| 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 | 28.6 | Very low | 28.5 | Very low | 253 Ų | 253 | 144.5 Ų | 144.5 | 100% | 1.246 | 75% | 0.749 | S | S | * | * | 0 | 89.5 | 0 | -73.5 | -172.7 | -178.1 | 0 | 0 | 108.6 | |||||
| 2 | A | 24 | Very low | 29.4 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 85% | 0.851 | 73% | 0.726 | S | S | * | * | trans | -101.1 | 119.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109 | S4 | A2-S4 PolarHBondContact O-N 3.25Š| ||
| 3 | R | 23.4 | Very low | 30.6 | Very low | 247 Ų | 247 | 134.3 Ų | 134.3 | 93% | 0.932 | 70% | 0.704 | S | S | * | * | trans | -73.4 | 114.6 | 167.8 | -82.1 | -180 | 168.9 | 168.6 | -3.4 | 108 | R5 | R3-R5 PolarHBondContact O-N 3.37Š| ||
| 4 | S | 26.1 | Very low | 31.9 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | trans | -56.5 | 115.9 | 168.7 | 177.5 | 0 | 0 | 0 | 0 | 109.5 | A2 S6 | A2-S4 PolarHBondContact O-N 3.25Å; S4-S6 PolarHBondContact O-N 3.35Å | ||
| 5 | R | 25.1 | Very low | 33.8 | Very low | 221 Ų | 221 | 143.1 Ų | 143.1 | 83% | 0.834 | 71% | 0.711 | S | S | * | * | trans | -81.3 | 94.6 | 167.7 | -108.6 | 179.8 | 167.6 | 177.2 | -2.2 | 107.4 | R3 D7 | R3-R5 PolarHBondContact O-N 3.37Å; R5-D7 VanDerWaalsContact C-N 3.28Å; R5-D7 PolarHBondContact O-N 3.44Å | ||
| 6 | S | 27.5 | Very low | 36.5 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 71% | 0.713 | 69% | 0.685 | S | S | * | * | trans | -93.4 | 47.7 | 171.1 | 69.6 | 0 | 0 | 0 | 0 | 111.5 | S4 | S4-S6 PolarHBondContact O-N 3.35Š| ||
| 7 | D | 28.1 | Very low | 39.2 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 70% | 0.701 | 68% | 0.679 | S | S | * | * | trans | -114.7 | 65.8 | 180 | -69.9 | -31.7 | 0 | 0 | 0 | 110 | R5 | R5-D7 VanDerWaalsContact C-N 3.28Å; R5-D7 PolarHBondContact O-N 3.44Å | ||
| 8 | F | 30.4 | Very low | 41.8 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 79% | 0.789 | 69% | 0.686 | S | S | * | * | trans | -140 | 101.3 | 165.4 | -78.7 | -80.3 | 0 | 0 | 0 | 108.3 | ||||
| 9 | L | 30.3 | Very low | 44.3 | Very low | 83 Ų | 83 | 130.8 Ų | 130.8 | 44% | 0.435 | 65% | 0.65 | S | S | . | * | trans | 156.8 | 98.7 | 150.4 | -83.7 | 168.3 | 0 | 0 | 0 | 109.2 | L11 | L9-L11 HydrophobicContact CB-CD1 4.1Å; L9-L11 HydrophobicContact CB-CG 4.1Å; L9-L11 HydrophobicContact CD1-CD1 3.93Å; L9-L11 HydrophobicContact CD2-CD1 3.92Å; L9-L11 HydrophobicContact CD2-CG 4.01Å; L9-L11 HydrophobicContact CG-CD1 4.19Å; L9-L11 HydrophobicContact CG-CG 4.48Å; L9-L11 PolarHBondContact O-N 2.86Å | ||
| 10 | P | 31.7 | Very low | 46.5 | Very low | 111 Ų | 111 | 125 Ų | 125 | 72% | 0.721 | 62% | 0.621 | S | S | * | * | trans | -81.5 | 71.2 | 169.4 | 33.6 | -30.2 | 0 | 0 | 0 | 109.1 | L12 | P10-L12 VanDerWaalsContact C-N 3.34Å; P10-L12 PolarHBondContact O-N 3.34Å | ||
| 11 | L | 37.8 | Very low | 48.5 | Very low | 49 Ų | 49 | 121.2 Ų | 121.2 | 26% | 0.257 | 61% | 0.606 | S | S | . | * | trans | -86.7 | 10.6 | -173.4 | -82.4 | 174.2 | 0 | 0 | 0 | 116 | L9 A387 S390 F456 | L9-L11 HydrophobicContact CB-CD1 4.1Å; L9-L11 HydrophobicContact CB-CG 4.1Å; L9-L11 HydrophobicContact CD1-CD1 3.93Å; L9-L11 HydrophobicContact CD2-CD1 3.92Å; L9-L11 HydrophobicContact CD2-CG 4.01Å; L9-L11 HydrophobicContact CG-CD1 4.19Å; L9-L11 HydrophobicContact CG-CG 4.48Å; L9-L11 PolarHBondContact O-N 2.86Å; L11-A387 HydrophobicContact CD1-CB 4.47Å; L11-S390 VanDerWaalsContact CD1-CB 3.45Å; L11-F456 HydrophobicContact CD2-CZ 4.23Å | ||
| 12 | L | 40.4 | Very low | 51.6 | Low | 89 Ų | 89 | 110.3 Ų | 110.3 | 47% | 0.466 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -147.3 | 137.8 | 166.4 | -69.8 | 172.9 | 0 | 0 | 0 | 109.4 | P10 R14 | P10-L12 VanDerWaalsContact C-N 3.34Å; P10-L12 PolarHBondContact O-N 3.34Å; L12-R14 PolarHBondContact O-N 3.37Å |
| 13 | P | 44.6 | Very low | 54.8 | Low | 68 Ų | 68 | 105.4 Ų | 105.4 | 44% | 0.442 | 51% | 0.512 | S | S | . | . | trans | -50.1 | 133.5 | 161.2 | -19.1 | 29.4 | 0 | 0 | 0 | 107.7 | R15 | P13-R15 PolarHBondContact O-N 3.33Š| ||
