CarbonylContact C-O 3.59Å; G39-G220 VanDerWaalsContact CA-O 3.27Å; G39-G220 WeakPolarHBondContact CA-O 3.33Å; G39-G220 CarbonylContact O-C 3.36Å; G39-G220 WeakPolarHBondContact O-CA 3.34Å; C216-G220 PolarHBondContact O-N 3.32Å; S217-G220 WeakPolarHBondContact O-CA 3.28Å; S217-G220 PolarHBondContact O-N 3.38Å; S217-G220 VanDerWaalsContact O-N 3.13Å; L218-G220 VanDerWaalsContact C-N 3.32Å; L218-G220 PolarHBondContact O-N 2.91Å; G220-G222 VanDerWaalsContact C-N 3.35Å; G220-G222 PolarHBondContact O-N 2.75Å; G220-A223 PolarHBondContact O-N 2.9Å; G220-A224 PolarHBondContact O-N 3.06Å |
| 221 | A | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F43 W141 V144 S217 L218 A224 V225 | F43-A221 HydrophobicContact CD2-CB 3.8Å; F43-A221 HydrophobicContact CE2-CB 4.3Å; F43-A221 HydrophobicContact CG-CB 4.46Å; W141-A221 HydrophobicContact CE3-CB 4.16Å; W141-A221 HydrophobicContact CZ3-CB 4.15Å; V144-A221 HydrophobicContact CG1-CB 4.32Å; S217-A221 PolarHBondContact O-N 3.3Å; L218-A221 PolarHBondContact O-N 2.95Å; A221-A224 WeakPolarHBondContact O-CB 3.38Å; A221-A224 PolarHBondContact O-N 3.17Å; A221-V225 PolarHBondContact O-N 3.05Å |
| 222 | G | 97.2 | Very high | 96.2 | Very high | 21 Ų | 21 | 32.6 Ų | 32.6 | 22% | 0.216 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | L218 A219 G220 A224 V225 I226 | L218-G222 PolarHBondContact O-N 3.23Å; A219-G222 PolarHBondContact O-N 2.83Å; G220-G222 VanDerWaalsContact C-N 3.35Å; G220-G222 PolarHBondContact O-N 2.75Å; G222-A224 VanDerWaalsContact C-N 3.32Å; G222-A224 PolarHBondContact O-N 3.28Å; G222-V225 WeakPolarHBondContact O-CB 3.2Å; G222-V225 PolarHBondContact O-N 3.44Å; G222-I226 WeakPolarHBondContact O-CG1 3.02Å; G222-I226 PolarHBondContact O-N 3.45Å |
| 223 | A | 97.6 | Very high | 96.1 | Very high | 20 Ų | 20 | 33 Ų | 33 | 17% | 0.165 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.2 | -38.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | L35 A219 G220 I226 A227 | L35-A223 HydrophobicContact CD1-CB 4.31Å; A219-A223 WeakPolarHBondContact O-CB 3.27Å; A219-A223 PolarHBondContact O-N 3.46Å; G220-A223 PolarHBondContact O-N 2.9Å; A223-I226 PolarHBondContact O-N 3.39Å; A223-A227 WeakPolarHBondContact O-CB 3.21Å; A223-A227 PolarHBondContact O-N 2.81Å |
| 224 | A | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | V40 W141 G220 A221 G222 A227 M228 | V40-A224 HydrophobicContact CG2-CB 4.41Å; W141-A224 HydrophobicContact CD2-CB 3.64Å; W141-A224 HydrophobicContact CE3-CB 3.71Å; W141-A224 HydrophobicContact CG-CB 4.14Å; W141-A224 HydrophobicContact CH2-CB 4.29Å; W141-A224 HydrophobicContact CZ2-CB 4.25Å; W141-A224 HydrophobicContact CZ3-CB 4.03Å; G220-A224 PolarHBondContact O-N 3.06Å; A221-A224 WeakPolarHBondContact O-CB 3.38Å; A221-A224 PolarHBondContact O-N 3.17Å; G222-A224 VanDerWaalsContact C-N 3.32Å; G222-A224 PolarHBondContact O-N 3.28Å; A224-A227 PolarHBondContact O-N 3.19Å; A224-M228 WeakPolarHBondContact O-CG 3.46Å; A224-M228 PolarHBondContact O-N 3.37Å |
| 225 | V | 98 | Very high | 95.6 | Very high | 20 Ų | 20 | 32 Ų | 32 | 12% | 0.121 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.1 | -48.5 | 172.6 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | W141 A221 G222 A227 M228 I229 | W141-V225 HydrophobicContact CB-CG2 3.65Å; A221-V225 PolarHBondContact O-N 3.05Å; G222-V225 WeakPolarHBondContact O-CB 3.2Å; G222-V225 PolarHBondContact O-N 3.44Å; V225-A227 VanDerWaalsContact C-N 3.29Å; V225-A227 PolarHBondContact O-N 3.16Å; V225-M228 PolarHBondContact O-N 3.44Å; V225-I229 HydrophobicContact CG1-CD1 3.96Å; V225-I229 WeakPolarHBondContact O-CG1 3.34Å; V225-I229 PolarHBondContact O-N 3.04Å |
| 226 | I | 96.9 | Very high | 95.3 | Very high | 86 Ų | 86 | 32.1 Ų | 32.1 | 44% | 0.441 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61 | -41.4 | 179.3 | -64.4 | 167.9 | 0 | 0 | 0 | 110.6 | L35 G222 A223 I229 H230 | L35-I226 HydrophobicContact CD2-CB 4.2Å; L35-I226 HydrophobicContact CD2-CG2 3.73Å; G222-I226 WeakPolarHBondContact O-CG1 3.02Å; G222-I226 PolarHBondContact O-N 3.45Å; A223-I226 PolarHBondContact O-N 3.39Å; I226-I229 PolarHBondContact O-N 3.49Å; I226-H230 PolarHBondContact O-N 3.14Å; I226-H230 PolarHBondContact O-ND1 2.63Å |
| 227 | A | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.8 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | L35 L36 A223 A224 V225 I229 H230 Y231 | L35-A227 HydrophobicContact CB-CB 4.08Å; L35-A227 HydrophobicContact CD2-CB 4.19Å; L35-A227 HydrophobicContact CG-CB 4.05Å; L36-A227 HydrophobicContact CB-CB 3.78Å; L36-A227 HydrophobicContact CD1-CB 4.38Å; A223-A227 WeakPolarHBondContact O-CB 3.21Å; A223-A227 PolarHBondContact O-N 2.81Å; A224-A227 PolarHBondContact O-N 3.19Å; V225-A227 VanDerWaalsContact C-N 3.29Å; V225-A227 PolarHBondContact O-N 3.16Å; A227-I229 VanDerWaalsContact C-N 3.35Å; A227-I229 PolarHBondContact O-N 3.48Å; A227-H230 WeakPolarHBondContact O-CB 3.21Å; A227-H230 PolarHBondContact O-N 2.98Å; A227-Y231 VanDerWaalsContact O-CD2 3.26Å; A227-Y231 WeakPolarHBondContact O-CD2 3.32Å; A227-Y231 PolarHBondContact O-N 3.4Å |
