| 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 | 43.8 | Very low | 42.6 | Very low | 247 Ų | 247 | 181.2 Ų | 181.2 | 100% | 1.217 | 85% | 0.852 | S | S | * | * | 0 | 89.1 | 0 | -69.5 | 178.6 | -173 | 0 | 0 | 107.7 | |||||
| 2 | L | 36.6 | Very low | 44.6 | Very low | 181 Ų | 181 | 170.1 Ų | 170.1 | 95% | 0.948 | 80% | 0.802 | S | S | * | * | trans | -100.8 | 106.4 | 170.9 | -89.2 | 159.6 | 0 | 0 | 0 | 106.4 | R4 | L2-R4 PolarHBondContact O-N 3.3Å; L2-R4 VanDerWaalsContact O-N 3.07Å | ||
| 3 | E | 40.3 | Very low | 47 | Very low | 179 Ų | 179 | 160.8 Ų | 160.8 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | -61.2 | 104 | -179.8 | -165 | 169.5 | -170.2 | 0 | 0 | 108.9 | R5 | E3-R5 VanDerWaalsContact C-N 3.28Å; E3-R5 PolarHBondContact O-N 3.13Å | ||
| 4 | R | 37.3 | Very low | 49.1 | Very low | 240 Ų | 240 | 158.8 Ų | 158.8 | 91% | 0.906 | 75% | 0.748 | S | S | * | * | trans | -61.1 | 95 | 165.7 | -81.9 | -175.2 | -170.5 | 168.5 | 2.5 | 106.9 | L2 G6 | L2-R4 PolarHBondContact O-N 3.3Å; L2-R4 VanDerWaalsContact O-N 3.07Å; R4-G6 PolarHBondContact O-N 3.24Å | ||
| 5 | R | 39 | Very low | 51.1 | Low | 219 Ų | 219 | 157.2 Ų | 157.2 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | trans | -57.8 | 107 | 164.8 | -73.8 | -174.2 | -157.5 | 168.8 | 7.2 | 106.8 | E3 Y7 | E3-R5 VanDerWaalsContact C-N 3.28Å; E3-R5 PolarHBondContact O-N 3.13Å; R5-Y7 PolarHBondContact O-N 3.32Å | ||
| 6 | G | 36.4 | Very low | 53.3 | Low | 76 Ų | 76 | 152.6 Ų | 152.6 | 78% | 0.784 | 72% | 0.723 | S | S | * | * | trans | -61.9 | 89.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | R4 R8 | R4-G6 PolarHBondContact O-N 3.24Å; G6-R8 PolarHBondContact O-N 2.87Å | ||
| 7 | Y | 40.3 | Very low | 55.1 | Low | 213 Ų | 213 | 144.1 Ų | 144.1 | 84% | 0.835 | 68% | 0.683 | S | S | * | * | trans | -63.3 | 102 | 161.5 | -114.4 | -95.5 | 0 | 0 | 0 | 106.1 | R5 S9 | R5-Y7 PolarHBondContact O-N 3.32Å; Y7-S9 PolarHBondContact O-N 3.11Å | ||
| 8 | R | 38.9 | Very low | 56.7 | Low | 241 Ų | 241 | 141.4 Ų | 141.4 | 91% | 0.909 | 67% | 0.668 | S | S | * | * | trans | -61.5 | 92.5 | 159.1 | -83.1 | -174.9 | -167.1 | -170.9 | 3.6 | 105.8 | G6 L10 | G6-R8 PolarHBondContact O-N 2.87Å; R8-L10 PolarHBondContact O-N 3.35Å | ||
| 9 | S | 47 | Very low | 58.5 | Low | 80 Ų | 80 | 141.6 Ų | 141.6 | 56% | 0.559 | 66% | 0.662 | S | S | * | * | trans | -59.2 | 123.5 | 170.7 | 61.1 | 0 | 0 | 0 | 0 | 106.7 | Y7 H11 | Y7-S9 PolarHBondContact O-N 3.11Å; S9-H11 PolarHBondContact O-N 3.46Å | ||
| 10 | L | 52.7 | Low | 60.1 | Low | 141 Ų | 141 | 140.3 Ų | 140.3 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | trans | -53 | 109.3 | 163.2 | -117.3 | 95.8 | 0 | 0 | 0 | 105.2 | R8 I12 | R8-L10 PolarHBondContact O-N 3.35Å; L10-I12 HydrophobicContact CB-CD1 4.29Å; L10-I12 HydrophobicContact CB-CG1 4.26Å; L10-I12 HydrophobicContact CD2-CD1 3.76Å; L10-I12 HydrophobicContact CD2-CG1 4.04Å; L10-I12 PolarHBondContact O-N 3.17Å | ||
| 11 | H | 56 | Low | 61.5 | Low | 176 Ų | 176 | 133.8 Ų | 133.8 | 82% | 0.815 | 62% | 0.621 | S | S | * | * | trans | -76.9 | 58.3 | -175.5 | -155.4 | -61.7 | 0 | 0 | 0 | 109.6 | S9 S13 | S9-H11 PolarHBondContact O-N 3.46Å; H11-S13 PolarHBondContact O-N 3.14Å | ||
| 12 | I | 67 | Low | 63.7 | Low | 48 Ų | 48 | 124.9 Ų | 124.9 | 25% | 0.246 | 58% | 0.583 | C | S | . | * | trans | -70 | 115.6 | 172.1 | -65.8 | 168.8 | 0 | 0 | 0 | 106.2 | L10 Q16 L17 I266 | L10-I12 HydrophobicContact CB-CD1 4.29Å; L10-I12 HydrophobicContact CB-CG1 4.26Å; L10-I12 HydrophobicContact CD2-CD1 3.76Å; L10-I12 HydrophobicContact CD2-CG1 4.04Å; L10-I12 PolarHBondContact O-N 3.17Å; I12-Q16 HydrophobicContact CG2-CB 4.14Å; I12-L17 HydrophobicContact CG2-CB 4.29Å; I12-L17 HydrophobicContact CG2-CD1 4.23Å; I12-I266 HydrophobicContact CD1-CG2 4.11Å | ||
| 13 | S | 76.2 | Confident | 66.4 | Low | 50 Ų | 50 | 122.2 Ų | 122.2 | 35% | 0.35 | 56% | 0.561 | S | S | . | * | trans | -65.8 | 144.7 | 178.2 | 74.7 | 0 | 0 | 0 | 0 | 110.3 | H11 L15 Q16 L17 | H11-S13 PolarHBondContact O-N 3.14Å; S13-L15 PolarHBondContact O-N 3.33Å; S13-Q16 WeakPolarHBondContact O-CB 3.48Å; S13-Q16 PolarHBondContact O-N 3.29Å; S13-Q16 VanDerWaalsContact OG-CG 3.23Å; S13-Q16 WeakPolarHBondContact OG-CG 3.48Å; S13-Q16 PolarHBondContact OG-N 3.25Å; S13-L17 PolarHBondContact O-N 3Å; S13-L17 VanDerWaalsContact O-N 3.11Å | ||
| 14 | R | 75.7 | Confident | 68.9 | Low | 132 Ų | 132 | 114.3 Ų | 114.3 | 50% | 0.498 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -52.4 | -32.4 | 175.9 | -73.6 | -174.2 | 177.1 | -173.1 | -1.9 | 112.3 | L17 K18 F270 | R14-L17 PolarHBondContact O-N 2.64Å; R14-K18 WeakPolarHBondContact O-CB 3.39Å; R14-K18 PolarHBondContact O-N 3.31Å; R14-F270 HydrophobicContact CG-CE1 3.96Å; R14-F270 HydrophobicContact CG-CZ 3.82Å |
| 15 | L | 80 | Confident | 71.6 | Confident | 135 Ų | 135 | 103.6 Ų | 103.6 | 71% | 0.707 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.5 | -42.9 | 177 | -164.7 | 75.9 | 0 | 0 | 0 | 112.1 | S13 K18 R19 | S13-L15 PolarHBondContact O-N 3.33Å; L15-K18 PolarHBondContact O-N 3.1Å; L15-R19 WeakPolarHBondContact O-CB 3.41Å; L15-R19 PolarHBondContact O-N 3.06Å |
| 16 | Q | 86 | Confident | 74.2 | Confident | 84 Ų | 84 | 96.9 Ų | 96.9 | 39% | 0.393 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 175.1 | -71.5 | -72.5 | -19.7 | 0 | 0 | 110 | I12 S13 K18 R19 W20 | I12-Q16 HydrophobicContact CG2-CB 4.14Å; S13-Q16 WeakPolarHBondContact O-CB 3.48Å; S13-Q16 PolarHBondContact O-N 3.29Å; S13-Q16 VanDerWaalsContact OG-CG 3.23Å; S13-Q16 WeakPolarHBondContact OG-CG 3.48Å; S13-Q16 PolarHBondContact OG-N 3.25Å; Q16-K18 VanDerWaalsContact C-N 3.32Å; Q16-K18 PolarHBondContact O-N 2.98Å; Q16-R19 WeakPolarHBondContact O-CB 3.26Å; Q16-R19 PolarHBondContact O-N 2.94Å; Q16-W20 PolarHBondContact O-N 3.32Å |
| 17 | L | 82.9 | Confident | 77 | Confident | 7 Ų | 7 | 94.4 Ų | 94.4 | 4% | 0.037 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -59.3 | -42.2 | -179.5 | -158.6 | 72.5 | 0 | 0 | 0 | 112.5 | I12 S13 R14 R19 S21 L263 I266 L267 | I12-L17 HydrophobicContact CG2-CB 4.29Å; I12-L17 HydrophobicContact CG2-CD1 4.23Å; S13-L17 PolarHBondContact O-N 3Å; S13-L17 VanDerWaalsContact O-N 3.11Å; R14-L17 PolarHBondContact O-N 2.64Å; L17-R19 VanDerWaalsContact C-N 3.35Å; L17-R19 PolarHBondContact O-N 3.48Å; L17-S21 WeakPolarHBondContact O-CB 3.37Å; L17-S21 PolarHBondContact O-N 3.15Å; L17-L263 HydrophobicContact CD1-CD1 4.28Å; L17-L263 HydrophobicContact CD1-CG 4.48Å; L17-I266 HydrophobicContact CD1-CG2 4.38Å; L17-L267 HydrophobicContact CD1-CD2 4.38Å; L17-L267 HydrophobicContact CD1-CG 4.26Å; L17-L267 HydrophobicContact CD2-CD2 3.27Å; L17-L267 HydrophobicContact CD2-CG 3.99Å; L17-L267 HydrophobicContact CG-CD2 3.8Å; L17-L267 HydrophobicContact CG-CG 4.2Å |
| 18 | K | 85 | Confident | 79.7 | Confident | 97 Ų | 97 | 84.2 Ų | 84.2 | 42% | 0.422 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 173.2 | -175.1 | -179.4 | 176.5 | -178.3 | 0 | 111.5 | R14 L15 Q16 S21 S22 F87 | R14-K18 WeakPolarHBondContact O-CB 3.39Å; R14-K18 PolarHBondContact O-N 3.31Å; L15-K18 PolarHBondContact O-N 3.1Å; Q16-K18 VanDerWaalsContact C-N 3.32Å; Q16-K18 PolarHBondContact O-N 2.98Å; K18-S21 PolarHBondContact O-N 2.86Å; K18-S22 WeakPolarHBondContact O-CB 3.36Å; K18-S22 PolarHBondContact O-N 2.94Å; K18-F87 HydrophobicContact CB-CD1 4.17Å; K18-F87 HydrophobicContact CB-CD2 4.29Å; K18-F87 HydrophobicContact CB-CE1 3.8Å; K18-F87 HydrophobicContact CB-CE2 3.94Å; K18-F87 HydrophobicContact CB-CG 4.4Å; K18-F87 HydrophobicContact CB-CZ 3.68Å; K18-F87 HydrophobicContact CD-CB 4.28Å; K18-F87 HydrophobicContact CD-CD1 4.09Å; K18-F87 HydrophobicContact CD-CD2 4.43Å; K18-F87 HydrophobicContact CD-CG 4.01Å; K18-F87 HydrophobicContact CG-CD1 4.28Å; K18-F87 HydrophobicContact CG-CD2 4.02Å; K18-F87 HydrophobicContact CG-CE1 4.38Å; K18-F87 HydrophobicContact CG-CE2 4.14Å; K18-F87 HydrophobicContact CG-CG 4.1Å; K18-F87 HydrophobicContact CG-CZ 4.31Å |
| 19 | R | 90.3 | Very high | 82.4 | Confident | 145 Ų | 145 | 74.8 Ų | 74.8 | 55% | 0.547 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.8 | -47.5 | -179 | -178.3 | 176.5 | -104.9 | -173.6 | -5.5 | 111.4 | L15 Q16 L17 S21 S22 Y23 | L15-R19 WeakPolarHBondContact O-CB 3.41Å; L15-R19 PolarHBondContact O-N 3.06Å; Q16-R19 WeakPolarHBondContact O-CB 3.26Å; Q16-R19 PolarHBondContact O-N 2.94Å; L17-R19 VanDerWaalsContact C-N 3.35Å; L17-R19 PolarHBondContact O-N 3.48Å; R19-S21 PolarHBondContact O-N 2.96Å; R19-S22 WeakPolarHBondContact O-CB 3.25Å; R19-S22 PolarHBondContact O-N 2.86Å; R19-S22 VanDerWaalsContact O-N 3.16Å; R19-Y23 HydrophobicContact CG-CD2 3.98Å; R19-Y23 HydrophobicContact CG-CE2 3.32Å; R19-Y23 PolarHBondContact NE-OH 3.46Å; R19-Y23 WeakPolarHBondContact O-CD2 3.3Å; R19-Y23 PolarHBondContact O-N 3.5Å |
| 20 | W | 90.3 | Very high | 84.7 | Confident | 114 Ų | 114 | 76.3 Ų | 76.3 | 43% | 0.432 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 176 | -71.3 | 111.1 | 0 | 0 | 0 | 112.4 | Q16 S22 Y23 L24 F259 L263 | Q16-W20 PolarHBondContact O-N 3.32Å; W20-S22 VanDerWaalsContact C-N 3.27Å; W20-S22 PolarHBondContact O-N 3.5Å; W20-Y23 PolarHBondContact O-N 2.85Å; W20-L24 PolarHBondContact O-N 2.83Å; W20-F259 HydrophobicContact CE3-CE1 4.12Å; W20-F259 HydrophobicContact CE3-CZ 4.07Å; W20-F259 HydrophobicContact CZ3-CE1 4.5Å; W20-F259 HydrophobicContact CZ3-CZ 4.21Å; W20-L263 HydrophobicContact CB-CD1 3.92Å; W20-L263 HydrophobicContact CB-CD2 4.49Å |
| 21 | S | 89.1 | Confident | 86.8 | Confident | 4 Ų | 4 | 70.5 Ų | 70.5 | 3% | 0.028 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.5 | -33.2 | 176.7 | -167.6 | 0 | 0 | 0 | 0 | 112.2 | L17 K18 R19 A25 Q79 I83 | L17-S21 WeakPolarHBondContact O-CB 3.37Å; L17-S21 PolarHBondContact O-N 3.15Å; K18-S21 PolarHBondContact O-N 2.86Å; R19-S21 PolarHBondContact O-N 2.96Å; S21-A25 WeakPolarHBondContact O-CB 3.42Å; S21-A25 PolarHBondContact O-N 3Å; S21-A25 VanDerWaalsContact O-N 3.07Å; S21-Q79 PolarHBondContact O-NE2 3.47Å; S21-Q79 PolarHBondContact OG-NE2 3.03Å; S21-Q79 VanDerWaalsContact OG-NE2 3.16Å; S21-I83 WeakPolarHBondContact OG-CD1 3.49Å; S21-I83 WeakPolarHBondContact OG-CG1 3.33Å |
| 22 | S | 91.1 | Very high | 88.7 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 42% | 0.42 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 174.8 | -168.1 | 0 | 0 | 0 | 0 | 112 | K18 R19 W20 L24 A25 T26 | K18-S22 WeakPolarHBondContact O-CB 3.36Å; K18-S22 PolarHBondContact O-N 2.94Å; R19-S22 WeakPolarHBondContact O-CB 3.25Å; R19-S22 PolarHBondContact O-N 2.86Å; R19-S22 VanDerWaalsContact O-N 3.16Å; W20-S22 VanDerWaalsContact C-N 3.27Å; W20-S22 PolarHBondContact O-N 3.5Å; S22-L24 VanDerWaalsContact C-N 3.34Å; S22-A25 PolarHBondContact O-N 3.43Å; S22-T26 PolarHBondContact O-N 3.32Å; S22-T26 VanDerWaalsContact O-N 3.11Å; S22-T26 PolarHBondContact O-OG1 3.07Å |
| 23 | Y | 93.4 | Very high | 90.1 | Very high | 126 Ų | 126 | 67.2 Ų | 67.2 | 49% | 0.494 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 177.3 | -67.7 | -38.6 | 0 | 0 | 0 | 112.1 | R19 W20 T26 A27 | R19-Y23 HydrophobicContact CG-CD2 3.98Å; R19-Y23 HydrophobicContact CG-CE2 3.32Å; R19-Y23 PolarHBondContact NE-OH 3.46Å; R19-Y23 WeakPolarHBondContact O-CD2 3.3Å; R19-Y23 PolarHBondContact O-N 3.5Å; W20-Y23 PolarHBondContact O-N 2.85Å; Y23-T26 PolarHBondContact O-N 3.29Å; Y23-A27 PolarHBondContact O-N 3.44Å |
| 24 | L | 93.1 | Very high | 91 | Very high | 13 Ų | 13 | 66.9 Ų | 66.9 | 7% | 0.068 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.8 | -39 | 175.7 | -77.7 | 175.1 | 0 | 0 | 0 | 112.7 | W20 S22 T26 A27 F28 I256 F259 S260 L263 | W20-L24 PolarHBondContact O-N 2.83Å; S22-L24 VanDerWaalsContact C-N 3.34Å; L24-T26 VanDerWaalsContact C-N 3.33Å; L24-T26 PolarHBondContact O-N 2.94Å; L24-A27 PolarHBondContact O-N 3.27Å; L24-F28 PolarHBondContact O-N 3.44Å; L24-I256 HydrophobicContact CD2-CG2 3.93Å; L24-F259 HydrophobicContact CD1-CD1 4.05Å; L24-F259 HydrophobicContact CD1-CE1 4.2Å; L24-F259 HydrophobicContact CD2-CD1 4.06Å; L24-F259 HydrophobicContact CG-CD1 4.42Å; L24-S260 WeakPolarHBondContact CD2-OG 2.84Å; L24-L263 HydrophobicContact CD1-CB 4.34Å; L24-L263 HydrophobicContact CD1-CD2 3.87Å |
| 25 | A | 93.1 | Very high | 91.9 | Very high | 15 Ų | 15 | 60.6 Ų | 60.6 | 12% | 0.124 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61 | -43.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S21 S22 A27 F28 A29 L76 | S21-A25 WeakPolarHBondContact O-CB 3.42Å; S21-A25 PolarHBondContact O-N 3Å; S21-A25 VanDerWaalsContact O-N 3.07Å; S22-A25 PolarHBondContact O-N 3.43Å; A25-A27 VanDerWaalsContact C-N 3.34Å; A25-A27 PolarHBondContact O-N 2.94Å; A25-F28 PolarHBondContact O-N 3.13Å; A25-A29 PolarHBondContact O-N 2.87Å; A25-L76 HydrophobicContact CB-CD1 3.74Å; A25-L76 VanDerWaalsContact O-CD1 3.23Å; A25-L76 WeakPolarHBondContact O-CD1 3.34Å |
| 26 | T | 94 | Very high | 92.7 | Very high | 77 Ų | 77 | 56.4 Ų | 56.4 | 47% | 0.472 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 174.2 | -51.4 | 0 | 0 | 0 | 0 | 111.7 | S22 Y23 L24 A29 I30 | S22-T26 PolarHBondContact O-N 3.32Å; S22-T26 VanDerWaalsContact O-N 3.11Å; S22-T26 PolarHBondContact O-OG1 3.07Å; Y23-T26 PolarHBondContact O-N 3.29Å; L24-T26 VanDerWaalsContact C-N 3.33Å; L24-T26 PolarHBondContact O-N 2.94Å; T26-A29 PolarHBondContact O-N 3.22Å; T26-I30 HydrophobicContact CG2-CD1 4.12Å; T26-I30 WeakPolarHBondContact O-CG1 3.45Å; T26-I30 PolarHBondContact O-N 3.03Å; T26-I30 VanDerWaalsContact O-N 3.08Å |
| 27 | A | 95.5 | Very high | 93 | Very high | 24 Ų | 24 | 54.8 Ų | 54.8 | 20% | 0.198 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y23 L24 A25 A29 I30 L31 I256 | Y23-A27 PolarHBondContact O-N 3.44Å; L24-A27 PolarHBondContact O-N 3.27Å; A25-A27 VanDerWaalsContact C-N 3.34Å; A25-A27 PolarHBondContact O-N 2.94Å; A27-A29 VanDerWaalsContact C-N 3.33Å; A27-A29 PolarHBondContact O-N 3.45Å; A27-I30 PolarHBondContact O-N 3.28Å; A27-L31 WeakPolarHBondContact O-CB 3.35Å; A27-L31 VanDerWaalsContact O-CG 3.31Å; A27-L31 WeakPolarHBondContact O-CG 3.45Å; A27-L31 PolarHBondContact O-N 2.9Å; A27-I256 HydrophobicContact CB-CG2 4.23Å |
| 28 | F | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.9 | -34.8 | 175.8 | -73 | -25.9 | 0 | 0 | 0 | 113.3 | L24 A25 S32 L72 L76 Y107 L111 I256 V257 S260 | L24-F28 PolarHBondContact O-N 3.44Å; A25-F28 PolarHBondContact O-N 3.13Å; F28-S32 WeakPolarHBondContact O-CB 3.36Å; F28-S32 PolarHBondContact O-N 3.44Å; F28-L72 HydrophobicContact CD1-CD2 3.83Å; F28-L72 HydrophobicContact CE1-CD2 3.88Å; F28-L76 HydrophobicContact CB-CB 4.17Å; F28-L76 HydrophobicContact CB-CD1 4.44Å; F28-Y107 HydrophobicContact CE2-CE2 4.07Å; F28-L111 HydrophobicContact CE2-CD2 4.07Å; F28-L111 HydrophobicContact CZ-CD2 3.65Å; F28-I256 HydrophobicContact CD1-CG2 4.3Å; F28-I256 HydrophobicContact CE1-CG2 3.91Å; F28-V257 HydrophobicContact CE1-CG2 4.1Å; F28-S260 VanDerWaalsContact CZ-OG 3.23Å; F28-S260 WeakPolarHBondContact CZ-OG 3.4Å |
| 29 | A | 96.2 | Very high | 93.7 | Very high | 43 Ų | 43 | 50.8 Ų | 50.8 | 36% | 0.355 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.6 | -47.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | A25 T26 A27 F33 L76 | A25-A29 PolarHBondContact O-N 2.87Å; T26-A29 PolarHBondContact O-N 3.22Å; A27-A29 VanDerWaalsContact C-N 3.33Å; A27-A29 PolarHBondContact O-N 3.45Å; A29-F33 WeakPolarHBondContact O-CB 3.48Å; A29-F33 PolarHBondContact O-N 3.35Å; A29-L76 HydrophobicContact CB-CD2 3.82Å |
| 30 | I | 96.1 | Very high | 93.8 | Very high | 112 Ų | 112 | 47.7 Ų | 47.7 | 57% | 0.574 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.6 | -47.9 | 179.2 | -64.8 | 167.8 | 0 | 0 | 0 | 110.6 | T26 A27 F33 A34 | T26-I30 HydrophobicContact CG2-CD1 4.12Å; T26-I30 WeakPolarHBondContact O-CG1 3.45Å; T26-I30 PolarHBondContact O-N 3.03Å; T26-I30 VanDerWaalsContact O-N 3.08Å; A27-I30 PolarHBondContact O-N 3.28Å; I30-F33 PolarHBondContact O-N 3.04Å; I30-A34 WeakPolarHBondContact O-CB 3.5Å; I30-A34 PolarHBondContact O-N 3.47Å |
| 31 | L | 96.1 | Very high | 93.7 | Very high | 19 Ų | 19 | 47.5 Ų | 47.5 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 179.8 | -72.1 | 173 | 0 | 0 | 0 | 111.6 | A27 F33 A34 F35 L72 I256 | A27-L31 WeakPolarHBondContact O-CB 3.35Å; A27-L31 VanDerWaalsContact O-CG 3.31Å; A27-L31 WeakPolarHBondContact O-CG 3.45Å; A27-L31 PolarHBondContact O-N 2.9Å; L31-F33 VanDerWaalsContact C-N 3.31Å; L31-F33 PolarHBondContact O-N 3.05Å; L31-A34 PolarHBondContact O-N 3.09Å; L31-A34 VanDerWaalsContact O-N 3.17Å; L31-F35 HydrophobicContact CB-CD2 4.37Å; L31-F35 HydrophobicContact CB-CE2 4.5Å; L31-F35 HydrophobicContact CD2-CE2 4.41Å; L31-F35 WeakPolarHBondContact O-CB 3.35Å; L31-F35 WeakPolarHBondContact O-CD2 3.39Å; L31-F35 PolarHBondContact O-N 3.44Å; L31-L72 HydrophobicContact CB-CD1 4Å; L31-I256 HydrophobicContact CD1-CB 4.35Å; L31-I256 HydrophobicContact CD1-CD1 3.78Å; L31-I256 HydrophobicContact CD1-CG2 4.26Å |
| 32 | S | 96.2 | Very high | 93.5 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.7 | -45.8 | 178.1 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | F28 F35 I36 G69 L73 | F28-S32 WeakPolarHBondContact O-CB 3.36Å; F28-S32 PolarHBondContact O-N 3.44Å; S32-F35 PolarHBondContact O-N 2.98Å; S32-I36 WeakPolarHBondContact O-CB 3.35Å; S32-I36 VanDerWaalsContact O-CG1 3.27Å; S32-I36 WeakPolarHBondContact O-CG1 3.25Å; S32-I36 PolarHBondContact O-N 3.25Å; S32-G69 PolarHBondContact OG-O 3.48Å; S32-L73 WeakPolarHBondContact OG-CB 3.01Å; S32-L73 WeakPolarHBondContact OG-CD1 3.37Å |
| 33 | F | 96.2 | Very high | 93.3 | Very high | 152 Ų | 152 | 48.6 Ų | 48.6 | 67% | 0.667 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.1 | -46 | 175.5 | -179 | -99.5 | 0 | 0 | 0 | 112.1 | A29 I30 L31 F35 I36 S37 | A29-F33 WeakPolarHBondContact O-CB 3.48Å; A29-F33 PolarHBondContact O-N 3.35Å; I30-F33 PolarHBondContact O-N 3.04Å; L31-F33 VanDerWaalsContact C-N 3.31Å; L31-F33 PolarHBondContact O-N 3.05Å; F33-F35 PolarHBondContact O-N 2.91Å; F33-I36 PolarHBondContact O-N 3.38Å; F33-S37 WeakPolarHBondContact O-CB 3.27Å; F33-S37 PolarHBondContact O-N 2.95Å; F33-S37 PolarHBondContact O-OG 3.28Å |
| 34 | A | 94.5 | Very high | 92.9 | Very high | 43 Ų | 43 | 50 Ų | 50 | 36% | 0.355 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I30 L31 S37 G38 | I30-A34 WeakPolarHBondContact O-CB 3.5Å; I30-A34 PolarHBondContact O-N 3.47Å; L31-A34 PolarHBondContact O-N 3.09Å; L31-A34 VanDerWaalsContact O-N 3.17Å; A34-S37 PolarHBondContact O-OG 3.34Å; A34-G38 WeakPolarHBondContact O-CA 3.45Å; A34-G38 PolarHBondContact O-N 2.96Å |
| 35 | F | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.7 | -41.8 | 177.3 | -86.3 | -68.6 | 0 | 0 | 0 | 112.4 | L31 S32 F33 G39 F65 I68 L72 V249 P250 S253 | L31-F35 HydrophobicContact CB-CD2 4.37Å; L31-F35 HydrophobicContact CB-CE2 4.5Å; L31-F35 HydrophobicContact CD2-CE2 4.41Å; L31-F35 WeakPolarHBondContact O-CB 3.35Å; L31-F35 WeakPolarHBondContact O-CD2 3.39Å; L31-F35 PolarHBondContact O-N 3.44Å; S32-F35 PolarHBondContact O-N 2.98Å; F33-F35 PolarHBondContact O-N 2.91Å; F35-G39 WeakPolarHBondContact O-CA 3.29Å; F35-G39 PolarHBondContact O-N 3.45Å; F35-F65 WeakPolarHBondContact CB-O 3.45Å; F35-F65 HydrophobicContact CD1-CB 4.25Å; F35-F65 AromaticContact CD1-CD1 3.6Å; F35-F65 HydrophobicContact CD1-CD1 3.6Å; F35-F65 HydrophobicContact CD1-CE1 4.03Å; F35-F65 AromaticContact CD1-CG 3.9Å; F35-F65 HydrophobicContact CD1-CG 3.9Å; F35-F65 HydrophobicContact CE1-CD1 4.05Å; F35-F65 HydrophobicContact CE1-CE1 4.03Å; F35-F65 HydrophobicContact CE1-CG 4.37Å; F35-F65 HydrophobicContact CE1-CZ 4.33Å; F35-I68 HydrophobicContact CD1-CB 4.29Å; F35-I68 HydrophobicContact CD1-CG2 3.91Å; F35-I68 HydrophobicContact CD2-CG2 3.84Å; F35-I68 HydrophobicContact CE1-CD1 4.44Å; F35-I68 HydrophobicContact CE1-CG2 4Å; F35-I68 HydrophobicContact CE2-CG2 3.94Å; F35-I68 HydrophobicContact CG-CB 4.46Å; F35-I68 HydrophobicContact CG-CG2 3.84Å; F35-I68 HydrophobicContact CZ-CG2 4.02Å; F35-L72 HydrophobicContact CD2-CD1 3.75Å; F35-L72 HydrophobicContact CE2-CD1 4.05Å; F35-V249 HydrophobicContact CE1-CG1 4.17Å; F35-V249 HydrophobicContact CE2-CG1 4.15Å; F35-V249 HydrophobicContact CZ-CG1 3.77Å; F35-P250 HydrophobicContact CE1-CG 4.18Å; F35-P250 HydrophobicContact CZ-CG 4.34Å; F35-S253 WeakPolarHBondContact CE2-OG 3.21Å |
| 36 | I | 95.8 | Very high | 90.2 | Very high | 47 Ų | 47 | 53.9 Ų | 53.9 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.9 | -48.6 | 178 | -66.9 | 170.7 | 0 | 0 | 0 | 110.2 | S32 F33 G39 I40 | S32-I36 WeakPolarHBondContact O-CB 3.35Å; S32-I36 VanDerWaalsContact O-CG1 3.27Å; S32-I36 WeakPolarHBondContact O-CG1 3.25Å; S32-I36 PolarHBondContact O-N 3.25Å; F33-I36 PolarHBondContact O-N 3.38Å; I36-G39 PolarHBondContact O-N 2.96Å; I36-I40 HydrophobicContact CG2-CD1 3.73Å; I36-I40 HydrophobicContact CG2-CG1 4.46Å; I36-I40 WeakPolarHBondContact O-CB 3.37Å; I36-I40 VanDerWaalsContact O-CG1 3.26Å; I36-I40 WeakPolarHBondContact O-CG1 3.32Å; I36-I40 PolarHBondContact O-N 3Å |
| 37 | S | 93.6 | Very high | 88.4 | Confident | 50 Ų | 50 | 58 Ų | 58 | 35% | 0.35 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | -179.3 | 63.9 | 0 | 0 | 0 | 0 | 111.9 | F33 A34 I40 W41 | F33-S37 WeakPolarHBondContact O-CB 3.27Å; F33-S37 PolarHBondContact O-N 2.95Å; F33-S37 PolarHBondContact O-OG 3.28Å; A34-S37 PolarHBondContact O-OG 3.34Å; S37-I40 PolarHBondContact O-N 3.14Å; S37-W41 VanDerWaalsContact O-CB 3.27Å; S37-W41 WeakPolarHBondContact O-CB 3.38Å; S37-W41 PolarHBondContact O-N 3.42Å |
| 38 | G | 90.4 | Very high | 86.5 | Confident | 21 Ų | 21 | 60.7 Ų | 60.7 | 22% | 0.216 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63 | -40.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | A34 W41 L42 | A34-G38 WeakPolarHBondContact O-CA 3.45Å; A34-G38 PolarHBondContact O-N 2.96Å; G38-W41 PolarHBondContact O-N 3.35Å; G38-L42 VanDerWaalsContact O-CG 3.3Å; G38-L42 WeakPolarHBondContact O-CG 3.48Å; G38-L42 PolarHBondContact O-N 2.86Å |
| 39 | G | 91.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F35 I36 W41 L42 L43 | F35-G39 WeakPolarHBondContact O-CA 3.29Å; F35-G39 PolarHBondContact O-N 3.45Å; I36-G39 PolarHBondContact O-N 2.96Å; G39-W41 VanDerWaalsContact C-N 3.34Å; G39-L42 PolarHBondContact O-N 2.92Å; G39-L43 VanDerWaalsContact O-CG 3.27Å; G39-L43 WeakPolarHBondContact O-CG 3.49Å; G39-L43 PolarHBondContact O-N 2.81Å; G39-L43 VanDerWaalsContact O-N 3.1Å |