| 14 | R | 48.1 | Very low | 58 | Low | 251 Ų | 251 | 99 Ų | 99 | 95% | 0.947 | 49% | 0.491 | S | S | * | . | trans | -39.1 | 103.5 | 175.8 | -96.5 | 179.8 | 169.1 | 177.3 | -2.6 | 108.9 | L12 N16 | L12-R14 PolarHBondContact O-N 3.37Å; R14-N16 PolarHBondContact O-N 2.87Å | ||
| 15 | R | 61.3 | Low | 61 | Low | 150 Ų | 150 | 103.5 Ų | 103.5 | 57% | 0.566 | 49% | 0.491 | S | S | * | . | trans | -57.5 | 114.9 | -176 | -79.4 | -174.1 | 163.7 | 170.7 | -3.3 | 107.6 | P13 A17 Y38 | P13-R15 PolarHBondContact O-N 3.33Å; R15-A17 PolarHBondContact O-N 2.65Å; R15-Y38 WeakPolarHBondContact CG-OH 3.23Å | ||
| 16 | N | 76.7 | Confident | 64 | Low | 56 Ų | 56 | 97.9 Ų | 97.9 | 30% | 0.299 | 48% | 0.477 | S | S | . | . | trans | -67.3 | 101.7 | 173.8 | -178.1 | -29.2 | 0 | 0 | 0 | 107.3 | R14 R18 L19 D20 Y54 | R14-N16 PolarHBondContact O-N 2.87Å; N16-R18 PolarHBondContact O-N 3.31Å; N16-R18 VanDerWaalsContact O-N 3.07Å; N16-R18 WeakPolarHBondContact OD1-CB 3.48Å; N16-R18 PolarHBondContact OD1-N 3.29Å; N16-R18 VanDerWaalsContact OD1-N 3.1Å; N16-L19 HydrophobicContact CB-CB 3.99Å; N16-L19 PolarHBondContact O-N 3.35Å; N16-L19 PolarHBondContact OD1-N 3.27Å; N16-D20 PolarHBondContact O-N 3.25Å; N16-Y54 PolarHBondContact ND2-OH 3.27Å | ||
| 17 | A | 82.1 | Confident | 66.9 | Low | 70 Ų | 70 | 93.9 Ų | 93.9 | 58% | 0.579 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -55.9 | -30.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R15 S21 | R15-A17 PolarHBondContact O-N 2.65Å; A17-S21 VanDerWaalsContact O-CB 3.25Å; A17-S21 WeakPolarHBondContact O-CB 3.39Å; A17-S21 PolarHBondContact O-N 3.1Å; A17-S21 PolarHBondContact O-OG 3.41Å |
| 18 | R | 86.2 | Confident | 69.7 | Low | 212 Ų | 212 | 95 Ų | 95 | 80% | 0.8 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -70.6 | -45.7 | 175.9 | -64 | -176.9 | 178.3 | 178.5 | -0.2 | 111.4 | N16 F22 | N16-R18 PolarHBondContact O-N 3.31Å; N16-R18 VanDerWaalsContact O-N 3.07Å; N16-R18 WeakPolarHBondContact OD1-CB 3.48Å; N16-R18 PolarHBondContact OD1-N 3.29Å; N16-R18 VanDerWaalsContact OD1-N 3.1Å; R18-F22 WeakPolarHBondContact O-CB 3.36Å; R18-F22 PolarHBondContact O-N 2.94Å |
| 19 | L | 88.6 | Confident | 72.2 | Confident | 1 Ų | 1 | 95.1 Ų | 95.1 | 1% | 0.005 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 176.7 | 179.3 | 60.9 | 0 | 0 | 0 | 111.4 | N16 S21 F22 L23 Y38 Y54 T65 P69 | N16-L19 HydrophobicContact CB-CB 3.99Å; N16-L19 PolarHBondContact O-N 3.35Å; N16-L19 PolarHBondContact OD1-N 3.27Å; L19-S21 VanDerWaalsContact C-N 3.34Å; L19-S21 PolarHBondContact O-N 3.19Å; L19-F22 HydrophobicContact CD1-CD1 4.21Å; L19-F22 WeakPolarHBondContact O-CB 3.19Å; L19-F22 PolarHBondContact O-N 3.11Å; L19-F22 VanDerWaalsContact O-N 3.13Å; L19-L23 HydrophobicContact CD1-CD1 4.31Å; L19-L23 HydrophobicContact CD1-CG 4.19Å; L19-L23 HydrophobicContact CG-CD1 4.09Å; L19-L23 HydrophobicContact CG-CG 4.4Å; L19-L23 WeakPolarHBondContact O-CG 3.49Å; L19-L23 PolarHBondContact O-N 3.01Å; L19-Y38 HydrophobicContact CD2-CD2 3.38Å; L19-Y38 HydrophobicContact CD2-CE2 3.79Å; L19-Y38 HydrophobicContact CD2-CG 3.91Å; L19-Y38 HydrophobicContact CG-CD2 4.35Å; L19-Y38 HydrophobicContact CG-CE2 4.44Å; L19-Y54 HydrophobicContact CD1-CD2 4.26Å; L19-Y54 HydrophobicContact CD1-CG 4.48Å; L19-Y54 HydrophobicContact CD2-CD1 3.5Å; L19-Y54 HydrophobicContact CD2-CD2 4.01Å; L19-Y54 HydrophobicContact CD2-CE1 3.78Å; L19-Y54 HydrophobicContact CD2-CE2 4.24Å; L19-Y54 HydrophobicContact CD2-CG 3.61Å; L19-T65 HydrophobicContact CD1-CG2 3.89Å; L19-P69 HydrophobicContact CD1-CB 4.03Å; L19-P69 HydrophobicContact CD1-CG 4.17Å |