| 228 | M | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.4 | -39.6 | 175.7 | -68 | -59 | 179.7 | 0 | 0 | 112.5 | L36 F92 Y95 T134 F137 M138 A224 V225 H230 Y231 L232 | L36-M228 HydrophobicContact CD1-CE 3.63Å; L36-M228 HydrophobicContact CD2-CE 4.48Å; F92-M228 HydrophobicContact CD1-CE 3.63Å; F92-M228 HydrophobicContact CE1-CE 3.19Å; F92-M228 HydrophobicContact CZ-CE 4.23Å; Y95-M228 HydrophobicContact CD1-CE 4.35Å; Y95-M228 HydrophobicContact CE1-CE 4.24Å; Y95-M228 HydrophobicContact CE1-SD 4.37Å; T134-M228 HydrophobicContact CG2-CB 4.46Å; T134-M228 HydrophobicContact CG2-SD 3.84Å; F137-M228 HydrophobicContact CB-CE 4.06Å; F137-M228 HydrophobicContact CB-SD 4.45Å; M138-M228 HydrophobicContact CB-CB 3.84Å; M138-M228 HydrophobicContact CG-CB 4.07Å; A224-M228 WeakPolarHBondContact O-CG 3.46Å; A224-M228 PolarHBondContact O-N 3.37Å; V225-M228 PolarHBondContact O-N 3.44Å; M228-H230 VanDerWaalsContact C-N 3.33Å; M228-Y231 PolarHBondContact O-N 3.14Å; M228-L232 WeakPolarHBondContact O-CG 3.32Å; M228-L232 PolarHBondContact O-N 3.02Å |
| 229 | I | 96.1 | Very high | 93.5 | Very high | 71 Ų | 71 | 34.5 Ų | 34.5 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 174.4 | -65.6 | 166.9 | 0 | 0 | 0 | 110.2 | M138 V225 I226 A227 Y231 L232 M233 | M138-I229 HydrophobicContact CG-CG1 4.15Å; M138-I229 HydrophobicContact SD-CG1 4.19Å; V225-I229 HydrophobicContact CG1-CD1 3.96Å; V225-I229 WeakPolarHBondContact O-CG1 3.34Å; V225-I229 PolarHBondContact O-N 3.04Å; I226-I229 PolarHBondContact O-N 3.49Å; A227-I229 VanDerWaalsContact C-N 3.35Å; A227-I229 PolarHBondContact O-N 3.48Å; I229-Y231 VanDerWaalsContact C-N 3.34Å; I229-Y231 PolarHBondContact O-N 3.4Å; I229-L232 PolarHBondContact O-N 3.35Å; I229-M233 HydrophobicContact CG2-CE 4.19Å; I229-M233 WeakPolarHBondContact O-CG 3.46Å; I229-M233 PolarHBondContact O-N 2.96Å |
| 230 | H | 94.7 | Very high | 92.8 | Very high | 73 Ų | 73 | 33.8 Ų | 33.8 | 34% | 0.338 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.7 | -44.3 | 174.5 | -78.4 | 74.5 | 0 | 0 | 0 | 111.9 | A32 I226 A227 M228 L232 M233 V234 | A32-H230 HydrophobicContact CB-CB 3.9Å; I226-H230 PolarHBondContact O-N 3.14Å; I226-H230 PolarHBondContact O-ND1 2.63Å; A227-H230 WeakPolarHBondContact O-CB 3.21Å; A227-H230 PolarHBondContact O-N 2.98Å; M228-H230 VanDerWaalsContact C-N 3.33Å; H230-L232 PolarHBondContact O-N 3.27Å; H230-M233 HydrophobicContact CB-CE 4.33Å; H230-M233 PolarHBondContact O-N 3.23Å; H230-V234 WeakPolarHBondContact O-CG2 3.37Å; H230-V234 PolarHBondContact O-N 3.34Å |
| 231 | Y | 93.5 | Very high | 91.8 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61 | -44.4 | 174.2 | -83 | -63 | 0 | 0 | 0 | 112.7 | A32 T33 L36 L99 A227 M228 I229 M233 V234 L235 | A32-Y231 HydrophobicContact CB-CD1 4.02Å; A32-Y231 HydrophobicContact CB-CD2 3.83Å; A32-Y231 HydrophobicContact CB-CE1 3.92Å; A32-Y231 HydrophobicContact CB-CE2 3.73Å; A32-Y231 HydrophobicContact CB-CG 4Å; T33-Y231 WeakPolarHBondContact CA-OH 3.27Å; T33-Y231 WeakPolarHBondContact CB-OH 3.21Å; T33-Y231 PolarHBondContact N-OH 3.14Å; T33-Y231 PolarHBondContact OG1-OH 3.05Å; L36-Y231 HydrophobicContact CB-CE2 4.19Å; L36-Y231 HydrophobicContact CD2-CE2 3.93Å; L99-Y231 HydrophobicContact CB-CD1 4.02Å; L99-Y231 HydrophobicContact CB-CE1 3.56Å; L99-Y231 HydrophobicContact CD1-CD1 3.93Å; L99-Y231 HydrophobicContact CD1-CD2 3.79Å; L99-Y231 HydrophobicContact CD1-CE1 4.03Å; L99-Y231 HydrophobicContact CD1-CE2 3.89Å; L99-Y231 HydrophobicContact CD1-CG 3.78Å; L99-Y231 HydrophobicContact CG-CD1 4.48Å; L99-Y231 HydrophobicContact CG-CE1 4.42Å; A227-Y231 VanDerWaalsContact O-CD2 3.26Å; A227-Y231 WeakPolarHBondContact O-CD2 3.32Å; A227-Y231 PolarHBondContact O-N 3.4Å; M228-Y231 PolarHBondContact O-N 3.14Å; I229-Y231 VanDerWaalsContact C-N 3.34Å; I229-Y231 PolarHBondContact O-N 3.4Å; Y231-M233 VanDerWaalsContact C-N 3.31Å; Y231-M233 PolarHBondContact O-N 3.06Å; Y231-V234 PolarHBondContact O-N 2.89Å; Y231-L235 VanDerWaalsContact O-CB 3.27Å; Y231-L235 WeakPolarHBondContact O-CB 3.44Å; Y231-L235 WeakPolarHBondContact O-CG 3.43Å; Y231-L235 PolarHBondContact O-N 3.48Å |