| 40 | I | 91.9 | Very high | 83.4 | Confident | 79 Ų | 79 | 61.5 Ų | 61.5 | 41% | 0.405 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 174.4 | -67.7 | 167.3 | 0 | 0 | 0 | 110.4 | I36 S37 L42 L43 E44 V66 | I36-I40 HydrophobicContact CG2-CD1 3.73Å; I36-I40 HydrophobicContact CG2-CG1 4.46Å; I36-I40 WeakPolarHBondContact O-CB 3.37Å; I36-I40 VanDerWaalsContact O-CG1 3.26Å; I36-I40 WeakPolarHBondContact O-CG1 3.32Å; I36-I40 PolarHBondContact O-N 3Å; S37-I40 PolarHBondContact O-N 3.14Å; I40-L42 VanDerWaalsContact C-N 3.34Å; I40-L42 PolarHBondContact O-N 3.43Å; I40-L43 WeakPolarHBondContact O-CB 3.41Å; I40-L43 PolarHBondContact O-N 2.92Å; I40-E44 WeakPolarHBondContact O-CB 3.46Å; I40-E44 PolarHBondContact O-N 2.92Å; I40-V66 HydrophobicContact CG1-CG2 4.49Å |
| 41 | W | 88.5 | Confident | 81.9 | Confident | 111 Ų | 111 | 59 Ų | 59 | 42% | 0.42 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60 | -43 | 177.6 | -179.6 | 79.1 | 0 | 0 | 0 | 112.1 | S37 G38 G39 L43 E44 N45 | S37-W41 VanDerWaalsContact O-CB 3.27Å; S37-W41 WeakPolarHBondContact O-CB 3.38Å; S37-W41 PolarHBondContact O-N 3.42Å; G38-W41 PolarHBondContact O-N 3.35Å; G39-W41 VanDerWaalsContact C-N 3.34Å; W41-L43 VanDerWaalsContact C-N 3.27Å; W41-L43 PolarHBondContact O-N 3.37Å; W41-E44 PolarHBondContact O-N 3Å; W41-N45 HydrophobicContact CD2-CB 4.48Å; W41-N45 HydrophobicContact CG-CB 4.21Å; W41-N45 PolarHBondContact NE1-ND2 3.31Å; W41-N45 WeakPolarHBondContact O-CB 3.4Å; W41-N45 PolarHBondContact O-N 3.22Å |
| 42 | L | 84.8 | Confident | 80.3 | Confident | 11 Ų | 11 | 58.6 Ų | 58.6 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.2 | -32.3 | 174.3 | -71.2 | 169.2 | 0 | 0 | 0 | 112.6 | G38 G39 I40 Y58 E61 F65 | G38-L42 VanDerWaalsContact O-CG 3.3Å; G38-L42 WeakPolarHBondContact O-CG 3.48Å; G38-L42 PolarHBondContact O-N 2.86Å; G39-L42 PolarHBondContact O-N 2.92Å; I40-L42 VanDerWaalsContact C-N 3.34Å; I40-L42 PolarHBondContact O-N 3.43Å; L42-Y58 HydrophobicContact CD2-CD1 3.65Å; L42-Y58 HydrophobicContact CD2-CE1 3.94Å; L42-E61 HydrophobicContact CD1-CB 4.39Å; L42-F65 HydrophobicContact CD1-CG 4.46Å |
| 43 | L | 87.5 | Confident | 78.8 | Confident | 76 Ų | 76 | 59 Ų | 59 | 40% | 0.398 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -78 | -33.5 | 178.5 | -69.1 | 170.1 | 0 | 0 | 0 | 113.1 | G39 I40 W41 Y59 V63 V66 | G39-L43 VanDerWaalsContact O-CG 3.27Å; G39-L43 WeakPolarHBondContact O-CG 3.49Å; G39-L43 PolarHBondContact O-N 2.81Å; G39-L43 VanDerWaalsContact O-N 3.1Å; I40-L43 WeakPolarHBondContact O-CB 3.41Å; I40-L43 PolarHBondContact O-N 2.92Å; W41-L43 VanDerWaalsContact C-N 3.27Å; W41-L43 PolarHBondContact O-N 3.37Å; L43-Y59 HydrophobicContact CD2-CD2 3.77Å; L43-Y59 HydrophobicContact CD2-CE2 4.19Å; L43-Y59 HydrophobicContact CD2-CG 4.48Å; L43-V63 HydrophobicContact CD2-CG2 4.22Å; L43-V66 HydrophobicContact CD1-CG2 4.29Å |
| 44 | E | 83.9 | Confident | 77.4 | Confident | 156 Ų | 156 | 52.7 Ų | 52.7 | 73% | 0.729 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -102.1 | -41 | -169.7 | -166.6 | 161.8 | -161.1 | 0 | 0 | 113.3 | I40 W41 | I40-E44 WeakPolarHBondContact O-CB 3.46Å; I40-E44 PolarHBondContact O-N 2.92Å; W41-E44 PolarHBondContact O-N 3Å |
| 45 | N | 67.8 | Low | 76.2 | Confident | 103 Ų | 103 | 57.3 Ų | 57.3 | 55% | 0.551 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -95.7 | -2.6 | -159.5 | -159.6 | 57.5 | 0 | 0 | 0 | 115.5 | W41 | W41-N45 HydrophobicContact CD2-CB 4.48Å; W41-N45 HydrophobicContact CG-CB 4.21Å; W41-N45 PolarHBondContact NE1-ND2 3.31Å; W41-N45 WeakPolarHBondContact O-CB 3.4Å; W41-N45 PolarHBondContact O-N 3.22Å |
| 46 | N | 61.5 | Low | 75.3 | Confident | 6 Ų | 6 | 66.4 Ų | 66.4 | 3% | 0.032 | 31% | 0.313 | C | S | . | . | trans | -109.3 | 25.9 | -168 | -65.5 | -13.1 | 0 | 0 | 0 | 113.2 | I48 E49 S50 Y58 | N46-I48 PolarHBondContact O-N 3.42Å; N46-I48 VanDerWaalsContact O-N 3.12Å; N46-E49 HydrophobicContact CB-CB 4.29Å; N46-E49 PolarHBondContact O-N 2.97Å; N46-E49 VanDerWaalsContact O-N 3.13Å; N46-S50 WeakPolarHBondContact O-CA 3.45Å; N46-S50 WeakPolarHBondContact O-CB 3.49Å; N46-S50 PolarHBondContact O-N 3.23Å; N46-S50 PolarHBondContact O-OG 3.01Å; N46-Y58 HydrophobicContact CB-CD1 3.99Å; N46-Y58 HydrophobicContact CB-CE1 4.02Å; N46-Y58 HydrophobicContact CB-CG 4.26Å; N46-Y58 WeakPolarHBondContact ND2-CD1 3.48Å; N46-Y58 WeakPolarHBondContact ND2-CE1 3.5Å | ||
| 47 | R | 56.9 | Low | 74.4 | Confident | 164 Ų | 164 | 65 Ų | 65 | 62% | 0.619 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -52 | -43.3 | -178.2 | -158.3 | 174.7 | 171.1 | -178.5 | -7.3 | 112.3 | S50 E51 D153 | R47-S50 PolarHBondContact O-OG 3.29Å; R47-E51 PolarHBondContact O-N 2.96Å; R47-D153 IonicContact CZ-OD2 2.69Å; R47-D153 IonicContact NE-OD2 2.56Å; R47-D153 IonicContact NH2-OD2 3.6Å; R47-D153 PolarHBondContact NH2-OD2 3.47Å |
| 48 | I | 56.2 | Low | 73.7 | Confident | 80 Ų | 80 | 63 Ų | 63 | 41% | 0.41 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.2 | -55.2 | 175.4 | -69.9 | 175.5 | 0 | 0 | 0 | 111.9 | N46 E51 A157 | N46-I48 PolarHBondContact O-N 3.42Å; N46-I48 VanDerWaalsContact O-N 3.12Å; I48-E51 PolarHBondContact O-N 3.42Å; I48-A157 HydrophobicContact CB-CB 3.88Å; I48-A157 HydrophobicContact CG1-CB 3.93Å; I48-A157 HydrophobicContact CG2-CB 3.5Å; I48-A157 VanDerWaalsContact CG2-CB 3.5Å |
| 49 | E | 61.7 | Low | 73.4 | Confident | 49 Ų | 49 | 69.2 Ų | 69.2 | 23% | 0.229 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71.7 | -31.6 | -176.8 | -66.2 | -177.7 | -173 | 0 | 0 | 113.2 | N46 E51 I52 I53 Y58 H238 | N46-E49 HydrophobicContact CB-CB 4.29Å; N46-E49 PolarHBondContact O-N 2.97Å; N46-E49 VanDerWaalsContact O-N 3.13Å; E49-E51 VanDerWaalsContact C-N 3.3Å; E49-I52 PolarHBondContact O-N 3.38Å; E49-I53 HydrophobicContact CB-CD1 4.36Å; E49-I53 WeakPolarHBondContact O-CB 3.45Å; E49-I53 PolarHBondContact O-N 2.98Å; E49-Y58 HydrophobicContact CB-CE2 4.31Å; E49-Y58 PolarHBondContact OE2-OH 2.99Å; E49-H238 IonicContact OE1-CE1 2.84Å; E49-H238 IonicContact OE1-NE2 2.73Å; E49-H238 PolarHBondContact OE1-NE2 3.37Å; E49-H238 IonicContact OE2-NE2 3.67Å |
| 50 | S | 64.2 | Low | 73.1 | Confident | 10 Ų | 10 | 71.7 Ų | 71.7 | 7% | 0.07 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.8 | -27.9 | -179.1 | 79.8 | 0 | 0 | 0 | 0 | 111.7 | N46 R47 I52 G54 R55 | N46-S50 WeakPolarHBondContact O-CA 3.45Å; N46-S50 WeakPolarHBondContact O-CB 3.49Å; N46-S50 PolarHBondContact O-N 3.23Å; N46-S50 PolarHBondContact O-OG 3.01Å; R47-S50 PolarHBondContact O-OG 3.29Å; S50-I52 VanDerWaalsContact C-N 3.27Å; S50-G54 CarbonylContact O-C 3.3Å; S50-G54 WeakPolarHBondContact O-CA 3.47Å; S50-G54 PolarHBondContact O-N 3.33Å; S50-R55 PolarHBondContact O-N 3.49Å |
| 51 | E | 64 | Low | 72.8 | Confident | 59 Ų | 59 | 68 Ų | 68 | 28% | 0.276 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.2 | -30.9 | 172.7 | -126.9 | 67.4 | -174.6 | 0 | 0 | 111 | R47 I48 E49 R55 | R47-E51 PolarHBondContact O-N 2.96Å; I48-E51 PolarHBondContact O-N 3.42Å; E49-E51 VanDerWaalsContact C-N 3.3Å; E51-R55 IonicContact OE1-CZ 3.57Å; E51-R55 IonicContact OE1-NH2 3.75Å; E51-R55 PolarHBondContact OE1-NH2 3.29Å; E51-R55 IonicContact OE2-CZ 3.4Å; E51-R55 IonicContact OE2-NE 3.84Å; E51-R55 IonicContact OE2-NH2 2.7Å; E51-R55 PolarHBondContact OE2-NH2 3.18Å |
| 52 | I | 63.2 | Low | 72.8 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 6% | 0.062 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -88 | -49.1 | -178.6 | -58.8 | 168.4 | 0 | 0 | 0 | 111.7 | E49 S50 T140 F154 W158 L161 L235 | E49-I52 PolarHBondContact O-N 3.38Å; S50-I52 VanDerWaalsContact C-N 3.27Å; I52-T140 HydrophobicContact CG2-CG2 4.1Å; I52-F154 HydrophobicContact CG1-CE2 4.22Å; I52-W158 HydrophobicContact CD1-CE3 3.76Å; I52-W158 HydrophobicContact CD1-CZ3 4.13Å; I52-W158 HydrophobicContact CG1-CE3 4.21Å; I52-W158 HydrophobicContact CG2-CZ3 4.15Å; I52-L161 HydrophobicContact CD1-CD2 4.4Å; I52-L235 HydrophobicContact CG2-CD1 4.18Å; I52-L235 HydrophobicContact CG2-CD2 3.99Å |
| 53 | I | 65.3 | Low | 73.2 | Confident | 9 Ų | 9 | 64.5 Ų | 64.5 | 5% | 0.046 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -86.4 | -17.6 | -173.8 | -67.4 | 160.1 | 0 | 0 | 0 | 111.8 | E49 Y57 Y58 L132 I136 I239 | E49-I53 HydrophobicContact CB-CD1 4.36Å; E49-I53 WeakPolarHBondContact O-CB 3.45Å; E49-I53 PolarHBondContact O-N 2.98Å; I53-Y57 HydrophobicContact CG2-CD1 4.17Å; I53-Y58 HydrophobicContact CB-CE2 3.89Å; I53-Y58 HydrophobicContact CD1-CE2 4.15Å; I53-Y58 VanDerWaalsContact CD1-OH 3.24Å; I53-Y58 WeakPolarHBondContact CD1-OH 3.29Å; I53-Y58 HydrophobicContact CG2-CE2 3.9Å; I53-L132 HydrophobicContact CG2-CD2 4.46Å; I53-I136 HydrophobicContact CB-CD1 4.46Å; I53-I136 HydrophobicContact CG1-CD1 4.12Å; I53-I136 HydrophobicContact CG2-CD1 4.23Å; I53-I239 HydrophobicContact CD1-CD1 4.07Å; I53-I239 HydrophobicContact CD1-CG1 3.6Å; I53-I239 HydrophobicContact CG1-CD1 3.95Å; I53-I239 HydrophobicContact CG1-CG1 4.03Å |
| 54 | G | 66.3 | Low | 73.4 | Confident | 20 Ų | 20 | 61.9 Ų | 61.9 | 21% | 0.206 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 107.9 | 114 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S50 R56 Y57 | S50-G54 CarbonylContact O-C 3.3Å; S50-G54 WeakPolarHBondContact O-CA 3.47Å; S50-G54 PolarHBondContact O-N 3.33Å; G54-R56 PolarHBondContact O-N 3.44Å; G54-Y57 PolarHBondContact O-N 2.89Å |
| 55 | R | 69.8 | Low | 73.9 | Confident | 141 Ų | 141 | 55.1 Ų | 55.1 | 53% | 0.532 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -53.1 | -31.7 | -177.4 | -169 | 179.2 | -66.8 | -176.4 | 0.9 | 113.7 | S50 E51 Y57 Y59 | S50-R55 PolarHBondContact O-N 3.49Å; E51-R55 IonicContact OE1-CZ 3.57Å; E51-R55 IonicContact OE1-NH2 3.75Å; E51-R55 PolarHBondContact OE1-NH2 3.29Å; E51-R55 IonicContact OE2-CZ 3.4Å; E51-R55 IonicContact OE2-NE 3.84Å; E51-R55 IonicContact OE2-NH2 2.7Å; E51-R55 PolarHBondContact OE2-NH2 3.18Å; R55-Y57 VanDerWaalsContact C-N 3.33Å; R55-Y57 PolarHBondContact O-N 3.32Å; R55-Y59 WeakPolarHBondContact O-CB 3.4Å; R55-Y59 PolarHBondContact O-N 3Å; R55-Y59 VanDerWaalsContact O-N 3.14Å |
| 56 | R | 75.7 | Confident | 75.2 | Confident | 190 Ų | 190 | 51.7 Ų | 51.7 | 72% | 0.717 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62.2 | -38.2 | 179.2 | -171.7 | 172.8 | 179.2 | 176.2 | 0.3 | 112.7 | G54 E60 | G54-R56 PolarHBondContact O-N 3.44Å; R56-E60 HydrophobicContact CG-CG 4.33Å; R56-E60 WeakPolarHBondContact CG-OE1 3.42Å; R56-E60 IonicContact CZ-OE1 3.26Å; R56-E60 IonicContact NE-OE1 3.63Å; R56-E60 PolarHBondContact NE-OE1 3.46Å; R56-E60 IonicContact NH2-OE1 3.79Å; R56-E60 PolarHBondContact NH2-OE1 3.13Å; R56-E60 WeakPolarHBondContact O-CB 3.43Å; R56-E60 WeakPolarHBondContact O-CG 3.49Å; R56-E60 PolarHBondContact O-N 2.95Å |
| 57 | Y | 77.2 | Confident | 76.9 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 8% | 0.075 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.3 | -54.4 | -178.9 | 170.6 | -110.7 | 0 | 0 | 0 | 111.7 | I53 G54 R55 Y59 E60 E61 I128 L243 | I53-Y57 HydrophobicContact CG2-CD1 4.17Å; G54-Y57 PolarHBondContact O-N 2.89Å; R55-Y57 VanDerWaalsContact C-N 3.33Å; R55-Y57 PolarHBondContact O-N 3.32Å; Y57-Y59 VanDerWaalsContact C-N 3.26Å; Y57-Y59 PolarHBondContact O-N 2.83Å; Y57-E60 PolarHBondContact O-N 2.96Å; Y57-E61 HydrophobicContact CD2-CG 3.89Å; Y57-E61 HydrophobicContact CE2-CG 3.4Å; Y57-E61 PolarHBondContact O-N 2.83Å; Y57-I128 HydrophobicContact CD2-CD1 3.44Å; Y57-I128 VanDerWaalsContact CD2-CD1 3.44Å; Y57-I128 HydrophobicContact CD2-CG2 4.21Å; Y57-I128 HydrophobicContact CE2-CD1 3.57Å; Y57-I128 HydrophobicContact CE2-CG2 4.01Å; Y57-L243 WeakPolarHBondContact OH-CD2 3.49Å |
| 58 | Y | 78.9 | Confident | 78.7 | Confident | 6 Ų | 6 | 47 Ų | 47 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.9 | -37.5 | -179.7 | -75.9 | -78.2 | 0 | 0 | 0 | 112.2 | L42 N46 E49 I53 G62 | L42-Y58 HydrophobicContact CD2-CD1 3.65Å; L42-Y58 HydrophobicContact CD2-CE1 3.94Å; N46-Y58 HydrophobicContact CB-CD1 3.99Å; N46-Y58 HydrophobicContact CB-CE1 4.02Å; N46-Y58 HydrophobicContact CB-CG 4.26Å; N46-Y58 WeakPolarHBondContact ND2-CD1 3.48Å; N46-Y58 WeakPolarHBondContact ND2-CE1 3.5Å; E49-Y58 HydrophobicContact CB-CE2 4.31Å; E49-Y58 PolarHBondContact OE2-OH 2.99Å; I53-Y58 HydrophobicContact CB-CE2 3.89Å; I53-Y58 HydrophobicContact CD1-CE2 4.15Å; I53-Y58 VanDerWaalsContact CD1-OH 3.24Å; I53-Y58 WeakPolarHBondContact CD1-OH 3.29Å; I53-Y58 HydrophobicContact CG2-CE2 3.9Å; Y58-G62 WeakPolarHBondContact O-CA 3.46Å; Y58-G62 PolarHBondContact O-N 3.45Å |
| 59 | Y | 83.8 | Confident | 80.6 | Confident | 153 Ų | 153 | 43.2 Ų | 43.2 | 60% | 0.6 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -66 | -51.2 | 176.6 | -175.4 | -95.9 | 0 | 0 | 0 | 112.3 | L43 R55 Y57 G62 V63 | L43-Y59 HydrophobicContact CD2-CD2 3.77Å; L43-Y59 HydrophobicContact CD2-CE2 4.19Å; L43-Y59 HydrophobicContact CD2-CG 4.48Å; R55-Y59 WeakPolarHBondContact O-CB 3.4Å; R55-Y59 PolarHBondContact O-N 3Å; R55-Y59 VanDerWaalsContact O-N 3.14Å; Y57-Y59 VanDerWaalsContact C-N 3.26Å; Y57-Y59 PolarHBondContact O-N 2.83Å; Y59-G62 PolarHBondContact O-N 2.87Å; Y59-V63 HydrophobicContact CD1-CG2 4.28Å; Y59-V63 HydrophobicContact CE1-CG2 3.94Å; Y59-V63 HydrophobicContact CE2-CG2 4.22Å; Y59-V63 WeakPolarHBondContact O-CB 3.42Å; Y59-V63 WeakPolarHBondContact O-CG2 3.35Å; Y59-V63 PolarHBondContact O-N 3.5Å |
| 60 | E | 85.7 | Confident | 82.3 | Confident | 51 Ų | 51 | 44.9 Ų | 44.9 | 24% | 0.238 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64 | -44 | -178.2 | -72.6 | -179 | -175.2 | 0 | 0 | 111.8 | R56 Y57 L64 H124 | R56-E60 HydrophobicContact CG-CG 4.33Å; R56-E60 WeakPolarHBondContact CG-OE1 3.42Å; R56-E60 IonicContact CZ-OE1 3.26Å; R56-E60 IonicContact NE-OE1 3.63Å; R56-E60 PolarHBondContact NE-OE1 3.46Å; R56-E60 IonicContact NH2-OE1 3.79Å; R56-E60 PolarHBondContact NH2-OE1 3.13Å; R56-E60 WeakPolarHBondContact O-CB 3.43Å; R56-E60 WeakPolarHBondContact O-CG 3.49Å; R56-E60 PolarHBondContact O-N 2.95Å; Y57-E60 PolarHBondContact O-N 2.96Å; E60-L64 WeakPolarHBondContact O-CG 3.31Å; E60-L64 PolarHBondContact O-N 3.22Å; E60-L64 VanDerWaalsContact O-N 3.12Å; E60-H124 IonicContact OE2-CE1 2.79Å; E60-H124 PolarHBondContact OE2-CE1 3.34Å; E60-H124 IonicContact OE2-NE2 3.45Å; E60-H124 PolarHBondContact OE2-NE2 2.89Å |
| 61 | E | 85.4 | Confident | 83.9 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.4 | -43.4 | 175.7 | -72.8 | -58.7 | 137 | 0 | 0 | 112.3 | L42 Y57 V63 L64 F65 C121 H124 | L42-E61 HydrophobicContact CD1-CB 4.39Å; Y57-E61 HydrophobicContact CD2-CG 3.89Å; Y57-E61 HydrophobicContact CE2-CG 3.4Å; Y57-E61 PolarHBondContact O-N 2.83Å; E61-V63 VanDerWaalsContact C-N 3.32Å; E61-V63 PolarHBondContact O-N 2.88Å; E61-L64 PolarHBondContact O-N 3.29Å; E61-F65 VanDerWaalsContact O-CD2 3.26Å; E61-F65 WeakPolarHBondContact O-CD2 3.43Å; E61-F65 PolarHBondContact O-N 3.45Å; E61-C121 PolarHBondContact OE2-SG 2.83Å; E61-C121 VanDerWaalsContact OE2-SG 3.35Å; E61-H124 IonicContact OE1-CE1 2.75Å; E61-H124 IonicContact OE1-CG 3.24Å; E61-H124 IonicContact OE1-ND1 3.45Å; E61-H124 PolarHBondContact OE1-ND1 3.07Å |
| 62 | G | 89.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.2 | -44.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y58 Y59 F65 V66 | Y58-G62 WeakPolarHBondContact O-CA 3.46Å; Y58-G62 PolarHBondContact O-N 3.45Å; Y59-G62 PolarHBondContact O-N 2.87Å; G62-F65 PolarHBondContact O-N 3.18Å; G62-V66 WeakPolarHBondContact O-CG2 3.43Å; G62-V66 PolarHBondContact O-N 2.92Å |
| 63 | V | 92.4 | Very high | 87 | Confident | 49 Ų | 49 | 46.4 Ų | 46.4 | 30% | 0.297 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | L43 Y59 E61 F65 V66 I67 | L43-V63 HydrophobicContact CD2-CG2 4.22Å; Y59-V63 HydrophobicContact CD1-CG2 4.28Å; Y59-V63 HydrophobicContact CE1-CG2 3.94Å; Y59-V63 HydrophobicContact CE2-CG2 4.22Å; Y59-V63 WeakPolarHBondContact O-CB 3.42Å; Y59-V63 WeakPolarHBondContact O-CG2 3.35Å; Y59-V63 PolarHBondContact O-N 3.5Å; E61-V63 VanDerWaalsContact C-N 3.32Å; E61-V63 PolarHBondContact O-N 2.88Å; V63-F65 VanDerWaalsContact C-N 3.35Å; V63-F65 PolarHBondContact O-N 2.9Å; V63-V66 PolarHBondContact O-N 3.16Å; V63-I67 HydrophobicContact CG1-CD1 3.75Å; V63-I67 HydrophobicContact CG1-CG1 4.38Å; V63-I67 VanDerWaalsContact O-CG1 3.31Å; V63-I67 WeakPolarHBondContact O-CG1 3.49Å; V63-I67 PolarHBondContact O-N 3.48Å |
| 64 | L | 92.8 | Very high | 88.4 | Confident | 21 Ų | 21 | 49.3 Ų | 49.3 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.7 | -43.7 | 177.6 | -75.8 | 165.4 | 0 | 0 | 0 | 112.2 | E60 E61 V66 I67 I68 P117 Y120 C121 | E60-L64 WeakPolarHBondContact O-CG 3.31Å; E60-L64 PolarHBondContact O-N 3.22Å; E60-L64 VanDerWaalsContact O-N 3.12Å; E61-L64 PolarHBondContact O-N 3.29Å; L64-V66 VanDerWaalsContact C-N 3.34Å; L64-V66 PolarHBondContact O-N 3.34Å; L64-I67 PolarHBondContact O-N 3.03Å; L64-I68 WeakPolarHBondContact O-CB 3.42Å; L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.36Å; L64-I68 PolarHBondContact O-N 3.32Å; L64-P117 HydrophobicContact CD2-CB 4.38Å; L64-Y120 HydrophobicContact CD1-CD1 3.6Å; L64-Y120 HydrophobicContact CD1-CE1 3.75Å; L64-Y120 HydrophobicContact CD2-CD1 3.69Å; L64-Y120 HydrophobicContact CD2-CE1 4.25Å; L64-Y120 HydrophobicContact CG-CD1 4.27Å; L64-C121 HydrophobicContact CD1-CB 4.43Å |
| 65 | F | 94 | Very high | 89.8 | Confident | 14 Ų | 14 | 48.4 Ų | 48.4 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 177.9 | -89.4 | -125.8 | 0 | 0 | 0 | 110.9 | F35 L42 E61 G62 V63 I67 I68 G69 P250 | F35-F65 WeakPolarHBondContact CB-O 3.45Å; F35-F65 HydrophobicContact CD1-CB 4.25Å; F35-F65 AromaticContact CD1-CD1 3.6Å; F35-F65 HydrophobicContact CD1-CD1 3.6Å; F35-F65 HydrophobicContact CD1-CE1 4.03Å; F35-F65 AromaticContact CD1-CG 3.9Å; F35-F65 HydrophobicContact CD1-CG 3.9Å; F35-F65 HydrophobicContact CE1-CD1 4.05Å; F35-F65 HydrophobicContact CE1-CE1 4.03Å; F35-F65 HydrophobicContact CE1-CG 4.37Å; F35-F65 HydrophobicContact CE1-CZ 4.33Å; L42-F65 HydrophobicContact CD1-CG 4.46Å; E61-F65 VanDerWaalsContact O-CD2 3.26Å; E61-F65 WeakPolarHBondContact O-CD2 3.43Å; E61-F65 PolarHBondContact O-N 3.45Å; G62-F65 PolarHBondContact O-N 3.18Å; V63-F65 VanDerWaalsContact C-N 3.35Å; V63-F65 PolarHBondContact O-N 2.9Å; F65-I67 PolarHBondContact O-N 3.48Å; F65-I68 PolarHBondContact O-N 3.37Å; F65-G69 PolarHBondContact O-N 3.32Å; F65-P250 HydrophobicContact CE2-CG 4.46Å; F65-P250 HydrophobicContact CZ-CG 4.19Å |
| 66 | V | 95.5 | Very high | 91 | Very high | 32 Ų | 32 | 43.2 Ų | 43.2 | 19% | 0.194 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 175.8 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | I40 L43 G62 V63 L64 I68 G69 I70 | I40-V66 HydrophobicContact CG1-CG2 4.49Å; L43-V66 HydrophobicContact CD1-CG2 4.29Å; G62-V66 WeakPolarHBondContact O-CG2 3.43Å; G62-V66 PolarHBondContact O-N 2.92Å; V63-V66 PolarHBondContact O-N 3.16Å; L64-V66 VanDerWaalsContact C-N 3.34Å; L64-V66 PolarHBondContact O-N 3.34Å; V66-I68 PolarHBondContact O-N 3.4Å; V66-G69 PolarHBondContact O-N 3.2Å; V66-I70 HydrophobicContact CG1-CD1 3.75Å; V66-I70 HydrophobicContact CG1-CG1 4.37Å; V66-I70 WeakPolarHBondContact O-CG1 3.38Å; V66-I70 PolarHBondContact O-N 3.19Å |
| 67 | I | 95.9 | Very high | 91.9 | Very high | 72 Ų | 72 | 38.5 Ų | 38.5 | 37% | 0.369 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 178.3 | -69.8 | 168.5 | 0 | 0 | 0 | 110.9 | V63 L64 F65 G69 I70 L71 | V63-I67 HydrophobicContact CG1-CD1 3.75Å; V63-I67 HydrophobicContact CG1-CG1 4.38Å; V63-I67 VanDerWaalsContact O-CG1 3.31Å; V63-I67 WeakPolarHBondContact O-CG1 3.49Å; V63-I67 PolarHBondContact O-N 3.48Å; L64-I67 PolarHBondContact O-N 3.03Å; F65-I67 PolarHBondContact O-N 3.48Å; I67-G69 VanDerWaalsContact C-N 3.32Å; I67-G69 PolarHBondContact O-N 2.82Å; I67-I70 PolarHBondContact O-N 3.2Å; I67-L71 HydrophobicContact CG2-CD1 3.96Å; I67-L71 HydrophobicContact CG2-CG 4.49Å; I67-L71 WeakPolarHBondContact O-CG 3.44Å; I67-L71 PolarHBondContact O-N 3.37Å |
| 68 | I | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.8 | -47.8 | 176.4 | -72.3 | 168.3 | 0 | 0 | 0 | 110.1 | F35 L64 F65 V66 I70 L71 L72 P117 H118 C121 | F35-I68 HydrophobicContact CD1-CB 4.29Å; F35-I68 HydrophobicContact CD1-CG2 3.91Å; F35-I68 HydrophobicContact CD2-CG2 3.84Å; F35-I68 HydrophobicContact CE1-CD1 4.44Å; F35-I68 HydrophobicContact CE1-CG2 4Å; F35-I68 HydrophobicContact CE2-CG2 3.94Å; F35-I68 HydrophobicContact CG-CB 4.46Å; F35-I68 HydrophobicContact CG-CG2 3.84Å; F35-I68 HydrophobicContact CZ-CG2 4.02Å; L64-I68 WeakPolarHBondContact O-CB 3.42Å; L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.36Å; L64-I68 PolarHBondContact O-N 3.32Å; F65-I68 PolarHBondContact O-N 3.37Å; V66-I68 PolarHBondContact O-N 3.4Å; I68-I70 PolarHBondContact O-N 3.2Å; I68-L71 PolarHBondContact O-N 2.89Å; I68-L72 HydrophobicContact CG2-CD1 3.89Å; I68-L72 HydrophobicContact CG2-CG 4.36Å; I68-L72 WeakPolarHBondContact O-CB 3.3Å; I68-L72 WeakPolarHBondContact O-CG 3.5Å; I68-L72 PolarHBondContact O-N 3.45Å; I68-P117 HydrophobicContact CD1-CB 4.34Å; I68-P117 HydrophobicContact CG1-CB 3.84Å; I68-P117 HydrophobicContact CG1-CG 3.95Å; I68-H118 WeakPolarHBondContact CG2-CE1 3.18Å; I68-C121 HydrophobicContact CD1-CB 4.49Å |
| 69 | G | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.4 | -42 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S32 F65 V66 I67 L72 L73 | S32-G69 PolarHBondContact OG-O 3.48Å; F65-G69 PolarHBondContact O-N 3.32Å; V66-G69 PolarHBondContact O-N 3.2Å; I67-G69 VanDerWaalsContact C-N 3.32Å; I67-G69 PolarHBondContact O-N 2.82Å; G69-L72 PolarHBondContact O-N 3.03Å; G69-L73 PolarHBondContact O-N 3.48Å |
| 70 | I | 97 | Very high | 93.5 | Very high | 83 Ų | 83 | 33.2 Ų | 33.2 | 43% | 0.426 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.8 | -45 | 176.4 | -68.2 | 168.3 | 0 | 0 | 0 | 111.1 | V66 I67 I68 L72 L73 L74 | V66-I70 HydrophobicContact CG1-CD1 3.75Å; V66-I70 HydrophobicContact CG1-CG1 4.37Å; V66-I70 WeakPolarHBondContact O-CG1 3.38Å; V66-I70 PolarHBondContact O-N 3.19Å; I67-I70 PolarHBondContact O-N 3.2Å; I68-I70 PolarHBondContact O-N 3.2Å; I70-L72 VanDerWaalsContact C-N 3.32Å; I70-L72 PolarHBondContact O-N 3.27Å; I70-L73 VanDerWaalsContact O-CB 3.31Å; I70-L73 WeakPolarHBondContact O-CB 3.3Å; I70-L73 PolarHBondContact O-N 2.89Å; I70-L73 VanDerWaalsContact O-N 3.13Å; I70-L74 HydrophobicContact CG2-CD1 4.39Å; I70-L74 WeakPolarHBondContact O-CG 3.42Å; I70-L74 PolarHBondContact O-N 3.44Å |
| 71 | L | 96.6 | Very high | 93.8 | Very high | 33 Ų | 33 | 35.9 Ų | 35.9 | 17% | 0.173 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.1 | -35.1 | 179.5 | -68.6 | 172.3 | 0 | 0 | 0 | 112.2 | I67 I68 L74 S75 V114 P117 | I67-L71 HydrophobicContact CG2-CD1 3.96Å; I67-L71 HydrophobicContact CG2-CG 4.49Å; I67-L71 WeakPolarHBondContact O-CG 3.44Å; I67-L71 PolarHBondContact O-N 3.37Å; I68-L71 PolarHBondContact O-N 2.89Å; L71-L74 PolarHBondContact O-N 3.38Å; L71-S75 WeakPolarHBondContact O-CB 3.38Å; L71-S75 PolarHBondContact O-N 3.47Å; L71-S75 PolarHBondContact O-OG 3.36Å; L71-V114 HydrophobicContact CB-CG2 3.39Å; L71-V114 HydrophobicContact CD1-CG2 4.41Å; L71-P117 HydrophobicContact CD1-CG 4.1Å |