| 20 | D | 88.8 | Confident | 74.6 | Confident | 14 Ų | 14 | 94.1 Ų | 94.1 | 8% | 0.075 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 177.2 | -172 | 64.9 | 0 | 0 | 0 | 111.5 | N16 F22 L23 K24 Y32 | N16-D20 PolarHBondContact O-N 3.25Å; D20-F22 VanDerWaalsContact C-N 3.32Å; D20-F22 PolarHBondContact O-N 3.39Å; D20-L23 PolarHBondContact O-N 3.1Å; D20-K24 WeakPolarHBondContact O-CB 3.41Å; D20-K24 WeakPolarHBondContact O-CG 3.37Å; D20-K24 PolarHBondContact O-N 3.31Å; D20-K24 WeakPolarHBondContact OD2-CE 3.21Å; D20-K24 IonicContact OD2-NZ 3.12Å; D20-K24 PolarHBondContact OD2-NZ 2.99Å; D20-Y32 PolarHBondContact OD1-OH 3.35Å |
| 21 | S | 89.1 | Confident | 77.2 | Confident | 45 Ų | 45 | 90.4 Ų | 90.4 | 32% | 0.315 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 174.2 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | A17 L19 R25 | A17-S21 VanDerWaalsContact O-CB 3.25Å; A17-S21 WeakPolarHBondContact O-CB 3.39Å; A17-S21 PolarHBondContact O-N 3.1Å; A17-S21 PolarHBondContact O-OG 3.41Å; L19-S21 VanDerWaalsContact C-N 3.34Å; L19-S21 PolarHBondContact O-N 3.19Å; S21-R25 WeakPolarHBondContact O-CB 3.37Å; S21-R25 WeakPolarHBondContact O-CD 3.33Å; S21-R25 VanDerWaalsContact O-CG 3.22Å; S21-R25 WeakPolarHBondContact O-CG 3.38Å; S21-R25 PolarHBondContact O-N 2.77Å |
| 22 | F | 92.6 | Very high | 79.5 | Confident | 25 Ų | 25 | 90.6 Ų | 90.6 | 11% | 0.11 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.4 | -50.4 | 174.6 | 169 | -94.3 | 0 | 0 | 0 | 111 | R18 L19 D20 R25 N26 P69 L72 | R18-F22 WeakPolarHBondContact O-CB 3.36Å; R18-F22 PolarHBondContact O-N 2.94Å; L19-F22 HydrophobicContact CD1-CD1 4.21Å; L19-F22 WeakPolarHBondContact O-CB 3.19Å; L19-F22 PolarHBondContact O-N 3.11Å; L19-F22 VanDerWaalsContact O-N 3.13Å; D20-F22 VanDerWaalsContact C-N 3.32Å; D20-F22 PolarHBondContact O-N 3.39Å; F22-R25 PolarHBondContact O-N 2.81Å; F22-N26 VanDerWaalsContact CD2-ND2 3.26Å; F22-N26 WeakPolarHBondContact CD2-ND2 3.43Å; F22-N26 HydrophobicContact CE2-CB 4.19Å; F22-N26 WeakPolarHBondContact CE2-ND2 3.41Å; F22-N26 HydrophobicContact CZ-CB 4.2Å; F22-N26 WeakPolarHBondContact O-CB 3.41Å; F22-N26 PolarHBondContact O-N 3.33Å; F22-N26 PolarHBondContact O-ND2 3.02Å; F22-P69 HydrophobicContact CB-CB 4.41Å; F22-P69 HydrophobicContact CB-CG 4.14Å; F22-P69 HydrophobicContact CD1-CB 3.75Å; F22-P69 HydrophobicContact CD1-CG 4.38Å; F22-P69 HydrophobicContact CD2-CB 4.14Å; F22-P69 HydrophobicContact CD2-CG 4.47Å; F22-P69 HydrophobicContact CE1-CB 4Å; F22-P69 HydrophobicContact CE2-CB 4.38Å; F22-P69 HydrophobicContact CG-CB 3.83Å; F22-P69 HydrophobicContact CG-CG 4.08Å; F22-P69 HydrophobicContact CZ-CB 4.31Å; F22-L72 HydrophobicContact CE1-CB 4.34Å |
| 23 | L | 91.8 | Very high | 81.5 | Confident | 0 Ų | 0 | 89.5 Ų | 89.5 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.1 | -49.6 | 179.7 | -67.2 | 171.1 | 0 | 0 | 0 | 110.8 | L19 D20 R25 N26 T27 Y32 I35 Y38 V56 L72 | L19-L23 HydrophobicContact CD1-CD1 4.31Å; L19-L23 HydrophobicContact CD1-CG 4.19Å; L19-L23 HydrophobicContact CG-CD1 4.09Å; L19-L23 HydrophobicContact CG-CG 4.4Å; L19-L23 WeakPolarHBondContact O-CG 3.49Å; L19-L23 PolarHBondContact O-N 3.01Å; D20-L23 PolarHBondContact O-N 3.1Å; L23-R25 PolarHBondContact O-N 3.28Å; L23-R25 VanDerWaalsContact O-N 3.14Å; L23-N26 PolarHBondContact O-N 2.86Å; L23-T27 PolarHBondContact O-N 3.2Å; L23-T27 PolarHBondContact O-OG1 3.48Å; L23-Y32 HydrophobicContact CB-CD2 3.99Å; L23-Y32 HydrophobicContact CB-CE2 4.03Å; L23-I35 HydrophobicContact CB-CD1 4.33Å; L23-I35 HydrophobicContact CD1-CD1 4.08Å; L23-I35 HydrophobicContact CD2-CD1 4.29Å; L23-I35 HydrophobicContact CG-CD1 4.46Å; L23-Y38 HydrophobicContact CD1-CD1 3.91Å; L23-Y38 HydrophobicContact CD1-CE1 4.16Å; L23-V56 HydrophobicContact CD1-CG1 4.32Å; L23-V56 HydrophobicContact CD2-CG1 4.29Å; L23-V56 HydrophobicContact CD2-CG2 4.36Å; L23-L72 HydrophobicContact CD2-CD1 3.99Å; L23-L72 HydrophobicContact CD2-CD2 4.17Å |