| 232 | L | 93.7 | Very high | 90.7 | Very high | 28 Ų | 28 | 40.3 Ų | 40.3 | 15% | 0.147 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.6 | -39.9 | 176.7 | -74.5 | 169.9 | 0 | 0 | 0 | 112.3 | I131 T134 Y135 M138 M228 I229 H230 S236 | I131-L232 HydrophobicContact CG2-CD2 4.32Å; T134-L232 HydrophobicContact CG2-CD2 3.99Å; T134-L232 HydrophobicContact CG2-CG 3.84Å; Y135-L232 HydrophobicContact CD2-CD1 4.08Å; M138-L232 HydrophobicContact CB-CD1 4.28Å; M138-L232 HydrophobicContact CG-CD1 4.4Å; M138-L232 HydrophobicContact SD-CD1 4.16Å; M228-L232 WeakPolarHBondContact O-CG 3.32Å; M228-L232 PolarHBondContact O-N 3.02Å; I229-L232 PolarHBondContact O-N 3.35Å; H230-L232 PolarHBondContact O-N 3.27Å; L232-S236 WeakPolarHBondContact O-CB 3.38Å; L232-S236 PolarHBondContact O-N 2.89Å; L232-S236 PolarHBondContact O-OG 2.8Å |
| 233 | M | 92.2 | Very high | 89.8 | Confident | 100 Ų | 100 | 43.3 Ų | 43.3 | 49% | 0.493 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.6 | -47.2 | 174.7 | -70.6 | -172.4 | -67.6 | 0 | 0 | 111.3 | I229 H230 Y231 S236 A237 | I229-M233 HydrophobicContact CG2-CE 4.19Å; I229-M233 WeakPolarHBondContact O-CG 3.46Å; I229-M233 PolarHBondContact O-N 2.96Å; H230-M233 HydrophobicContact CB-CE 4.33Å; H230-M233 PolarHBondContact O-N 3.23Å; Y231-M233 VanDerWaalsContact C-N 3.31Å; Y231-M233 PolarHBondContact O-N 3.06Å; M233-S236 PolarHBondContact O-OG 3.29Å; M233-A237 WeakPolarHBondContact O-CB 3.29Å; M233-A237 PolarHBondContact O-N 3.49Å |
| 234 | V | 89.7 | Confident | 88.8 | Confident | 24 Ų | 24 | 46.3 Ų | 46.3 | 15% | 0.145 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69 | -44.4 | -179 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | P28 S29 H230 Y231 S236 A237 N238 | P28-V234 HydrophobicContact CB-CG2 3.41Å; P28-V234 VanDerWaalsContact CB-CG2 3.41Å; S29-V234 WeakPolarHBondContact OG-CG1 3.44Å; H230-V234 WeakPolarHBondContact O-CG2 3.37Å; H230-V234 PolarHBondContact O-N 3.34Å; Y231-V234 PolarHBondContact O-N 2.89Å; V234-S236 VanDerWaalsContact C-N 3.35Å; V234-S236 PolarHBondContact O-N 3.48Å; V234-A237 PolarHBondContact O-N 2.99Å; V234-N238 WeakPolarHBondContact O-CB 3.43Å; V234-N238 PolarHBondContact O-N 3.36Å; V234-N238 PolarHBondContact O-ND2 3.39Å; V234-N238 PolarHBondContact O-OD1 2.95Å |
| 235 | L | 89.2 | Confident | 87.7 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 177.7 | -68.8 | 174.4 | 0 | 0 | 0 | 112.1 | L99 E102 I131 T134 Y231 N238 W239 | L99-L235 HydrophobicContact CD2-CD1 4.04Å; E102-L235 HydrophobicContact CG-CD2 4.1Å; E102-L235 WeakPolarHBondContact OE2-CD2 3.12Å; I131-L235 HydrophobicContact CD1-CB 4.43Å; I131-L235 HydrophobicContact CG1-CB 3.72Å; I131-L235 HydrophobicContact CG1-CD1 4.38Å; T134-L235 WeakPolarHBondContact OG1-CD1 3.38Å; Y231-L235 VanDerWaalsContact O-CB 3.27Å; Y231-L235 WeakPolarHBondContact O-CB 3.44Å; Y231-L235 WeakPolarHBondContact O-CG 3.43Å; Y231-L235 PolarHBondContact O-N 3.48Å; L235-N238 WeakPolarHBondContact O-CB 3.33Å; L235-N238 PolarHBondContact O-N 2.78Å; L235-W239 WeakPolarHBondContact O-CB 3.24Å; L235-W239 PolarHBondContact O-N 3.01Å |
| 236 | S | 89.3 | Confident | 86.4 | Confident | 60 Ų | 60 | 48.4 Ų | 48.4 | 42% | 0.42 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.7 | -40.1 | 177.3 | 58.8 | 0 | 0 | 0 | 0 | 112.7 | L232 M233 V234 N238 W239 A240 | L232-S236 WeakPolarHBondContact O-CB 3.38Å; L232-S236 PolarHBondContact O-N 2.89Å; L232-S236 PolarHBondContact O-OG 2.8Å; M233-S236 PolarHBondContact O-OG 3.29Å; V234-S236 VanDerWaalsContact C-N 3.35Å; V234-S236 PolarHBondContact O-N 3.48Å; S236-N238 VanDerWaalsContact C-N 3.33Å; S236-W239 PolarHBondContact O-N 3.18Å; S236-A240 PolarHBondContact O-N 3.19Å |
| 237 | A | 86.2 | Confident | 85.5 | Confident | 59 Ų | 59 | 51.6 Ų | 51.6 | 49% | 0.488 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | M233 V234 W239 A240 Y241 | M233-A237 WeakPolarHBondContact O-CB 3.29Å; M233-A237 PolarHBondContact O-N 3.49Å; V234-A237 PolarHBondContact O-N 2.99Å; A237-W239 VanDerWaalsContact C-N 3.35Å; A237-W239 PolarHBondContact O-N 2.84Å; A237-A240 PolarHBondContact O-N 3.48Å; A237-Y241 WeakPolarHBondContact O-CB 3.34Å; A237-Y241 PolarHBondContact O-N 3.28Å |
| 238 | N | 82.3 | Confident | 84.6 | Confident | 28 Ų | 28 | 57 Ų | 57 | 15% | 0.15 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.1 | -43 | 175.4 | -77.2 | -7.2 | 0 | 0 | 0 | 112.1 | T106 V234 L235 S236 Y241 V242 | T106-N238 HydrophobicContact CG2-CB 3.55Å; T106-N238 VanDerWaalsContact CG2-OD1 3.32Å; T106-N238 WeakPolarHBondContact CG2-OD1 3.27Å; V234-N238 WeakPolarHBondContact O-CB 3.43Å; V234-N238 PolarHBondContact O-N 3.36Å; V234-N238 PolarHBondContact O-ND2 3.39Å; V234-N238 PolarHBondContact O-OD1 2.95Å; L235-N238 WeakPolarHBondContact O-CB 3.33Å; L235-N238 PolarHBondContact O-N 2.78Å; S236-N238 VanDerWaalsContact C-N 3.33Å; N238-Y241 PolarHBondContact O-N 3.25Å; N238-V242 VanDerWaalsContact O-CG2 3.28Å; N238-V242 WeakPolarHBondContact O-CG2 3.49Å; N238-V242 PolarHBondContact O-N 2.82Å |