| 72 | L | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | 170.7 | -72.7 | 174.8 | 0 | 0 | 0 | 111.8 | F28 L31 F35 I68 G69 I70 S75 L76 V114 V257 | F28-L72 HydrophobicContact CD1-CD2 3.83Å; F28-L72 HydrophobicContact CE1-CD2 3.88Å; L31-L72 HydrophobicContact CB-CD1 4Å; F35-L72 HydrophobicContact CD2-CD1 3.75Å; F35-L72 HydrophobicContact CE2-CD1 4.05Å; I68-L72 HydrophobicContact CG2-CD1 3.89Å; I68-L72 HydrophobicContact CG2-CG 4.36Å; I68-L72 WeakPolarHBondContact O-CB 3.3Å; I68-L72 WeakPolarHBondContact O-CG 3.5Å; I68-L72 PolarHBondContact O-N 3.45Å; G69-L72 PolarHBondContact O-N 3.03Å; I70-L72 VanDerWaalsContact C-N 3.32Å; I70-L72 PolarHBondContact O-N 3.27Å; L72-S75 WeakPolarHBondContact O-CB 3.36Å; L72-S75 PolarHBondContact O-N 3.29Å; L72-L76 WeakPolarHBondContact O-CB 3.35Å; L72-L76 PolarHBondContact O-N 2.89Å; L72-V114 HydrophobicContact CD2-CG1 3.94Å; L72-V114 HydrophobicContact CD2-CG2 4.32Å; L72-V114 HydrophobicContact CG-CG1 4.33Å; L72-V257 HydrophobicContact CD2-CG2 3.92Å |
| 73 | L | 96.3 | Very high | 93.7 | Very high | 81 Ų | 81 | 37.5 Ų | 37.5 | 42% | 0.424 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 174.8 | -161.1 | 93.9 | 0 | 0 | 0 | 111.5 | S32 G69 I70 S75 L76 V77 | S32-L73 WeakPolarHBondContact OG-CB 3.01Å; S32-L73 WeakPolarHBondContact OG-CD1 3.37Å; G69-L73 PolarHBondContact O-N 3.48Å; I70-L73 VanDerWaalsContact O-CB 3.31Å; I70-L73 WeakPolarHBondContact O-CB 3.3Å; I70-L73 PolarHBondContact O-N 2.89Å; I70-L73 VanDerWaalsContact O-N 3.13Å; L73-S75 VanDerWaalsContact C-N 3.31Å; L73-S75 PolarHBondContact O-N 2.95Å; L73-L76 WeakPolarHBondContact O-CB 3.38Å; L73-L76 PolarHBondContact O-N 2.94Å; L73-V77 WeakPolarHBondContact O-CG2 3.47Å; L73-V77 PolarHBondContact O-N 3.48Å |
| 74 | L | 95.7 | Very high | 93.5 | Very high | 70 Ų | 70 | 39.8 Ų | 39.8 | 37% | 0.366 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.6 | -39.2 | 176.2 | -68.6 | 174.6 | 0 | 0 | 0 | 111.7 | I70 L71 L76 V77 C78 F110 | I70-L74 HydrophobicContact CG2-CD1 4.39Å; I70-L74 WeakPolarHBondContact O-CG 3.42Å; I70-L74 PolarHBondContact O-N 3.44Å; L71-L74 PolarHBondContact O-N 3.38Å; L74-L76 VanDerWaalsContact C-N 3.34Å; L74-V77 PolarHBondContact O-N 2.89Å; L74-C78 PolarHBondContact O-N 2.93Å; L74-C78 PolarHBondContact O-SG 2.74Å; L74-F110 HydrophobicContact CB-CD1 4.27Å; L74-F110 HydrophobicContact CB-CE1 4.17Å; L74-F110 HydrophobicContact CB-CE2 4.43Å; L74-F110 HydrophobicContact CB-CG 4.47Å; L74-F110 HydrophobicContact CB-CZ 4.25Å; L74-F110 HydrophobicContact CD1-CD1 4.46Å; L74-F110 HydrophobicContact CD1-CE1 3.87Å; L74-F110 HydrophobicContact CD1-CZ 4.28Å |
| 75 | S | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 173.8 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | L71 L72 L73 C78 Q79 F110 | L71-S75 WeakPolarHBondContact O-CB 3.38Å; L71-S75 PolarHBondContact O-N 3.47Å; L71-S75 PolarHBondContact O-OG 3.36Å; L72-S75 WeakPolarHBondContact O-CB 3.36Å; L72-S75 PolarHBondContact O-N 3.29Å; L73-S75 VanDerWaalsContact C-N 3.31Å; L73-S75 PolarHBondContact O-N 2.95Å; S75-C78 PolarHBondContact O-N 3.23Å; S75-Q79 WeakPolarHBondContact O-CB 3.31Å; S75-Q79 PolarHBondContact O-N 3.43Å; S75-F110 WeakPolarHBondContact OG-CB 3.45Å |
| 76 | L | 95.1 | Very high | 92.5 | Very high | 33 Ų | 33 | 41.1 Ų | 41.1 | 17% | 0.173 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.7 | -46.1 | 174.6 | 172.4 | 64.2 | 0 | 0 | 0 | 112 | A25 F28 A29 L72 L73 L74 C78 Q79 A80 | A25-L76 HydrophobicContact CB-CD1 3.74Å; A25-L76 VanDerWaalsContact O-CD1 3.23Å; A25-L76 WeakPolarHBondContact O-CD1 3.34Å; F28-L76 HydrophobicContact CB-CB 4.17Å; F28-L76 HydrophobicContact CB-CD1 4.44Å; A29-L76 HydrophobicContact CB-CD2 3.82Å; L72-L76 WeakPolarHBondContact O-CB 3.35Å; L72-L76 PolarHBondContact O-N 2.89Å; L73-L76 WeakPolarHBondContact O-CB 3.38Å; L73-L76 PolarHBondContact O-N 2.94Å; L74-L76 VanDerWaalsContact C-N 3.34Å; L76-C78 VanDerWaalsContact C-N 3.32Å; L76-C78 PolarHBondContact O-N 2.9Å; L76-Q79 PolarHBondContact O-N 3.44Å; L76-A80 WeakPolarHBondContact O-CB 3.31Å; L76-A80 PolarHBondContact O-N 2.73Å |
| 77 | V | 94.5 | Very high | 91.8 | Very high | 91 Ų | 91 | 42.4 Ų | 42.4 | 55% | 0.552 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -60 | -44.8 | 177.5 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | L73 L74 Q79 A80 F81 | L73-V77 WeakPolarHBondContact O-CG2 3.47Å; L73-V77 PolarHBondContact O-N 3.48Å; L74-V77 PolarHBondContact O-N 2.89Å; V77-Q79 VanDerWaalsContact C-N 3.34Å; V77-Q79 PolarHBondContact O-N 3.46Å; V77-A80 PolarHBondContact O-N 2.99Å; V77-F81 WeakPolarHBondContact O-CB 3.49Å; V77-F81 PolarHBondContact O-N 2.74Å |
| 78 | C | 92.3 | Very high | 91.2 | Very high | 14 Ų | 14 | 43 Ų | 43 | 10% | 0.095 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.3 | -43.6 | 175.7 | -67 | 0 | 0 | 0 | 0 | 111.5 | L74 S75 L76 F81 M82 Y107 F110 | L74-C78 PolarHBondContact O-N 2.93Å; L74-C78 PolarHBondContact O-SG 2.74Å; S75-C78 PolarHBondContact O-N 3.23Å; L76-C78 VanDerWaalsContact C-N 3.32Å; L76-C78 PolarHBondContact O-N 2.9Å; C78-F81 PolarHBondContact O-N 2.98Å; C78-M82 WeakPolarHBondContact O-CG 3.33Å; C78-M82 PolarHBondContact O-N 2.97Å; C78-Y107 HydrophobicContact CB-CD2 4.2Å; C78-F110 VanDerWaalsContact SG-CD2 3.58Å; C78-F110 VanDerWaalsContact SG-CE2 3.57Å |
| 79 | Q | 90.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 178.9 | -168.4 | 175.2 | 18.7 | 0 | 0 | 112.5 | S21 S75 L76 V77 F81 M82 I83 Y107 | S21-Q79 PolarHBondContact O-NE2 3.47Å; S21-Q79 PolarHBondContact OG-NE2 3.03Å; S21-Q79 VanDerWaalsContact OG-NE2 3.16Å; S75-Q79 WeakPolarHBondContact O-CB 3.31Å; S75-Q79 PolarHBondContact O-N 3.43Å; L76-Q79 PolarHBondContact O-N 3.44Å; V77-Q79 VanDerWaalsContact C-N 3.34Å; V77-Q79 PolarHBondContact O-N 3.46Å; Q79-F81 VanDerWaalsContact C-N 3.33Å; Q79-F81 PolarHBondContact O-N 3.01Å; Q79-M82 HydrophobicContact CB-CE 4.37Å; Q79-M82 HydrophobicContact CG-CE 4.45Å; Q79-M82 WeakPolarHBondContact O-CB 3.4Å; Q79-M82 PolarHBondContact O-N 3.02Å; Q79-I83 HydrophobicContact CG-CD1 4.26Å; Q79-I83 VanDerWaalsContact O-CG1 3.3Å; Q79-I83 WeakPolarHBondContact O-CG1 3.23Å; Q79-I83 PolarHBondContact O-N 3.2Å; Q79-Y107 HydrophobicContact CB-CD2 4.36Å; Q79-Y107 HydrophobicContact CB-CE2 3.99Å; Q79-Y107 HydrophobicContact CG-CE2 4.46Å |
| 80 | A | 91.4 | Very high | 89.2 | Confident | 51 Ų | 51 | 54.9 Ų | 54.9 | 42% | 0.421 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L76 V77 I83 H84 | L76-A80 WeakPolarHBondContact O-CB 3.31Å; L76-A80 PolarHBondContact O-N 2.73Å; V77-A80 PolarHBondContact O-N 2.99Å; A80-I83 PolarHBondContact O-N 2.86Å; A80-H84 WeakPolarHBondContact O-CB 3.21Å; A80-H84 PolarHBondContact O-N 3.48Å |
| 81 | F | 90.8 | Very high | 87.9 | Confident | 107 Ų | 107 | 57.3 Ų | 57.3 | 47% | 0.469 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 175.3 | -176.2 | -110 | 0 | 0 | 0 | 112 | V77 C78 Q79 H84 L85 A103 | V77-F81 WeakPolarHBondContact O-CB 3.49Å; V77-F81 PolarHBondContact O-N 2.74Å; C78-F81 PolarHBondContact O-N 2.98Å; Q79-F81 VanDerWaalsContact C-N 3.33Å; Q79-F81 PolarHBondContact O-N 3.01Å; F81-H84 PolarHBondContact O-N 3.5Å; F81-L85 HydrophobicContact CD1-CD1 3.9Å; F81-L85 HydrophobicContact CD1-CG 4.44Å; F81-L85 HydrophobicContact CE1-CD1 3.36Å; F81-L85 HydrophobicContact CE1-CG 4.11Å; F81-L85 HydrophobicContact CE2-CD1 4.42Å; F81-L85 HydrophobicContact CE2-CD2 4.47Å; F81-L85 HydrophobicContact CE2-CG 4.35Å; F81-L85 HydrophobicContact CZ-CD1 3.67Å; F81-L85 HydrophobicContact CZ-CD2 4.23Å; F81-L85 HydrophobicContact CZ-CG 4.06Å; F81-L85 WeakPolarHBondContact O-CG 3.46Å; F81-L85 PolarHBondContact O-N 3.06Å; F81-A103 HydrophobicContact CD1-CB 4.03Å; F81-A103 HydrophobicContact CE1-CB 4.29Å |
| 82 | M | 87 | Confident | 86.4 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.02 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 174.2 | -74.9 | -168.3 | -62.8 | 0 | 0 | 112.5 | C78 Q79 H84 L85 L86 A103 V104 Y107 | C78-M82 WeakPolarHBondContact O-CG 3.33Å; C78-M82 PolarHBondContact O-N 2.97Å; Q79-M82 HydrophobicContact CB-CE 4.37Å; Q79-M82 HydrophobicContact CG-CE 4.45Å; Q79-M82 WeakPolarHBondContact O-CB 3.4Å; Q79-M82 PolarHBondContact O-N 3.02Å; M82-H84 VanDerWaalsContact C-N 3.3Å; M82-H84 PolarHBondContact O-N 3.27Å; M82-L85 PolarHBondContact O-N 3.38Å; M82-L86 WeakPolarHBondContact O-CB 3.36Å; M82-L86 WeakPolarHBondContact O-CG 3.25Å; M82-L86 PolarHBondContact O-N 3.49Å; M82-A103 HydrophobicContact CG-CB 3.54Å; M82-A103 HydrophobicContact SD-CB 4.39Å; M82-V104 WeakPolarHBondContact SD-CA 3.32Å; M82-V104 HydrophobicContact SD-CB 3.97Å; M82-V104 HydrophobicContact SD-CG2 3.38Å; M82-V104 WeakPolarHBondContact SD-CG2 3.46Å; M82-Y107 HydrophobicContact CE-CD1 3.56Å; M82-Y107 HydrophobicContact CE-CD2 3.88Å; M82-Y107 HydrophobicContact CE-CE1 4.1Å; M82-Y107 HydrophobicContact CE-CE2 4.38Å; M82-Y107 HydrophobicContact CE-CG 3.41Å; M82-Y107 VanDerWaalsContact CE-CG 3.41Å |
| 83 | I | 86.8 | Confident | 85 | Confident | 30 Ų | 30 | 66.2 Ų | 66.2 | 15% | 0.154 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 177.6 | -68 | 167.8 | 0 | 0 | 0 | 110 | S21 Q79 A80 L86 F87 | S21-I83 WeakPolarHBondContact OG-CD1 3.49Å; S21-I83 WeakPolarHBondContact OG-CG1 3.33Å; Q79-I83 HydrophobicContact CG-CD1 4.26Å; Q79-I83 VanDerWaalsContact O-CG1 3.3Å; Q79-I83 WeakPolarHBondContact O-CG1 3.23Å; Q79-I83 PolarHBondContact O-N 3.2Å; A80-I83 PolarHBondContact O-N 2.86Å; I83-L86 PolarHBondContact O-N 3.27Å; I83-F87 HydrophobicContact CB-CD2 4.48Å; I83-F87 HydrophobicContact CG2-CD2 4.02Å; I83-F87 WeakPolarHBondContact O-CB 3.27Å; I83-F87 WeakPolarHBondContact O-CD2 3.37Å; I83-F87 PolarHBondContact O-N 3.49Å |
| 84 | H | 87.4 | Confident | 83.6 | Confident | 97 Ų | 97 | 72.7 Ų | 72.7 | 45% | 0.449 | 36% | 0.355 | S | S | . | . | I | π-helix | trans | -62.3 | -45.2 | 178.6 | -178.2 | -86.6 | 0 | 0 | 0 | 111.9 | A80 F81 M82 V88 S89 | A80-H84 WeakPolarHBondContact O-CB 3.21Å; A80-H84 PolarHBondContact O-N 3.48Å; F81-H84 PolarHBondContact O-N 3.5Å; M82-H84 VanDerWaalsContact C-N 3.3Å; M82-H84 PolarHBondContact O-N 3.27Å; H84-V88 WeakPolarHBondContact O-CA 3.07Å; H84-V88 WeakPolarHBondContact O-CB 3.41Å; H84-V88 PolarHBondContact O-N 3.11Å; H84-S89 PolarHBondContact O-N 2.95Å |
| 85 | L | 85.4 | Confident | 82.3 | Confident | 16 Ų | 16 | 76.8 Ų | 76.8 | 8% | 0.084 | 37% | 0.371 | C | S | . | . | I | π-helix | trans | -63.9 | -43.3 | 177.8 | -72.3 | -178.3 | 0 | 0 | 0 | 112.9 | F81 M82 S89 T96 K99 V100 | F81-L85 HydrophobicContact CD1-CD1 3.9Å; F81-L85 HydrophobicContact CD1-CG 4.44Å; F81-L85 HydrophobicContact CE1-CD1 3.36Å; F81-L85 HydrophobicContact CE1-CG 4.11Å; F81-L85 HydrophobicContact CE2-CD1 4.42Å; F81-L85 HydrophobicContact CE2-CD2 4.47Å; F81-L85 HydrophobicContact CE2-CG 4.35Å; F81-L85 HydrophobicContact CZ-CD1 3.67Å; F81-L85 HydrophobicContact CZ-CD2 4.23Å; F81-L85 HydrophobicContact CZ-CG 4.06Å; F81-L85 WeakPolarHBondContact O-CG 3.46Å; F81-L85 PolarHBondContact O-N 3.06Å; M82-L85 PolarHBondContact O-N 3.38Å; L85-S89 WeakPolarHBondContact O-CB 3.23Å; L85-T96 HydrophobicContact CB-CG2 4.34Å; L85-T96 WeakPolarHBondContact O-CG2 3.44Å; L85-K99 HydrophobicContact CD1-CB 4Å; L85-V100 HydrophobicContact CB-CG2 3.77Å; L85-V100 HydrophobicContact CD1-CG2 4.08Å |
| 86 | L | 81.4 | Confident | 81.4 | Confident | 47 Ų | 47 | 77.6 Ų | 77.6 | 25% | 0.246 | 38% | 0.375 | C | S | . | . | I | π-helix | trans | -75.7 | -37.4 | -175.6 | -77.5 | 171.4 | 0 | 0 | 0 | 113.8 | M82 I83 V100 L267 V271 | M82-L86 WeakPolarHBondContact O-CB 3.36Å; M82-L86 WeakPolarHBondContact O-CG 3.25Å; M82-L86 PolarHBondContact O-N 3.49Å; I83-L86 PolarHBondContact O-N 3.27Å; L86-V100 HydrophobicContact CD1-CG1 4.4Å; L86-V100 HydrophobicContact CD2-CG1 3.88Å; L86-V100 HydrophobicContact CD2-CG2 4.07Å; L86-V100 HydrophobicContact CG-CG1 4.14Å; L86-V100 HydrophobicContact CG-CG2 4.18Å; L86-L267 HydrophobicContact CD1-CD2 3.88Å; L86-V271 HydrophobicContact CD2-CG2 4.15Å |
| 87 | F | 80.3 | Confident | 80.6 | Confident | 60 Ų | 60 | 77.7 Ų | 77.7 | 26% | 0.263 | 38% | 0.375 | S | S | . | . | I | π-helix | trans | -117.7 | -18.5 | -167.1 | -59.2 | -72 | 0 | 0 | 0 | 114.8 | K18 I83 | K18-F87 HydrophobicContact CB-CD1 4.17Å; K18-F87 HydrophobicContact CB-CD2 4.29Å; K18-F87 HydrophobicContact CB-CE1 3.8Å; K18-F87 HydrophobicContact CB-CE2 3.94Å; K18-F87 HydrophobicContact CB-CG 4.4Å; K18-F87 HydrophobicContact CB-CZ 3.68Å; K18-F87 HydrophobicContact CD-CB 4.28Å; K18-F87 HydrophobicContact CD-CD1 4.09Å; K18-F87 HydrophobicContact CD-CD2 4.43Å; K18-F87 HydrophobicContact CD-CG 4.01Å; K18-F87 HydrophobicContact CG-CD1 4.28Å; K18-F87 HydrophobicContact CG-CD2 4.02Å; K18-F87 HydrophobicContact CG-CE1 4.38Å; K18-F87 HydrophobicContact CG-CE2 4.14Å; K18-F87 HydrophobicContact CG-CG 4.1Å; K18-F87 HydrophobicContact CG-CZ 4.31Å; I83-F87 HydrophobicContact CB-CD2 4.48Å; I83-F87 HydrophobicContact CG2-CD2 4.02Å; I83-F87 WeakPolarHBondContact O-CB 3.27Å; I83-F87 WeakPolarHBondContact O-CD2 3.37Å; I83-F87 PolarHBondContact O-N 3.49Å |
| 88 | V | 82.2 | Confident | 80 | Confident | 85 Ų | 85 | 77.1 Ų | 77.1 | 52% | 0.515 | 37% | 0.372 | S | S | . | . | I | π-helix | trans | -111.1 | -36.8 | -176.1 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | H84 K90 | H84-V88 WeakPolarHBondContact O-CA 3.07Å; H84-V88 WeakPolarHBondContact O-CB 3.41Å; H84-V88 PolarHBondContact O-N 3.11Å; V88-K90 PolarHBondContact O-N 3.45Å |
| 89 | S | 77.4 | Confident | 79.6 | Confident | 34 Ų | 34 | 81.9 Ų | 81.9 | 24% | 0.238 | 39% | 0.391 | C | S | . | . | trans | -68.6 | 118.8 | -177 | -154.8 | 0 | 0 | 0 | 0 | 112.1 | H84 L85 K91 | H84-S89 PolarHBondContact O-N 2.95Å; L85-S89 WeakPolarHBondContact O-CB 3.23Å; S89-K91 PolarHBondContact O-N 3.29Å | ||
| 90 | K | 74.1 | Confident | 79.3 | Confident | 214 Ų | 214 | 81.9 Ų | 81.9 | 93% | 0.93 | 39% | 0.391 | S | S | * | . | trans | -81.5 | 15.8 | 172.3 | -63.4 | -173.1 | 178.5 | -178.8 | 0 | 113.5 | V88 | V88-K90 PolarHBondContact O-N 3.45Š| ||
| 91 | K | 69.8 | Low | 79 | Confident | 134 Ų | 134 | 82.8 Ų | 82.8 | 58% | 0.583 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -76.1 | 153 | -173.7 | -73.7 | -163.9 | 179.3 | -169.5 | 0 | 112 | S89 W93 | S89-K91 PolarHBondContact O-N 3.29Å; K91-W93 PolarHBondContact O-N 2.99Å |
| 92 | P | 63.8 | Low | 78.8 | Confident | 89 Ų | 89 | 86.5 Ų | 86.5 | 58% | 0.578 | 40% | 0.396 | S | S | * | . | trans | -55.9 | 130.1 | 179.3 | 21.5 | -33.1 | 0 | 0 | 0 | 111.2 | R94 F95 T96 | P92-R94 VanDerWaalsContact C-N 3.3Å; P92-R94 PolarHBondContact O-N 3.11Å; P92-R94 VanDerWaalsContact O-N 3.14Å; P92-F95 HydrophobicContact CG-CD2 4.23Å; P92-F95 PolarHBondContact O-N 3.3Å; P92-T96 PolarHBondContact O-N 3.33Å; P92-T96 PolarHBondContact O-OG1 3.18Å | ||
| 93 | W | 67.3 | Low | 78.9 | Confident | 132 Ų | 132 | 86.7 Ų | 86.7 | 50% | 0.5 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -51.8 | -41.6 | -166.9 | -106.3 | 77.6 | 0 | 0 | 0 | 113.9 | K91 F95 T96 E97 | K91-W93 PolarHBondContact O-N 2.99Å; W93-F95 PolarHBondContact O-N 3.47Å; W93-T96 WeakPolarHBondContact O-CB 3.46Å; W93-T96 PolarHBondContact O-N 3.07Å; W93-T96 VanDerWaalsContact O-N 3.11Å; W93-E97 WeakPolarHBondContact O-CB 3.41Å; W93-E97 PolarHBondContact O-N 2.96Å |
| 94 | R | 66.6 | Low | 79.1 | Confident | 216 Ų | 216 | 85.3 Ų | 85.3 | 82% | 0.815 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -58.3 | -41.4 | -178.8 | -86.8 | -175 | 167.1 | 172.6 | -2.8 | 114.6 | P92 | P92-R94 VanDerWaalsContact C-N 3.3Å; P92-R94 PolarHBondContact O-N 3.11Å; P92-R94 VanDerWaalsContact O-N 3.14Å |
| 95 | F | 69.7 | Low | 79.3 | Confident | 157 Ų | 157 | 83.2 Ų | 83.2 | 69% | 0.689 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -75.7 | -29.9 | 177.9 | -78.8 | -77.9 | 0 | 0 | 0 | 112.2 | P92 W93 | P92-F95 HydrophobicContact CG-CD2 4.23Å; P92-F95 PolarHBondContact O-N 3.3Å; W93-F95 PolarHBondContact O-N 3.47Å |
| 96 | T | 75.3 | Confident | 79.6 | Confident | 16 Ų | 16 | 86.7 Ų | 86.7 | 10% | 0.098 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -71.4 | -37.4 | 177.9 | -50.8 | 0 | 0 | 0 | 0 | 110.5 | L85 P92 W93 K99 V100 | L85-T96 HydrophobicContact CB-CG2 4.34Å; L85-T96 WeakPolarHBondContact O-CG2 3.44Å; P92-T96 PolarHBondContact O-N 3.33Å; P92-T96 PolarHBondContact O-OG1 3.18Å; W93-T96 WeakPolarHBondContact O-CB 3.46Å; W93-T96 PolarHBondContact O-N 3.07Å; W93-T96 VanDerWaalsContact O-N 3.11Å; T96-K99 PolarHBondContact O-N 2.94Å; T96-V100 HydrophobicContact CG2-CG2 4.01Å; T96-V100 WeakPolarHBondContact O-CB 3.49Å; T96-V100 VanDerWaalsContact O-CG2 3.25Å; T96-V100 WeakPolarHBondContact O-CG2 3.23Å; T96-V100 PolarHBondContact O-N 3.04Å |
| 97 | E | 77.4 | Confident | 80.2 | Confident | 35 Ų | 35 | 84.6 Ų | 84.6 | 16% | 0.164 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.1 | -50.9 | -176.3 | -165.7 | -161 | 141.1 | 0 | 0 | 113.3 | W93 K99 V100 K101 V271 | W93-E97 WeakPolarHBondContact O-CB 3.41Å; W93-E97 PolarHBondContact O-N 2.96Å; E97-K99 VanDerWaalsContact C-N 3.25Å; E97-K99 PolarHBondContact O-N 2.89Å; E97-V100 PolarHBondContact O-N 3.05Å; E97-V100 VanDerWaalsContact O-N 3.15Å; E97-K101 HydrophobicContact CG-CD 4.43Å; E97-K101 PolarHBondContact O-N 3.24Å; E97-K101 VanDerWaalsContact OE1-CE 3.26Å; E97-K101 WeakPolarHBondContact OE1-CE 3.29Å; E97-K101 IonicContact OE1-NZ 2.64Å; E97-K101 PolarHBondContact OE1-NZ 3.45Å; E97-V271 HydrophobicContact CG-CG1 4.03Å |
| 98 | V | 82.1 | Confident | 80.8 | Confident | 80 Ų | 80 | 83.3 Ų | 83.3 | 49% | 0.485 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.1 | -39.4 | 178.8 | 179.7 | 0 | 0 | 0 | 0 | 111 | R102 | V98-R102 WeakPolarHBondContact O-CG 3.35Å; V98-R102 PolarHBondContact O-N 3.16Å; V98-R102 VanDerWaalsContact O-N 3.13Å |
| 99 | K | 84.6 | Confident | 81.4 | Confident | 114 Ų | 114 | 83.7 Ų | 83.7 | 50% | 0.496 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.7 | -39.8 | 178.1 | -68 | -177.1 | 179.4 | -175 | 0 | 111.7 | L85 T96 E97 R102 A103 | L85-K99 HydrophobicContact CD1-CB 4Å; T96-K99 PolarHBondContact O-N 2.94Å; E97-K99 VanDerWaalsContact C-N 3.25Å; E97-K99 PolarHBondContact O-N 2.89Å; K99-R102 PolarHBondContact O-N 3.01Å; K99-A103 WeakPolarHBondContact O-CB 3.41Å; K99-A103 PolarHBondContact O-N 3.38Å |
| 100 | V | 84 | Confident | 82.3 | Confident | 2 Ų | 2 | 84.2 Ų | 84.2 | 1% | 0.012 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.1 | -47.6 | 176.3 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | L85 L86 T96 E97 R102 A103 V104 V271 | L85-V100 HydrophobicContact CB-CG2 3.77Å; L85-V100 HydrophobicContact CD1-CG2 4.08Å; L86-V100 HydrophobicContact CD1-CG1 4.4Å; L86-V100 HydrophobicContact CD2-CG1 3.88Å; L86-V100 HydrophobicContact CD2-CG2 4.07Å; L86-V100 HydrophobicContact CG-CG1 4.14Å; L86-V100 HydrophobicContact CG-CG2 4.18Å; T96-V100 HydrophobicContact CG2-CG2 4.01Å; T96-V100 WeakPolarHBondContact O-CB 3.49Å; T96-V100 VanDerWaalsContact O-CG2 3.25Å; T96-V100 WeakPolarHBondContact O-CG2 3.23Å; T96-V100 PolarHBondContact O-N 3.04Å; E97-V100 PolarHBondContact O-N 3.05Å; E97-V100 VanDerWaalsContact O-N 3.15Å; V100-R102 VanDerWaalsContact C-N 3.28Å; V100-R102 PolarHBondContact O-N 3.27Å; V100-A103 PolarHBondContact O-N 3.12Å; V100-V104 HydrophobicContact CG1-CG2 4.14Å; V100-V104 WeakPolarHBondContact O-CG2 3.48Å; V100-V104 PolarHBondContact O-N 3.3Å; V100-V271 HydrophobicContact CG1-CG1 4.17Å; V100-V271 HydrophobicContact CG1-CG2 3.7Å |
| 101 | K | 84.6 | Confident | 83.2 | Confident | 69 Ų | 69 | 74 Ų | 74 | 30% | 0.3 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -56.1 | -43.6 | 177 | -76 | 177.6 | 172.3 | 170.2 | 0 | 111.2 | E97 A105 V271 E275 | E97-K101 HydrophobicContact CG-CD 4.43Å; E97-K101 PolarHBondContact O-N 3.24Å; E97-K101 VanDerWaalsContact OE1-CE 3.26Å; E97-K101 WeakPolarHBondContact OE1-CE 3.29Å; E97-K101 IonicContact OE1-NZ 2.64Å; E97-K101 PolarHBondContact OE1-NZ 3.45Å; K101-A105 WeakPolarHBondContact O-CB 3.43Å; K101-A105 PolarHBondContact O-N 2.75Å; K101-V271 HydrophobicContact CG-CG1 4.03Å; K101-E275 IonicContact NZ-OE2 3.48Å; K101-E275 PolarHBondContact NZ-OE2 3.45Å |
| 102 | R | 88.2 | Confident | 84.4 | Confident | 186 Ų | 186 | 73.8 Ų | 73.8 | 70% | 0.702 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.4 | -42.4 | 174.2 | -73.1 | -178.9 | -177.4 | -173.7 | 0.9 | 113 | V98 K99 V100 A105 L106 | V98-R102 WeakPolarHBondContact O-CG 3.35Å; V98-R102 PolarHBondContact O-N 3.16Å; V98-R102 VanDerWaalsContact O-N 3.13Å; K99-R102 PolarHBondContact O-N 3.01Å; V100-R102 VanDerWaalsContact C-N 3.28Å; V100-R102 PolarHBondContact O-N 3.27Å; R102-A105 PolarHBondContact O-N 2.83Å; R102-L106 WeakPolarHBondContact O-CB 3.36Å; R102-L106 PolarHBondContact O-N 2.9Å |
| 103 | A | 89 | Confident | 85.9 | Confident | 8 Ų | 8 | 71.1 Ų | 71.1 | 7% | 0.066 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F81 M82 K99 V100 L106 Y107 | F81-A103 HydrophobicContact CD1-CB 4.03Å; F81-A103 HydrophobicContact CE1-CB 4.29Å; M82-A103 HydrophobicContact CG-CB 3.54Å; M82-A103 HydrophobicContact SD-CB 4.39Å; K99-A103 WeakPolarHBondContact O-CB 3.41Å; K99-A103 PolarHBondContact O-N 3.38Å; V100-A103 PolarHBondContact O-N 3.12Å; A103-L106 PolarHBondContact O-N 3.3Å; A103-Y107 VanDerWaalsContact O-CB 3.27Å; A103-Y107 WeakPolarHBondContact O-CB 3.29Å; A103-Y107 PolarHBondContact O-N 3.43Å |
| 104 | V | 90 | Very high | 87.3 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 174.4 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | M82 V100 L106 Y107 L108 C268 | M82-V104 WeakPolarHBondContact SD-CA 3.32Å; M82-V104 HydrophobicContact SD-CB 3.97Å; M82-V104 HydrophobicContact SD-CG2 3.38Å; M82-V104 WeakPolarHBondContact SD-CG2 3.46Å; V100-V104 HydrophobicContact CG1-CG2 4.14Å; V100-V104 WeakPolarHBondContact O-CG2 3.48Å; V100-V104 PolarHBondContact O-N 3.3Å; V104-L106 PolarHBondContact O-N 3.49Å; V104-Y107 WeakPolarHBondContact O-CB 3.38Å; V104-Y107 PolarHBondContact O-N 2.88Å; V104-L108 HydrophobicContact CG1-CD1 4.22Å; V104-L108 WeakPolarHBondContact O-CG 3.18Å; V104-L108 PolarHBondContact O-N 2.95Å; V104-C268 HydrophobicContact CG1-CB 3.81Å |
| 105 | A | 91.4 | Very high | 88.6 | Confident | 53 Ų | 53 | 56 Ų | 56 | 44% | 0.438 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K101 R102 Y107 L108 V109 | K101-A105 WeakPolarHBondContact O-CB 3.43Å; K101-A105 PolarHBondContact O-N 2.75Å; R102-A105 PolarHBondContact O-N 2.83Å; A105-Y107 VanDerWaalsContact C-N 3.33Å; A105-Y107 PolarHBondContact O-N 3.34Å; A105-L108 PolarHBondContact O-N 3.43Å; A105-V109 WeakPolarHBondContact O-CG2 3.38Å; A105-V109 PolarHBondContact O-N 2.73Å |