| 24 | K | 90 | Very high | 83.3 | Confident | 112 Ų | 112 | 89.7 Ų | 89.7 | 49% | 0.487 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -53.3 | -37.3 | 176.6 | -77.1 | 176.2 | 177.4 | 159.8 | 0 | 113.9 | D20 Y32 | D20-K24 WeakPolarHBondContact O-CB 3.41Å; D20-K24 WeakPolarHBondContact O-CG 3.37Å; D20-K24 PolarHBondContact O-N 3.31Å; D20-K24 WeakPolarHBondContact OD2-CE 3.21Å; D20-K24 IonicContact OD2-NZ 3.12Å; D20-K24 PolarHBondContact OD2-NZ 2.99Å; K24-Y32 HydrophobicContact CB-CE2 4.43Å; K24-Y32 HydrophobicContact CD-CE1 4.43Å; K24-Y32 VanDerWaalsContact CE-CZ 3.47Å; K24-Y32 WeakPolarHBondContact CE-OH 3.3Å; K24-Y32 HydrophobicContact CG-CD1 4.21Å; K24-Y32 HydrophobicContact CG-CD2 3.96Å; K24-Y32 HydrophobicContact CG-CE1 3.74Å; K24-Y32 HydrophobicContact CG-CE2 3.47Å; K24-Y32 VanDerWaalsContact CG-CE2 3.47Å; K24-Y32 HydrophobicContact CG-CG 4.33Å |
| 25 | R | 89.2 | Confident | 85.2 | Confident | 204 Ų | 204 | 78.9 Ų | 78.9 | 77% | 0.77 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -86.7 | -26.9 | -176.5 | -69.2 | 173.4 | -172.1 | 172.9 | 2.5 | 113.6 | S21 F22 L23 | S21-R25 WeakPolarHBondContact O-CB 3.37Å; S21-R25 WeakPolarHBondContact O-CD 3.33Å; S21-R25 VanDerWaalsContact O-CG 3.22Å; S21-R25 WeakPolarHBondContact O-CG 3.38Å; S21-R25 PolarHBondContact O-N 2.77Å; F22-R25 PolarHBondContact O-N 2.81Å; L23-R25 PolarHBondContact O-N 3.28Å; L23-R25 VanDerWaalsContact O-N 3.14Å |
| 26 | N | 88 | Confident | 86.4 | Confident | 102 Ų | 102 | 72.4 Ų | 72.4 | 55% | 0.545 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -112.9 | 1.2 | -169.1 | -65.4 | -85.8 | 0 | 0 | 0 | 113.9 | F22 L23 | F22-N26 VanDerWaalsContact CD2-ND2 3.26Å; F22-N26 WeakPolarHBondContact CD2-ND2 3.43Å; F22-N26 HydrophobicContact CE2-CB 4.19Å; F22-N26 WeakPolarHBondContact CE2-ND2 3.41Å; F22-N26 HydrophobicContact CZ-CB 4.2Å; F22-N26 WeakPolarHBondContact O-CB 3.41Å; F22-N26 PolarHBondContact O-N 3.33Å; F22-N26 PolarHBondContact O-ND2 3.02Å; L23-N26 PolarHBondContact O-N 2.86Å |
| 27 | T | 88.8 | Confident | 86.9 | Confident | 19 Ų | 19 | 70.3 Ų | 70.3 | 12% | 0.117 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -119.9 | 150.9 | 172.9 | 63.2 | 0 | 0 | 0 | 0 | 111.3 | L23 L31 Y32 L72 | L23-T27 PolarHBondContact O-N 3.2Å; L23-T27 PolarHBondContact O-OG1 3.48Å; T27-L31 HydrophobicContact CG2-CD2 3.99Å; T27-Y32 WeakPolarHBondContact OG1-CB 3.34Å; T27-L72 HydrophobicContact CG2-CD2 3.34Å |
| 28 | E | 87.7 | Confident | 87.3 | Confident | 154 Ų | 154 | 68.5 Ų | 68.5 | 72% | 0.72 | 31% | 0.308 | S | S | * | . | trans | -56.3 | 144.7 | 167.8 | -66.5 | 177.5 | -172 | 0 | 0 | 110.6 | A30 L31 Y32 | E28-A30 PolarHBondContact O-N 2.99Å; E28-L31 HydrophobicContact CB-CB 4.46Å; E28-L31 WeakPolarHBondContact O-CB 3.49Å; E28-L31 PolarHBondContact O-N 3.23Å; E28-Y32 PolarHBondContact O-N 3.01Å | ||
| 29 | R | 82.4 | Confident | 87.5 | Confident | 182 Ų | 182 | 58.9 Ų | 58.9 | 69% | 0.687 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -54 | -42.7 | -179.2 | -177.8 | 176.4 | 178.8 | 164.8 | 2.8 | 112.1 | L31 Y32 E33 | R29-L31 VanDerWaalsContact C-N 3.31Å; R29-L31 PolarHBondContact O-N 3.27Å; R29-Y32 PolarHBondContact O-N 3.5Å; R29-E33 HydrophobicContact CG-CG 4.44Å; R29-E33 WeakPolarHBondContact CG-OE1 3.19Å; R29-E33 IonicContact CZ-OE1 3.22Å; R29-E33 IonicContact NE-OE1 3.64Å; R29-E33 PolarHBondContact NE-OE1 2.98Å; R29-E33 IonicContact NH2-OE1 2.71Å; R29-E33 WeakPolarHBondContact O-CG 3.49Å; R29-E33 PolarHBondContact O-N 3.44Å |
| 30 | A | 80.8 | Confident | 87.7 | Confident | 62 Ų | 62 | 61.1 Ų | 61.1 | 51% | 0.512 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E28 R34 | E28-A30 PolarHBondContact O-N 2.99Å; A30-R34 WeakPolarHBondContact O-CD 3.41Å; A30-R34 WeakPolarHBondContact O-CG 3.26Å |
| 31 | L | 85.6 | Confident | 87.8 | Confident | 34 Ų | 34 | 60.4 Ų | 60.4 | 18% | 0.178 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70 | -46.4 | 175.6 | 178.5 | 60.8 | 0 | 0 | 0 | 111.1 | T27 E28 R29 E33 R34 I35 Y63 | T27-L31 HydrophobicContact CG2-CD2 3.99Å; E28-L31 HydrophobicContact CB-CB 4.46Å; E28-L31 WeakPolarHBondContact O-CB 3.49Å; E28-L31 PolarHBondContact O-N 3.23Å; R29-L31 VanDerWaalsContact C-N 3.31Å; R29-L31 PolarHBondContact O-N 3.27Å; L31-E33 VanDerWaalsContact C-N 3.3Å; L31-E33 PolarHBondContact O-N 3.32Å; L31-R34 WeakPolarHBondContact O-CA 3.49Å; L31-R34 WeakPolarHBondContact O-CB 3.12Å; L31-R34 PolarHBondContact O-N 2.9Å; L31-I35 PolarHBondContact O-N 3.36Å; L31-Y63 HydrophobicContact CD1-CE2 4.03Å; L31-Y63 WeakPolarHBondContact CD1-OH 3.3Å; L31-Y63 HydrophobicContact CD2-CE1 4.43Å; L31-Y63 HydrophobicContact CD2-CE2 4.49Å |