| 239 | W | 83.8 | Confident | 83.7 | Confident | 68 Ų | 68 | 60 Ų | 60 | 26% | 0.258 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 176.3 | 176 | -101 | 0 | 0 | 0 | 112.9 | R124 A128 I131 L235 S236 A237 Y241 V242 K243 | R124-W239 HydrophobicContact CB-CH2 3.95Å; R124-W239 HydrophobicContact CB-CZ3 3.91Å; R124-W239 HydrophobicContact CG-CZ3 4.44Å; R124-W239 WeakPolarHBondContact O-CH2 3.48Å; R124-W239 WeakPolarHBondContact O-CZ3 3.48Å; A128-W239 HydrophobicContact CB-CH2 3.81Å; A128-W239 HydrophobicContact CB-CZ2 4.49Å; A128-W239 HydrophobicContact CB-CZ3 3.91Å; I131-W239 HydrophobicContact CD1-CB 3.77Å; I131-W239 HydrophobicContact CD1-CD2 4.34Å; I131-W239 HydrophobicContact CD1-CE3 4.48Å; I131-W239 HydrophobicContact CD1-CG 4.06Å; L235-W239 WeakPolarHBondContact O-CB 3.24Å; L235-W239 PolarHBondContact O-N 3.01Å; S236-W239 PolarHBondContact O-N 3.18Å; A237-W239 VanDerWaalsContact C-N 3.35Å; A237-W239 PolarHBondContact O-N 2.84Å; W239-Y241 VanDerWaalsContact C-N 3.32Å; W239-Y241 PolarHBondContact O-N 3.05Å; W239-V242 PolarHBondContact O-N 3.04Å; W239-K243 WeakPolarHBondContact O-CB 3.38Å; W239-K243 PolarHBondContact O-N 2.88Å |
| 240 | A | 83.3 | Confident | 83 | Confident | 46 Ų | 46 | 63.7 Ų | 63.7 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | S236 A237 V242 K243 D244 | S236-A240 PolarHBondContact O-N 3.19Å; A237-A240 PolarHBondContact O-N 3.48Å; A240-V242 PolarHBondContact O-N 2.91Å; A240-K243 WeakPolarHBondContact O-CB 3.38Å; A240-K243 PolarHBondContact O-N 3.4Å; A240-D244 PolarHBondContact O-N 2.86Å |
| 241 | Y | 76.9 | Confident | 82.3 | Confident | 125 Ų | 125 | 67.4 Ų | 67.4 | 49% | 0.49 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.3 | -48.9 | 176.2 | -179.2 | -82.2 | 0 | 0 | 0 | 112.5 | K111 A237 N238 W239 K243 D244 A245 | K111-Y241 PolarHBondContact NZ-OH 3.04Å; K111-Y241 VanDerWaalsContact NZ-OH 3.16Å; A237-Y241 WeakPolarHBondContact O-CB 3.34Å; A237-Y241 PolarHBondContact O-N 3.28Å; N238-Y241 PolarHBondContact O-N 3.25Å; W239-Y241 VanDerWaalsContact C-N 3.32Å; W239-Y241 PolarHBondContact O-N 3.05Å; Y241-K243 VanDerWaalsContact C-N 3.27Å; Y241-K243 PolarHBondContact O-N 3.44Å; Y241-D244 PolarHBondContact O-N 3.23Å; Y241-D244 VanDerWaalsContact O-N 3.14Å; Y241-A245 HydrophobicContact CE1-CB 4.22Å; Y241-A245 PolarHBondContact O-N 3.25Å |
| 242 | V | 74.4 | Confident | 81.8 | Confident | 12 Ų | 12 | 73.1 Ų | 73.1 | 7% | 0.073 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 179.7 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | K118 R124 N238 W239 A240 D244 C246 | K118-V242 HydrophobicContact CD-CG2 4.21Å; R124-V242 HydrophobicContact CG-CG1 4.12Å; N238-V242 VanDerWaalsContact O-CG2 3.28Å; N238-V242 WeakPolarHBondContact O-CG2 3.49Å; N238-V242 PolarHBondContact O-N 2.82Å; W239-V242 PolarHBondContact O-N 3.04Å; A240-V242 PolarHBondContact O-N 2.91Å; V242-D244 VanDerWaalsContact C-N 3.34Å; V242-C246 WeakPolarHBondContact O-CB 3.45Å; V242-C246 PolarHBondContact O-N 2.95Å |
| 243 | K | 78.6 | Confident | 81.3 | Confident | 84 Ų | 84 | 75.7 Ų | 75.7 | 37% | 0.365 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 175.8 | -178 | -176.5 | 177.3 | -176 | 0 | 111.7 | W239 A240 Y241 R247 | W239-K243 WeakPolarHBondContact O-CB 3.38Å; W239-K243 PolarHBondContact O-N 2.88Å; A240-K243 WeakPolarHBondContact O-CB 3.38Å; A240-K243 PolarHBondContact O-N 3.4Å; Y241-K243 VanDerWaalsContact C-N 3.27Å; Y241-K243 PolarHBondContact O-N 3.44Å; K243-R247 WeakPolarHBondContact O-CG 3.43Å; K243-R247 PolarHBondContact O-N 2.98Å |
| 244 | D | 76.3 | Confident | 81.1 | Confident | 84 Ų | 84 | 74 Ų | 74 | 45% | 0.449 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -73.6 | -40.2 | -179.9 | -69.4 | -25.2 | 0 | 0 | 0 | 112.1 | A240 Y241 V242 C246 R247 M248 | A240-D244 PolarHBondContact O-N 2.86Å; Y241-D244 PolarHBondContact O-N 3.23Å; Y241-D244 VanDerWaalsContact O-N 3.14Å; V242-D244 VanDerWaalsContact C-N 3.34Å; D244-C246 VanDerWaalsContact C-N 3.33Å; D244-C246 PolarHBondContact O-N 3.39Å; D244-R247 WeakPolarHBondContact O-CB 3.43Å; D244-R247 PolarHBondContact O-N 3.06Å; D244-R247 VanDerWaalsContact O-N 3.14Å; D244-R247 IonicContact OD1-NH1 3.72Å; D244-M248 PolarHBondContact O-N 3.08Å; D244-M248 VanDerWaalsContact O-N 3.08Å |