| 106 | L | 92.9 | Very high | 89.8 | Confident | 89 Ų | 89 | 53.5 Ų | 53.5 | 47% | 0.466 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 177.5 | -171.7 | 70.4 | 0 | 0 | 0 | 111.8 | R102 A103 V104 V109 F110 | R102-L106 WeakPolarHBondContact O-CB 3.36Å; R102-L106 PolarHBondContact O-N 2.9Å; A103-L106 PolarHBondContact O-N 3.3Å; V104-L106 PolarHBondContact O-N 3.49Å; L106-V109 PolarHBondContact O-N 3.23Å; L106-F110 HydrophobicContact CD1-CE2 3.92Å; L106-F110 HydrophobicContact CD1-CZ 4.4Å; L106-F110 HydrophobicContact CD2-CE2 3.96Å; L106-F110 HydrophobicContact CG-CD2 4Å; L106-F110 HydrophobicContact CG-CE2 3.6Å; L106-F110 VanDerWaalsContact O-CD2 3.25Å; L106-F110 WeakPolarHBondContact O-CD2 3.48Å; L106-F110 PolarHBondContact O-N 3.32Å |
| 107 | Y | 93.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.4 | -46 | 174.8 | 172.9 | -109.1 | 0 | 0 | 0 | 112.3 | F28 C78 Q79 M82 A103 V104 A105 V109 F110 L111 S260 | F28-Y107 HydrophobicContact CE2-CE2 4.07Å; C78-Y107 HydrophobicContact CB-CD2 4.2Å; Q79-Y107 HydrophobicContact CB-CD2 4.36Å; Q79-Y107 HydrophobicContact CB-CE2 3.99Å; Q79-Y107 HydrophobicContact CG-CE2 4.46Å; M82-Y107 HydrophobicContact CE-CD1 3.56Å; M82-Y107 HydrophobicContact CE-CD2 3.88Å; M82-Y107 HydrophobicContact CE-CE1 4.1Å; M82-Y107 HydrophobicContact CE-CE2 4.38Å; M82-Y107 HydrophobicContact CE-CG 3.41Å; M82-Y107 VanDerWaalsContact CE-CG 3.41Å; A103-Y107 VanDerWaalsContact O-CB 3.27Å; A103-Y107 WeakPolarHBondContact O-CB 3.29Å; A103-Y107 PolarHBondContact O-N 3.43Å; V104-Y107 WeakPolarHBondContact O-CB 3.38Å; V104-Y107 PolarHBondContact O-N 2.88Å; A105-Y107 VanDerWaalsContact C-N 3.33Å; A105-Y107 PolarHBondContact O-N 3.34Å; Y107-V109 VanDerWaalsContact C-N 3.31Å; Y107-V109 PolarHBondContact O-N 3.42Å; Y107-F110 PolarHBondContact O-N 3.07Å; Y107-L111 HydrophobicContact CD1-CD1 4.07Å; Y107-L111 HydrophobicContact CD1-CG 4.49Å; Y107-L111 HydrophobicContact CD2-CG 4.45Å; Y107-L111 HydrophobicContact CE1-CD1 3.47Å; Y107-L111 VanDerWaalsContact CE1-CD1 3.47Å; Y107-L111 HydrophobicContact CE1-CG 4.17Å; Y107-L111 HydrophobicContact CE2-CD1 4.22Å; Y107-L111 HydrophobicContact CE2-CD2 4.12Å; Y107-L111 HydrophobicContact CE2-CG 4.12Å; Y107-L111 WeakPolarHBondContact O-CG 3.37Å; Y107-L111 PolarHBondContact O-N 3.46Å; Y107-S260 WeakPolarHBondContact OH-CB 2.99Å |
| 108 | L | 93.7 | Very high | 91.4 | Very high | 33 Ų | 33 | 51.8 Ų | 51.8 | 17% | 0.173 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 176.7 | -69.9 | 174.1 | 0 | 0 | 0 | 112.2 | V104 A105 L111 F112 F261 I265 | V104-L108 HydrophobicContact CG1-CD1 4.22Å; V104-L108 WeakPolarHBondContact O-CG 3.18Å; V104-L108 PolarHBondContact O-N 2.95Å; A105-L108 PolarHBondContact O-N 3.43Å; L108-L111 PolarHBondContact O-N 3.39Å; L108-F112 WeakPolarHBondContact O-CB 3.24Å; L108-F112 PolarHBondContact O-N 3.42Å; L108-F261 HydrophobicContact CB-CE2 4.33Å; L108-F261 HydrophobicContact CD2-CD2 3.81Å; L108-F261 HydrophobicContact CD2-CE2 3.87Å; L108-F261 HydrophobicContact CD2-CG 4.27Å; L108-F261 HydrophobicContact CD2-CZ 4.39Å; L108-I265 HydrophobicContact CD2-CG1 4.39Å |
| 109 | V | 95.2 | Very high | 91.9 | Very high | 94 Ų | 94 | 52.9 Ų | 52.9 | 57% | 0.57 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.1 | -45.7 | 173.7 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | A105 L106 Y107 F112 A113 | A105-V109 WeakPolarHBondContact O-CG2 3.38Å; A105-V109 PolarHBondContact O-N 2.73Å; L106-V109 PolarHBondContact O-N 3.23Å; Y107-V109 VanDerWaalsContact C-N 3.31Å; Y107-V109 PolarHBondContact O-N 3.42Å; V109-F112 PolarHBondContact O-N 2.98Å; V109-A113 WeakPolarHBondContact O-CB 3.33Å; V109-A113 PolarHBondContact O-N 3.38Å |
| 110 | F | 94.6 | Very high | 92.4 | Very high | 44 Ų | 44 | 52.8 Ų | 52.8 | 19% | 0.193 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 176.9 | -75 | -56.7 | 0 | 0 | 0 | 112.6 | L74 S75 C78 L106 Y107 F112 A113 V114 | L74-F110 HydrophobicContact CB-CD1 4.27Å; L74-F110 HydrophobicContact CB-CE1 4.17Å; L74-F110 HydrophobicContact CB-CE2 4.43Å; L74-F110 HydrophobicContact CB-CG 4.47Å; L74-F110 HydrophobicContact CB-CZ 4.25Å; L74-F110 HydrophobicContact CD1-CD1 4.46Å; L74-F110 HydrophobicContact CD1-CE1 3.87Å; L74-F110 HydrophobicContact CD1-CZ 4.28Å; S75-F110 WeakPolarHBondContact OG-CB 3.45Å; C78-F110 VanDerWaalsContact SG-CD2 3.58Å; C78-F110 VanDerWaalsContact SG-CE2 3.57Å; L106-F110 HydrophobicContact CD1-CE2 3.92Å; L106-F110 HydrophobicContact CD1-CZ 4.4Å; L106-F110 HydrophobicContact CD2-CE2 3.96Å; L106-F110 HydrophobicContact CG-CD2 4Å; L106-F110 HydrophobicContact CG-CE2 3.6Å; L106-F110 VanDerWaalsContact O-CD2 3.25Å; L106-F110 WeakPolarHBondContact O-CD2 3.48Å; L106-F110 PolarHBondContact O-N 3.32Å; Y107-F110 PolarHBondContact O-N 3.07Å; F110-F112 VanDerWaalsContact C-N 3.29Å; F110-F112 PolarHBondContact O-N 3.48Å; F110-A113 PolarHBondContact O-N 2.93Å; F110-A113 VanDerWaalsContact O-N 3.14Å; F110-V114 VanDerWaalsContact O-CG2 3.29Å; F110-V114 WeakPolarHBondContact O-CG2 3.3Å; F110-V114 PolarHBondContact O-N 3.19Å |
| 111 | L | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 174.7 | -69.9 | -174.8 | 0 | 0 | 0 | 111.7 | F28 Y107 L108 V114 T115 V257 F261 | F28-L111 HydrophobicContact CE2-CD2 4.07Å; F28-L111 HydrophobicContact CZ-CD2 3.65Å; Y107-L111 HydrophobicContact CD1-CD1 4.07Å; Y107-L111 HydrophobicContact CD1-CG 4.49Å; Y107-L111 HydrophobicContact CD2-CG 4.45Å; Y107-L111 HydrophobicContact CE1-CD1 3.47Å; Y107-L111 VanDerWaalsContact CE1-CD1 3.47Å; Y107-L111 HydrophobicContact CE1-CG 4.17Å; Y107-L111 HydrophobicContact CE2-CD1 4.22Å; Y107-L111 HydrophobicContact CE2-CD2 4.12Å; Y107-L111 HydrophobicContact CE2-CG 4.12Å; Y107-L111 WeakPolarHBondContact O-CG 3.37Å; Y107-L111 PolarHBondContact O-N 3.46Å; L108-L111 PolarHBondContact O-N 3.39Å; L111-V114 PolarHBondContact O-N 2.79Å; L111-T115 WeakPolarHBondContact O-CG2 3.27Å; L111-T115 PolarHBondContact O-N 3.35Å; L111-V257 HydrophobicContact CB-CG1 4.48Å; L111-V257 HydrophobicContact CD2-CG1 4.27Å; L111-F261 HydrophobicContact CB-CD2 3.93Å; L111-F261 HydrophobicContact CD1-CB 4.11Å; L111-F261 HydrophobicContact CD1-CD2 4.13Å |
| 112 | F | 95 | Very high | 93 | Very high | 129 Ų | 129 | 51 Ų | 51 | 57% | 0.566 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -66.5 | -40.6 | 174.4 | -174.1 | -94.6 | 0 | 0 | 0 | 112.1 | L108 V109 F110 V114 T115 I116 | L108-F112 WeakPolarHBondContact O-CB 3.24Å; L108-F112 PolarHBondContact O-N 3.42Å; V109-F112 PolarHBondContact O-N 2.98Å; F110-F112 VanDerWaalsContact C-N 3.29Å; F110-F112 PolarHBondContact O-N 3.48Å; F112-V114 PolarHBondContact O-N 3.43Å; F112-T115 PolarHBondContact O-N 3.38Å; F112-T115 PolarHBondContact O-OG1 3.15Å; F112-I116 HydrophobicContact CE1-CD1 4.27Å |
| 113 | A | 95.6 | Very high | 93 | Very high | 34 Ų | 34 | 49.4 Ų | 49.4 | 28% | 0.281 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.8 | -31.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V109 F110 P117 | V109-A113 WeakPolarHBondContact O-CB 3.33Å; V109-A113 PolarHBondContact O-N 3.38Å; F110-A113 PolarHBondContact O-N 2.93Å; F110-A113 VanDerWaalsContact O-N 3.14Å; A113-P117 WeakPolarHBondContact O-CD 3.47Å |
| 114 | V | 95.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.6 | -31.2 | 175.9 | 170.4 | 0 | 0 | 0 | 0 | 112.6 | L71 L72 F110 L111 F112 I116 P117 H118 V257 | L71-V114 HydrophobicContact CB-CG2 3.39Å; L71-V114 HydrophobicContact CD1-CG2 4.41Å; L72-V114 HydrophobicContact CD2-CG1 3.94Å; L72-V114 HydrophobicContact CD2-CG2 4.32Å; L72-V114 HydrophobicContact CG-CG1 4.33Å; F110-V114 VanDerWaalsContact O-CG2 3.29Å; F110-V114 WeakPolarHBondContact O-CG2 3.3Å; F110-V114 PolarHBondContact O-N 3.19Å; L111-V114 PolarHBondContact O-N 2.79Å; F112-V114 PolarHBondContact O-N 3.43Å; V114-I116 PolarHBondContact O-N 2.87Å; V114-P117 VanDerWaalsContact O-CD 3.3Å; V114-P117 WeakPolarHBondContact O-CD 3.47Å; V114-P117 WeakPolarHBondContact O-CG 3.48Å; V114-H118 WeakPolarHBondContact CG1-CE1 3.47Å; V114-H118 VanDerWaalsContact CG1-ND1 3.32Å; V114-H118 WeakPolarHBondContact CG1-ND1 3.47Å; V114-H118 PolarHBondContact O-N 2.97Å; V114-H118 PolarHBondContact O-ND1 3.1Å; V114-V257 HydrophobicContact CG1-CG1 4.44Å; V114-V257 HydrophobicContact CG1-CG2 3.88Å |
| 115 | T | 93.9 | Very high | 92.6 | Very high | 30 Ų | 30 | 50.4 Ų | 50.4 | 18% | 0.184 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70 | -33 | -176 | 61 | 0 | 0 | 0 | 0 | 112.7 | L111 F112 H118 I119 L254 V257 | L111-T115 WeakPolarHBondContact O-CG2 3.27Å; L111-T115 PolarHBondContact O-N 3.35Å; F112-T115 PolarHBondContact O-N 3.38Å; F112-T115 PolarHBondContact O-OG1 3.15Å; T115-H118 PolarHBondContact O-N 3.43Å; T115-I119 VanDerWaalsContact O-CG1 3.29Å; T115-I119 WeakPolarHBondContact O-CG1 3.4Å; T115-I119 PolarHBondContact O-N 2.85Å; T115-L254 HydrophobicContact CG2-CD1 4.15Å; T115-V257 HydrophobicContact CG2-CG1 3.93Å |
| 116 | I | 94.7 | Very high | 92.2 | Very high | 104 Ų | 104 | 55 Ų | 55 | 53% | 0.533 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.7 | -57 | 179.7 | -60 | 173.5 | 0 | 0 | 0 | 112 | F112 V114 H118 I119 Y120 | F112-I116 HydrophobicContact CE1-CD1 4.27Å; V114-I116 PolarHBondContact O-N 2.87Å; I116-H118 VanDerWaalsContact C-N 3.29Å; I116-H118 PolarHBondContact O-N 3.25Å; I116-I119 PolarHBondContact O-N 2.91Å; I116-Y120 PolarHBondContact O-N 2.96Å |
| 117 | P | 94.5 | Very high | 91.7 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 10% | 0.104 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.1 | -29.4 | 178.7 | 25.8 | -33.8 | 0 | 0 | 0 | 112.7 | L64 I68 L71 A113 V114 Y120 C121 | L64-P117 HydrophobicContact CD2-CB 4.38Å; I68-P117 HydrophobicContact CD1-CB 4.34Å; I68-P117 HydrophobicContact CG1-CB 3.84Å; I68-P117 HydrophobicContact CG1-CG 3.95Å; L71-P117 HydrophobicContact CD1-CG 4.1Å; A113-P117 WeakPolarHBondContact O-CD 3.47Å; V114-P117 VanDerWaalsContact O-CD 3.3Å; V114-P117 WeakPolarHBondContact O-CD 3.47Å; V114-P117 WeakPolarHBondContact O-CG 3.48Å; P117-Y120 PolarHBondContact O-N 3.49Å; P117-C121 VanDerWaalsContact O-CB 3.29Å; P117-C121 WeakPolarHBondContact O-CB 3.27Å; P117-C121 PolarHBondContact O-N 3.44Å |
| 118 | H | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 172.1 | -84.4 | 86.1 | 0 | 0 | 0 | 112.1 | I68 V114 T115 I116 Y120 C121 L122 P250 S253 L254 | I68-H118 WeakPolarHBondContact CG2-CE1 3.18Å; V114-H118 WeakPolarHBondContact CG1-CE1 3.47Å; V114-H118 VanDerWaalsContact CG1-ND1 3.32Å; V114-H118 WeakPolarHBondContact CG1-ND1 3.47Å; V114-H118 PolarHBondContact O-N 2.97Å; V114-H118 PolarHBondContact O-ND1 3.1Å; T115-H118 PolarHBondContact O-N 3.43Å; I116-H118 VanDerWaalsContact C-N 3.29Å; I116-H118 PolarHBondContact O-N 3.25Å; H118-Y120 VanDerWaalsContact C-N 3.29Å; H118-Y120 PolarHBondContact O-N 3.43Å; H118-C121 PolarHBondContact O-N 2.85Å; H118-L122 WeakPolarHBondContact O-CG 3.49Å; H118-L122 PolarHBondContact O-N 3.39Å; H118-P250 PolarHBondContact CD2-O 2.88Å; H118-S253 PolarHBondContact CE1-OG 3.35Å; H118-S253 VanDerWaalsContact NE2-CB 3.27Å; H118-S253 WeakPolarHBondContact NE2-CB 3.31Å; H118-S253 PolarHBondContact NE2-OG 3.36Å; H118-L254 HydrophobicContact CB-CD1 4.03Å |
| 119 | I | 93.3 | Very high | 90.4 | Very high | 102 Ų | 102 | 57.6 Ų | 57.6 | 52% | 0.523 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 178.8 | -67.5 | 166.7 | 0 | 0 | 0 | 110 | T115 I116 L122 Y123 | T115-I119 VanDerWaalsContact O-CG1 3.29Å; T115-I119 WeakPolarHBondContact O-CG1 3.4Å; T115-I119 PolarHBondContact O-N 2.85Å; I116-I119 PolarHBondContact O-N 2.91Å; I119-L122 PolarHBondContact O-N 3.43Å; I119-Y123 WeakPolarHBondContact O-CB 3.27Å; I119-Y123 PolarHBondContact O-N 3.39Å |
| 120 | Y | 93.3 | Very high | 89.4 | Confident | 113 Ų | 113 | 57.9 Ų | 57.9 | 44% | 0.443 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 176.3 | -175.5 | -95.6 | 0 | 0 | 0 | 111.9 | L64 I116 P117 H118 L122 Y123 H124 | L64-Y120 HydrophobicContact CD1-CD1 3.6Å; L64-Y120 HydrophobicContact CD1-CE1 3.75Å; L64-Y120 HydrophobicContact CD2-CD1 3.69Å; L64-Y120 HydrophobicContact CD2-CE1 4.25Å; L64-Y120 HydrophobicContact CG-CD1 4.27Å; I116-Y120 PolarHBondContact O-N 2.96Å; P117-Y120 PolarHBondContact O-N 3.49Å; H118-Y120 VanDerWaalsContact C-N 3.29Å; H118-Y120 PolarHBondContact O-N 3.43Å; Y120-L122 PolarHBondContact O-N 2.85Å; Y120-Y123 PolarHBondContact O-N 2.86Å; Y120-H124 HydrophobicContact CE1-CB 4.44Å; Y120-H124 VanDerWaalsContact O-CB 3.3Å; Y120-H124 WeakPolarHBondContact O-CB 3.33Å; Y120-H124 PolarHBondContact O-N 3.37Å |
| 121 | C | 91 | Very high | 88.5 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57 | -47.7 | 176.2 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | E61 L64 I68 P117 H118 Y123 H124 V125 | E61-C121 PolarHBondContact OE2-SG 2.83Å; E61-C121 VanDerWaalsContact OE2-SG 3.35Å; L64-C121 HydrophobicContact CD1-CB 4.43Å; I68-C121 HydrophobicContact CD1-CB 4.49Å; P117-C121 VanDerWaalsContact O-CB 3.29Å; P117-C121 WeakPolarHBondContact O-CB 3.27Å; P117-C121 PolarHBondContact O-N 3.44Å; H118-C121 PolarHBondContact O-N 2.85Å; C121-Y123 VanDerWaalsContact C-N 3.35Å; C121-Y123 PolarHBondContact O-N 2.87Å; C121-H124 PolarHBondContact O-N 2.88Å; C121-V125 WeakPolarHBondContact O-CB 3.4Å; C121-V125 VanDerWaalsContact O-CG2 3.31Å; C121-V125 WeakPolarHBondContact O-CG2 3.26Å; C121-V125 PolarHBondContact O-N 3.17Å |
| 122 | L | 90.4 | Very high | 87.4 | Confident | 32 Ų | 32 | 63.5 Ų | 63.5 | 17% | 0.168 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 177.8 | -67.9 | 175.5 | 0 | 0 | 0 | 113 | H118 I119 Y120 K126 F247 P250 V251 L254 | H118-L122 WeakPolarHBondContact O-CG 3.49Å; H118-L122 PolarHBondContact O-N 3.39Å; I119-L122 PolarHBondContact O-N 3.43Å; Y120-L122 PolarHBondContact O-N 2.85Å; L122-K126 WeakPolarHBondContact O-CB 3.41Å; L122-K126 PolarHBondContact O-N 3.32Å; L122-K126 VanDerWaalsContact O-N 3.13Å; L122-F247 HydrophobicContact CD2-CD2 3.87Å; L122-F247 HydrophobicContact CD2-CE2 3.88Å; L122-P250 HydrophobicContact CD2-CB 4.06Å; L122-P250 HydrophobicContact CG-CB 4.46Å; L122-V251 HydrophobicContact CD1-CG2 4.32Å; L122-V251 HydrophobicContact CD2-CG2 3.65Å; L122-L254 HydrophobicContact CD1-CD2 4.12Å |
| 123 | Y | 89.6 | Confident | 86.2 | Confident | 154 Ų | 154 | 60.9 Ų | 60.9 | 60% | 0.604 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.4 | -43.4 | 175.2 | 172.9 | -97.6 | 0 | 0 | 0 | 111.6 | I119 Y120 C121 K126 T127 | I119-Y123 WeakPolarHBondContact O-CB 3.27Å; I119-Y123 PolarHBondContact O-N 3.39Å; Y120-Y123 PolarHBondContact O-N 2.86Å; C121-Y123 VanDerWaalsContact C-N 3.35Å; C121-Y123 PolarHBondContact O-N 2.87Å; Y123-K126 PolarHBondContact O-N 3.08Å; Y123-T127 WeakPolarHBondContact O-CB 3.42Å; Y123-T127 PolarHBondContact O-N 2.94Å; Y123-T127 PolarHBondContact O-OG1 3.4Å |
| 124 | H | 85.2 | Confident | 84.9 | Confident | 26 Ų | 26 | 68.7 Ų | 68.7 | 12% | 0.12 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.9 | -50.1 | -178.1 | -164.3 | -123.8 | 0 | 0 | 0 | 111 | E60 E61 Y120 C121 K126 T127 I128 | E60-H124 IonicContact OE2-CE1 2.79Å; E60-H124 PolarHBondContact OE2-CE1 3.34Å; E60-H124 IonicContact OE2-NE2 3.45Å; E60-H124 PolarHBondContact OE2-NE2 2.89Å; E61-H124 IonicContact OE1-CE1 2.75Å; E61-H124 IonicContact OE1-CG 3.24Å; E61-H124 IonicContact OE1-ND1 3.45Å; E61-H124 PolarHBondContact OE1-ND1 3.07Å; Y120-H124 HydrophobicContact CE1-CB 4.44Å; Y120-H124 VanDerWaalsContact O-CB 3.3Å; Y120-H124 WeakPolarHBondContact O-CB 3.33Å; Y120-H124 PolarHBondContact O-N 3.37Å; C121-H124 PolarHBondContact O-N 2.88Å; H124-K126 VanDerWaalsContact C-N 3.32Å; H124-K126 PolarHBondContact O-N 2.94Å; H124-T127 PolarHBondContact O-N 3.4Å; H124-T127 VanDerWaalsContact O-N 3.13Å; H124-I128 WeakPolarHBondContact CE1-CD1 3.4Å; H124-I128 VanDerWaalsContact ND1-CD1 3.27Å; H124-I128 WeakPolarHBondContact ND1-CD1 3.41Å; H124-I128 WeakPolarHBondContact NE2-CD1 3.46Å; H124-I128 WeakPolarHBondContact O-CB 3.47Å; H124-I128 WeakPolarHBondContact O-CG1 3.27Å; H124-I128 PolarHBondContact O-N 3.45Å |
| 125 | V | 83.9 | Confident | 84 | Confident | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.024 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56 | -44.6 | 174.7 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | C121 I128 R129 L243 F247 | C121-V125 WeakPolarHBondContact O-CB 3.4Å; C121-V125 VanDerWaalsContact O-CG2 3.31Å; C121-V125 WeakPolarHBondContact O-CG2 3.26Å; C121-V125 PolarHBondContact O-N 3.17Å; V125-I128 PolarHBondContact O-N 2.83Å; V125-R129 WeakPolarHBondContact O-CB 3.3Å; V125-R129 PolarHBondContact O-N 3.21Å; V125-L243 HydrophobicContact CG1-CD2 4.22Å; V125-F247 HydrophobicContact CG1-CB 4.16Å; V125-F247 HydrophobicContact CG1-CD2 4.26Å |
| 126 | K | 83.9 | Confident | 83.3 | Confident | 149 Ų | 149 | 69.5 Ų | 69.5 | 65% | 0.648 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.2 | -44.8 | 177.7 | -176.4 | 177.9 | 179.7 | 179.9 | 0 | 112 | L122 Y123 H124 T130 | L122-K126 WeakPolarHBondContact O-CB 3.41Å; L122-K126 PolarHBondContact O-N 3.32Å; L122-K126 VanDerWaalsContact O-N 3.13Å; Y123-K126 PolarHBondContact O-N 3.08Å; H124-K126 VanDerWaalsContact C-N 3.32Å; H124-K126 PolarHBondContact O-N 2.94Å; K126-T130 PolarHBondContact O-N 3.22Å |
| 127 | T | 83.1 | Confident | 82.8 | Confident | 33 Ų | 33 | 68.2 Ų | 68.2 | 20% | 0.202 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.1 | -45.1 | -179.8 | -59 | 0 | 0 | 0 | 0 | 110.6 | Y123 H124 T130 K131 | Y123-T127 WeakPolarHBondContact O-CB 3.42Å; Y123-T127 PolarHBondContact O-N 2.94Å; Y123-T127 PolarHBondContact O-OG1 3.4Å; H124-T127 PolarHBondContact O-N 3.4Å; H124-T127 VanDerWaalsContact O-N 3.13Å; T127-T130 PolarHBondContact O-N 3.38Å; T127-T130 PolarHBondContact O-OG1 3.44Å; T127-K131 HydrophobicContact CG2-CD 4.17Å; T127-K131 PolarHBondContact O-N 3.41Å |
| 128 | I | 79.2 | Confident | 82.2 | Confident | 23 Ų | 23 | 74.2 Ų | 74.2 | 12% | 0.118 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.2 | -48.9 | 179.1 | -75.4 | 163.1 | 0 | 0 | 0 | 110.3 | Y57 H124 V125 T130 K131 L132 L243 | Y57-I128 HydrophobicContact CD2-CD1 3.44Å; Y57-I128 VanDerWaalsContact CD2-CD1 3.44Å; Y57-I128 HydrophobicContact CD2-CG2 4.21Å; Y57-I128 HydrophobicContact CE2-CD1 3.57Å; Y57-I128 HydrophobicContact CE2-CG2 4.01Å; H124-I128 WeakPolarHBondContact CE1-CD1 3.4Å; H124-I128 VanDerWaalsContact ND1-CD1 3.27Å; H124-I128 WeakPolarHBondContact ND1-CD1 3.41Å; H124-I128 WeakPolarHBondContact NE2-CD1 3.46Å; H124-I128 WeakPolarHBondContact O-CB 3.47Å; H124-I128 WeakPolarHBondContact O-CG1 3.27Å; H124-I128 PolarHBondContact O-N 3.45Å; V125-I128 PolarHBondContact O-N 2.83Å; I128-T130 PolarHBondContact O-N 2.95Å; I128-K131 PolarHBondContact O-N 3.02Å; I128-L132 HydrophobicContact CG2-CB 3.72Å; I128-L132 HydrophobicContact CG2-CD1 4.23Å; I128-L132 HydrophobicContact CG2-CD2 3.64Å; I128-L132 HydrophobicContact CG2-CG 4.05Å; I128-L132 WeakPolarHBondContact O-CA 3.31Å; I128-L132 WeakPolarHBondContact O-CB 3.14Å; I128-L132 PolarHBondContact O-N 3Å; I128-L243 HydrophobicContact CG2-CD2 4.31Å |
| 129 | R | 78.9 | Confident | 81.7 | Confident | 123 Ų | 123 | 78.9 Ų | 78.9 | 46% | 0.464 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -50.9 | -37.4 | -179.9 | -169.4 | 175.8 | -173.5 | 178.3 | 3.9 | 112.9 | V125 E240 L243 | V125-R129 WeakPolarHBondContact O-CB 3.3Å; V125-R129 PolarHBondContact O-N 3.21Å; R129-E240 IonicContact CZ-OE1 3.89Å; R129-E240 IonicContact NE-OE1 3.44Å; R129-E240 IonicContact NH2-OE1 3.84Å; R129-E240 PolarHBondContact NH2-OE1 3.33Å; R129-L243 HydrophobicContact CB-CD1 4.47Å; R129-L243 HydrophobicContact CG-CD1 4.33Å |
| 130 | T | 75.3 | Confident | 81.3 | Confident | 99 Ų | 99 | 74 Ų | 74 | 61% | 0.607 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -76.5 | -35.3 | 177.9 | 60.1 | 0 | 0 | 0 | 0 | 114.6 | K126 T127 I128 | K126-T130 PolarHBondContact O-N 3.22Å; T127-T130 PolarHBondContact O-N 3.38Å; T127-T130 PolarHBondContact O-OG1 3.44Å; I128-T130 PolarHBondContact O-N 2.95Å |
| 131 | K | 75.6 | Confident | 81.1 | Confident | 144 Ų | 144 | 71 Ų | 71 | 63% | 0.626 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -91.4 | -30.9 | -175.9 | -67.9 | -176.9 | 179 | -178.9 | 0 | 113.3 | T127 I128 S135 | T127-K131 HydrophobicContact CG2-CD 4.17Å; T127-K131 PolarHBondContact O-N 3.41Å; I128-K131 PolarHBondContact O-N 3.02Å; K131-S135 VanDerWaalsContact O-CB 3.31Å; K131-S135 WeakPolarHBondContact O-CB 3.34Å; K131-S135 PolarHBondContact O-N 3.4Å; K131-S135 VanDerWaalsContact O-N 3.14Å |
| 132 | L | 71.1 | Confident | 80.9 | Confident | 19 Ų | 19 | 77 Ų | 77 | 10% | 0.099 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.4 | -39.3 | -166.7 | -172.5 | 70.8 | 0 | 0 | 0 | 111.9 | I53 I128 W134 S135 I136 I239 L243 | I53-L132 HydrophobicContact CG2-CD2 4.46Å; I128-L132 HydrophobicContact CG2-CB 3.72Å; I128-L132 HydrophobicContact CG2-CD1 4.23Å; I128-L132 HydrophobicContact CG2-CD2 3.64Å; I128-L132 HydrophobicContact CG2-CG 4.05Å; I128-L132 WeakPolarHBondContact O-CA 3.31Å; I128-L132 WeakPolarHBondContact O-CB 3.14Å; I128-L132 PolarHBondContact O-N 3Å; L132-W134 VanDerWaalsContact C-N 3.34Å; L132-W134 PolarHBondContact O-N 2.99Å; L132-S135 PolarHBondContact O-N 3.35Å; L132-I136 HydrophobicContact CD1-CD1 3.72Å; L132-I136 HydrophobicContact CD1-CG1 3.77Å; L132-I136 HydrophobicContact CD2-CD1 3.79Å; L132-I136 HydrophobicContact CG-CD1 3.4Å; L132-I136 VanDerWaalsContact CG-CD1 3.4Å; L132-I136 HydrophobicContact CG-CG1 3.81Å; L132-I136 VanDerWaalsContact O-CB 3.28Å; L132-I136 WeakPolarHBondContact O-CB 3.47Å; L132-I136 VanDerWaalsContact O-CG1 3.24Å; L132-I136 WeakPolarHBondContact O-CG1 3.26Å; L132-I136 PolarHBondContact O-N 3.3Å; L132-I239 HydrophobicContact CD2-CG2 3.86Å; L132-L243 HydrophobicContact CD2-CD1 4.29Å |
| 133 | I | 69.4 | Low | 80.8 | Confident | 74 Ų | 74 | 76.2 Ų | 76.2 | 38% | 0.379 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.2 | -47 | -178.3 | -65 | 174 | 0 | 0 | 0 | 111.2 | K137 Y236 | I133-K137 PolarHBondContact O-N 2.89Å; I133-Y236 HydrophobicContact CG2-CD1 4.35Å; I133-Y236 HydrophobicContact CG2-CE1 3.8Å |
| 134 | W | 69.5 | Low | 80.8 | Confident | 198 Ų | 198 | 68.9 Ų | 68.9 | 75% | 0.75 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -69 | -44.3 | 177.3 | -71.7 | 107.9 | 0 | 0 | 0 | 112.2 | L132 I136 K137 E138 | L132-W134 VanDerWaalsContact C-N 3.34Å; L132-W134 PolarHBondContact O-N 2.99Å; W134-I136 VanDerWaalsContact C-N 3.32Å; W134-I136 PolarHBondContact O-N 3.43Å; W134-K137 PolarHBondContact O-N 2.7Å; W134-E138 PolarHBondContact O-N 3.34Å |
| 135 | S | 75.9 | Confident | 81.1 | Confident | 43 Ų | 43 | 70.5 Ų | 70.5 | 30% | 0.301 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.3 | -38.3 | -179.7 | -165.8 | 0 | 0 | 0 | 0 | 112.5 | K131 L132 Q139 | K131-S135 VanDerWaalsContact O-CB 3.31Å; K131-S135 WeakPolarHBondContact O-CB 3.34Å; K131-S135 PolarHBondContact O-N 3.4Å; K131-S135 VanDerWaalsContact O-N 3.14Å; L132-S135 PolarHBondContact O-N 3.35Å; S135-Q139 VanDerWaalsContact O-CB 3.25Å; S135-Q139 WeakPolarHBondContact O-CB 3.3Å; S135-Q139 VanDerWaalsContact O-CG 3.22Å; S135-Q139 WeakPolarHBondContact O-CG 3.47Å; S135-Q139 PolarHBondContact O-N 2.97Å; S135-Q139 PolarHBondContact OG-NE2 2.97Å |