| 32 | Y | 86.5 | Confident | 88.1 | Confident | 53 Ų | 53 | 59 Ų | 59 | 21% | 0.208 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.5 | -44.5 | 179.7 | -178.8 | -101.8 | 0 | 0 | 0 | 111.9 | D20 L23 K24 T27 E28 R29 R34 I35 | D20-Y32 PolarHBondContact OD1-OH 3.35Å; L23-Y32 HydrophobicContact CB-CD2 3.99Å; L23-Y32 HydrophobicContact CB-CE2 4.03Å; K24-Y32 HydrophobicContact CB-CE2 4.43Å; K24-Y32 HydrophobicContact CD-CE1 4.43Å; K24-Y32 VanDerWaalsContact CE-CZ 3.47Å; K24-Y32 WeakPolarHBondContact CE-OH 3.3Å; K24-Y32 HydrophobicContact CG-CD1 4.21Å; K24-Y32 HydrophobicContact CG-CD2 3.96Å; K24-Y32 HydrophobicContact CG-CE1 3.74Å; K24-Y32 HydrophobicContact CG-CE2 3.47Å; K24-Y32 VanDerWaalsContact CG-CE2 3.47Å; K24-Y32 HydrophobicContact CG-CG 4.33Å; T27-Y32 WeakPolarHBondContact OG1-CB 3.34Å; E28-Y32 PolarHBondContact O-N 3.01Å; R29-Y32 PolarHBondContact O-N 3.5Å; Y32-R34 PolarHBondContact O-N 3.19Å; Y32-I35 HydrophobicContact CD2-CD1 4.05Å; Y32-I35 WeakPolarHBondContact O-CB 3.37Å; Y32-I35 PolarHBondContact O-N 3.06Å |
| 33 | E | 82.1 | Confident | 88.2 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 30% | 0.304 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.8 | -18.8 | 178.8 | -71.9 | 176.5 | -175 | 0 | 0 | 113.2 | R29 L31 R331 | R29-E33 HydrophobicContact CG-CG 4.44Å; R29-E33 WeakPolarHBondContact CG-OE1 3.19Å; R29-E33 IonicContact CZ-OE1 3.22Å; R29-E33 IonicContact NE-OE1 3.64Å; R29-E33 PolarHBondContact NE-OE1 2.98Å; R29-E33 IonicContact NH2-OE1 2.71Å; R29-E33 WeakPolarHBondContact O-CG 3.49Å; R29-E33 PolarHBondContact O-N 3.44Å; L31-E33 VanDerWaalsContact C-N 3.3Å; L31-E33 PolarHBondContact O-N 3.32Å; E33-R331 VanDerWaalsContact O-CZ 3.29Å; E33-R331 PolarHBondContact O-NH1 2.76Å; E33-R331 PolarHBondContact O-NH2 2.97Å |
| 34 | R | 83.2 | Confident | 88.3 | Confident | 72 Ų | 72 | 59.1 Ų | 59.1 | 27% | 0.272 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -96.8 | -4.9 | 179.1 | -66.3 | 168.9 | 73.9 | -175.2 | 7.8 | 113.6 | A30 L31 Y32 R36 D59 E60 | A30-R34 WeakPolarHBondContact O-CD 3.41Å; A30-R34 WeakPolarHBondContact O-CG 3.26Å; L31-R34 WeakPolarHBondContact O-CA 3.49Å; L31-R34 WeakPolarHBondContact O-CB 3.12Å; L31-R34 PolarHBondContact O-N 2.9Å; Y32-R34 PolarHBondContact O-N 3.19Å; R34-R36 PolarHBondContact O-N 3.18Å; R34-R36 PolarHBondContact O-NE 2.88Å; R34-D59 WeakPolarHBondContact CB-OD1 3.48Å; R34-D59 IonicContact CZ-OD1 3.91Å; R34-D59 IonicContact CZ-OD2 3.69Å; R34-D59 VanDerWaalsContact CZ-OD2 3.22Å; R34-D59 IonicContact NE-OD1 3.03Å; R34-D59 PolarHBondContact NE-OD1 2.97Å; R34-D59 IonicContact NE-OD2 3.62Å; R34-D59 PolarHBondContact NE-OD2 3.13Å; R34-D59 IonicContact NH2-OD1 3.33Å; R34-D59 PolarHBondContact NH2-OD1 3.08Å; R34-D59 IonicContact NH2-OD2 2.68Å; R34-D59 PolarHBondContact NH2-OD2 2.88Å; R34-E60 IonicContact CZ-OE1 3.37Å; R34-E60 IonicContact NH1-OE1 3.41Å; R34-E60 PolarHBondContact NH1-OE1 2.69Å; R34-E60 IonicContact NH1-OE2 3.3Å; R34-E60 IonicContact NH2-OE1 2.68Å; R34-E60 PolarHBondContact NH2-OE1 3.44Å |
| 35 | I | 87.9 | Confident | 88.4 | Confident | 24 Ų | 24 | 54.5 Ų | 54.5 | 12% | 0.123 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 129.7 | 174.3 | -63.9 | 176.4 | 0 | 0 | 0 | 109 | L23 L31 Y32 Y38 V56 | L23-I35 HydrophobicContact CB-CD1 4.33Å; L23-I35 HydrophobicContact CD1-CD1 4.08Å; L23-I35 HydrophobicContact CD2-CD1 4.29Å; L23-I35 HydrophobicContact CG-CD1 4.46Å; L31-I35 PolarHBondContact O-N 3.36Å; Y32-I35 HydrophobicContact CD2-CD1 4.05Å; Y32-I35 WeakPolarHBondContact O-CB 3.37Å; Y32-I35 PolarHBondContact O-N 3.06Å; I35-Y38 HydrophobicContact CG2-CD1 4.28Å; I35-V56 HydrophobicContact CD1-CG1 4.06Å; I35-V56 HydrophobicContact CG1-CG1 4.32Å; I35-V56 HydrophobicContact CG2-CG1 3.93Å |