| 245 | A | 73.9 | Confident | 81.2 | Confident | 32 Ų | 32 | 77.6 Ų | 77.6 | 26% | 0.264 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y241 R247 M248 Q249 | Y241-A245 HydrophobicContact CE1-CB 4.22Å; Y241-A245 PolarHBondContact O-N 3.25Å; A245-R247 VanDerWaalsContact C-N 3.32Å; A245-R247 PolarHBondContact O-N 3.2Å; A245-M248 PolarHBondContact O-N 2.99Å; A245-Q249 PolarHBondContact O-N 3.08Å |
| 246 | C | 71 | Confident | 81.2 | Confident | 31 Ų | 31 | 80 Ų | 80 | 21% | 0.209 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.2 | -37.3 | 175.8 | 179.5 | 0 | 0 | 0 | 0 | 112.7 | I119 V242 D244 M248 Q249 K250 | I119-C246 HydrophobicContact CG2-CB 4.06Å; V242-C246 WeakPolarHBondContact O-CB 3.45Å; V242-C246 PolarHBondContact O-N 2.95Å; D244-C246 VanDerWaalsContact C-N 3.33Å; D244-C246 PolarHBondContact O-N 3.39Å; C246-M248 VanDerWaalsContact C-N 3.34Å; C246-Q249 PolarHBondContact O-N 3.49Å; C246-K250 PolarHBondContact O-N 3.32Å |
| 247 | R | 77.5 | Confident | 81.3 | Confident | 153 Ų | 153 | 84 Ų | 84 | 58% | 0.577 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.6 | -40.7 | 175.3 | -75.2 | 170.8 | 167.1 | -177.8 | -10.1 | 111.5 | K243 D244 A245 K250 Y251 | K243-R247 WeakPolarHBondContact O-CG 3.43Å; K243-R247 PolarHBondContact O-N 2.98Å; D244-R247 WeakPolarHBondContact O-CB 3.43Å; D244-R247 PolarHBondContact O-N 3.06Å; D244-R247 VanDerWaalsContact O-N 3.14Å; D244-R247 IonicContact OD1-NH1 3.72Å; A245-R247 VanDerWaalsContact C-N 3.32Å; A245-R247 PolarHBondContact O-N 3.2Å; R247-K250 PolarHBondContact O-N 3.05Å; R247-Y251 PolarHBondContact O-N 3.23Å; R247-Y251 VanDerWaalsContact O-N 3.09Å |
| 248 | M | 78.2 | Confident | 81.6 | Confident | 113 Ų | 113 | 87 Ų | 87 | 56% | 0.557 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.9 | -45.8 | 176.3 | -68.1 | -58 | -64.5 | 0 | 0 | 111.7 | D244 A245 C246 K250 Y251 E252 | D244-M248 PolarHBondContact O-N 3.08Å; D244-M248 VanDerWaalsContact O-N 3.08Å; A245-M248 PolarHBondContact O-N 2.99Å; C246-M248 VanDerWaalsContact C-N 3.34Å; M248-K250 VanDerWaalsContact C-N 3.34Å; M248-K250 PolarHBondContact O-N 2.85Å; M248-Y251 WeakPolarHBondContact O-CA 3.45Å; M248-Y251 WeakPolarHBondContact O-CB 3.29Å; M248-Y251 PolarHBondContact O-N 2.71Å; M248-E252 PolarHBondContact O-N 3.14Å |
| 249 | Q | 77.3 | Confident | 82.1 | Confident | 63 Ų | 63 | 90.5 Ų | 90.5 | 29% | 0.294 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 176.9 | -172.1 | 173.1 | 2.1 | 0 | 0 | 112 | A245 C246 Y251 E252 D253 | A245-Q249 PolarHBondContact O-N 3.08Å; C246-Q249 PolarHBondContact O-N 3.49Å; Q249-Y251 VanDerWaalsContact C-N 3.26Å; Q249-Y251 PolarHBondContact O-N 3.09Å; Q249-E252 PolarHBondContact O-N 3.33Å; Q249-D253 WeakPolarHBondContact O-CB 3.39Å; Q249-D253 PolarHBondContact O-N 3.35Å |
| 250 | K | 80.6 | Confident | 82.4 | Confident | 150 Ų | 150 | 93.5 Ų | 93.5 | 65% | 0.652 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.3 | -34.6 | 175.4 | -171.4 | 176.4 | -178.6 | -178.3 | 0 | 112.4 | C246 R247 M248 T254 | C246-K250 PolarHBondContact O-N 3.32Å; R247-K250 PolarHBondContact O-N 3.05Å; M248-K250 VanDerWaalsContact C-N 3.34Å; M248-K250 PolarHBondContact O-N 2.85Å; K250-T254 WeakPolarHBondContact O-CB 3.41Å; K250-T254 PolarHBondContact O-N 2.96Å; K250-T254 VanDerWaalsContact O-N 3.08Å; K250-T254 PolarHBondContact O-OG1 3.43Å |
| 251 | Y | 79.4 | Confident | 82.8 | Confident | 150 Ų | 150 | 97.5 Ų | 97.5 | 59% | 0.588 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -67.7 | -45.5 | 175.4 | 177.9 | -95.8 | 0 | 0 | 0 | 111.2 | R247 M248 Q249 T254 K255 | R247-Y251 PolarHBondContact O-N 3.23Å; R247-Y251 VanDerWaalsContact O-N 3.09Å; M248-Y251 WeakPolarHBondContact O-CA 3.45Å; M248-Y251 WeakPolarHBondContact O-CB 3.29Å; M248-Y251 PolarHBondContact O-N 2.71Å; Q249-Y251 VanDerWaalsContact C-N 3.26Å; Q249-Y251 PolarHBondContact O-N 3.09Å; Y251-T254 PolarHBondContact O-N 3.36Å; Y251-K255 WeakPolarHBondContact O-CB 3.34Å; Y251-K255 PolarHBondContact O-N 2.96Å |
| 252 | E | 83.4 | Confident | 83.5 | Confident | 123 Ų | 123 | 97.4 Ų | 97.4 | 58% | 0.575 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64 | -40 | 176.1 | -69.1 | -174.1 | 161.2 | 0 | 0 | 112.8 | M248 Q249 T254 K255 S256 | M248-E252 PolarHBondContact O-N 3.14Å; Q249-E252 PolarHBondContact O-N 3.33Å; E252-T254 VanDerWaalsContact C-N 3.31Å; E252-T254 PolarHBondContact O-N 3.16Å; E252-K255 PolarHBondContact O-N 2.89Å; E252-S256 WeakPolarHBondContact O-CB 3.49Å; E252-S256 PolarHBondContact O-N 2.87Å; E252-S256 PolarHBondContact O-OG 2.97Å |