| 136 | I | 78.7 | Confident | 81.4 | Confident | 4 Ų | 4 | 71.9 Ų | 71.9 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.7 | -42.9 | 179.9 | -77.3 | -178.9 | 0 | 0 | 0 | 110.6 | I53 L132 W134 E138 T140 F170 L235 I239 | I53-I136 HydrophobicContact CB-CD1 4.46Å; I53-I136 HydrophobicContact CG1-CD1 4.12Å; I53-I136 HydrophobicContact CG2-CD1 4.23Å; L132-I136 HydrophobicContact CD1-CD1 3.72Å; L132-I136 HydrophobicContact CD1-CG1 3.77Å; L132-I136 HydrophobicContact CD2-CD1 3.79Å; L132-I136 HydrophobicContact CG-CD1 3.4Å; L132-I136 VanDerWaalsContact CG-CD1 3.4Å; L132-I136 HydrophobicContact CG-CG1 3.81Å; L132-I136 VanDerWaalsContact O-CB 3.28Å; L132-I136 WeakPolarHBondContact O-CB 3.47Å; L132-I136 VanDerWaalsContact O-CG1 3.24Å; L132-I136 WeakPolarHBondContact O-CG1 3.26Å; L132-I136 PolarHBondContact O-N 3.3Å; W134-I136 VanDerWaalsContact C-N 3.32Å; W134-I136 PolarHBondContact O-N 3.43Å; I136-E138 PolarHBondContact O-N 2.73Å; I136-T140 WeakPolarHBondContact O-CB 3.44Å; I136-T140 PolarHBondContact O-N 3.42Å; I136-T140 PolarHBondContact O-OG1 2.87Å; I136-F170 HydrophobicContact CG2-CE2 4.23Å; I136-L235 HydrophobicContact CG2-CD2 3.75Å; I136-I239 HydrophobicContact CD1-CD1 3.33Å; I136-I239 HydrophobicContact CD1-CG1 4.4Å; I136-I239 HydrophobicContact CG2-CD1 4.46Å |
| 137 | K | 83.6 | Confident | 81.6 | Confident | 76 Ų | 76 | 68.4 Ų | 68.4 | 33% | 0.33 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -55.6 | -55.7 | 177 | 175.1 | 171.9 | -178.7 | -172.6 | 0 | 110.8 | I133 W134 T140 E141 F170 | I133-K137 PolarHBondContact O-N 2.89Å; W134-K137 PolarHBondContact O-N 2.7Å; K137-T140 PolarHBondContact O-N 3.25Å; K137-E141 WeakPolarHBondContact CE-OE1 3.18Å; K137-E141 WeakPolarHBondContact CE-OE2 3.38Å; K137-E141 HydrophobicContact CG-CG 4.43Å; K137-E141 VanDerWaalsContact O-CB 3.31Å; K137-E141 WeakPolarHBondContact O-CB 3.48Å; K137-E141 VanDerWaalsContact O-CG 3.27Å; K137-E141 WeakPolarHBondContact O-CG 3.11Å; K137-E141 PolarHBondContact O-N 3.45Å; K137-F170 VanDerWaalsContact CA-CZ 3.5Å; K137-F170 HydrophobicContact CB-CE1 3.77Å; K137-F170 HydrophobicContact CB-CZ 3.83Å; K137-F170 HydrophobicContact CD-CE1 4.12Å; K137-F170 HydrophobicContact CG-CD1 4.16Å; K137-F170 HydrophobicContact CG-CE1 3.52Å; K137-F170 HydrophobicContact CG-CZ 4.11Å |
| 138 | E | 83.2 | Confident | 81.9 | Confident | 142 Ų | 142 | 67.1 Ų | 67.1 | 66% | 0.664 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.7 | -47.8 | -175.6 | -169.7 | 169.5 | -162.6 | 0 | 0 | 111.6 | W134 I136 T140 E141 E142 | W134-E138 PolarHBondContact O-N 3.34Å; I136-E138 PolarHBondContact O-N 2.73Å; E138-T140 PolarHBondContact O-N 2.84Å; E138-E141 PolarHBondContact O-N 3.14Å; E138-E142 VanDerWaalsContact O-CB 3.29Å; E138-E142 WeakPolarHBondContact O-CB 3.2Å; E138-E142 PolarHBondContact O-N 3.32Å |
| 139 | Q | 82.6 | Confident | 82.3 | Confident | 98 Ų | 98 | 67.8 Ų | 67.8 | 46% | 0.458 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | 179.9 | -71.3 | 179.6 | 38.9 | 0 | 0 | 112.9 | S135 A143 | S135-Q139 VanDerWaalsContact O-CB 3.25Å; S135-Q139 WeakPolarHBondContact O-CB 3.3Å; S135-Q139 VanDerWaalsContact O-CG 3.22Å; S135-Q139 WeakPolarHBondContact O-CG 3.47Å; S135-Q139 PolarHBondContact O-N 2.97Å; S135-Q139 PolarHBondContact OG-NE2 2.97Å; Q139-A143 WeakPolarHBondContact O-CB 3.37Å; Q139-A143 PolarHBondContact O-N 2.87Å |
| 140 | T | 84.7 | Confident | 82.9 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -72 | -42.5 | -179.3 | -52 | 0 | 0 | 0 | 0 | 110.6 | I52 I136 K137 E138 E142 A143 L144 W158 F170 | I52-T140 HydrophobicContact CG2-CG2 4.1Å; I136-T140 WeakPolarHBondContact O-CB 3.44Å; I136-T140 PolarHBondContact O-N 3.42Å; I136-T140 PolarHBondContact O-OG1 2.87Å; K137-T140 PolarHBondContact O-N 3.25Å; E138-T140 PolarHBondContact O-N 2.84Å; T140-E142 VanDerWaalsContact C-N 3.34Å; T140-A143 PolarHBondContact O-N 3.09Å; T140-L144 HydrophobicContact CG2-CD1 4.01Å; T140-L144 WeakPolarHBondContact O-CB 3.3Å; T140-L144 WeakPolarHBondContact O-CD1 3.46Å; T140-L144 WeakPolarHBondContact O-CG 3.36Å; T140-L144 PolarHBondContact O-N 3.3Å; T140-W158 HydrophobicContact CG2-CE3 4.26Å; T140-W158 HydrophobicContact CG2-CH2 3.6Å; T140-W158 HydrophobicContact CG2-CZ3 3.39Å; T140-F170 HydrophobicContact CG2-CD2 3.57Å; T140-F170 HydrophobicContact CG2-CE2 4.08Å |
| 141 | E | 88.5 | Confident | 83.5 | Confident | 48 Ų | 48 | 66.6 Ų | 66.6 | 22% | 0.224 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 175.6 | -71.1 | -172.6 | 157.2 | 0 | 0 | 111 | K137 E138 L144 I145 F170 S171 I175 | K137-E141 WeakPolarHBondContact CE-OE1 3.18Å; K137-E141 WeakPolarHBondContact CE-OE2 3.38Å; K137-E141 HydrophobicContact CG-CG 4.43Å; K137-E141 VanDerWaalsContact O-CB 3.31Å; K137-E141 WeakPolarHBondContact O-CB 3.48Å; K137-E141 VanDerWaalsContact O-CG 3.27Å; K137-E141 WeakPolarHBondContact O-CG 3.11Å; K137-E141 PolarHBondContact O-N 3.45Å; E138-E141 PolarHBondContact O-N 3.14Å; E141-L144 WeakPolarHBondContact O-CB 3.37Å; E141-L144 PolarHBondContact O-N 2.99Å; E141-I145 WeakPolarHBondContact O-CD1 3.37Å; E141-I145 VanDerWaalsContact O-CG1 3.26Å; E141-I145 WeakPolarHBondContact O-CG1 3.4Å; E141-I145 PolarHBondContact O-N 3.45Å; E141-F170 HydrophobicContact CG-CB 3.79Å; E141-F170 HydrophobicContact CG-CD1 3.75Å; E141-F170 HydrophobicContact CG-CG 3.82Å; E141-F170 WeakPolarHBondContact OE1-CD1 3.35Å; E141-S171 PolarHBondContact OE1-OG 3.38Å; E141-I175 HydrophobicContact CB-CD1 3.69Å; E141-I175 HydrophobicContact CG-CD1 3.56Å |
| 142 | E | 87.6 | Confident | 84.1 | Confident | 127 Ų | 127 | 63.8 Ų | 63.8 | 59% | 0.593 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.9 | -42.9 | 175.5 | -172.2 | 173.8 | -167 | 0 | 0 | 112.5 | E138 T140 L144 I145 S146 | E138-E142 VanDerWaalsContact O-CB 3.29Å; E138-E142 WeakPolarHBondContact O-CB 3.2Å; E138-E142 PolarHBondContact O-N 3.32Å; T140-E142 VanDerWaalsContact C-N 3.34Å; E142-L144 VanDerWaalsContact C-N 3.34Å; E142-L144 PolarHBondContact O-N 3.28Å; E142-I145 PolarHBondContact O-N 3.23Å; E142-S146 VanDerWaalsContact O-CB 3.32Å; E142-S146 WeakPolarHBondContact O-CB 3.3Å; E142-S146 PolarHBondContact O-N 3.02Å; E142-S146 PolarHBondContact O-OG 3.37Å |
| 143 | A | 87.1 | Confident | 84.7 | Confident | 15 Ų | 15 | 66.1 Ų | 66.1 | 12% | 0.124 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q139 T140 I145 S146 L147 Y148 F154 | Q139-A143 WeakPolarHBondContact O-CB 3.37Å; Q139-A143 PolarHBondContact O-N 2.87Å; T140-A143 PolarHBondContact O-N 3.09Å; A143-I145 VanDerWaalsContact C-N 3.33Å; A143-I145 PolarHBondContact O-N 3.43Å; A143-S146 PolarHBondContact O-N 2.75Å; A143-L147 HydrophobicContact CB-CD1 4.05Å; A143-L147 WeakPolarHBondContact O-CA 2.93Å; A143-L147 VanDerWaalsContact O-CB 3.31Å; A143-L147 WeakPolarHBondContact O-CB 3.35Å; A143-L147 PolarHBondContact O-N 2.88Å; A143-Y148 PolarHBondContact O-N 2.94Å; A143-F154 HydrophobicContact CB-CE1 4.31Å; A143-F154 HydrophobicContact CB-CE2 3.74Å; A143-F154 HydrophobicContact CB-CZ 3.58Å |
| 144 | L | 89.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 173.5 | -88 | 156.7 | 0 | 0 | 0 | 112.7 | T140 E141 E142 Y148 F154 W158 F170 I175 Y176 | T140-L144 HydrophobicContact CG2-CD1 4.01Å; T140-L144 WeakPolarHBondContact O-CB 3.3Å; T140-L144 WeakPolarHBondContact O-CD1 3.46Å; T140-L144 WeakPolarHBondContact O-CG 3.36Å; T140-L144 PolarHBondContact O-N 3.3Å; E141-L144 WeakPolarHBondContact O-CB 3.37Å; E141-L144 PolarHBondContact O-N 2.99Å; E142-L144 VanDerWaalsContact C-N 3.34Å; E142-L144 PolarHBondContact O-N 3.28Å; L144-Y148 HydrophobicContact CD2-CD2 4.32Å; L144-Y148 HydrophobicContact CD2-CG 4.49Å; L144-Y148 VanDerWaalsContact O-CB 3.24Å; L144-Y148 WeakPolarHBondContact O-CB 3.14Å; L144-F154 HydrophobicContact CG-CZ 4.46Å; L144-W158 HydrophobicContact CD1-CH2 3.95Å; L144-W158 HydrophobicContact CD1-CZ2 3.56Å; L144-W158 HydrophobicContact CD2-CD2 4.08Å; L144-W158 HydrophobicContact CD2-CG 4.14Å; L144-W158 HydrophobicContact CD2-CZ2 4.21Å; L144-W158 VanDerWaalsContact CD2-NE1 3.31Å; L144-W158 HydrophobicContact CG-CD2 4.45Å; L144-W158 HydrophobicContact CG-CZ2 4.31Å; L144-F170 HydrophobicContact CD1-CB 3.83Å; L144-I175 HydrophobicContact CB-CD1 4.16Å; L144-I175 HydrophobicContact CB-CG1 4.5Å; L144-I175 HydrophobicContact CD1-CD1 4.13Å; L144-Y176 HydrophobicContact CD2-CE1 3.98Å |
| 145 | I | 91 | Very high | 86.4 | Confident | 60 Ų | 60 | 54.3 Ų | 54.3 | 31% | 0.308 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -71.4 | -37.7 | -179.7 | -70.9 | 166.2 | 0 | 0 | 0 | 111 | E141 E142 A143 I175 K180 | E141-I145 WeakPolarHBondContact O-CD1 3.37Å; E141-I145 VanDerWaalsContact O-CG1 3.26Å; E141-I145 WeakPolarHBondContact O-CG1 3.4Å; E141-I145 PolarHBondContact O-N 3.45Å; E142-I145 PolarHBondContact O-N 3.23Å; A143-I145 VanDerWaalsContact C-N 3.33Å; A143-I145 PolarHBondContact O-N 3.43Å; I145-I175 HydrophobicContact CD1-CG1 4.43Å; I145-I175 HydrophobicContact CG1-CG1 4.12Å; I145-K180 PolarHBondContact O-N 3.14Å |
| 146 | S | 90.6 | Very high | 87 | Confident | 33 Ų | 33 | 56 Ų | 56 | 23% | 0.231 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -105.7 | -32.3 | -165.6 | 64.8 | 0 | 0 | 0 | 0 | 115.8 | E142 A143 | E142-S146 VanDerWaalsContact O-CB 3.32Å; E142-S146 WeakPolarHBondContact O-CB 3.3Å; E142-S146 PolarHBondContact O-N 3.02Å; E142-S146 PolarHBondContact O-OG 3.37Å; A143-S146 PolarHBondContact O-N 2.75Å |
| 147 | L | 89.1 | Confident | 87.3 | Confident | 76 Ų | 76 | 55.8 Ų | 55.8 | 40% | 0.398 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -29.9 | -171.3 | -59.1 | 175.1 | 0 | 0 | 0 | 113.3 | A143 G149 F150 E151 F154 | A143-L147 HydrophobicContact CB-CD1 4.05Å; A143-L147 WeakPolarHBondContact O-CA 2.93Å; A143-L147 VanDerWaalsContact O-CB 3.31Å; A143-L147 WeakPolarHBondContact O-CB 3.35Å; A143-L147 PolarHBondContact O-N 2.88Å; L147-G149 PolarHBondContact O-N 3.38Å; L147-F150 PolarHBondContact O-N 3.05Å; L147-E151 HydrophobicContact CB-CB 4.37Å; L147-E151 PolarHBondContact O-N 3.42Å; L147-F154 HydrophobicContact CB-CD1 4.22Å |
| 148 | Y | 89.5 | Confident | 87.6 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 129 | -179.9 | -172.8 | -92.2 | 0 | 0 | 0 | 110.8 | A143 L144 F150 F154 T155 W158 D159 Y176 W181 P196 | A143-Y148 PolarHBondContact O-N 2.94Å; L144-Y148 HydrophobicContact CD2-CD2 4.32Å; L144-Y148 HydrophobicContact CD2-CG 4.49Å; L144-Y148 VanDerWaalsContact O-CB 3.24Å; L144-Y148 WeakPolarHBondContact O-CB 3.14Å; Y148-F150 VanDerWaalsContact C-N 3.26Å; Y148-F150 WeakPolarHBondContact O-CD2 2.91Å; Y148-F150 PolarHBondContact O-N 3.38Å; Y148-F154 HydrophobicContact CD2-CE1 4.31Å; Y148-T155 HydrophobicContact CD2-CG2 4.19Å; Y148-T155 HydrophobicContact CE1-CG2 4.46Å; Y148-T155 HydrophobicContact CE2-CG2 3.73Å; Y148-W158 HydrophobicContact CD2-CB 4.33Å; Y148-W158 AromaticContact CD2-CD1 3.98Å; Y148-W158 HydrophobicContact CD2-CG 4.38Å; Y148-W158 HydrophobicContact CE2-CB 4.29Å; Y148-W158 AromaticContact CE2-CD1 3.82Å; Y148-W158 HydrophobicContact CE2-CG 4.41Å; Y148-D159 WeakPolarHBondContact CE2-OD1 3.48Å; Y148-D159 PolarHBondContact OH-OD1 2.89Å; Y148-D159 PolarHBondContact OH-OD2 2.87Å; Y148-Y176 HydrophobicContact CD1-CD1 4.36Å; Y148-Y176 AromaticContact CD1-CE1 3.86Å; Y148-Y176 HydrophobicContact CD1-CE1 3.86Å; Y148-Y176 HydrophobicContact CE1-CD1 4.5Å; Y148-Y176 AromaticContact CE1-CE1 3.9Å; Y148-Y176 HydrophobicContact CE1-CE1 3.9Å; Y148-Y176 HydrophobicContact CG-CE1 4.2Å; Y148-W181 HydrophobicContact CD1-CB 3.91Å; Y148-W181 HydrophobicContact CD1-CD2 4.12Å; Y148-W181 AromaticContact CD1-CG 3.76Å; Y148-W181 HydrophobicContact CD1-CG 3.76Å; Y148-W181 AromaticContact CE1-CD2 3.92Å; Y148-W181 HydrophobicContact CE1-CD2 3.92Å; Y148-W181 HydrophobicContact CE1-CE3 4.5Å; Y148-W181 AromaticContact CE1-CG 3.95Å; Y148-W181 HydrophobicContact CE1-CG 3.95Å; Y148-W181 WeakPolarHBondContact O-CB 3.4Å; Y148-P196 HydrophobicContact CE1-CB 4.24Å; Y148-P196 HydrophobicContact CE1-CG 3.46Å; Y148-P196 VanDerWaalsContact CE1-CG 3.46Å; Y148-P196 VanDerWaalsContact CZ-CG 3.45Å; Y148-P196 WeakPolarHBondContact OH-CB 3.42Å; Y148-P196 WeakPolarHBondContact OH-CG 3.4Å |
| 149 | G | 87.8 | Confident | 88 | Confident | 38 Ų | 38 | 47.4 Ų | 47.4 | 39% | 0.392 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -10.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | L147 T155 | L147-G149 PolarHBondContact O-N 3.38Å; G149-T155 PolarHBondContact N-OG1 3.49Å |
| 150 | F | 90.8 | Very high | 88.3 | Confident | 111 Ų | 111 | 47.4 Ų | 47.4 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -32.8 | 178.9 | -62 | -83.8 | 0 | 0 | 0 | 112.1 | L147 Y148 K180 | L147-F150 PolarHBondContact O-N 3.05Å; Y148-F150 VanDerWaalsContact C-N 3.26Å; Y148-F150 WeakPolarHBondContact O-CD2 2.91Å; Y148-F150 PolarHBondContact O-N 3.38Å; F150-K180 HydrophobicContact CD2-CB 4.4Å; F150-K180 HydrophobicContact CE2-CB 3.51Å; F150-K180 HydrophobicContact CZ-CB 4.07Å |
| 151 | E | 88.2 | Confident | 88.4 | Confident | 85 Ų | 85 | 48.4 Ų | 48.4 | 40% | 0.397 | 27% | 0.266 | S | S | . | . | trans | -103.2 | 108.9 | 173.3 | -169.8 | 59.9 | -124.3 | 0 | 0 | 109.2 | L147 D153 F154 T155 | L147-E151 HydrophobicContact CB-CB 4.37Å; L147-E151 PolarHBondContact O-N 3.42Å; E151-D153 VanDerWaalsContact C-N 3.34Å; E151-D153 PolarHBondContact O-N 2.81Å; E151-F154 HydrophobicContact CB-CB 4.09Å; E151-F154 HydrophobicContact CG-CB 4.12Å; E151-F154 PolarHBondContact O-N 3.13Å; E151-T155 WeakPolarHBondContact O-CB 3.45Å; E151-T155 PolarHBondContact O-N 3.43Å; E151-T155 PolarHBondContact O-OG1 2.82Å | ||
| 152 | P | 87.1 | Confident | 88.5 | Confident | 86 Ų | 86 | 46.1 Ų | 46.1 | 56% | 0.558 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.9 | -37.1 | -172.7 | 24.3 | -33.6 | 0 | 0 | 0 | 112.6 | T155 S156 | P152-T155 PolarHBondContact O-N 3.13Å; P152-S156 WeakPolarHBondContact O-CB 2.98Å; P152-S156 PolarHBondContact O-N 2.99Å |
| 153 | D | 83.7 | Confident | 88.6 | Confident | 67 Ų | 67 | 43 Ų | 43 | 36% | 0.358 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.6 | -47 | 178.9 | -78 | -0.9 | 0 | 0 | 0 | 110.6 | R47 E151 A157 | R47-D153 IonicContact CZ-OD2 2.69Å; R47-D153 IonicContact NE-OD2 2.56Å; R47-D153 IonicContact NH2-OD2 3.6Å; R47-D153 PolarHBondContact NH2-OD2 3.47Å; E151-D153 VanDerWaalsContact C-N 3.34Å; E151-D153 PolarHBondContact O-N 2.81Å; D153-A157 VanDerWaalsContact O-CB 3.22Å; D153-A157 WeakPolarHBondContact O-CB 3.22Å; D153-A157 PolarHBondContact O-N 2.84Å; D153-A157 VanDerWaalsContact O-N 3.08Å |
| 154 | F | 85.5 | Confident | 88.6 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 176.6 | 178.9 | -95.5 | 0 | 0 | 0 | 112.1 | I52 A143 L144 L147 Y148 E151 A157 W158 | I52-F154 HydrophobicContact CG1-CE2 4.22Å; A143-F154 HydrophobicContact CB-CE1 4.31Å; A143-F154 HydrophobicContact CB-CE2 3.74Å; A143-F154 HydrophobicContact CB-CZ 3.58Å; L144-F154 HydrophobicContact CG-CZ 4.46Å; L147-F154 HydrophobicContact CB-CD1 4.22Å; Y148-F154 HydrophobicContact CD2-CE1 4.31Å; E151-F154 HydrophobicContact CB-CB 4.09Å; E151-F154 HydrophobicContact CG-CB 4.12Å; E151-F154 PolarHBondContact O-N 3.13Å; F154-A157 WeakPolarHBondContact O-CB 3.25Å; F154-A157 PolarHBondContact O-N 3.33Å; F154-W158 HydrophobicContact CE1-CB 4.5Å; F154-W158 WeakPolarHBondContact O-CB 3.31Å; F154-W158 PolarHBondContact O-N 2.95Å |
| 155 | T | 89.5 | Confident | 88.5 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 13% | 0.129 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.5 | -49.3 | -178.6 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | Y148 G149 E151 P152 A157 W158 D159 | Y148-T155 HydrophobicContact CD2-CG2 4.19Å; Y148-T155 HydrophobicContact CE1-CG2 4.46Å; Y148-T155 HydrophobicContact CE2-CG2 3.73Å; G149-T155 PolarHBondContact N-OG1 3.49Å; E151-T155 WeakPolarHBondContact O-CB 3.45Å; E151-T155 PolarHBondContact O-N 3.43Å; E151-T155 PolarHBondContact O-OG1 2.82Å; P152-T155 PolarHBondContact O-N 3.13Å; T155-A157 VanDerWaalsContact C-N 3.3Å; T155-A157 PolarHBondContact O-N 2.96Å; T155-W158 PolarHBondContact O-N 3.43Å; T155-D159 WeakPolarHBondContact O-CB 3.18Å; T155-D159 VanDerWaalsContact O-CG 3.26Å; T155-D159 PolarHBondContact O-N 3.29Å |
| 156 | S | 89.1 | Confident | 88.4 | Confident | 77 Ų | 77 | 53 Ų | 53 | 54% | 0.538 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 177.1 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | P152 H160 | P152-S156 WeakPolarHBondContact O-CB 2.98Å; P152-S156 PolarHBondContact O-N 2.99Å; S156-H160 WeakPolarHBondContact O-CB 3.32Å; S156-H160 PolarHBondContact O-N 3.22Å; S156-H160 VanDerWaalsContact O-N 3.08Å |
| 157 | A | 85.2 | Confident | 88.4 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I48 D153 F154 T155 H160 L161 | I48-A157 HydrophobicContact CB-CB 3.88Å; I48-A157 HydrophobicContact CG1-CB 3.93Å; I48-A157 HydrophobicContact CG2-CB 3.5Å; I48-A157 VanDerWaalsContact CG2-CB 3.5Å; D153-A157 VanDerWaalsContact O-CB 3.22Å; D153-A157 WeakPolarHBondContact O-CB 3.22Å; D153-A157 PolarHBondContact O-N 2.84Å; D153-A157 VanDerWaalsContact O-N 3.08Å; F154-A157 WeakPolarHBondContact O-CB 3.25Å; F154-A157 PolarHBondContact O-N 3.33Å; T155-A157 VanDerWaalsContact C-N 3.3Å; T155-A157 PolarHBondContact O-N 2.96Å; A157-H160 PolarHBondContact O-N 3.17Å; A157-L161 PolarHBondContact O-N 3.21Å; A157-L161 VanDerWaalsContact O-N 3.13Å |
| 158 | W | 90.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.4 | -42.7 | -179.4 | -167.5 | -99 | 0 | 0 | 0 | 111.7 | I52 T140 L144 Y148 F154 T155 H160 L161 Q162 F170 Y176 C231 | I52-W158 HydrophobicContact CD1-CE3 3.76Å; I52-W158 HydrophobicContact CD1-CZ3 4.13Å; I52-W158 HydrophobicContact CG1-CE3 4.21Å; I52-W158 HydrophobicContact CG2-CZ3 4.15Å; T140-W158 HydrophobicContact CG2-CE3 4.26Å; T140-W158 HydrophobicContact CG2-CH2 3.6Å; T140-W158 HydrophobicContact CG2-CZ3 3.39Å; L144-W158 HydrophobicContact CD1-CH2 3.95Å; L144-W158 HydrophobicContact CD1-CZ2 3.56Å; L144-W158 HydrophobicContact CD2-CD2 4.08Å; L144-W158 HydrophobicContact CD2-CG 4.14Å; L144-W158 HydrophobicContact CD2-CZ2 4.21Å; L144-W158 VanDerWaalsContact CD2-NE1 3.31Å; L144-W158 HydrophobicContact CG-CD2 4.45Å; L144-W158 HydrophobicContact CG-CZ2 4.31Å; Y148-W158 HydrophobicContact CD2-CB 4.33Å; Y148-W158 AromaticContact CD2-CD1 3.98Å; Y148-W158 HydrophobicContact CD2-CG 4.38Å; Y148-W158 HydrophobicContact CE2-CB 4.29Å; Y148-W158 AromaticContact CE2-CD1 3.82Å; Y148-W158 HydrophobicContact CE2-CG 4.41Å; F154-W158 HydrophobicContact CE1-CB 4.5Å; F154-W158 WeakPolarHBondContact O-CB 3.31Å; F154-W158 PolarHBondContact O-N 2.95Å; T155-W158 PolarHBondContact O-N 3.43Å; W158-H160 VanDerWaalsContact C-N 3.3Å; W158-H160 PolarHBondContact O-N 3.41Å; W158-L161 HydrophobicContact CE3-CD2 4Å; W158-L161 HydrophobicContact CH2-CD2 4.08Å; W158-L161 HydrophobicContact CZ3-CD2 3.72Å; W158-L161 WeakPolarHBondContact O-CB 3.32Å; W158-L161 PolarHBondContact O-N 2.66Å; W158-L161 VanDerWaalsContact O-N 3.13Å; W158-Q162 VanDerWaalsContact CD1-CD 3.42Å; W158-Q162 VanDerWaalsContact NE1-OE1 3.08Å; W158-Q162 VanDerWaalsContact O-CG 3.27Å; W158-Q162 WeakPolarHBondContact O-CG 3.31Å; W158-Q162 PolarHBondContact O-N 3.12Å; W158-F170 HydrophobicContact CH2-CD2 4.26Å; W158-Y176 PolarHBondContact NE1-OH 2.93Å; W158-C231 HydrophobicContact CH2-CB 4.2Å; W158-C231 HydrophobicContact CZ2-CB 4.12Å |
| 159 | D | 91.2 | Very high | 88.6 | Confident | 42 Ų | 42 | 47.6 Ų | 47.6 | 23% | 0.225 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.6 | -38 | 176.2 | -73.6 | -21.6 | 0 | 0 | 0 | 112.6 | Y148 T155 Q162 S163 S198 | Y148-D159 WeakPolarHBondContact CE2-OD1 3.48Å; Y148-D159 PolarHBondContact OH-OD1 2.89Å; Y148-D159 PolarHBondContact OH-OD2 2.87Å; T155-D159 WeakPolarHBondContact O-CB 3.18Å; T155-D159 VanDerWaalsContact O-CG 3.26Å; T155-D159 PolarHBondContact O-N 3.29Å; D159-Q162 PolarHBondContact O-N 2.87Å; D159-S163 WeakPolarHBondContact O-CB 3.24Å; D159-S163 PolarHBondContact O-N 3.2Å; D159-S163 PolarHBondContact O-OG 3.38Å; D159-S198 WeakPolarHBondContact OD1-CB 3.28Å; D159-S198 PolarHBondContact OD1-OG 2.92Å |
| 160 | H | 88.5 | Confident | 88.7 | Confident | 98 Ų | 98 | 45.9 Ų | 45.9 | 45% | 0.454 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 174.3 | -170.2 | 59.3 | 0 | 0 | 0 | 111.3 | S156 A157 W158 Q162 S163 Q164 | S156-H160 WeakPolarHBondContact O-CB 3.32Å; S156-H160 PolarHBondContact O-N 3.22Å; S156-H160 VanDerWaalsContact O-N 3.08Å; A157-H160 PolarHBondContact O-N 3.17Å; W158-H160 VanDerWaalsContact C-N 3.3Å; W158-H160 PolarHBondContact O-N 3.41Å; H160-Q162 PolarHBondContact O-N 3.07Å; H160-S163 PolarHBondContact O-OG 3.17Å; H160-S163 VanDerWaalsContact O-OG 3.09Å; H160-Q164 WeakPolarHBondContact O-CB 3.32Å; H160-Q164 PolarHBondContact O-N 2.92Å |
| 161 | L | 87.3 | Confident | 88.6 | Confident | 21 Ų | 21 | 43.4 Ų | 43.4 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59 | -47.8 | 175.9 | -175.1 | 70.8 | 0 | 0 | 0 | 111.2 | I52 A157 W158 Q164 S165 C231 F234 L235 | I52-L161 HydrophobicContact CD1-CD2 4.4Å; A157-L161 PolarHBondContact O-N 3.21Å; A157-L161 VanDerWaalsContact O-N 3.13Å; W158-L161 HydrophobicContact CE3-CD2 4Å; W158-L161 HydrophobicContact CH2-CD2 4.08Å; W158-L161 HydrophobicContact CZ3-CD2 3.72Å; W158-L161 WeakPolarHBondContact O-CB 3.32Å; W158-L161 PolarHBondContact O-N 2.66Å; W158-L161 VanDerWaalsContact O-N 3.13Å; L161-Q164 PolarHBondContact O-N 3.13Å; L161-S165 WeakPolarHBondContact O-CB 3.4Å; L161-S165 PolarHBondContact O-N 3.14Å; L161-S165 PolarHBondContact O-OG 3.22Å; L161-C231 HydrophobicContact CD2-CB 4.35Å; L161-F234 HydrophobicContact CD1-CD1 3.65Å; L161-F234 HydrophobicContact CD1-CE1 3.58Å; L161-L235 HydrophobicContact CD2-CD1 4.28Å |
| 162 | Q | 91 | Very high | 88.6 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.7 | -47.6 | -177.6 | -70.7 | -174.6 | -86.3 | 0 | 0 | 112.9 | W158 D159 H160 E166 C167 G169 Y176 S198 C199 | W158-Q162 VanDerWaalsContact CD1-CD 3.42Å; W158-Q162 VanDerWaalsContact NE1-OE1 3.08Å; W158-Q162 VanDerWaalsContact O-CG 3.27Å; W158-Q162 WeakPolarHBondContact O-CG 3.31Å; W158-Q162 PolarHBondContact O-N 3.12Å; D159-Q162 PolarHBondContact O-N 2.87Å; H160-Q162 PolarHBondContact O-N 3.07Å; Q162-E166 WeakPolarHBondContact O-CA 3.41Å; Q162-E166 PolarHBondContact O-N 2.77Å; Q162-C167 WeakPolarHBondContact CB-O 3.24Å; Q162-C167 PolarHBondContact O-N 2.76Å; Q162-C167 VanDerWaalsContact O-N 3.13Å; Q162-G169 VanDerWaalsContact NE2-N 3.17Å; Q162-Y176 VanDerWaalsContact CD-OH 3.27Å; Q162-Y176 PolarHBondContact NE2-OH 2.83Å; Q162-Y176 PolarHBondContact OE1-OH 2.84Å; Q162-S198 PolarHBondContact OE1-OG 2.72Å; Q162-C199 PolarHBondContact NE2-SG 2.98Å |