| 36 | R | 85.9 | Confident | 88.2 | Confident | 15 Ų | 15 | 51 Ų | 51 | 6% | 0.057 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -51.8 | -175 | -57.2 | -61.6 | 178.7 | 165.1 | -3 | 111.9 | R34 L57 E382 E384 V385 | R34-R36 PolarHBondContact O-N 3.18Å; R34-R36 PolarHBondContact O-NE 2.88Å; R36-L57 HydrophobicContact CB-CG 4.47Å; R36-L57 PolarHBondContact N-O 3.37Å; R36-E382 PolarHBondContact NH1-O 3.48Å; R36-E382 PolarHBondContact NH2-O 2.7Å; R36-E384 IonicContact CZ-OE1 3.5Å; R36-E384 IonicContact NE-OE1 2.79Å; R36-E384 IonicContact NH1-OE1 3.29Å; R36-V385 HydrophobicContact CB-CG1 3.96Å; R36-V385 VanDerWaalsContact O-CG1 3.29Å; R36-V385 WeakPolarHBondContact O-CG1 3.48Å |
| 37 | T | 88.1 | Confident | 88.1 | Confident | 11 Ų | 11 | 48.6 Ų | 48.6 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 162.3 | 177.1 | -170.6 | 0 | 0 | 0 | 0 | 109.8 | L57 L252 H255 | T37-L57 HydrophobicContact CG2-CB 4.06Å; T37-L57 HydrophobicContact CG2-CD2 4.14Å; T37-L57 PolarHBondContact O-N 3.23Å; T37-L252 HydrophobicContact CG2-CD1 3.78Å; T37-H255 HydrophobicContact CG2-CB 3.71Å |
| 38 | Y | 90.5 | Very high | 88 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 13% | 0.125 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 137.8 | 166.5 | 51.8 | -100.7 | 0 | 0 | 0 | 109.4 | R15 L19 L23 I35 A55 | R15-Y38 WeakPolarHBondContact CG-OH 3.23Å; L19-Y38 HydrophobicContact CD2-CD2 3.38Å; L19-Y38 HydrophobicContact CD2-CE2 3.79Å; L19-Y38 HydrophobicContact CD2-CG 3.91Å; L19-Y38 HydrophobicContact CG-CD2 4.35Å; L19-Y38 HydrophobicContact CG-CE2 4.44Å; L23-Y38 HydrophobicContact CD1-CD1 3.91Å; L23-Y38 HydrophobicContact CD1-CE1 4.16Å; I35-Y38 HydrophobicContact CG2-CD1 4.28Å; Y38-A55 CarbonylContact C-O 3.58Å; Y38-A55 WeakPolarHBondContact CA-O 3.46Å; Y38-A55 WeakPolarHBondContact CB-O 3.17Å |
| 39 | E | 90.7 | Very high | 88.2 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 144.6 | -179.9 | -69.2 | -167.4 | -140.3 | 0 | 0 | 110.6 | Y54 A55 V245 S250 T251 L252 | E39-Y54 WeakPolarHBondContact O-CA 3.47Å; E39-A55 PolarHBondContact N-O 2.84Å; E39-A55 PolarHBondContact O-N 3.42Å; E39-V245 HydrophobicContact CB-CG1 4.5Å; E39-V245 WeakPolarHBondContact OE2-CG1 3.29Å; E39-S250 PolarHBondContact OE1-OG 2.92Å; E39-S250 WeakPolarHBondContact OE2-CA 3.49Å; E39-S250 WeakPolarHBondContact OE2-CB 3.26Å; E39-S250 PolarHBondContact OE2-OG 3.28Å; E39-T251 PolarHBondContact OE1-N 3.15Å; E39-L252 HydrophobicContact CB-CD2 4.45Å; E39-L252 HydrophobicContact CG-CB 4.45Å; E39-L252 PolarHBondContact OE1-N 3.21Å |
| 40 | P | 91.4 | Very high | 88.6 | Confident | 48 Ų | 48 | 42.2 Ų | 42.2 | 31% | 0.312 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 136.7 | 171.8 | 30.2 | -32.5 | 0 | 0 | 0 | 110.7 | Y52 M53 Y54 | P40-Y52 HydrophobicContact CB-CE1 4.29Å; P40-Y52 HydrophobicContact CB-CE2 4.26Å; P40-Y52 VanDerWaalsContact CB-OH 3.31Å; P40-Y52 WeakPolarHBondContact CB-OH 3.38Å; P40-M53 CarbonylContact C-O 3.52Å; P40-M53 WeakPolarHBondContact CA-O 3.38Å; P40-Y54 HydrophobicContact CB-CD1 3.91Å; P40-Y54 HydrophobicContact CB-CE1 3.81Å; P40-Y54 HydrophobicContact CG-CE1 4.26Å |
| 41 | C | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 159.3 | -179.5 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | M53 Y244 V245 | C41-M53 PolarHBondContact N-O 3.43Å; C41-M53 PolarHBondContact O-N 3.43Å; C41-Y244 CarbonylContact C-O 3.58Å; C41-Y244 VanDerWaalsContact CA-O 3.29Å; C41-Y244 WeakPolarHBondContact CA-O 3.19Å; C41-Y244 WeakPolarHBondContact CB-O 3.38Å; C41-V245 HydrophobicContact CB-CG2 3.99Å |