| 253 | D | 84.8 | Confident | 84.3 | Confident | 81 Ų | 81 | 103.4 Ų | 103.4 | 43% | 0.433 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 173.6 | -77.1 | -14.5 | 0 | 0 | 0 | 112.3 | Q249 S256 K257 | Q249-D253 WeakPolarHBondContact O-CB 3.39Å; Q249-D253 PolarHBondContact O-N 3.35Å; D253-S256 WeakPolarHBondContact CA-OG 3.37Å; D253-S256 PolarHBondContact O-OG 3.28Å; D253-S256 VanDerWaalsContact O-OG 3.04Å; D253-K257 WeakPolarHBondContact O-CD 3.3Å; D253-K257 VanDerWaalsContact O-CG 3.24Å; D253-K257 WeakPolarHBondContact O-CG 3.46Å; D253-K257 PolarHBondContact O-N 3.01Å |
| 254 | T | 86.9 | Confident | 84.8 | Confident | 65 Ų | 65 | 104 Ų | 104 | 40% | 0.399 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.3 | -45.9 | 177.5 | -54 | 0 | 0 | 0 | 0 | 110 | K250 Y251 E252 S256 K257 E258 | K250-T254 WeakPolarHBondContact O-CB 3.41Å; K250-T254 PolarHBondContact O-N 2.96Å; K250-T254 VanDerWaalsContact O-N 3.08Å; K250-T254 PolarHBondContact O-OG1 3.43Å; Y251-T254 PolarHBondContact O-N 3.36Å; E252-T254 VanDerWaalsContact C-N 3.31Å; E252-T254 PolarHBondContact O-N 3.16Å; T254-S256 PolarHBondContact O-N 3.29Å; T254-K257 PolarHBondContact O-N 3.47Å; T254-E258 WeakPolarHBondContact O-CG 3.23Å; T254-E258 PolarHBondContact O-N 3.25Å |
| 255 | K | 91.6 | Very high | 85.5 | Confident | 100 Ų | 100 | 105.2 Ų | 105.2 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 177.3 | -177.5 | -174.2 | 170.7 | -166.3 | 0 | 111.9 | Y251 E252 K257 E258 E259 | Y251-K255 WeakPolarHBondContact O-CB 3.34Å; Y251-K255 PolarHBondContact O-N 2.96Å; E252-K255 PolarHBondContact O-N 2.89Å; K255-K257 VanDerWaalsContact C-N 3.35Å; K255-K257 PolarHBondContact O-N 2.9Å; K255-E258 PolarHBondContact O-N 3.47Å; K255-E259 WeakPolarHBondContact CE-OE1 3.45Å; K255-E259 IonicContact NZ-OE1 3.75Å; K255-E259 WeakPolarHBondContact O-CG 3.46Å; K255-E259 PolarHBondContact O-N 3.46Å |
| 256 | S | 88.9 | Confident | 86.2 | Confident | 54 Ų | 54 | 110 Ų | 110 | 38% | 0.378 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 178.8 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | E252 D253 T254 Q260 | E252-S256 WeakPolarHBondContact O-CB 3.49Å; E252-S256 PolarHBondContact O-N 2.87Å; E252-S256 PolarHBondContact O-OG 2.97Å; D253-S256 WeakPolarHBondContact CA-OG 3.37Å; D253-S256 PolarHBondContact O-OG 3.28Å; D253-S256 VanDerWaalsContact O-OG 3.04Å; T254-S256 PolarHBondContact O-N 3.29Å; S256-Q260 WeakPolarHBondContact O-CB 3.4Å; S256-Q260 PolarHBondContact O-N 3.24Å |
| 257 | K | 91.8 | Very high | 86.9 | Confident | 142 Ų | 142 | 110.8 Ų | 110.8 | 62% | 0.617 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.8 | -45.1 | 171.7 | -74.5 | 172.5 | -177 | 176.3 | 0 | 112.1 | D253 T254 K255 Q260 E261 | D253-K257 WeakPolarHBondContact O-CD 3.3Å; D253-K257 VanDerWaalsContact O-CG 3.24Å; D253-K257 WeakPolarHBondContact O-CG 3.46Å; D253-K257 PolarHBondContact O-N 3.01Å; T254-K257 PolarHBondContact O-N 3.47Å; K255-K257 VanDerWaalsContact C-N 3.35Å; K255-K257 PolarHBondContact O-N 2.9Å; K257-Q260 PolarHBondContact O-N 2.82Å; K257-E261 WeakPolarHBondContact O-CG 3.48Å; K257-E261 PolarHBondContact O-N 2.9Å |
| 258 | E | 92.4 | Very high | 87.3 | Confident | 124 Ų | 124 | 107.3 Ų | 107.3 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.2 | -42.8 | 177 | -71.6 | 179 | 172.2 | 0 | 0 | 112.2 | T254 K255 Q260 E261 L262 | T254-E258 WeakPolarHBondContact O-CG 3.23Å; T254-E258 PolarHBondContact O-N 3.25Å; K255-E258 PolarHBondContact O-N 3.47Å; E258-Q260 VanDerWaalsContact C-N 3.32Å; E258-Q260 PolarHBondContact O-N 3.01Å; E258-E261 PolarHBondContact O-N 3.02Å; E258-L262 WeakPolarHBondContact O-CB 3.29Å; E258-L262 PolarHBondContact O-N 3.45Å |
| 259 | E | 92.1 | Very high | 87.4 | Confident | 100 Ų | 100 | 109.2 Ų | 109.2 | 47% | 0.467 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 175.1 | -75.2 | 179 | 172.5 | 0 | 0 | 111.6 | K255 L262 H263 | K255-E259 WeakPolarHBondContact CE-OE1 3.45Å; K255-E259 IonicContact NZ-OE1 3.75Å; K255-E259 WeakPolarHBondContact O-CG 3.46Å; K255-E259 PolarHBondContact O-N 3.46Å; E259-L262 PolarHBondContact O-N 3.25Å; E259-H263 PolarHBondContact O-CD2 3.23Å; E259-H263 VanDerWaalsContact O-CD2 3.28Å; E259-H263 PolarHBondContact O-N 2.87Å |
| 260 | Q | 91.4 | Very high | 87.5 | Confident | 131 Ų | 131 | 108.8 Ų | 108.8 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.6 | -43.3 | 177.9 | -172.2 | 141.9 | -0.1 | 0 | 0 | 112.5 | S256 K257 E258 L262 H263 D264 | S256-Q260 WeakPolarHBondContact O-CB 3.4Å; S256-Q260 PolarHBondContact O-N 3.24Å; K257-Q260 PolarHBondContact O-N 2.82Å; E258-Q260 VanDerWaalsContact C-N 3.32Å; E258-Q260 PolarHBondContact O-N 3.01Å; Q260-L262 VanDerWaalsContact C-N 3.32Å; Q260-L262 PolarHBondContact O-N 3.43Å; Q260-H263 PolarHBondContact O-N 3.38Å; Q260-D264 PolarHBondContact O-N 3.45Å |