| 163 | S | 88.1 | Confident | 88.7 | Confident | 63 Ų | 63 | 35.7 Ų | 35.7 | 44% | 0.441 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.9 | -40 | 178.7 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | D159 H160 | D159-S163 WeakPolarHBondContact O-CB 3.24Å; D159-S163 PolarHBondContact O-N 3.2Å; D159-S163 PolarHBondContact O-OG 3.38Å; H160-S163 PolarHBondContact O-OG 3.17Å; H160-S163 VanDerWaalsContact O-OG 3.09Å |
| 164 | Q | 87.8 | Confident | 88.9 | Confident | 128 Ų | 128 | 38.1 Ų | 38.1 | 60% | 0.598 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -71.4 | -35.5 | -179.1 | -174.9 | -178.8 | 3.4 | 0 | 0 | 112.8 | H160 L161 | H160-Q164 WeakPolarHBondContact O-CB 3.32Å; H160-Q164 PolarHBondContact O-N 2.92Å; L161-Q164 PolarHBondContact O-N 3.13Å |
| 165 | S | 86.9 | Confident | 89 | Confident | 25 Ų | 25 | 38.7 Ų | 38.7 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -105.1 | 10.1 | -176 | 62.6 | 0 | 0 | 0 | 0 | 114.3 | L161 C167 | L161-S165 WeakPolarHBondContact O-CB 3.4Å; L161-S165 PolarHBondContact O-N 3.14Å; L161-S165 PolarHBondContact O-OG 3.22Å; S165-C167 VanDerWaalsContact C-N 3.27Å; S165-C167 PolarHBondContact O-N 2.94Å; S165-C167 PolarHBondContact OG-SG 2.99Å |
| 166 | E | 89.4 | Confident | 88.9 | Confident | 130 Ų | 130 | 37.8 Ų | 37.8 | 61% | 0.607 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 47.8 | 175.6 | -63.3 | -176.4 | 171 | 0 | 0 | 112.3 | Q162 F227 | Q162-E166 WeakPolarHBondContact O-CA 3.41Å; Q162-E166 PolarHBondContact O-N 2.77Å; E166-F227 HydrophobicContact CB-CD1 3.93Å; E166-F227 HydrophobicContact CB-CE1 3.51Å; E166-F227 HydrophobicContact CB-CE2 4.34Å; E166-F227 HydrophobicContact CB-CG 4.5Å; E166-F227 HydrophobicContact CB-CZ 3.75Å; E166-F227 HydrophobicContact CG-CE1 3.89Å; E166-F227 HydrophobicContact CG-CZ 3.81Å; E166-F227 WeakPolarHBondContact O-CD1 3.03Å; E166-F227 WeakPolarHBondContact O-CG 3.1Å |
| 167 | C | 91 | Very high | 88.7 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | trans | -132.5 | 158.5 | -174.9 | 67 | 0 | 0 | 0 | 0 | 111.8 | Q162 S165 K229 C231 | Q162-C167 WeakPolarHBondContact CB-O 3.24Å; Q162-C167 PolarHBondContact O-N 2.76Å; Q162-C167 VanDerWaalsContact O-N 3.13Å; S165-C167 VanDerWaalsContact C-N 3.27Å; S165-C167 PolarHBondContact O-N 2.94Å; S165-C167 PolarHBondContact OG-SG 2.99Å; C167-K229 CarbonylContact C-O 3.5Å; C167-K229 VanDerWaalsContact CA-O 3.25Å; C167-K229 WeakPolarHBondContact CA-O 3.5Å; C167-K229 WeakPolarHBondContact CB-O 3.16Å; C167-C231 VanDerWaalsContact C-SG 3.55Å; C167-C231 HydrophobicContact CB-CB 3.94Å; C167-C231 WeakPolarHBondContact CB-SG 3.37Å; C167-C231 WeakPolarHBondContact SG-CA 3.35Å; C167-C231 WeakPolarHBondContact SG-CB 3.31Å; C167-C231 CovalentContact SG-SG 2.02Å; C167-C231 PolarHBondContact SG-SG 3Å | ||
| 168 | C | 91.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -131.3 | 126.6 | 177.7 | -167.7 | 0 | 0 | 0 | 0 | 112.6 | G172 P173 C199 T226 F227 K229 | C168-G172 CarbonylContact O-C 2.99Å; C168-G172 WeakPolarHBondContact O-CA 3.37Å; C168-P173 HydrophobicContact CB-CB 4.15Å; C168-C199 VanDerWaalsContact CA-SG 3.56Å; C168-C199 HydrophobicContact CB-CB 3.66Å; C168-C199 WeakPolarHBondContact CB-SG 3.1Å; C168-C199 WeakPolarHBondContact SG-CB 3.33Å; C168-C199 CovalentContact SG-SG 2.03Å; C168-C199 PolarHBondContact SG-SG 2.91Å; C168-T226 HydrophobicContact CB-CG2 4.48Å; C168-F227 HydrophobicContact CB-CB 4.09Å; C168-F227 WeakPolarHBondContact CB-O 3.4Å; C168-K229 PolarHBondContact N-O 3.38Å | ||
| 169 | G | 91 | Very high | 88.6 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 62.8 | -176.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q162 C231 | Q162-G169 VanDerWaalsContact NE2-N 3.17Å; G169-C231 WeakPolarHBondContact O-CB 3.31Å; G169-C231 PolarHBondContact O-N 3.47Å; G169-C231 PolarHBondContact O-SG 2.88Å |
| 170 | F | 90.2 | Very high | 88.5 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -75.3 | -66.1 | -178.9 | -171.8 | -92.3 | 0 | 0 | 0 | 111.5 | I136 K137 T140 E141 L144 W158 I175 G230 C231 A232 L235 Y236 | I136-F170 HydrophobicContact CG2-CE2 4.23Å; K137-F170 VanDerWaalsContact CA-CZ 3.5Å; K137-F170 HydrophobicContact CB-CE1 3.77Å; K137-F170 HydrophobicContact CB-CZ 3.83Å; K137-F170 HydrophobicContact CD-CE1 4.12Å; K137-F170 HydrophobicContact CG-CD1 4.16Å; K137-F170 HydrophobicContact CG-CE1 3.52Å; K137-F170 HydrophobicContact CG-CZ 4.11Å; T140-F170 HydrophobicContact CG2-CD2 3.57Å; T140-F170 HydrophobicContact CG2-CE2 4.08Å; E141-F170 HydrophobicContact CG-CB 3.79Å; E141-F170 HydrophobicContact CG-CD1 3.75Å; E141-F170 HydrophobicContact CG-CG 3.82Å; E141-F170 WeakPolarHBondContact OE1-CD1 3.35Å; L144-F170 HydrophobicContact CD1-CB 3.83Å; W158-F170 HydrophobicContact CH2-CD2 4.26Å; F170-I175 HydrophobicContact CB-CD1 4.32Å; F170-G230 CarbonylContact O-C 3.07Å; F170-G230 VanDerWaalsContact O-C 3.3Å; F170-G230 VanDerWaalsContact O-CA 3.23Å; F170-G230 WeakPolarHBondContact O-CA 3.17Å; F170-C231 PolarHBondContact O-N 2.69Å; F170-C231 VanDerWaalsContact O-N 3.13Å; F170-A232 HydrophobicContact CD1-CB 3.9Å; F170-A232 HydrophobicContact CD2-CB 4.41Å; F170-A232 HydrophobicContact CE1-CB 3.58Å; F170-A232 HydrophobicContact CE2-CB 4.17Å; F170-A232 HydrophobicContact CG-CB 4.3Å; F170-A232 HydrophobicContact CZ-CB 3.73Å; F170-A232 VanDerWaalsContact O-CB 3.25Å; F170-A232 WeakPolarHBondContact O-CB 3.39Å; F170-A232 PolarHBondContact O-N 2.93Å; F170-L235 HydrophobicContact CE2-CD2 3.9Å; F170-Y236 HydrophobicContact CZ-CE1 4.42Å; F170-Y236 HydrophobicContact CZ-CE2 4.49Å; F170-Y236 AromaticContact CZ-CZ 3.89Å; F170-Y236 WeakPolarHBondContact CZ-OH 3.28Å |
| 171 | S | 88.7 | Confident | 88.5 | Confident | 60 Ų | 60 | 40.1 Ų | 40.1 | 42% | 0.42 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -89.8 | -5.2 | 176.4 | -61.1 | 0 | 0 | 0 | 0 | 112.9 | E141 Q174 | E141-S171 PolarHBondContact OE1-OG 3.38Å; S171-Q174 PolarHBondContact O-NE2 2.76Å |
| 172 | G | 88.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 145.6 | 174.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C168 Q174 I175 | C168-G172 CarbonylContact O-C 2.99Å; C168-G172 WeakPolarHBondContact O-CA 3.37Å; G172-Q174 VanDerWaalsContact CA-OE1 3.31Å; G172-Q174 PolarHBondContact O-N 2.85Å; G172-I175 PolarHBondContact O-N 3.27Å |
| 173 | P | 88.1 | Confident | 88 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -63.2 | -22.8 | -174.5 | 23.6 | -33.9 | 0 | 0 | 0 | 114.1 | C168 I175 Y176 V195 T226 | C168-P173 HydrophobicContact CB-CB 4.15Å; P173-I175 PolarHBondContact O-N 2.94Å; P173-Y176 WeakPolarHBondContact O-CD2 3.33Å; P173-Y176 PolarHBondContact O-N 2.79Å; P173-V195 HydrophobicContact CB-CG1 3.74Å; P173-T226 HydrophobicContact CB-CG2 4.13Å |
| 174 | Q | 88.2 | Confident | 87.7 | Confident | 117 Ų | 117 | 49.2 Ų | 49.2 | 55% | 0.547 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -58.4 | -22.2 | -177.9 | 63.7 | -82.3 | 9.7 | 0 | 0 | 114 | S171 G172 Y176 A177 | S171-Q174 PolarHBondContact O-NE2 2.76Å; G172-Q174 VanDerWaalsContact CA-OE1 3.31Å; G172-Q174 PolarHBondContact O-N 2.85Å; Q174-Y176 PolarHBondContact O-N 3.18Å; Q174-A177 WeakPolarHBondContact O-CB 3.22Å; Q174-A177 PolarHBondContact O-N 3.42Å |
| 175 | I | 87.9 | Confident | 87.3 | Confident | 16 Ų | 16 | 46 Ų | 46 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -62.6 | -30.5 | -179.4 | -163.2 | 157.8 | 0 | 0 | 0 | 112.8 | E141 L144 I145 F170 G172 P173 A177 S178 S179 | E141-I175 HydrophobicContact CB-CD1 3.69Å; E141-I175 HydrophobicContact CG-CD1 3.56Å; L144-I175 HydrophobicContact CB-CD1 4.16Å; L144-I175 HydrophobicContact CB-CG1 4.5Å; L144-I175 HydrophobicContact CD1-CD1 4.13Å; I145-I175 HydrophobicContact CD1-CG1 4.43Å; I145-I175 HydrophobicContact CG1-CG1 4.12Å; F170-I175 HydrophobicContact CB-CD1 4.32Å; G172-I175 PolarHBondContact O-N 3.27Å; P173-I175 PolarHBondContact O-N 2.94Å; I175-A177 PolarHBondContact O-N 2.93Å; I175-S178 PolarHBondContact O-N 3.26Å; I175-S178 PolarHBondContact O-OG 3.39Å; I175-S179 PolarHBondContact O-N 2.86Å |
| 176 | Y | 88.1 | Confident | 86.3 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -70.6 | -21.3 | 176.7 | -63.2 | -73.8 | 0 | 0 | 0 | 112.5 | L144 Y148 W158 Q162 P173 Q174 S178 S179 W181 K182 V195 P196 | L144-Y176 HydrophobicContact CD2-CE1 3.98Å; Y148-Y176 HydrophobicContact CD1-CD1 4.36Å; Y148-Y176 AromaticContact CD1-CE1 3.86Å; Y148-Y176 HydrophobicContact CD1-CE1 3.86Å; Y148-Y176 HydrophobicContact CE1-CD1 4.5Å; Y148-Y176 AromaticContact CE1-CE1 3.9Å; Y148-Y176 HydrophobicContact CE1-CE1 3.9Å; Y148-Y176 HydrophobicContact CG-CE1 4.2Å; W158-Y176 PolarHBondContact NE1-OH 2.93Å; Q162-Y176 VanDerWaalsContact CD-OH 3.27Å; Q162-Y176 PolarHBondContact NE2-OH 2.83Å; Q162-Y176 PolarHBondContact OE1-OH 2.84Å; P173-Y176 WeakPolarHBondContact O-CD2 3.33Å; P173-Y176 PolarHBondContact O-N 2.79Å; Q174-Y176 PolarHBondContact O-N 3.18Å; Y176-S178 PolarHBondContact O-N 3.08Å; Y176-S179 PolarHBondContact O-N 3.38Å; Y176-S179 PolarHBondContact O-OG 2.84Å; Y176-W181 HydrophobicContact CD1-CE3 4.32Å; Y176-K182 WeakPolarHBondContact O-CB 3.29Å; Y176-K182 WeakPolarHBondContact O-CD 3.48Å; Y176-V195 HydrophobicContact CD2-CG1 4.17Å; Y176-P196 HydrophobicContact CD1-CG 3.96Å; Y176-P196 HydrophobicContact CE1-CG 3.51Å; Y176-P196 HydrophobicContact CE2-CG 4.21Å; Y176-P196 HydrophobicContact CG-CG 4.47Å |
| 177 | A | 84.9 | Confident | 85 | Confident | 52 Ų | 52 | 49.4 Ų | 49.4 | 43% | 0.43 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -62.1 | -26.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q174 I175 K182 | Q174-A177 WeakPolarHBondContact O-CB 3.22Å; Q174-A177 PolarHBondContact O-N 3.42Å; I175-A177 PolarHBondContact O-N 2.93Å; A177-K182 WeakPolarHBondContact O-CD 3.48Å; A177-K182 PolarHBondContact O-NZ 3.32Å |
| 178 | S | 85.1 | Confident | 83.3 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 44% | 0.441 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -102.2 | -3.6 | 177.4 | 43 | 0 | 0 | 0 | 0 | 114.7 | I175 Y176 | I175-S178 PolarHBondContact O-N 3.26Å; I175-S178 PolarHBondContact O-OG 3.39Å; Y176-S178 PolarHBondContact O-N 3.08Å |
| 179 | S | 87.6 | Confident | 81.3 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.007 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -78.5 | 150.3 | -175.1 | 74 | 0 | 0 | 0 | 0 | 112.5 | I175 Y176 W181 K182 Y183 | I175-S179 PolarHBondContact O-N 2.86Å; Y176-S179 PolarHBondContact O-N 3.38Å; Y176-S179 PolarHBondContact O-OG 2.84Å; S179-W181 PolarHBondContact O-N 3.34Å; S179-K182 PolarHBondContact O-N 2.91Å; S179-K182 PolarHBondContact OG-N 3.38Å; S179-Y183 VanDerWaalsContact O-CD2 3.28Å; S179-Y183 WeakPolarHBondContact O-CD2 3.26Å |
| 180 | K | 89.3 | Confident | 79.2 | Confident | 120 Ų | 120 | 60.7 Ų | 60.7 | 52% | 0.522 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.2 | -34.1 | 172.4 | -71.1 | -176.3 | -175.5 | 173.7 | 0 | 111.8 | I145 F150 K182 Y183 S184 | I145-K180 PolarHBondContact O-N 3.14Å; F150-K180 HydrophobicContact CD2-CB 4.4Å; F150-K180 HydrophobicContact CE2-CB 3.51Å; F150-K180 HydrophobicContact CZ-CB 4.07Å; K180-K182 VanDerWaalsContact C-N 3.31Å; K180-K182 PolarHBondContact O-N 2.71Å; K180-Y183 PolarHBondContact O-N 2.94Å; K180-Y183 VanDerWaalsContact O-N 3.1Å; K180-S184 PolarHBondContact O-N 3.41Å |
| 181 | W | 88.4 | Confident | 77 | Confident | 32 Ų | 32 | 71.1 Ų | 71.1 | 12% | 0.121 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -55.4 | -44.9 | 179 | 173.8 | 76.9 | 0 | 0 | 0 | 112.1 | Y148 Y176 S179 Y183 S184 Q185 L194 P196 | Y148-W181 HydrophobicContact CD1-CB 3.91Å; Y148-W181 HydrophobicContact CD1-CD2 4.12Å; Y148-W181 AromaticContact CD1-CG 3.76Å; Y148-W181 HydrophobicContact CD1-CG 3.76Å; Y148-W181 AromaticContact CE1-CD2 3.92Å; Y148-W181 HydrophobicContact CE1-CD2 3.92Å; Y148-W181 HydrophobicContact CE1-CE3 4.5Å; Y148-W181 AromaticContact CE1-CG 3.95Å; Y148-W181 HydrophobicContact CE1-CG 3.95Å; Y148-W181 WeakPolarHBondContact O-CB 3.4Å; Y176-W181 HydrophobicContact CD1-CE3 4.32Å; S179-W181 PolarHBondContact O-N 3.34Å; W181-Y183 PolarHBondContact O-N 3.29Å; W181-S184 WeakPolarHBondContact CA-OG 3.34Å; W181-S184 PolarHBondContact O-N 3.26Å; W181-S184 PolarHBondContact O-OG 2.92Å; W181-Q185 HydrophobicContact CD2-CG 4.33Å; W181-Q185 VanDerWaalsContact CE2-NE2 3.3Å; W181-Q185 HydrophobicContact CH2-CG 4.36Å; W181-Q185 HydrophobicContact CZ2-CG 4.07Å; W181-Q185 PolarHBondContact O-N 3.13Å; W181-L194 HydrophobicContact CH2-CD2 4.36Å; W181-L194 HydrophobicContact CH2-CG 4.45Å; W181-L194 HydrophobicContact CZ3-CD2 4.31Å; W181-L194 HydrophobicContact CZ3-CG 4.48Å; W181-P196 HydrophobicContact CH2-CB 4.44Å; W181-P196 HydrophobicContact CH2-CG 4.11Å; W181-P196 HydrophobicContact CZ2-CG 4.4Å; W181-P196 HydrophobicContact CZ3-CG 4.22Å |
| 182 | K | 85.2 | Confident | 75.2 | Confident | 52 Ų | 52 | 74.7 Ų | 74.7 | 23% | 0.226 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -56.3 | -40.3 | 178.4 | 174.1 | -179.5 | 168.7 | -170.9 | 0 | 112.2 | Y176 A177 S179 K180 S184 Q185 S188 | Y176-K182 WeakPolarHBondContact O-CB 3.29Å; Y176-K182 WeakPolarHBondContact O-CD 3.48Å; A177-K182 WeakPolarHBondContact O-CD 3.48Å; A177-K182 PolarHBondContact O-NZ 3.32Å; S179-K182 PolarHBondContact O-N 2.91Å; S179-K182 PolarHBondContact OG-N 3.38Å; K180-K182 VanDerWaalsContact C-N 3.31Å; K180-K182 PolarHBondContact O-N 2.71Å; K182-S184 VanDerWaalsContact C-N 3.3Å; K182-S184 PolarHBondContact O-N 3.01Å; K182-Q185 PolarHBondContact O-N 3.08Å; K182-S188 WeakPolarHBondContact O-CB 3.48Å |
| 183 | Y | 81.7 | Confident | 73.6 | Confident | 161 Ų | 161 | 78.3 Ų | 78.3 | 63% | 0.631 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -74.3 | -20.5 | 179.2 | -62 | -73.2 | 0 | 0 | 0 | 113.3 | S179 K180 W181 Q185 | S179-Y183 VanDerWaalsContact O-CD2 3.28Å; S179-Y183 WeakPolarHBondContact O-CD2 3.26Å; K180-Y183 PolarHBondContact O-N 2.94Å; K180-Y183 VanDerWaalsContact O-N 3.1Å; W181-Y183 PolarHBondContact O-N 3.29Å; Y183-Q185 VanDerWaalsContact C-N 3.32Å |
| 184 | S | 82.4 | Confident | 72.9 | Confident | 61 Ų | 61 | 80.2 Ų | 80.2 | 43% | 0.427 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -80.2 | -9.9 | 172 | 63.2 | 0 | 0 | 0 | 0 | 114.1 | K180 W181 K182 | K180-S184 PolarHBondContact O-N 3.41Å; W181-S184 WeakPolarHBondContact CA-OG 3.34Å; W181-S184 PolarHBondContact O-N 3.26Å; W181-S184 PolarHBondContact O-OG 2.92Å; K182-S184 VanDerWaalsContact C-N 3.3Å; K182-S184 PolarHBondContact O-N 3.01Å |
| 185 | Q | 79.4 | Confident | 72.7 | Confident | 62 Ų | 62 | 75.2 Ų | 75.2 | 29% | 0.29 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -80.3 | 136.3 | -178.6 | -65.6 | -57 | -35.8 | 0 | 0 | 111.9 | W181 K182 Y183 N187 S188 L194 | W181-Q185 HydrophobicContact CD2-CG 4.33Å; W181-Q185 VanDerWaalsContact CE2-NE2 3.3Å; W181-Q185 HydrophobicContact CH2-CG 4.36Å; W181-Q185 HydrophobicContact CZ2-CG 4.07Å; W181-Q185 PolarHBondContact O-N 3.13Å; K182-Q185 PolarHBondContact O-N 3.08Å; Y183-Q185 VanDerWaalsContact C-N 3.32Å; Q185-N187 PolarHBondContact O-N 3.46Å; Q185-S188 PolarHBondContact O-N 3.39Å; Q185-L194 HydrophobicContact CB-CD2 3.45Å; Q185-L194 VanDerWaalsContact CB-CD2 3.45Å; Q185-L194 HydrophobicContact CG-CD2 3.5Å; Q185-L194 VanDerWaalsContact CG-CD2 3.5Å |
| 186 | P | 65.5 | Low | 72.6 | Confident | 116 Ų | 116 | 74.6 Ų | 74.6 | 75% | 0.753 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -17 | -171.1 | 20.7 | -29.8 | 0 | 0 | 0 | 114.7 | ||
| 187 | N | 62.5 | Low | 72.4 | Confident | 110 Ų | 110 | 81 Ų | 81 | 59% | 0.588 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.2 | 37.5 | -178.4 | -68.1 | -19.8 | 0 | 0 | 0 | 113.4 | Q185 S189 T190 | Q185-N187 PolarHBondContact O-N 3.46Å; N187-S189 PolarHBondContact O-N 3.47Å; N187-T190 PolarHBondContact O-N 3.08Å; N187-T190 PolarHBondContact O-OG1 3.49Å |
| 188 | S | 56.1 | Low | 72.5 | Confident | 54 Ų | 54 | 79.4 Ų | 79.4 | 38% | 0.378 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -11 | -177.4 | 65.2 | 0 | 0 | 0 | 0 | 115.4 | K182 Q185 | K182-S188 WeakPolarHBondContact O-CB 3.48Å; Q185-S188 PolarHBondContact O-N 3.39Å |
| 189 | S | 48.8 | Very low | 72.6 | Confident | 107 Ų | 107 | 76.4 Ų | 76.4 | 75% | 0.748 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -14.3 | 179.6 | 53.1 | 0 | 0 | 0 | 0 | 115.3 | N187 | N187-S189 PolarHBondContact O-N 3.47Š|
| 190 | T | 46 | Very low | 72.3 | Confident | 78 Ų | 78 | 78.1 Ų | 78.1 | 48% | 0.479 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -82 | 119.5 | 175.6 | 22.1 | 0 | 0 | 0 | 0 | 110.5 | N187 I192 | N187-T190 PolarHBondContact O-N 3.08Å; N187-T190 PolarHBondContact O-OG1 3.49Å; T190-I192 PolarHBondContact O-N 3.3Å |
| 191 | F | 43.6 | Very low | 71.5 | Confident | 220 Ų | 220 | 75 Ų | 75 | 97% | 0.965 | 41% | 0.408 | S | S | * | . | trans | -57.5 | 4.7 | -176.2 | -104.8 | -95.4 | 0 | 0 | 0 | 116.6 | S193 | F191-S193 PolarHBondContact O-N 2.93Š| ||
| 192 | I | 51.6 | Low | 70 | Confident | 136 Ų | 136 | 79.3 Ų | 79.3 | 70% | 0.697 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -73.5 | 127.5 | 174.2 | -55.7 | 175.1 | 0 | 0 | 0 | 106.2 | T190 L194 | T190-I192 PolarHBondContact O-N 3.3Å; I192-L194 VanDerWaalsContact C-N 3.29Å; I192-L194 PolarHBondContact O-N 3.48Å |
| 193 | S | 56.1 | Low | 68.5 | Low | 75 Ų | 75 | 78.4 Ų | 78.4 | 52% | 0.524 | 43% | 0.429 | S | S | . | . | trans | -49.5 | 93.8 | 175.8 | 168.4 | 0 | 0 | 0 | 0 | 109.6 | F191 V195 | F191-S193 PolarHBondContact O-N 2.93Å; S193-V195 VanDerWaalsContact C-N 3.32Å; S193-V195 PolarHBondContact O-N 3.23Å | ||
| 194 | L | 73.5 | Confident | 66.9 | Low | 49 Ų | 49 | 73.7 Ų | 73.7 | 26% | 0.257 | 42% | 0.42 | S | S | . | . | trans | -71.9 | 95 | -176.5 | -147.3 | 87.5 | 0 | 0 | 0 | 106.8 | W181 Q185 I192 | W181-L194 HydrophobicContact CH2-CD2 4.36Å; W181-L194 HydrophobicContact CH2-CG 4.45Å; W181-L194 HydrophobicContact CZ3-CD2 4.31Å; W181-L194 HydrophobicContact CZ3-CG 4.48Å; Q185-L194 HydrophobicContact CB-CD2 3.45Å; Q185-L194 VanDerWaalsContact CB-CD2 3.45Å; Q185-L194 HydrophobicContact CG-CD2 3.5Å; Q185-L194 VanDerWaalsContact CG-CD2 3.5Å; I192-L194 VanDerWaalsContact C-N 3.29Å; I192-L194 PolarHBondContact O-N 3.48Å | ||
| 195 | V | 82.2 | Confident | 65.3 | Low | 13 Ų | 13 | 77.4 Ų | 77.4 | 8% | 0.079 | 43% | 0.434 | C | S | . | . | trans | -106.7 | 156.1 | 172.1 | -68.9 | 0 | 0 | 0 | 0 | 108.2 | P173 Y176 S193 C199 L200 T226 | P173-V195 HydrophobicContact CB-CG1 3.74Å; Y176-V195 HydrophobicContact CD2-CG1 4.17Å; S193-V195 VanDerWaalsContact C-N 3.32Å; S193-V195 PolarHBondContact O-N 3.23Å; V195-C199 HydrophobicContact CB-CB 3.92Å; V195-C199 HydrophobicContact CG2-CB 3.94Å; V195-L200 HydrophobicContact CG2-CD2 3.78Å; V195-L200 HydrophobicContact CG2-CG 4.3Å; V195-T226 HydrophobicContact CB-CG2 4.39Å; V195-T226 HydrophobicContact CG1-CG2 4.12Å; V195-T226 HydrophobicContact CG2-CG2 3.76Å | ||
| 196 | P | 86.2 | Confident | 63.9 | Low | 3 Ų | 3 | 82.2 Ų | 82.2 | 2% | 0.019 | 46% | 0.456 | C | S | . | . | trans | -61.4 | 156.5 | 173.7 | -24.6 | 35.6 | 0 | 0 | 0 | 113.2 | Y148 Y176 W181 S198 C199 | Y148-P196 HydrophobicContact CE1-CB 4.24Å; Y148-P196 HydrophobicContact CE1-CG 3.46Å; Y148-P196 VanDerWaalsContact CE1-CG 3.46Å; Y148-P196 VanDerWaalsContact CZ-CG 3.45Å; Y148-P196 WeakPolarHBondContact OH-CB 3.42Å; Y148-P196 WeakPolarHBondContact OH-CG 3.4Å; Y176-P196 HydrophobicContact CD1-CG 3.96Å; Y176-P196 HydrophobicContact CE1-CG 3.51Å; Y176-P196 HydrophobicContact CE2-CG 4.21Å; Y176-P196 HydrophobicContact CG-CG 4.47Å; W181-P196 HydrophobicContact CH2-CB 4.44Å; W181-P196 HydrophobicContact CH2-CG 4.11Å; W181-P196 HydrophobicContact CZ2-CG 4.4Å; W181-P196 HydrophobicContact CZ3-CG 4.22Å; P196-S198 PolarHBondContact O-N 3.35Å; P196-S198 VanDerWaalsContact O-N 3.17Å; P196-C199 VanDerWaalsContact O-CB 3.27Å; P196-C199 WeakPolarHBondContact O-CB 3.49Å; P196-C199 PolarHBondContact O-N 3.41Å | ||
| 197 | D | 84.5 | Confident | 63.3 | Low | 137 Ų | 137 | 82 Ų | 82 | 73% | 0.733 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -58.7 | -29.6 | 176.6 | -62.6 | -23.5 | 0 | 0 | 0 | 112.1 | C199 L200 | D197-C199 PolarHBondContact O-N 3.35Å; D197-L200 WeakPolarHBondContact O-CB 3.42Å; D197-L200 PolarHBondContact O-N 2.85Å |
| 198 | S | 87.4 | Confident | 62.8 | Low | 17 Ų | 17 | 78.7 Ų | 78.7 | 12% | 0.119 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -64.4 | -17.4 | 175 | 60.9 | 0 | 0 | 0 | 0 | 114.1 | D159 Q162 P196 | D159-S198 WeakPolarHBondContact OD1-CB 3.28Å; D159-S198 PolarHBondContact OD1-OG 2.92Å; Q162-S198 PolarHBondContact OE1-OG 2.72Å; P196-S198 PolarHBondContact O-N 3.35Å; P196-S198 VanDerWaalsContact O-N 3.17Å |
| 199 | C | 86.9 | Confident | 62.7 | Low | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -86.1 | -6.5 | 173.6 | -72.4 | 0 | 0 | 0 | 0 | 114.2 | Q162 C168 V195 P196 D197 T226 F227 | Q162-C199 PolarHBondContact NE2-SG 2.98Å; C168-C199 VanDerWaalsContact CA-SG 3.56Å; C168-C199 HydrophobicContact CB-CB 3.66Å; C168-C199 WeakPolarHBondContact CB-SG 3.1Å; C168-C199 WeakPolarHBondContact SG-CB 3.33Å; C168-C199 CovalentContact SG-SG 2.03Å; C168-C199 PolarHBondContact SG-SG 2.91Å; V195-C199 HydrophobicContact CB-CB 3.92Å; V195-C199 HydrophobicContact CG2-CB 3.94Å; P196-C199 VanDerWaalsContact O-CB 3.27Å; P196-C199 WeakPolarHBondContact O-CB 3.49Å; P196-C199 PolarHBondContact O-N 3.41Å; D197-C199 PolarHBondContact O-N 3.35Å; C199-T226 HydrophobicContact CB-CG2 4.26Å; C199-T226 WeakPolarHBondContact O-CA 3.42Å; C199-F227 VanDerWaalsContact C-CD2 3.47Å; C199-F227 WeakPolarHBondContact O-CD2 3.33Å; C199-F227 PolarHBondContact O-N 3.36Å |
| 200 | L | 81.8 | Confident | 63 | Low | 38 Ų | 38 | 80.6 Ų | 80.6 | 20% | 0.199 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 133.1 | -169.8 | -59.3 | 174.2 | 0 | 0 | 0 | 109.5 | V195 D197 Q224 T226 | V195-L200 HydrophobicContact CG2-CD2 3.78Å; V195-L200 HydrophobicContact CG2-CG 4.3Å; D197-L200 WeakPolarHBondContact O-CB 3.42Å; D197-L200 PolarHBondContact O-N 2.85Å; L200-Q224 HydrophobicContact CB-CB 4.35Å; L200-Q224 HydrophobicContact CD1-CB 4.39Å; L200-Q224 VanDerWaalsContact CD1-OE1 3.3Å; L200-Q224 HydrophobicContact CD2-CB 4.35Å; L200-T226 WeakPolarHBondContact CD2-OG1 3.27Å |
| 201 | T | 70.6 | Confident | 63.3 | Low | 55 Ų | 55 | 81.2 Ų | 81.2 | 34% | 0.337 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 144.6 | 165.9 | -170.8 | 0 | 0 | 0 | 0 | 110.2 | K203 V225 F227 | T201-K203 PolarHBondContact O-N 3.24Å; T201-V225 HydrophobicContact CG2-CB 4.18Å; T201-V225 PolarHBondContact N-O 3.4Å; T201-V225 PolarHBondContact O-N 3.49Å; T201-F227 HydrophobicContact CG2-CE1 3.87Å; T201-F227 HydrophobicContact CG2-CZ 4.27Å |