| 42 | V | 94.3 | Very high | 89.4 | Confident | 15 Ų | 15 | 45.9 Ų | 45.9 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 128.1 | 162.7 | -179.2 | 0 | 0 | 0 | 0 | 108 | K50 Y52 F93 L94 Y244 | V42-K50 HydrophobicContact CG1-CB 4.17Å; V42-Y52 HydrophobicContact CG2-CD2 4.01Å; V42-F93 HydrophobicContact CB-CE2 4.19Å; V42-F93 HydrophobicContact CG1-CE2 3.83Å; V42-F93 HydrophobicContact CG1-CZ 4.43Å; V42-F93 HydrophobicContact CG2-CE2 4.46Å; V42-L94 HydrophobicContact CG2-CD2 4.38Å; V42-Y244 PolarHBondContact N-O 3.15Å; V42-Y244 PolarHBondContact O-N 3.23Å |
| 43 | V | 94.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132.7 | -178.7 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | I48 K50 V51 M53 L64 L241 H242 L243 | V43-I48 HydrophobicContact CB-CG2 4.2Å; V43-I48 HydrophobicContact CG1-CB 4.48Å; V43-I48 HydrophobicContact CG1-CD1 4.28Å; V43-I48 HydrophobicContact CG1-CG2 4.09Å; V43-K50 WeakPolarHBondContact O-CA 3.42Å; V43-K50 PolarHBondContact O-N 2.75Å; V43-V51 PolarHBondContact N-O 3.41Å; V43-V51 PolarHBondContact O-N 3.2Å; V43-M53 HydrophobicContact CG2-CB 3.95Å; V43-M53 HydrophobicContact CG2-CG 4.33Å; V43-M53 HydrophobicContact CG2-SD 4.25Å; V43-L64 HydrophobicContact CG1-CD1 3.87Å; V43-L64 HydrophobicContact CG2-CD1 4.34Å; V43-L64 HydrophobicContact CG2-CD2 3.77Å; V43-L241 HydrophobicContact CG1-CD1 3.65Å; V43-H242 WeakPolarHBondContact CA-O 3.35Å; V43-L243 HydrophobicContact CG1-CD2 4.36Å; V43-L243 HydrophobicContact CG2-CD2 3.97Å |
| 44 | V | 94.1 | Very high | 90.2 | Very high | 27 Ų | 27 | 41.1 Ų | 41.1 | 16% | 0.164 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 133.7 | 169.9 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | I48 K50 H242 Y244 | V44-I48 CarbonylContact C-O 3.41Å; V44-I48 VanDerWaalsContact CA-O 3.26Å; V44-I48 WeakPolarHBondContact CA-O 3.41Å; V44-K50 HydrophobicContact CG2-CB 4.4Å; V44-K50 HydrophobicContact CG2-CG 3.75Å; V44-H242 HydrophobicContact CB-CB 4.09Å; V44-H242 PolarHBondContact N-O 3.26Å; V44-H242 PolarHBondContact O-N 3.42Å; V44-Y244 HydrophobicContact CB-CE2 4.1Å; V44-Y244 HydrophobicContact CG2-CD2 4.06Å; V44-Y244 HydrophobicContact CG2-CE2 3.58Å |
| 45 | S | 92.1 | Very high | 90.8 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 11% | 0.112 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 178.4 | 170.5 | 69.5 | 0 | 0 | 0 | 0 | 109 | V47 I48 | S45-V47 PolarHBondContact O-N 3.03Å; S45-V47 PolarHBondContact OG-N 3.35Å; S45-I48 PolarHBondContact N-O 3.38Å; S45-I48 CarbonylContact O-C 3.58Å; S45-I48 PolarHBondContact O-N 3.38Å; S45-I48 PolarHBondContact OG-N 2.9Å |
| 46 | D | 85.8 | Confident | 91.1 | Very high | 131 Ų | 131 | 36.6 Ų | 36.6 | 70% | 0.701 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -52.5 | -30.4 | 177 | -55.3 | -27.2 | 0 | 0 | 0 | 113.5 | ||
| 47 | V | 84.6 | Confident | 91.4 | Very high | 51 Ų | 51 | 35.9 Ų | 35.9 | 31% | 0.309 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -109.8 | -14.6 | -175.8 | -66.2 | 0 | 0 | 0 | 0 | 114.1 | S45 L226 | S45-V47 PolarHBondContact O-N 3.03Å; S45-V47 PolarHBondContact OG-N 3.35Å; V47-L226 HydrophobicContact CG2-CD2 3.86Å |
| 48 | I | 87.7 | Confident | 91.6 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | trans | -121 | 114.3 | -179.9 | -63.7 | 168.2 | 0 | 0 | 0 | 107.9 | V43 V44 S45 V51 M53 L64 L222 L226 | V43-I48 HydrophobicContact CB-CG2 4.2Å; V43-I48 HydrophobicContact CG1-CB 4.48Å; V43-I48 HydrophobicContact CG1-CD1 4.28Å; V43-I48 HydrophobicContact CG1-CG2 4.09Å; V44-I48 CarbonylContact C-O 3.41Å; V44-I48 VanDerWaalsContact CA-O 3.26Å; V44-I48 WeakPolarHBondContact CA-O 3.41Å; S45-I48 PolarHBondContact N-O 3.38Å; S45-I48 CarbonylContact O-C 3.58Å; S45-I48 PolarHBondContact O-N 3.38Å; S45-I48 PolarHBondContact OG-N 2.9Å; I48-V51 HydrophobicContact CG2-CB 3.85Å; I48-V51 HydrophobicContact CG2-CG2 3.66Å; I48-M53 HydrophobicContact CD1-CE 4.47Å; I48-M53 HydrophobicContact CG2-CE 4.26Å; I48-L64 HydrophobicContact CD1-CD1 3.97Å; I48-L222 HydrophobicContact CD1-CD2 3.85Å; I48-L222 HydrophobicContact CG1-CD2 4.32Å; I48-L226 HydrophobicContact CD1-CD2 4.29Å | ||