| 261 | E | 91.9 | Very high | 87.5 | Confident | 130 Ų | 130 | 107.7 Ų | 107.7 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61 | -40.5 | 174.4 | -73.2 | -175 | 171 | 0 | 0 | 111.9 | K257 E258 D264 I265 | K257-E261 WeakPolarHBondContact O-CG 3.48Å; K257-E261 PolarHBondContact O-N 2.9Å; E258-E261 PolarHBondContact O-N 3.02Å; E261-D264 PolarHBondContact O-N 3.12Å; E261-I265 VanDerWaalsContact O-CG1 3.29Å; E261-I265 WeakPolarHBondContact O-CG1 3.33Å; E261-I265 PolarHBondContact O-N 3.45Å |
| 262 | L | 91.6 | Very high | 87.4 | Confident | 123 Ų | 123 | 107 Ų | 107 | 64% | 0.644 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.6 | -43.4 | 176 | -171.7 | 74.2 | 0 | 0 | 0 | 111.8 | E258 E259 Q260 D264 I265 H266 | E258-L262 WeakPolarHBondContact O-CB 3.29Å; E258-L262 PolarHBondContact O-N 3.45Å; E259-L262 PolarHBondContact O-N 3.25Å; Q260-L262 VanDerWaalsContact C-N 3.32Å; Q260-L262 PolarHBondContact O-N 3.43Å; L262-D264 VanDerWaalsContact C-N 3.33Å; L262-I265 PolarHBondContact O-N 3.38Å; L262-H266 PolarHBondContact O-N 3.2Å |
| 263 | H | 90 | Very high | 86.8 | Confident | 138 Ų | 138 | 108.9 Ų | 108.9 | 64% | 0.639 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.5 | -42.7 | 175.6 | -94.6 | -69.2 | 0 | 0 | 0 | 112 | E259 Q260 H266 S267 | E259-H263 PolarHBondContact O-CD2 3.23Å; E259-H263 VanDerWaalsContact O-CD2 3.28Å; E259-H263 PolarHBondContact O-N 2.87Å; Q260-H263 PolarHBondContact O-N 3.38Å; H263-H266 PolarHBondContact O-N 2.94Å; H263-S267 WeakPolarHBondContact O-CB 3.4Å; H263-S267 PolarHBondContact O-N 2.91Å |
| 264 | D | 90.6 | Very high | 86.2 | Confident | 97 Ų | 97 | 111.2 Ų | 111.2 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | 178.1 | -77 | -21.1 | 0 | 0 | 0 | 111.5 | Q260 E261 L262 H266 S267 T268 | Q260-D264 PolarHBondContact O-N 3.45Å; E261-D264 PolarHBondContact O-N 3.12Å; L262-D264 VanDerWaalsContact C-N 3.33Å; D264-H266 VanDerWaalsContact C-N 3.32Å; D264-H266 PolarHBondContact O-N 3.45Å; D264-S267 WeakPolarHBondContact O-CB 3.37Å; D264-S267 PolarHBondContact O-N 2.8Å; D264-S267 VanDerWaalsContact O-N 3.13Å; D264-T268 PolarHBondContact O-N 3.33Å; D264-T268 PolarHBondContact O-OG1 2.98Å |
| 265 | I | 91.3 | Very high | 85.5 | Confident | 110 Ų | 110 | 113.8 Ų | 113.8 | 56% | 0.564 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -58.6 | -42.9 | 176.3 | -68 | 165.2 | 0 | 0 | 0 | 111.5 | E261 L262 S267 T268 R269 | E261-I265 VanDerWaalsContact O-CG1 3.29Å; E261-I265 WeakPolarHBondContact O-CG1 3.33Å; E261-I265 PolarHBondContact O-N 3.45Å; L262-I265 PolarHBondContact O-N 3.38Å; I265-S267 VanDerWaalsContact C-N 3.32Å; I265-T268 WeakPolarHBondContact CA-OG1 3.38Å; I265-T268 PolarHBondContact O-OG1 3.03Å; I265-R269 WeakPolarHBondContact O-CB 3.39Å; I265-R269 PolarHBondContact O-N 3.39Å |
| 266 | H | 88.7 | Confident | 84.4 | Confident | 133 Ų | 133 | 112.7 Ų | 112.7 | 62% | 0.616 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.1 | -35.9 | 178.2 | -167.6 | -110.9 | 0 | 0 | 0 | 111.9 | L262 H263 D264 S270 | L262-H266 PolarHBondContact O-N 3.2Å; H263-H266 PolarHBondContact O-N 2.94Å; D264-H266 VanDerWaalsContact C-N 3.32Å; D264-H266 PolarHBondContact O-N 3.45Å; H266-S270 WeakPolarHBondContact O-CB 3.37Å; H266-S270 PolarHBondContact O-N 3.13Å; H266-S270 PolarHBondContact O-OG 3.44Å |
| 267 | S | 85.6 | Confident | 83 | Confident | 47 Ų | 47 | 120.3 Ų | 120.3 | 33% | 0.329 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.4 | -43.1 | 175.4 | -172.8 | 0 | 0 | 0 | 0 | 112.7 | H263 D264 I265 S270 K271 | H263-S267 WeakPolarHBondContact O-CB 3.4Å; H263-S267 PolarHBondContact O-N 2.91Å; D264-S267 WeakPolarHBondContact O-CB 3.37Å; D264-S267 PolarHBondContact O-N 2.8Å; D264-S267 VanDerWaalsContact O-N 3.13Å; I265-S267 VanDerWaalsContact C-N 3.32Å; S267-S270 WeakPolarHBondContact CA-OG 3.04Å; S267-S270 PolarHBondContact O-OG 3.01Å; S267-K271 WeakPolarHBondContact O-CG 3.35Å; S267-K271 PolarHBondContact O-N 3.33Å; S267-K271 VanDerWaalsContact O-N 3.13Å |
| 268 | T | 84.6 | Confident | 81.2 | Confident | 80 Ų | 80 | 122 Ų | 122 | 49% | 0.491 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.2 | -46.6 | 174.2 | 17.4 | 0 | 0 | 0 | 0 | 111.4 | D264 I265 S270 K271 E272 | D264-T268 PolarHBondContact O-N 3.33Å; D264-T268 PolarHBondContact O-OG1 2.98Å; I265-T268 WeakPolarHBondContact CA-OG1 3.38Å; I265-T268 PolarHBondContact O-OG1 3.03Å; T268-S270 VanDerWaalsContact C-N 3.3Å; T268-S270 PolarHBondContact O-N 3.13Å; T268-K271 PolarHBondContact O-N 3.01Å; T268-E272 PolarHBondContact O-N 3.4Å |