| 202 | L | 57.9 | Low | 63.6 | Low | 122 Ų | 122 | 75.1 Ų | 75.1 | 64% | 0.639 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 118.8 | 164.6 | -82.1 | 150.5 | 0 | 0 | 0 | 106.6 | S204 P222 | L202-S204 PolarHBondContact O-N 3.38Å; L202-P222 HydrophobicContact CD2-CB 4.04Å; L202-P222 HydrophobicContact CD2-CG 4.16Å |
| 203 | K | 54.1 | Low | 63.9 | Low | 32 Ų | 32 | 75.1 Ų | 75.1 | 14% | 0.139 | 40% | 0.401 | C | S | . | . | trans | -45.6 | 127.1 | 172 | -134 | 171 | -172.1 | 174.6 | 0 | 108.3 | T201 L205 E207 E211 V225 | T201-K203 PolarHBondContact O-N 3.24Å; K203-L205 PolarHBondContact O-N 3.02Å; K203-E207 HydrophobicContact CD-CB 4.42Å; K203-E207 HydrophobicContact CG-CB 3.95Å; K203-E211 IonicContact NZ-OE1 2.75Å; K203-E211 IonicContact NZ-OE2 3.63Å; K203-E211 PolarHBondContact NZ-OE2 3.44Å; K203-V225 HydrophobicContact CB-CG2 4.38Å; K203-V225 HydrophobicContact CD-CG2 3.91Å; K203-V225 HydrophobicContact CG-CG2 3.74Å | ||
| 204 | S | 48.1 | Very low | 63.9 | Low | 63 Ų | 63 | 80.2 Ų | 80.2 | 44% | 0.441 | 41% | 0.413 | S | S | . | . | trans | -57.3 | 140.9 | 175.9 | 79.7 | 0 | 0 | 0 | 0 | 107.3 | L202 E206 E207 Q208 | L202-S204 PolarHBondContact O-N 3.38Å; S204-E206 PolarHBondContact O-N 3.49Å; S204-E207 PolarHBondContact O-N 2.94Å; S204-E207 PolarHBondContact OG-N 2.86Å; S204-Q208 PolarHBondContact O-N 3.47Å; S204-Q208 VanDerWaalsContact O-N 3.14Å | ||
| 205 | L | 48.4 | Very low | 62.8 | Low | 138 Ų | 138 | 81.5 Ų | 81.5 | 72% | 0.723 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -49.4 | -26.7 | 179.5 | -163.2 | 75 | 0 | 0 | 0 | 111.6 | K203 V209 | K203-L205 PolarHBondContact O-N 3.02Å; L205-V209 VanDerWaalsContact O-CB 3.32Å; L205-V209 WeakPolarHBondContact O-CB 3.31Å; L205-V209 WeakPolarHBondContact O-CG2 3.46Å; L205-V209 PolarHBondContact O-N 3.42Å |
| 206 | E | 49.9 | Very low | 61.1 | Low | 163 Ų | 163 | 91.3 Ų | 91.3 | 76% | 0.762 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -71.2 | -41.6 | 178 | -134.9 | 173.2 | 176.7 | 0 | 0 | 114.1 | S204 L210 | S204-E206 PolarHBondContact O-N 3.49Å; E206-L210 WeakPolarHBondContact O-CB 3.24Å; E206-L210 PolarHBondContact O-N 3.36Å; E206-L210 VanDerWaalsContact O-N 3.14Å |
| 207 | E | 52.9 | Low | 59.3 | Low | 111 Ų | 111 | 95.4 Ų | 95.4 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -73.1 | -33.1 | 174 | -91.8 | -174.6 | 164.6 | 0 | 0 | 112.2 | K203 S204 L210 E211 | K203-E207 HydrophobicContact CD-CB 4.42Å; K203-E207 HydrophobicContact CG-CB 3.95Å; S204-E207 PolarHBondContact O-N 2.94Å; S204-E207 PolarHBondContact OG-N 2.86Å; E207-L210 PolarHBondContact O-N 2.79Å; E207-E211 PolarHBondContact O-N 3.32Å |
| 208 | Q | 52.1 | Low | 57.4 | Low | 41 Ų | 41 | 95.5 Ų | 95.5 | 19% | 0.192 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -67.9 | -43.8 | 177.1 | -148.6 | 173.7 | -4.3 | 0 | 0 | 110.9 | S204 L210 E211 D212 | S204-Q208 PolarHBondContact O-N 3.47Å; S204-Q208 VanDerWaalsContact O-N 3.14Å; Q208-L210 PolarHBondContact O-N 2.82Å; Q208-E211 PolarHBondContact O-N 2.66Å; Q208-D212 WeakPolarHBondContact O-CB 3.44Å; Q208-D212 VanDerWaalsContact O-CG 3.31Å; Q208-D212 PolarHBondContact O-N 3.21Å |
| 209 | V | 54 | Low | 55.3 | Low | 76 Ų | 76 | 106.1 Ų | 106.1 | 46% | 0.461 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.1 | -36.5 | 175 | 169.5 | 0 | 0 | 0 | 0 | 112 | L205 I213 | L205-V209 VanDerWaalsContact O-CB 3.32Å; L205-V209 WeakPolarHBondContact O-CB 3.31Å; L205-V209 WeakPolarHBondContact O-CG2 3.46Å; L205-V209 PolarHBondContact O-N 3.42Å; V209-I213 HydrophobicContact CG1-CD1 4.1Å; V209-I213 VanDerWaalsContact O-CD1 3.32Å; V209-I213 WeakPolarHBondContact O-CD1 3.4Å; V209-I213 WeakPolarHBondContact O-CG1 3.24Å; V209-I213 PolarHBondContact O-N 3.1Å |
| 210 | L | 54.7 | Low | 53.4 | Low | 126 Ų | 126 | 111.6 Ų | 111.6 | 66% | 0.66 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70.7 | -31.2 | -179.4 | -163.4 | 71.7 | 0 | 0 | 0 | 113.1 | E206 E207 Q208 | E206-L210 WeakPolarHBondContact O-CB 3.24Å; E206-L210 PolarHBondContact O-N 3.36Å; E206-L210 VanDerWaalsContact O-N 3.14Å; E207-L210 PolarHBondContact O-N 2.79Å; Q208-L210 PolarHBondContact O-N 2.82Å |
| 211 | E | 52.5 | Low | 51.9 | Low | 90 Ų | 90 | 118.1 Ų | 118.1 | 42% | 0.421 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -85 | -35.9 | 174.1 | -89.9 | -173.6 | 167.6 | 0 | 0 | 113.6 | K203 E207 Q208 I213 K214 T215 | K203-E211 IonicContact NZ-OE1 2.75Å; K203-E211 IonicContact NZ-OE2 3.63Å; K203-E211 PolarHBondContact NZ-OE2 3.44Å; E207-E211 PolarHBondContact O-N 3.32Å; Q208-E211 PolarHBondContact O-N 2.66Å; E211-I213 PolarHBondContact O-N 3.36Å; E211-K214 WeakPolarHBondContact O-CA 3.4Å; E211-K214 WeakPolarHBondContact O-CB 3.44Å; E211-K214 PolarHBondContact O-N 3.39Å; E211-T215 PolarHBondContact O-N 2.84Å; E211-T215 VanDerWaalsContact O-N 3.15Å; E211-T215 PolarHBondContact O-OG1 3.45Å |
| 212 | D | 51.1 | Low | 51 | Low | 93 Ų | 93 | 118.6 Ų | 118.6 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.4 | -27.9 | 174.7 | -79.3 | -11.6 | 0 | 0 | 0 | 111.9 | Q208 K214 | Q208-D212 WeakPolarHBondContact O-CB 3.44Å; Q208-D212 VanDerWaalsContact O-CG 3.31Å; Q208-D212 PolarHBondContact O-N 3.21Å; D212-K214 VanDerWaalsContact C-N 3.26Å; D212-K214 PolarHBondContact O-N 3.22Å |
| 213 | I | 56 | Low | 50.8 | Low | 135 Ų | 135 | 118.8 Ų | 118.8 | 69% | 0.692 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -26.1 | 171.3 | -69.1 | 165.4 | 0 | 0 | 0 | 112.1 | V209 E211 | V209-I213 HydrophobicContact CG1-CD1 4.1Å; V209-I213 VanDerWaalsContact O-CD1 3.32Å; V209-I213 WeakPolarHBondContact O-CD1 3.4Å; V209-I213 WeakPolarHBondContact O-CG1 3.24Å; V209-I213 PolarHBondContact O-N 3.1Å; E211-I213 PolarHBondContact O-N 3.36Å |
| 214 | K | 57.1 | Low | 51.2 | Low | 183 Ų | 183 | 122.9 Ų | 122.9 | 80% | 0.796 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -25.7 | 179.2 | -84.5 | -178.7 | 177.9 | 173.3 | 0 | 114 | E211 D212 | E211-K214 WeakPolarHBondContact O-CA 3.4Å; E211-K214 WeakPolarHBondContact O-CB 3.44Å; E211-K214 PolarHBondContact O-N 3.39Å; D212-K214 VanDerWaalsContact C-N 3.26Å; D212-K214 PolarHBondContact O-N 3.22Å |
| 215 | T | 50.4 | Low | 52.3 | Low | 75 Ų | 75 | 122.5 Ų | 122.5 | 46% | 0.46 | 60% | 0.599 | S | S | . | * | trans | -123.8 | 99.4 | -178 | 32.7 | 0 | 0 | 0 | 0 | 110.8 | E211 S217 | E211-T215 PolarHBondContact O-N 2.84Å; E211-T215 VanDerWaalsContact O-N 3.15Å; E211-T215 PolarHBondContact O-OG1 3.45Å; T215-S217 VanDerWaalsContact C-N 3.34Å; T215-S217 PolarHBondContact O-N 3.39Å | ||
| 216 | K | 45.9 | Very low | 53.6 | Low | 220 Ų | 220 | 117.4 Ų | 117.4 | 96% | 0.957 | 57% | 0.573 | S | S | * | * | trans | -58.3 | 95.3 | 160.7 | -88.2 | -178.9 | 172.6 | 177.9 | 0 | 108.7 | ||||
| 217 | S | 48.1 | Very low | 55.1 | Low | 89 Ų | 89 | 111 Ų | 111 | 62% | 0.622 | 54% | 0.543 | S | S | * | . | trans | -157.8 | 137.8 | 168.3 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | T215 | T215-S217 VanDerWaalsContact C-N 3.34Å; T215-S217 PolarHBondContact O-N 3.39Å | ||
| 218 | D | 45.1 | Very low | 56.5 | Low | 138 Ų | 138 | 112.8 Ų | 112.8 | 74% | 0.738 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -44.5 | 143.1 | 180 | -79.9 | -51.4 | 0 | 0 | 0 | 114.6 | E220 | D218-E220 PolarHBondContact O-N 2.91Š|
| 219 | Y | 44.3 | Very low | 58.2 | Low | 241 Ų | 241 | 116.4 Ų | 116.4 | 95% | 0.945 | 57% | 0.567 | S | S | * | * | trans | 10.2 | 76 | 156.6 | -78.6 | -92.9 | 0 | 0 | 0 | 114.9 | ||||
| 220 | E | 46.5 | Very low | 59.9 | Low | 114 Ų | 114 | 113.5 Ų | 113.5 | 53% | 0.533 | 55% | 0.552 | S | S | . | * | trans | -93.9 | 127 | 169 | -120.7 | 175.9 | 172.1 | 0 | 0 | 108.2 | D218 R223 | D218-E220 PolarHBondContact O-N 2.91Å; E220-R223 IonicContact OE1-NH2 3.59Å; E220-R223 IonicContact OE2-CZ 3.43Å; E220-R223 IonicContact OE2-NE 3.75Å; E220-R223 IonicContact OE2-NH2 3.53Å; E220-R223 PolarHBondContact OE2-NH2 3.11Å | ||
| 221 | E | 50.7 | Low | 61.6 | Low | 176 Ų | 176 | 107.5 Ų | 107.5 | 82% | 0.822 | 52% | 0.52 | S | S | * | . | trans | -46.8 | 147.1 | 170.7 | -79.8 | 179.1 | 151.1 | 0 | 0 | 110.6 | R223 | E221-R223 PolarHBondContact O-N 3Š| ||
| 222 | P | 50.7 | Low | 63.3 | Low | 65 Ų | 65 | 103.9 Ų | 103.9 | 42% | 0.422 | 51% | 0.506 | S | S | . | . | trans | -53.6 | 112.3 | -177 | 20.6 | -31 | 0 | 0 | 0 | 110.7 | L202 Q224 | L202-P222 HydrophobicContact CD2-CB 4.04Å; L202-P222 HydrophobicContact CD2-CG 4.16Å; P222-Q224 PolarHBondContact O-N 2.84Å | ||
| 223 | R | 55 | Low | 64.9 | Low | 125 Ų | 125 | 104.8 Ų | 104.8 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | trans | -64 | 101.5 | -176.8 | -120.4 | -175.4 | -90.3 | -167.9 | -2.4 | 108.4 | E220 E221 V225 | E220-R223 IonicContact OE1-NH2 3.59Å; E220-R223 IonicContact OE2-CZ 3.43Å; E220-R223 IonicContact OE2-NE 3.75Å; E220-R223 IonicContact OE2-NH2 3.53Å; E220-R223 PolarHBondContact OE2-NH2 3.11Å; E221-R223 PolarHBondContact O-N 3Å; R223-V225 PolarHBondContact O-N 3.45Å | ||
| 224 | Q | 62.1 | Low | 66.4 | Low | 119 Ų | 119 | 102 Ų | 102 | 56% | 0.556 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 126.9 | 177.5 | -70.5 | 177.6 | -23.1 | 0 | 0 | 109.4 | L200 P222 | L200-Q224 HydrophobicContact CB-CB 4.35Å; L200-Q224 HydrophobicContact CD1-CB 4.39Å; L200-Q224 VanDerWaalsContact CD1-OE1 3.3Å; L200-Q224 HydrophobicContact CD2-CB 4.35Å; P222-Q224 PolarHBondContact O-N 2.84Å |
| 225 | V | 70.4 | Confident | 67.6 | Low | 55 Ų | 55 | 93.6 Ų | 93.6 | 33% | 0.333 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 127.7 | 180 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | T201 K203 R223 | T201-V225 HydrophobicContact CG2-CB 4.18Å; T201-V225 PolarHBondContact N-O 3.4Å; T201-V225 PolarHBondContact O-N 3.49Å; K203-V225 HydrophobicContact CB-CG2 4.38Å; K203-V225 HydrophobicContact CD-CG2 3.91Å; K203-V225 HydrophobicContact CG-CG2 3.74Å; R223-V225 PolarHBondContact O-N 3.45Å |
| 226 | T | 77.3 | Confident | 69.2 | Low | 30 Ų | 30 | 93.1 Ų | 93.1 | 18% | 0.184 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 134 | 176.3 | -51.3 | 0 | 0 | 0 | 0 | 111.1 | C168 P173 V195 C199 L200 Q228 | C168-T226 HydrophobicContact CB-CG2 4.48Å; P173-T226 HydrophobicContact CB-CG2 4.13Å; V195-T226 HydrophobicContact CB-CG2 4.39Å; V195-T226 HydrophobicContact CG1-CG2 4.12Å; V195-T226 HydrophobicContact CG2-CG2 3.76Å; C199-T226 HydrophobicContact CB-CG2 4.26Å; C199-T226 WeakPolarHBondContact O-CA 3.42Å; L200-T226 WeakPolarHBondContact CD2-OG1 3.27Å; T226-Q228 PolarHBondContact O-N 2.64Å |
| 227 | F | 81 | Confident | 71.1 | Confident | 29 Ų | 29 | 86.6 Ų | 86.6 | 13% | 0.127 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 120 | 168.7 | -59.6 | -56.9 | 0 | 0 | 0 | 110.3 | E166 C168 C199 T201 | E166-F227 HydrophobicContact CB-CD1 3.93Å; E166-F227 HydrophobicContact CB-CE1 3.51Å; E166-F227 HydrophobicContact CB-CE2 4.34Å; E166-F227 HydrophobicContact CB-CG 4.5Å; E166-F227 HydrophobicContact CB-CZ 3.75Å; E166-F227 HydrophobicContact CG-CE1 3.89Å; E166-F227 HydrophobicContact CG-CZ 3.81Å; E166-F227 WeakPolarHBondContact O-CD1 3.03Å; E166-F227 WeakPolarHBondContact O-CG 3.1Å; C168-F227 HydrophobicContact CB-CB 4.09Å; C168-F227 WeakPolarHBondContact CB-O 3.4Å; C199-F227 VanDerWaalsContact C-CD2 3.47Å; C199-F227 WeakPolarHBondContact O-CD2 3.33Å; C199-F227 PolarHBondContact O-N 3.36Å; T201-F227 HydrophobicContact CG2-CE1 3.87Å; T201-F227 HydrophobicContact CG2-CZ 4.27Å |
| 228 | Q | 81.9 | Confident | 72.7 | Confident | 148 Ų | 148 | 85.6 Ų | 85.6 | 69% | 0.692 | 41% | 0.408 | S | S | * | . | trans | -82.9 | -21.5 | 179.4 | -66.8 | -64 | -27.2 | 0 | 0 | 112.5 | T226 | T226-Q228 PolarHBondContact O-N 2.64Š| ||
| 229 | K | 87.5 | Confident | 74.3 | Confident | 118 Ų | 118 | 79.6 Ų | 79.6 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -79 | 132 | -176.6 | -170 | 175.4 | 179.8 | 174.6 | 0 | 110.6 | C167 C168 E233 | C167-K229 CarbonylContact C-O 3.5Å; C167-K229 VanDerWaalsContact CA-O 3.25Å; C167-K229 WeakPolarHBondContact CA-O 3.5Å; C167-K229 WeakPolarHBondContact CB-O 3.16Å; C168-K229 PolarHBondContact N-O 3.38Å; K229-E233 WeakPolarHBondContact CE-OE2 3.34Å; K229-E233 IonicContact NZ-OE2 2.63Å; K229-E233 PolarHBondContact NZ-OE2 3.46Å |
| 230 | G | 89.3 | Confident | 76.1 | Confident | 14 Ų | 14 | 72.3 Ų | 72.3 | 14% | 0.144 | 35% | 0.35 | C | S | . | . | trans | -72.9 | 147.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F170 A232 | F170-G230 CarbonylContact O-C 3.07Å; F170-G230 VanDerWaalsContact O-C 3.3Å; F170-G230 VanDerWaalsContact O-CA 3.23Å; F170-G230 WeakPolarHBondContact O-CA 3.17Å; G230-A232 PolarHBondContact O-N 2.92Å | ||
| 231 | C | 90.5 | Very high | 77.8 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -9.5 | 179.4 | -56.8 | 0 | 0 | 0 | 0 | 113.8 | W158 L161 C167 G169 F170 E233 F234 L235 | W158-C231 HydrophobicContact CH2-CB 4.2Å; W158-C231 HydrophobicContact CZ2-CB 4.12Å; L161-C231 HydrophobicContact CD2-CB 4.35Å; C167-C231 VanDerWaalsContact C-SG 3.55Å; C167-C231 HydrophobicContact CB-CB 3.94Å; C167-C231 WeakPolarHBondContact CB-SG 3.37Å; C167-C231 WeakPolarHBondContact SG-CA 3.35Å; C167-C231 WeakPolarHBondContact SG-CB 3.31Å; C167-C231 CovalentContact SG-SG 2.02Å; C167-C231 PolarHBondContact SG-SG 3Å; G169-C231 WeakPolarHBondContact O-CB 3.31Å; G169-C231 PolarHBondContact O-N 3.47Å; G169-C231 PolarHBondContact O-SG 2.88Å; F170-C231 PolarHBondContact O-N 2.69Å; F170-C231 VanDerWaalsContact O-N 3.13Å; C231-E233 VanDerWaalsContact C-N 3.31Å; C231-E233 PolarHBondContact O-N 2.86Å; C231-F234 PolarHBondContact O-N 3.43Å; C231-L235 WeakPolarHBondContact O-CB 3.28Å; C231-L235 PolarHBondContact O-N 2.58Å |
| 232 | A | 88.6 | Confident | 79.2 | Confident | 14 Ų | 14 | 62 Ų | 62 | 12% | 0.116 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.8 | -41.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F170 G230 L235 Y236 | F170-A232 HydrophobicContact CD1-CB 3.9Å; F170-A232 HydrophobicContact CD2-CB 4.41Å; F170-A232 HydrophobicContact CE1-CB 3.58Å; F170-A232 HydrophobicContact CE2-CB 4.17Å; F170-A232 HydrophobicContact CG-CB 4.3Å; F170-A232 HydrophobicContact CZ-CB 3.73Å; F170-A232 VanDerWaalsContact O-CB 3.25Å; F170-A232 WeakPolarHBondContact O-CB 3.39Å; F170-A232 PolarHBondContact O-N 2.93Å; G230-A232 PolarHBondContact O-N 2.92Å; A232-L235 PolarHBondContact O-N 2.66Å; A232-Y236 HydrophobicContact CB-CD2 4.34Å; A232-Y236 HydrophobicContact CB-CE2 3.93Å; A232-Y236 WeakPolarHBondContact O-CB 3.4Å; A232-Y236 WeakPolarHBondContact O-CD2 3.45Å; A232-Y236 PolarHBondContact O-N 2.95Å |
| 233 | E | 85.1 | Confident | 80.7 | Confident | 113 Ų | 113 | 59.3 Ų | 59.3 | 53% | 0.528 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | -179.2 | -168.2 | -177.5 | 178.7 | 0 | 0 | 111.9 | K229 C231 T237 | K229-E233 WeakPolarHBondContact CE-OE2 3.34Å; K229-E233 IonicContact NZ-OE2 2.63Å; K229-E233 PolarHBondContact NZ-OE2 3.46Å; C231-E233 VanDerWaalsContact C-N 3.31Å; C231-E233 PolarHBondContact O-N 2.86Å; E233-T237 WeakPolarHBondContact O-CB 3.42Å; E233-T237 WeakPolarHBondContact O-CG2 3.15Å; E233-T237 PolarHBondContact O-N 3.42Å; E233-T237 PolarHBondContact O-OG1 2.93Å |
| 234 | F | 86.1 | Confident | 82.1 | Confident | 75 Ų | 75 | 55.9 Ų | 55.9 | 33% | 0.329 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 175 | -177.7 | -93.9 | 0 | 0 | 0 | 111 | L161 C231 Y236 T237 H238 | L161-F234 HydrophobicContact CD1-CD1 3.65Å; L161-F234 HydrophobicContact CD1-CE1 3.58Å; C231-F234 PolarHBondContact O-N 3.43Å; F234-Y236 PolarHBondContact O-N 3.09Å; F234-T237 WeakPolarHBondContact CA-OG1 3.47Å; F234-T237 PolarHBondContact O-N 3.19Å; F234-T237 PolarHBondContact O-OG1 3.13Å; F234-H238 VanDerWaalsContact O-CB 3.31Å; F234-H238 WeakPolarHBondContact O-CB 2.99Å; F234-H238 PolarHBondContact O-N 3.36Å |
| 235 | L | 83.9 | Confident | 83 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 178.8 | -167.2 | 68.7 | 0 | 0 | 0 | 111.1 | I52 I136 L161 F170 C231 A232 H238 I239 | I52-L235 HydrophobicContact CG2-CD1 4.18Å; I52-L235 HydrophobicContact CG2-CD2 3.99Å; I136-L235 HydrophobicContact CG2-CD2 3.75Å; L161-L235 HydrophobicContact CD2-CD1 4.28Å; F170-L235 HydrophobicContact CE2-CD2 3.9Å; C231-L235 WeakPolarHBondContact O-CB 3.28Å; C231-L235 PolarHBondContact O-N 2.58Å; A232-L235 PolarHBondContact O-N 2.66Å; L235-H238 PolarHBondContact O-N 2.98Å; L235-I239 HydrophobicContact CD1-CD1 4.29Å; L235-I239 HydrophobicContact CD2-CD1 4.4Å; L235-I239 HydrophobicContact CG-CD1 3.73Å; L235-I239 WeakPolarHBondContact O-CB 3.34Å; L235-I239 VanDerWaalsContact O-CD1 3.24Å; L235-I239 WeakPolarHBondContact O-CD1 3.32Å; L235-I239 WeakPolarHBondContact O-CG1 3.46Å; L235-I239 PolarHBondContact O-N 2.81Å |
| 236 | Y | 83.6 | Confident | 83.6 | Confident | 65 Ų | 65 | 49.8 Ų | 49.8 | 26% | 0.255 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 178.5 | -68.2 | -42.2 | 0 | 0 | 0 | 112.9 | I133 F170 A232 F234 H238 I239 E240 | I133-Y236 HydrophobicContact CG2-CD1 4.35Å; I133-Y236 HydrophobicContact CG2-CE1 3.8Å; F170-Y236 HydrophobicContact CZ-CE1 4.42Å; F170-Y236 HydrophobicContact CZ-CE2 4.49Å; F170-Y236 AromaticContact CZ-CZ 3.89Å; F170-Y236 WeakPolarHBondContact CZ-OH 3.28Å; A232-Y236 HydrophobicContact CB-CD2 4.34Å; A232-Y236 HydrophobicContact CB-CE2 3.93Å; A232-Y236 WeakPolarHBondContact O-CB 3.4Å; A232-Y236 WeakPolarHBondContact O-CD2 3.45Å; A232-Y236 PolarHBondContact O-N 2.95Å; F234-Y236 PolarHBondContact O-N 3.09Å; Y236-H238 VanDerWaalsContact C-N 3.35Å; Y236-I239 PolarHBondContact O-N 2.83Å; Y236-E240 WeakPolarHBondContact O-CB 3.25Å; Y236-E240 WeakPolarHBondContact O-CG 3.23Å; Y236-E240 PolarHBondContact O-N 2.97Å |
| 237 | T | 84.5 | Confident | 84 | Confident | 83 Ų | 83 | 52.8 Ų | 52.8 | 51% | 0.509 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 178.3 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | E233 F234 E240 G241 | E233-T237 WeakPolarHBondContact O-CB 3.42Å; E233-T237 WeakPolarHBondContact O-CG2 3.15Å; E233-T237 PolarHBondContact O-N 3.42Å; E233-T237 PolarHBondContact O-OG1 2.93Å; F234-T237 WeakPolarHBondContact CA-OG1 3.47Å; F234-T237 PolarHBondContact O-N 3.19Å; F234-T237 PolarHBondContact O-OG1 3.13Å; T237-E240 PolarHBondContact O-N 3.23Å; T237-G241 PolarHBondContact O-N 3.49Å |
| 238 | H | 82.3 | Confident | 84.4 | Confident | 68 Ų | 68 | 55.4 Ų | 55.4 | 32% | 0.315 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.5 | -49.2 | 174.3 | -169.5 | 88.6 | 0 | 0 | 0 | 111.6 | E49 F234 L235 Y236 E240 G241 V242 | E49-H238 IonicContact OE1-CE1 2.84Å; E49-H238 IonicContact OE1-NE2 2.73Å; E49-H238 PolarHBondContact OE1-NE2 3.37Å; E49-H238 IonicContact OE2-NE2 3.67Å; F234-H238 VanDerWaalsContact O-CB 3.31Å; F234-H238 WeakPolarHBondContact O-CB 2.99Å; F234-H238 PolarHBondContact O-N 3.36Å; L235-H238 PolarHBondContact O-N 2.98Å; Y236-H238 VanDerWaalsContact C-N 3.35Å; H238-E240 PolarHBondContact O-N 3.3Å; H238-G241 WeakPolarHBondContact O-CA 3.44Å; H238-G241 PolarHBondContact O-N 3.15Å; H238-G241 VanDerWaalsContact O-N 3.11Å; H238-V242 PolarHBondContact O-N 3.37Å |
| 239 | I | 79.7 | Confident | 84.8 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 6% | 0.062 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.5 | -43 | 178 | -69.3 | 158.9 | 0 | 0 | 0 | 111.4 | I53 L132 I136 L235 Y236 G241 V242 L243 | I53-I239 HydrophobicContact CD1-CD1 4.07Å; I53-I239 HydrophobicContact CD1-CG1 3.6Å; I53-I239 HydrophobicContact CG1-CD1 3.95Å; I53-I239 HydrophobicContact CG1-CG1 4.03Å; L132-I239 HydrophobicContact CD2-CG2 3.86Å; I136-I239 HydrophobicContact CD1-CD1 3.33Å; I136-I239 HydrophobicContact CD1-CG1 4.4Å; I136-I239 HydrophobicContact CG2-CD1 4.46Å; L235-I239 HydrophobicContact CD1-CD1 4.29Å; L235-I239 HydrophobicContact CD2-CD1 4.4Å; L235-I239 HydrophobicContact CG-CD1 3.73Å; L235-I239 WeakPolarHBondContact O-CB 3.34Å; L235-I239 VanDerWaalsContact O-CD1 3.24Å; L235-I239 WeakPolarHBondContact O-CD1 3.32Å; L235-I239 WeakPolarHBondContact O-CG1 3.46Å; L235-I239 PolarHBondContact O-N 2.81Å; Y236-I239 PolarHBondContact O-N 2.83Å; I239-G241 VanDerWaalsContact C-N 3.27Å; I239-G241 PolarHBondContact O-N 2.83Å; I239-V242 PolarHBondContact O-N 3.49Å; I239-L243 HydrophobicContact CG2-CD1 3.54Å; I239-L243 HydrophobicContact CG2-CG 4.16Å; I239-L243 VanDerWaalsContact O-CB 3.31Å; I239-L243 WeakPolarHBondContact O-CB 3.41Å; I239-L243 WeakPolarHBondContact O-CG 3.33Å; I239-L243 PolarHBondContact O-N 3.3Å |
| 240 | E | 82.5 | Confident | 85 | Confident | 87 Ų | 87 | 45.3 Ų | 45.3 | 41% | 0.407 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 175.2 | -80.6 | -137.3 | 124.5 | 0 | 0 | 111.8 | R129 Y236 T237 H238 S244 | R129-E240 IonicContact CZ-OE1 3.89Å; R129-E240 IonicContact NE-OE1 3.44Å; R129-E240 IonicContact NH2-OE1 3.84Å; R129-E240 PolarHBondContact NH2-OE1 3.33Å; Y236-E240 WeakPolarHBondContact O-CB 3.25Å; Y236-E240 WeakPolarHBondContact O-CG 3.23Å; Y236-E240 PolarHBondContact O-N 2.97Å; T237-E240 PolarHBondContact O-N 3.23Å; H238-E240 PolarHBondContact O-N 3.3Å; E240-S244 WeakPolarHBondContact O-CB 3.27Å; E240-S244 PolarHBondContact O-N 2.85Å |
| 241 | G | 82.1 | Confident | 85.2 | Confident | 46 Ų | 46 | 47.1 Ų | 47.1 | 47% | 0.474 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60 | -50.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T237 H238 I239 S244 G245 | T237-G241 PolarHBondContact O-N 3.49Å; H238-G241 WeakPolarHBondContact O-CA 3.44Å; H238-G241 PolarHBondContact O-N 3.15Å; H238-G241 VanDerWaalsContact O-N 3.11Å; I239-G241 VanDerWaalsContact C-N 3.27Å; I239-G241 PolarHBondContact O-N 2.83Å; G241-S244 PolarHBondContact O-N 2.98Å; G241-G245 PolarHBondContact O-N 3.13Å; G241-G245 VanDerWaalsContact O-N 3.08Å |
| 242 | V | 80.2 | Confident | 85.4 | Confident | 28 Ų | 28 | 51.4 Ų | 51.4 | 17% | 0.17 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 177.9 | 176.6 | 0 | 0 | 0 | 0 | 111 | H238 I239 S244 G245 S246 | H238-V242 PolarHBondContact O-N 3.37Å; I239-V242 PolarHBondContact O-N 3.49Å; V242-S244 VanDerWaalsContact C-N 3.32Å; V242-S244 PolarHBondContact O-N 3.28Å; V242-G245 PolarHBondContact O-N 2.88Å; V242-S246 PolarHBondContact O-N 3.35Å; V242-S246 PolarHBondContact O-OG 3.35Å |
| 243 | L | 81.9 | Confident | 85.6 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 177.8 | -77.7 | 167.3 | 0 | 0 | 0 | 112.4 | Y57 V125 I128 R129 L132 I239 S246 F247 | Y57-L243 WeakPolarHBondContact OH-CD2 3.49Å; V125-L243 HydrophobicContact CG1-CD2 4.22Å; I128-L243 HydrophobicContact CG2-CD2 4.31Å; R129-L243 HydrophobicContact CB-CD1 4.47Å; R129-L243 HydrophobicContact CG-CD1 4.33Å; L132-L243 HydrophobicContact CD2-CD1 4.29Å; I239-L243 HydrophobicContact CG2-CD1 3.54Å; I239-L243 HydrophobicContact CG2-CG 4.16Å; I239-L243 VanDerWaalsContact O-CB 3.31Å; I239-L243 WeakPolarHBondContact O-CB 3.41Å; I239-L243 WeakPolarHBondContact O-CG 3.33Å; I239-L243 PolarHBondContact O-N 3.3Å; L243-S246 PolarHBondContact O-N 3.38Å; L243-F247 WeakPolarHBondContact O-CB 2.98Å; L243-F247 PolarHBondContact O-N 3.05Å |