| 269 | R | 81.3 | Confident | 80.6 | Confident | 152 Ų | 152 | 121.9 Ų | 121.9 | 57% | 0.574 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62 | -37 | -179.9 | -166.2 | -179.3 | -168.5 | -172.6 | 4.5 | 112.8 | I265 R273 | I265-R269 WeakPolarHBondContact O-CB 3.39Å; I265-R269 PolarHBondContact O-N 3.39Å; R269-R273 WeakPolarHBondContact O-CG 3.47Å; R269-R273 PolarHBondContact O-N 3.39Å; R269-R273 VanDerWaalsContact O-N 3.13Å |
| 270 | S | 79.2 | Confident | 80 | Confident | 54 Ų | 54 | 123.1 Ų | 123.1 | 38% | 0.378 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.9 | -39.2 | 176.6 | 49.8 | 0 | 0 | 0 | 0 | 112.4 | H266 S267 T268 R273 L274 | H266-S270 WeakPolarHBondContact O-CB 3.37Å; H266-S270 PolarHBondContact O-N 3.13Å; H266-S270 PolarHBondContact O-OG 3.44Å; S267-S270 WeakPolarHBondContact CA-OG 3.04Å; S267-S270 PolarHBondContact O-OG 3.01Å; T268-S270 VanDerWaalsContact C-N 3.3Å; T268-S270 PolarHBondContact O-N 3.13Å; S270-R273 PolarHBondContact O-N 2.93Å; S270-L274 PolarHBondContact O-N 3.16Å |
| 271 | K | 79.3 | Confident | 79.4 | Confident | 128 Ų | 128 | 122.6 Ų | 122.6 | 56% | 0.557 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.1 | -43.7 | 173.1 | -74.5 | 173.7 | -179.4 | 169.8 | 0 | 112.9 | S267 T268 R273 L274 N275 | S267-K271 WeakPolarHBondContact O-CG 3.35Å; S267-K271 PolarHBondContact O-N 3.33Å; S267-K271 VanDerWaalsContact O-N 3.13Å; T268-K271 PolarHBondContact O-N 3.01Å; K271-R273 VanDerWaalsContact C-N 3.31Å; K271-R273 PolarHBondContact O-N 3.06Å; K271-L274 PolarHBondContact O-N 3.44Å; K271-L274 VanDerWaalsContact O-N 3.16Å; K271-N275 VanDerWaalsContact O-CG 3.31Å; K271-N275 PolarHBondContact O-N 3.31Å |
| 272 | E | 78.2 | Confident | 78.7 | Confident | 136 Ų | 136 | 122.2 Ų | 122.2 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -59.9 | -42.2 | 175.1 | -75.3 | -178.3 | 164 | 0 | 0 | 111.8 | T268 L274 N275 A276 | T268-E272 PolarHBondContact O-N 3.4Å; E272-L274 VanDerWaalsContact C-N 3.35Å; E272-L274 PolarHBondContact O-N 3.04Å; E272-N275 PolarHBondContact O-N 3.41Å; E272-A276 PolarHBondContact O-N 3.41Å; E272-A276 VanDerWaalsContact O-N 3.1Å |
| 273 | R | 71.9 | Confident | 77.9 | Confident | 162 Ų | 162 | 122.1 Ų | 122.1 | 61% | 0.611 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.4 | -40.7 | 174.1 | -77.1 | -164 | -176.1 | -165.1 | 3.9 | 112.2 | R269 S270 K271 A276 Y277 | R269-R273 WeakPolarHBondContact O-CG 3.47Å; R269-R273 PolarHBondContact O-N 3.39Å; R269-R273 VanDerWaalsContact O-N 3.13Å; S270-R273 PolarHBondContact O-N 2.93Å; K271-R273 VanDerWaalsContact C-N 3.31Å; K271-R273 PolarHBondContact O-N 3.06Å; R273-A276 PolarHBondContact O-N 3.48Å; R273-Y277 VanDerWaalsContact O-CD2 3.3Å; R273-Y277 WeakPolarHBondContact O-CD2 3.3Å |
| 274 | L | 71.2 | Confident | 77.1 | Confident | 130 Ų | 130 | 121.1 Ų | 121.1 | 68% | 0.681 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64 | -42.9 | 178.7 | -129.2 | 86.6 | 0 | 0 | 0 | 111.8 | S270 K271 E272 A276 Y277 | S270-L274 PolarHBondContact O-N 3.16Å; K271-L274 PolarHBondContact O-N 3.44Å; K271-L274 VanDerWaalsContact O-N 3.16Å; E272-L274 VanDerWaalsContact C-N 3.35Å; E272-L274 PolarHBondContact O-N 3.04Å; L274-A276 VanDerWaalsContact C-N 3.29Å; L274-A276 PolarHBondContact O-N 3.49Å; L274-Y277 PolarHBondContact O-N 3.41Å |
| 275 | N | 71.7 | Confident | 76.1 | Confident | 118 Ų | 118 | 122.8 Ų | 122.8 | 63% | 0.631 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.4 | -23.9 | -179.1 | -66.1 | -15.2 | 0 | 0 | 0 | 113 | K271 E272 Y277 T278 | K271-N275 VanDerWaalsContact O-CG 3.31Å; K271-N275 PolarHBondContact O-N 3.31Å; E272-N275 PolarHBondContact O-N 3.41Å; N275-Y277 PolarHBondContact O-N 3.1Å; N275-T278 PolarHBondContact O-N 3.13Å |
| 276 | A | 68 | Low | 74.9 | Confident | 78 Ų | 78 | 123.8 Ų | 123.8 | 65% | 0.645 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -13.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E272 R273 L274 | E272-A276 PolarHBondContact O-N 3.41Å; E272-A276 VanDerWaalsContact O-N 3.1Å; R273-A276 PolarHBondContact O-N 3.48Å; L274-A276 VanDerWaalsContact C-N 3.29Å; L274-A276 PolarHBondContact O-N 3.49Å |
| 277 | Y | 60.5 | Low | 73.8 | Confident | 214 Ų | 214 | 123 Ų | 123 | 84% | 0.839 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | 4.7 | 177.5 | -77.8 | -88.6 | 0 | 0 | 0 | 113.5 | R273 L274 N275 | R273-Y277 VanDerWaalsContact O-CD2 3.3Å; R273-Y277 WeakPolarHBondContact O-CD2 3.3Å; L274-Y277 PolarHBondContact O-N 3.41Å; N275-Y277 PolarHBondContact O-N 3.1Å |
| 278 | T | 53.9 | Low | 72.7 | Confident | 177 Ų | 177 | 129.9 Ų | 129.9 | 100% | 1.086 | 65% | 0.648 | S | S | * | * | trans | -109.6 | 0 | 173.9 | -44.6 | 0 | 0 | 0 | 0 | 109.6 | N275 | N275-T278 PolarHBondContact O-N 3.13Š|
Retrieved 278 of 278 residues in 253.5 ms
(Link to these results)