| 244 | S | 84.4 | Confident | 86.1 | Confident | 54 Ų | 54 | 47.2 Ų | 47.2 | 38% | 0.378 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 177.2 | -174 | 0 | 0 | 0 | 0 | 111 | E240 G241 V242 F247 I248 | E240-S244 WeakPolarHBondContact O-CB 3.27Å; E240-S244 PolarHBondContact O-N 2.85Å; G241-S244 PolarHBondContact O-N 2.98Å; V242-S244 VanDerWaalsContact C-N 3.32Å; V242-S244 PolarHBondContact O-N 3.28Å; S244-F247 PolarHBondContact O-N 3.34Å; S244-F247 VanDerWaalsContact O-N 3.17Å; S244-I248 VanDerWaalsContact O-CG1 3.28Å; S244-I248 WeakPolarHBondContact O-CG1 3.34Å; S244-I248 PolarHBondContact O-N 2.97Å |
| 245 | G | 79.8 | Confident | 86.5 | Confident | 35 Ų | 35 | 48.1 Ų | 48.1 | 36% | 0.361 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G241 V242 F247 I248 V249 | G241-G245 PolarHBondContact O-N 3.13Å; G241-G245 VanDerWaalsContact O-N 3.08Å; V242-G245 PolarHBondContact O-N 2.88Å; G245-F247 PolarHBondContact O-N 2.95Å; G245-I248 PolarHBondContact O-N 3.02Å; G245-V249 WeakPolarHBondContact O-CG2 3.07Å; G245-V249 PolarHBondContact O-N 3.28Å |
| 246 | S | 82.5 | Confident | 87.1 | Confident | 10 Ų | 10 | 49.7 Ų | 49.7 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.4 | -16.5 | 177.8 | -62.1 | 0 | 0 | 0 | 0 | 114 | V242 L243 P250 | V242-S246 PolarHBondContact O-N 3.35Å; V242-S246 PolarHBondContact O-OG 3.35Å; L243-S246 PolarHBondContact O-N 3.38Å; S246-P250 WeakPolarHBondContact O-CD 3.33Å; S246-P250 WeakPolarHBondContact O-CG 3.27Å |
| 247 | F | 87.7 | Confident | 87.6 | Confident | 93 Ų | 93 | 46.6 Ų | 46.6 | 41% | 0.408 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -90 | -47.2 | 172.8 | -175.8 | -100.6 | 0 | 0 | 0 | 112.2 | L122 V125 L243 S244 G245 P250 V251 | L122-F247 HydrophobicContact CD2-CD2 3.87Å; L122-F247 HydrophobicContact CD2-CE2 3.88Å; V125-F247 HydrophobicContact CG1-CB 4.16Å; V125-F247 HydrophobicContact CG1-CD2 4.26Å; L243-F247 WeakPolarHBondContact O-CB 2.98Å; L243-F247 PolarHBondContact O-N 3.05Å; S244-F247 PolarHBondContact O-N 3.34Å; S244-F247 VanDerWaalsContact O-N 3.17Å; G245-F247 PolarHBondContact O-N 2.95Å; F247-P250 WeakPolarHBondContact O-CD 3.43Å; F247-V251 HydrophobicContact CD1-CG2 4.34Å; F247-V251 HydrophobicContact CE1-CG2 3.99Å; F247-V251 HydrophobicContact CE2-CG2 4.41Å; F247-V251 HydrophobicContact CZ-CG2 4.02Å; F247-V251 VanDerWaalsContact O-CG2 3.3Å; F247-V251 WeakPolarHBondContact O-CG2 3.47Å; F247-V251 PolarHBondContact O-N 3.23Å |
| 248 | I | 89.2 | Confident | 88.1 | Confident | 84 Ų | 84 | 45.4 Ų | 45.4 | 43% | 0.431 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.4 | -44.5 | -172.6 | -68.2 | 167 | 0 | 0 | 0 | 111.3 | S244 G245 V251 I252 | S244-I248 VanDerWaalsContact O-CG1 3.28Å; S244-I248 WeakPolarHBondContact O-CG1 3.34Å; S244-I248 PolarHBondContact O-N 2.97Å; G245-I248 PolarHBondContact O-N 3.02Å; I248-V251 PolarHBondContact O-N 2.96Å; I248-I252 HydrophobicContact CG2-CD1 3.65Å; I248-I252 HydrophobicContact CG2-CG1 4.31Å; I248-I252 WeakPolarHBondContact O-CG1 3.37Å; I248-I252 PolarHBondContact O-N 3.21Å |
| 249 | V | 90.3 | Very high | 88.6 | Confident | 54 Ų | 54 | 46.6 Ų | 46.6 | 33% | 0.327 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.3 | -48.6 | -175 | 175.8 | 0 | 0 | 0 | 0 | 111.8 | F35 G245 V251 I252 S253 | F35-V249 HydrophobicContact CE1-CG1 4.17Å; F35-V249 HydrophobicContact CE2-CG1 4.15Å; F35-V249 HydrophobicContact CZ-CG1 3.77Å; G245-V249 WeakPolarHBondContact O-CG2 3.07Å; G245-V249 PolarHBondContact O-N 3.28Å; V249-V251 VanDerWaalsContact C-N 3.35Å; V249-V251 PolarHBondContact O-N 2.93Å; V249-I252 PolarHBondContact O-N 3.17Å; V249-S253 WeakPolarHBondContact O-CB 3.44Å; V249-S253 PolarHBondContact O-N 2.92Å |
| 250 | P | 91.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.2 | -35.9 | 173 | -26.7 | 37 | 0 | 0 | 0 | 114.4 | F35 F65 H118 L122 S246 F247 S253 L254 | F35-P250 HydrophobicContact CE1-CG 4.18Å; F35-P250 HydrophobicContact CZ-CG 4.34Å; F65-P250 HydrophobicContact CE2-CG 4.46Å; F65-P250 HydrophobicContact CZ-CG 4.19Å; H118-P250 PolarHBondContact CD2-O 2.88Å; L122-P250 HydrophobicContact CD2-CB 4.06Å; L122-P250 HydrophobicContact CG-CB 4.46Å; S246-P250 WeakPolarHBondContact O-CD 3.33Å; S246-P250 WeakPolarHBondContact O-CG 3.27Å; F247-P250 WeakPolarHBondContact O-CD 3.43Å; P250-S253 PolarHBondContact O-N 2.02Å; P250-L254 VanDerWaalsContact O-CB 3.3Å; P250-L254 WeakPolarHBondContact O-CB 3.41Å; P250-L254 PolarHBondContact O-N 2.89Å |
| 251 | V | 93.4 | Very high | 89.8 | Confident | 53 Ų | 53 | 45.4 Ų | 45.4 | 32% | 0.321 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.3 | -48.9 | 176.4 | 171.5 | 0 | 0 | 0 | 0 | 111 | L122 F247 I248 V249 S253 L254 V255 | L122-V251 HydrophobicContact CD1-CG2 4.32Å; L122-V251 HydrophobicContact CD2-CG2 3.65Å; F247-V251 HydrophobicContact CD1-CG2 4.34Å; F247-V251 HydrophobicContact CE1-CG2 3.99Å; F247-V251 HydrophobicContact CE2-CG2 4.41Å; F247-V251 HydrophobicContact CZ-CG2 4.02Å; F247-V251 VanDerWaalsContact O-CG2 3.3Å; F247-V251 WeakPolarHBondContact O-CG2 3.47Å; F247-V251 PolarHBondContact O-N 3.23Å; I248-V251 PolarHBondContact O-N 2.96Å; V249-V251 VanDerWaalsContact C-N 3.35Å; V249-V251 PolarHBondContact O-N 2.93Å; V251-S253 VanDerWaalsContact C-N 3.31Å; V251-S253 PolarHBondContact O-N 3.13Å; V251-L254 PolarHBondContact O-N 2.96Å; V251-V255 WeakPolarHBondContact O-CG2 3.44Å; V251-V255 PolarHBondContact O-N 3.24Å; V251-V255 VanDerWaalsContact O-N 3.09Å |
| 252 | I | 93.5 | Very high | 90.3 | Very high | 89 Ų | 89 | 47.9 Ų | 47.9 | 46% | 0.456 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 178.5 | -67.3 | 171.7 | 0 | 0 | 0 | 110.3 | I248 V249 L254 V255 I256 | I248-I252 HydrophobicContact CG2-CD1 3.65Å; I248-I252 HydrophobicContact CG2-CG1 4.31Å; I248-I252 WeakPolarHBondContact O-CG1 3.37Å; I248-I252 PolarHBondContact O-N 3.21Å; V249-I252 PolarHBondContact O-N 3.17Å; I252-L254 PolarHBondContact O-N 3.46Å; I252-V255 PolarHBondContact O-N 3.3Å; I252-I256 HydrophobicContact CG2-CD1 4Å; I252-I256 WeakPolarHBondContact O-CG1 3.48Å; I252-I256 PolarHBondContact O-N 3.17Å; I252-I256 VanDerWaalsContact O-N 3.14Å |
| 253 | S | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 176.8 | 179.6 | 0 | 0 | 0 | 0 | 112.2 | F35 H118 V249 P250 V251 V255 I256 V257 | F35-S253 WeakPolarHBondContact CE2-OG 3.21Å; H118-S253 PolarHBondContact CE1-OG 3.35Å; H118-S253 VanDerWaalsContact NE2-CB 3.27Å; H118-S253 WeakPolarHBondContact NE2-CB 3.31Å; H118-S253 PolarHBondContact NE2-OG 3.36Å; V249-S253 WeakPolarHBondContact O-CB 3.44Å; V249-S253 PolarHBondContact O-N 2.92Å; P250-S253 PolarHBondContact O-N 2.02Å; V251-S253 VanDerWaalsContact C-N 3.31Å; V251-S253 PolarHBondContact O-N 3.13Å; S253-V255 VanDerWaalsContact C-N 3.33Å; S253-V255 PolarHBondContact O-N 2.97Å; S253-I256 PolarHBondContact O-N 2.61Å; S253-I256 VanDerWaalsContact O-N 3.15Å; S253-V257 WeakPolarHBondContact O-CG2 3.14Å; S253-V257 PolarHBondContact O-N 3.28Å |
| 254 | L | 94.6 | Very high | 91 | Very high | 39 Ų | 39 | 46.8 Ų | 46.8 | 20% | 0.204 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 179 | -172.6 | 65.9 | 0 | 0 | 0 | 112.5 | T115 H118 L122 P250 V251 I252 V257 S258 | T115-L254 HydrophobicContact CG2-CD1 4.15Å; H118-L254 HydrophobicContact CB-CD1 4.03Å; L122-L254 HydrophobicContact CD1-CD2 4.12Å; P250-L254 VanDerWaalsContact O-CB 3.3Å; P250-L254 WeakPolarHBondContact O-CB 3.41Å; P250-L254 PolarHBondContact O-N 2.89Å; V251-L254 PolarHBondContact O-N 2.96Å; I252-L254 PolarHBondContact O-N 3.46Å; L254-V257 PolarHBondContact O-N 3.2Å; L254-S258 WeakPolarHBondContact O-CB 3.06Å; L254-S258 PolarHBondContact O-N 3.4Å; L254-S258 PolarHBondContact O-OG 3.47Å |
| 255 | V | 95.4 | Very high | 91.2 | Very high | 95 Ų | 95 | 47.6 Ų | 47.6 | 58% | 0.576 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63 | -43.9 | 174.1 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | V251 I252 S253 S258 F259 | V251-V255 WeakPolarHBondContact O-CG2 3.44Å; V251-V255 PolarHBondContact O-N 3.24Å; V251-V255 VanDerWaalsContact O-N 3.09Å; I252-V255 PolarHBondContact O-N 3.3Å; S253-V255 VanDerWaalsContact C-N 3.33Å; S253-V255 PolarHBondContact O-N 2.97Å; V255-S258 PolarHBondContact O-N 3.02Å; V255-F259 PolarHBondContact O-N 3.17Å |
| 256 | I | 95.2 | Very high | 91.5 | Very high | 40 Ų | 40 | 48.7 Ų | 48.7 | 21% | 0.205 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 177.8 | -67.9 | 165.9 | 0 | 0 | 0 | 111.1 | L24 A27 F28 L31 I252 S253 S258 F259 S260 | L24-I256 HydrophobicContact CD2-CG2 3.93Å; A27-I256 HydrophobicContact CB-CG2 4.23Å; F28-I256 HydrophobicContact CD1-CG2 4.3Å; F28-I256 HydrophobicContact CE1-CG2 3.91Å; L31-I256 HydrophobicContact CD1-CB 4.35Å; L31-I256 HydrophobicContact CD1-CD1 3.78Å; L31-I256 HydrophobicContact CD1-CG2 4.26Å; I252-I256 HydrophobicContact CG2-CD1 4Å; I252-I256 WeakPolarHBondContact O-CG1 3.48Å; I252-I256 PolarHBondContact O-N 3.17Å; I252-I256 VanDerWaalsContact O-N 3.14Å; S253-I256 PolarHBondContact O-N 2.61Å; S253-I256 VanDerWaalsContact O-N 3.15Å; I256-S258 VanDerWaalsContact C-N 3.33Å; I256-S258 PolarHBondContact O-N 3.27Å; I256-F259 PolarHBondContact O-N 2.94Å; I256-S260 VanDerWaalsContact O-CB 3.25Å; I256-S260 WeakPolarHBondContact O-CB 3.1Å; I256-S260 PolarHBondContact O-N 2.93Å; I256-S260 PolarHBondContact O-OG 2.87Å |
| 257 | V | 95.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 174.8 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | F28 L72 L111 V114 T115 S253 L254 S260 F261 | F28-V257 HydrophobicContact CE1-CG2 4.1Å; L72-V257 HydrophobicContact CD2-CG2 3.92Å; L111-V257 HydrophobicContact CB-CG1 4.48Å; L111-V257 HydrophobicContact CD2-CG1 4.27Å; V114-V257 HydrophobicContact CG1-CG1 4.44Å; V114-V257 HydrophobicContact CG1-CG2 3.88Å; T115-V257 HydrophobicContact CG2-CG1 3.93Å; S253-V257 WeakPolarHBondContact O-CG2 3.14Å; S253-V257 PolarHBondContact O-N 3.28Å; L254-V257 PolarHBondContact O-N 3.2Å; V257-S260 WeakPolarHBondContact O-CB 3.25Å; V257-S260 PolarHBondContact O-N 3.25Å; V257-F261 PolarHBondContact O-N 2.71Å |
| 258 | S | 93.6 | Very high | 91.3 | Very high | 58 Ų | 58 | 46.1 Ų | 46.1 | 41% | 0.406 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.3 | -46 | 179 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | L254 V255 I256 S260 F261 I262 | L254-S258 WeakPolarHBondContact O-CB 3.06Å; L254-S258 PolarHBondContact O-N 3.4Å; L254-S258 PolarHBondContact O-OG 3.47Å; V255-S258 PolarHBondContact O-N 3.02Å; I256-S258 VanDerWaalsContact C-N 3.33Å; I256-S258 PolarHBondContact O-N 3.27Å; S258-S260 VanDerWaalsContact C-N 3.29Å; S258-S260 PolarHBondContact O-N 3.21Å; S258-F261 WeakPolarHBondContact O-CB 3.44Å; S258-F261 PolarHBondContact O-N 3.04Å; S258-I262 PolarHBondContact O-N 3.05Å |
| 259 | F | 93.9 | Very high | 91 | Very high | 93 Ų | 93 | 46.5 Ų | 46.5 | 41% | 0.408 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 174.6 | -177 | -97.2 | 0 | 0 | 0 | 111.7 | W20 L24 V255 I256 F261 I262 L263 | W20-F259 HydrophobicContact CE3-CE1 4.12Å; W20-F259 HydrophobicContact CE3-CZ 4.07Å; W20-F259 HydrophobicContact CZ3-CE1 4.5Å; W20-F259 HydrophobicContact CZ3-CZ 4.21Å; L24-F259 HydrophobicContact CD1-CD1 4.05Å; L24-F259 HydrophobicContact CD1-CE1 4.2Å; L24-F259 HydrophobicContact CD2-CD1 4.06Å; L24-F259 HydrophobicContact CG-CD1 4.42Å; V255-F259 PolarHBondContact O-N 3.17Å; I256-F259 PolarHBondContact O-N 2.94Å; F259-F261 VanDerWaalsContact C-N 3.31Å; F259-F261 PolarHBondContact O-N 2.03Å; F259-I262 PolarHBondContact O-N 2.91Å; F259-L263 PolarHBondContact O-N 3.46Å |
| 260 | S | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -34.8 | 176.4 | -64.5 | 0 | 0 | 0 | 0 | 113.2 | L24 F28 Y107 I256 V257 S258 L263 G264 | L24-S260 WeakPolarHBondContact CD2-OG 2.84Å; F28-S260 VanDerWaalsContact CZ-OG 3.23Å; F28-S260 WeakPolarHBondContact CZ-OG 3.4Å; Y107-S260 WeakPolarHBondContact OH-CB 2.99Å; I256-S260 VanDerWaalsContact O-CB 3.25Å; I256-S260 WeakPolarHBondContact O-CB 3.1Å; I256-S260 PolarHBondContact O-N 2.93Å; I256-S260 PolarHBondContact O-OG 2.87Å; V257-S260 WeakPolarHBondContact O-CB 3.25Å; V257-S260 PolarHBondContact O-N 3.25Å; S258-S260 VanDerWaalsContact C-N 3.29Å; S258-S260 PolarHBondContact O-N 3.21Å; S260-L263 PolarHBondContact O-N 3.2Å; S260-G264 PolarHBondContact O-N 3.4Å |
| 261 | F | 93.3 | Very high | 89.4 | Confident | 73 Ų | 73 | 47.9 Ų | 47.9 | 32% | 0.32 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.6 | -45.6 | 175.8 | -164.2 | -96.1 | 0 | 0 | 0 | 111 | L108 L111 V257 S258 F259 L263 G264 I265 | L108-F261 HydrophobicContact CB-CE2 4.33Å; L108-F261 HydrophobicContact CD2-CD2 3.81Å; L108-F261 HydrophobicContact CD2-CE2 3.87Å; L108-F261 HydrophobicContact CD2-CG 4.27Å; L108-F261 HydrophobicContact CD2-CZ 4.39Å; L111-F261 HydrophobicContact CB-CD2 3.93Å; L111-F261 HydrophobicContact CD1-CB 4.11Å; L111-F261 HydrophobicContact CD1-CD2 4.13Å; V257-F261 PolarHBondContact O-N 2.71Å; S258-F261 WeakPolarHBondContact O-CB 3.44Å; S258-F261 PolarHBondContact O-N 3.04Å; F259-F261 VanDerWaalsContact C-N 3.31Å; F259-F261 PolarHBondContact O-N 2.03Å; F261-L263 PolarHBondContact O-N 2.82Å; F261-G264 PolarHBondContact O-N 2.69Å; F261-I265 HydrophobicContact CD1-CD1 3.76Å; F261-I265 HydrophobicContact CD1-CG1 4.48Å; F261-I265 HydrophobicContact CE1-CD1 3.61Å; F261-I265 HydrophobicContact CE1-CG1 4.4Å; F261-I265 WeakPolarHBondContact O-CG1 3.32Å; F261-I265 PolarHBondContact O-N 3.34Å |
| 262 | I | 91.7 | Very high | 88.1 | Confident | 99 Ų | 99 | 48.3 Ų | 48.3 | 51% | 0.508 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.5 | -46.4 | 175.4 | -62.5 | 169.2 | 0 | 0 | 0 | 110.3 | S258 F259 G264 I265 I266 | S258-I262 PolarHBondContact O-N 3.05Å; F259-I262 PolarHBondContact O-N 2.91Å; I262-G264 VanDerWaalsContact C-N 3.3Å; I262-G264 PolarHBondContact O-N 2.82Å; I262-I265 PolarHBondContact O-N 3.18Å; I262-I266 HydrophobicContact CG2-CD1 3.99Å; I262-I266 WeakPolarHBondContact O-CG1 3.13Å; I262-I266 PolarHBondContact O-N 2.9Å |
| 263 | L | 89.6 | Confident | 86.7 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.063 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 177.2 | -162.5 | 99.4 | 0 | 0 | 0 | 111.7 | L17 W20 L24 F259 S260 F261 I266 L267 | L17-L263 HydrophobicContact CD1-CD1 4.28Å; L17-L263 HydrophobicContact CD1-CG 4.48Å; W20-L263 HydrophobicContact CB-CD1 3.92Å; W20-L263 HydrophobicContact CB-CD2 4.49Å; L24-L263 HydrophobicContact CD1-CB 4.34Å; L24-L263 HydrophobicContact CD1-CD2 3.87Å; F259-L263 PolarHBondContact O-N 3.46Å; S260-L263 PolarHBondContact O-N 3.2Å; F261-L263 PolarHBondContact O-N 2.82Å; L263-I266 PolarHBondContact O-N 3.14Å; L263-L267 HydrophobicContact CD2-CD1 3.97Å; L263-L267 HydrophobicContact CG-CD1 4.4Å; L263-L267 WeakPolarHBondContact O-CB 3.35Å; L263-L267 WeakPolarHBondContact O-CG 3.34Å; L263-L267 PolarHBondContact O-N 2.91Å |
| 264 | G | 88.4 | Confident | 84.8 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S260 F261 I262 L267 C268 | S260-G264 PolarHBondContact O-N 3.4Å; F261-G264 PolarHBondContact O-N 2.69Å; I262-G264 VanDerWaalsContact C-N 3.3Å; I262-G264 PolarHBondContact O-N 2.82Å; G264-L267 WeakPolarHBondContact O-CB 3.08Å; G264-L267 PolarHBondContact O-N 3.06Å; G264-C268 PolarHBondContact O-N 2.91Å |
| 265 | I | 88 | Confident | 82.5 | Confident | 71 Ų | 71 | 53.3 Ų | 53.3 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 174.5 | -66.6 | 169.4 | 0 | 0 | 0 | 111 | L108 F261 I262 L267 C268 N269 | L108-I265 HydrophobicContact CD2-CG1 4.39Å; F261-I265 HydrophobicContact CD1-CD1 3.76Å; F261-I265 HydrophobicContact CD1-CG1 4.48Å; F261-I265 HydrophobicContact CE1-CD1 3.61Å; F261-I265 HydrophobicContact CE1-CG1 4.4Å; F261-I265 WeakPolarHBondContact O-CG1 3.32Å; F261-I265 PolarHBondContact O-N 3.34Å; I262-I265 PolarHBondContact O-N 3.18Å; I265-L267 VanDerWaalsContact C-N 3.31Å; I265-L267 PolarHBondContact O-N 3.37Å; I265-C268 WeakPolarHBondContact O-CB 3.47Å; I265-C268 PolarHBondContact O-N 2.56Å; I265-N269 PolarHBondContact O-N 2.63Å; I265-N269 PolarHBondContact O-ND2 3.46Å |
| 266 | I | 86.1 | Confident | 79.7 | Confident | 57 Ų | 57 | 57 Ų | 57 | 29% | 0.292 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 176.8 | -66.7 | 167.8 | 0 | 0 | 0 | 110.5 | I12 L17 I262 L263 C268 N269 F270 | I12-I266 HydrophobicContact CD1-CG2 4.11Å; L17-I266 HydrophobicContact CD1-CG2 4.38Å; I262-I266 HydrophobicContact CG2-CD1 3.99Å; I262-I266 WeakPolarHBondContact O-CG1 3.13Å; I262-I266 PolarHBondContact O-N 2.9Å; L263-I266 PolarHBondContact O-N 3.14Å; I266-C268 VanDerWaalsContact C-N 3.35Å; I266-C268 PolarHBondContact O-N 2.94Å; I266-N269 PolarHBondContact O-N 2.92Å; I266-F270 WeakPolarHBondContact O-CB 3.34Å; I266-F270 PolarHBondContact O-N 3.22Å |
| 267 | L | 83.4 | Confident | 76.8 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 174.3 | -85.8 | 161 | 0 | 0 | 0 | 111.8 | L17 L86 L263 G264 I265 N269 F270 V271 | L17-L267 HydrophobicContact CD1-CD2 4.38Å; L17-L267 HydrophobicContact CD1-CG 4.26Å; L17-L267 HydrophobicContact CD2-CD2 3.27Å; L17-L267 HydrophobicContact CD2-CG 3.99Å; L17-L267 HydrophobicContact CG-CD2 3.8Å; L17-L267 HydrophobicContact CG-CG 4.2Å; L86-L267 HydrophobicContact CD1-CD2 3.88Å; L263-L267 HydrophobicContact CD2-CD1 3.97Å; L263-L267 HydrophobicContact CG-CD1 4.4Å; L263-L267 WeakPolarHBondContact O-CB 3.35Å; L263-L267 WeakPolarHBondContact O-CG 3.34Å; L263-L267 PolarHBondContact O-N 2.91Å; G264-L267 WeakPolarHBondContact O-CB 3.08Å; G264-L267 PolarHBondContact O-N 3.06Å; I265-L267 VanDerWaalsContact C-N 3.31Å; I265-L267 PolarHBondContact O-N 3.37Å; L267-N269 PolarHBondContact O-N 2.92Å; L267-F270 PolarHBondContact O-N 3.46Å; L267-V271 VanDerWaalsContact O-CG2 3.29Å; L267-V271 WeakPolarHBondContact O-CG2 3.32Å; L267-V271 PolarHBondContact O-N 3.14Å |
| 268 | C | 83 | Confident | 75.8 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 28% | 0.284 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.9 | -50 | 176.5 | -162 | 0 | 0 | 0 | 0 | 111 | V104 G264 I265 I266 F270 V271 V272 | V104-C268 HydrophobicContact CG1-CB 3.81Å; G264-C268 PolarHBondContact O-N 2.91Å; I265-C268 WeakPolarHBondContact O-CB 3.47Å; I265-C268 PolarHBondContact O-N 2.56Å; I266-C268 VanDerWaalsContact C-N 3.35Å; I266-C268 PolarHBondContact O-N 2.94Å; C268-F270 PolarHBondContact O-N 3.45Å; C268-V271 PolarHBondContact O-N 2.87Å; C268-V272 WeakPolarHBondContact O-CG2 3.19Å; C268-V272 PolarHBondContact O-N 2.98Å; C268-V272 VanDerWaalsContact O-N 3.13Å |
| 269 | N | 82.2 | Confident | 74.9 | Confident | 93 Ų | 93 | 69.1 Ų | 69.1 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 178.7 | -71.4 | -34.1 | 0 | 0 | 0 | 112.5 | I265 I266 L267 V271 V272 V273 | I265-N269 PolarHBondContact O-N 2.63Å; I265-N269 PolarHBondContact O-ND2 3.46Å; I266-N269 PolarHBondContact O-N 2.92Å; L267-N269 PolarHBondContact O-N 2.92Å; N269-V271 VanDerWaalsContact C-N 3.32Å; N269-V271 PolarHBondContact O-N 3.42Å; N269-V272 PolarHBondContact O-N 2.91Å; N269-V273 WeakPolarHBondContact O-CG2 3.44Å; N269-V273 PolarHBondContact O-N 2.83Å |
| 270 | F | 76.3 | Confident | 73.9 | Confident | 75 Ų | 75 | 67.8 Ų | 67.8 | 33% | 0.329 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 178.5 | -165.5 | -87.7 | 0 | 0 | 0 | 112.1 | R14 I266 L267 C268 V272 G274 | R14-F270 HydrophobicContact CG-CE1 3.96Å; R14-F270 HydrophobicContact CG-CZ 3.82Å; I266-F270 WeakPolarHBondContact O-CB 3.34Å; I266-F270 PolarHBondContact O-N 3.22Å; L267-F270 PolarHBondContact O-N 3.46Å; C268-F270 PolarHBondContact O-N 3.45Å; F270-V272 VanDerWaalsContact C-N 3.33Å; F270-G274 PolarHBondContact O-N 3.22Å; F270-G274 VanDerWaalsContact O-N 3.09Å |
| 271 | V | 72.7 | Confident | 72.7 | Confident | 7 Ų | 7 | 71.8 Ų | 71.8 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.5 | -33.7 | 175.8 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | L86 E97 V100 K101 L267 C268 N269 | L86-V271 HydrophobicContact CD2-CG2 4.15Å; E97-V271 HydrophobicContact CG-CG1 4.03Å; V100-V271 HydrophobicContact CG1-CG1 4.17Å; V100-V271 HydrophobicContact CG1-CG2 3.7Å; K101-V271 HydrophobicContact CG-CG1 4.03Å; L267-V271 VanDerWaalsContact O-CG2 3.29Å; L267-V271 WeakPolarHBondContact O-CG2 3.32Å; L267-V271 PolarHBondContact O-N 3.14Å; C268-V271 PolarHBondContact O-N 2.87Å; N269-V271 VanDerWaalsContact C-N 3.32Å; N269-V271 PolarHBondContact O-N 3.42Å |
| 272 | V | 66.4 | Low | 71.4 | Confident | 62 Ų | 62 | 71.7 Ų | 71.7 | 38% | 0.376 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -72.9 | -47.9 | 175.5 | 175.2 | 0 | 0 | 0 | 0 | 111.7 | C268 N269 F270 G274 E275 | C268-V272 WeakPolarHBondContact O-CG2 3.19Å; C268-V272 PolarHBondContact O-N 2.98Å; C268-V272 VanDerWaalsContact O-N 3.13Å; N269-V272 PolarHBondContact O-N 2.91Å; F270-V272 VanDerWaalsContact C-N 3.33Å; V272-G274 PolarHBondContact O-N 3.2Å; V272-E275 VanDerWaalsContact O-CB 3.3Å; V272-E275 WeakPolarHBondContact O-CB 3.42Å; V272-E275 PolarHBondContact O-N 3.15Å; V272-E275 VanDerWaalsContact O-N 3.1Å |
| 273 | V | 62.6 | Low | 70 | Confident | 80 Ų | 80 | 69.9 Ų | 69.9 | 49% | 0.485 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.8 | -21.9 | -177.4 | 176.7 | 0 | 0 | 0 | 0 | 112.4 | N269 E275 E276 | N269-V273 WeakPolarHBondContact O-CG2 3.44Å; N269-V273 PolarHBondContact O-N 2.83Å; V273-E275 PolarHBondContact O-N 3.39Å; V273-E276 PolarHBondContact O-N 3.25Å |
| 274 | G | 55.9 | Low | 68.6 | Low | 29 Ų | 29 | 74 Ų | 74 | 30% | 0.299 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -10.3 | 169 | 0 | 0 | 0 | 0 | 0 | 114.5 | F270 V272 E276 | F270-G274 PolarHBondContact O-N 3.22Å; F270-G274 VanDerWaalsContact O-N 3.09Å; V272-G274 PolarHBondContact O-N 3.2Å; G274-E276 VanDerWaalsContact C-N 3.31Å |
| 275 | E | 45.1 | Very low | 67.1 | Low | 125 Ų | 125 | 79.6 Ų | 79.6 | 58% | 0.584 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -18.2 | 169.3 | -74.1 | -177.9 | 97.2 | 0 | 0 | 113.8 | K101 V272 V273 | K101-E275 IonicContact NZ-OE2 3.48Å; K101-E275 PolarHBondContact NZ-OE2 3.45Å; V272-E275 VanDerWaalsContact O-CB 3.3Å; V272-E275 WeakPolarHBondContact O-CB 3.42Å; V272-E275 PolarHBondContact O-N 3.15Å; V272-E275 VanDerWaalsContact O-N 3.1Å; V273-E275 PolarHBondContact O-N 3.39Å |
| 276 | E | 37.6 | Very low | 65.4 | Low | 173 Ų | 173 | 80.3 Ų | 80.3 | 81% | 0.808 | 43% | 0.428 | S | S | * | . | trans | -104.1 | 6.3 | -170.4 | -67.8 | -162.6 | 162.6 | 0 | 0 | 115.9 | V273 G274 | V273-E276 PolarHBondContact O-N 3.25Å; G274-E276 VanDerWaalsContact C-N 3.31Å | ||
| 277 | I | 33.4 | Very low | 63.5 | Low | 214 Ų | 214 | 82.5 Ų | 82.5 | 100% | 1.097 | 44% | 0.44 | S | S | * | . | trans | -118.6 | 0 | 174.1 | -49.1 | 176.6 | 0 | 0 | 0 | 109.8 |
Retrieved 277 of 277 residues in 125.6 ms
(Link to these results)