| 49 | N | 90.3 | Very high | 91.4 | Very high | 123 Ų | 123 | 34.4 Ų | 34.4 | 66% | 0.658 | 18% | 0.18 | S | C | * | . | trans | -103.2 | 105.5 | 177.8 | -172.4 | 16.2 | 0 | 0 | 0 | 111.2 | V51 | N49-V51 WeakPolarHBondContact O-CG2 3.1Å; N49-V51 PolarHBondContact O-N 3.11Å | ||
| 50 | K | 90.7 | Very high | 91.3 | Very high | 94 Ų | 94 | 37.8 Ų | 37.8 | 41% | 0.409 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 52.1 | 56.4 | 169.4 | -61.9 | 172.9 | -175.9 | -171.7 | 0 | 113.6 | V42 V43 V44 D92 F93 | V42-K50 HydrophobicContact CG1-CB 4.17Å; V43-K50 WeakPolarHBondContact O-CA 3.42Å; V43-K50 PolarHBondContact O-N 2.75Å; V44-K50 HydrophobicContact CG2-CB 4.4Å; V44-K50 HydrophobicContact CG2-CG 3.75Å; K50-D92 IonicContact NZ-OD1 3.22Å; K50-D92 PolarHBondContact NZ-OD1 3.22Å; K50-F93 HydrophobicContact CD-CB 3.91Å; K50-F93 HydrophobicContact CD-CD1 3.71Å; K50-F93 HydrophobicContact CD-CD2 4.4Å; K50-F93 HydrophobicContact CD-CE1 4.31Å; K50-F93 HydrophobicContact CD-CG 3.75Å; K50-F93 HydrophobicContact CG-CD1 4.21Å; K50-F93 HydrophobicContact CG-CE1 4.34Å; K50-F93 HydrophobicContact CG-CG 4.29Å |
| 51 | V | 91.8 | Very high | 91.4 | Very high | 62 Ų | 62 | 39 Ų | 39 | 38% | 0.376 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 131.4 | -178.9 | -170.2 | 0 | 0 | 0 | 0 | 111.6 | V43 I48 N49 M53 | V43-V51 PolarHBondContact N-O 3.41Å; V43-V51 PolarHBondContact O-N 3.2Å; I48-V51 HydrophobicContact CG2-CB 3.85Å; I48-V51 HydrophobicContact CG2-CG2 3.66Å; N49-V51 WeakPolarHBondContact O-CG2 3.1Å; N49-V51 PolarHBondContact O-N 3.11Å; V51-M53 HydrophobicContact CB-CE 3.74Å; V51-M53 HydrophobicContact CG1-CE 3.5Å; V51-M53 HydrophobicContact CG1-CG 4.21Å; V51-M53 HydrophobicContact CG2-CE 4.49Å; V51-M53 PolarHBondContact O-N 3.1Å |
| 52 | Y | 91.7 | Very high | 91.5 | Very high | 111 Ų | 111 | 39 Ų | 39 | 44% | 0.435 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 120.4 | 176.4 | -167.6 | -105.2 | 0 | 0 | 0 | 111.4 | P40 V42 F67 | P40-Y52 HydrophobicContact CB-CE1 4.29Å; P40-Y52 HydrophobicContact CB-CE2 4.26Å; P40-Y52 VanDerWaalsContact CB-OH 3.31Å; P40-Y52 WeakPolarHBondContact CB-OH 3.38Å; V42-Y52 HydrophobicContact CG2-CD2 4.01Å; Y52-F67 HydrophobicContact CD1-CB 3.86Å; Y52-F67 HydrophobicContact CD1-CD2 4.34Å; Y52-F67 HydrophobicContact CD1-CG 4.05Å; Y52-F67 HydrophobicContact CE1-CB 4.28Å; Y52-F67 AromaticContact CE1-CD2 3.89Å; Y52-F67 HydrophobicContact CE1-CD2 3.89Å; Y52-F67 HydrophobicContact CE1-CE2 4.39Å; Y52-F67 HydrophobicContact CE1-CG 4.03Å |
| 53 | M | 93.7 | Very high | 91.5 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.02 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 173.3 | -174.3 | -65.2 | -171.8 | -178.4 | 0 | 0 | 110.5 | P40 C41 V43 I48 V51 L64 T65 L222 | P40-M53 CarbonylContact C-O 3.52Å; P40-M53 WeakPolarHBondContact CA-O 3.38Å; C41-M53 PolarHBondContact N-O 3.43Å; C41-M53 PolarHBondContact O-N 3.43Å; V43-M53 HydrophobicContact CG2-CB 3.95Å; V43-M53 HydrophobicContact CG2-CG 4.33Å; V43-M53 HydrophobicContact CG2-SD 4.25Å; I48-M53 HydrophobicContact CD1-CE 4.47Å; I48-M53 HydrophobicContact CG2-CE 4.26Å; V51-M53 HydrophobicContact CB-CE 3.74Å; V51-M53 HydrophobicContact CG1-CE 3.5Å; V51-M53 HydrophobicContact CG1-CG 4.21Å; V51-M53 HydrophobicContact CG2-CE 4.49Å; V51-M53 PolarHBondContact O-N 3.1Å; M53-L64 HydrophobicContact SD-CB 4.04Å; M53-L64 HydrophobicContact SD-CD1 4.24Å; M53-T65 CarbonylContact C-O 3.56Å; M53-T65 WeakPolarHBondContact CA-O 3.36Å; M53-T65 VanDerWaalsContact CB-O 3.32Å; M53-T65 WeakPolarHBondContact CB-O 3.18Å; M53-L222 HydrophobicContact CE-CD1 3.83Å; M53-L222 HydrophobicContact CE-CD2 3.22Å; M53-L222 HydrophobicContact CE-CG 3.9Å; M53-L222 HydrophobicContact SD-CD1 4.02Å; M53-L222 HydrophobicContact SD-CD2 3.99Å |
| 54 | Y | 93 | Very high | 91.5 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 5% | 0.051 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 128.7 | 159.7 | -64.8 | -82.6 | 0 | 0 | 0 | 109.9 | N16 L19 E39 P40 L64 T65 F67 | N16-Y54 PolarHBondContact ND2-OH 3.27Å; L19-Y54 HydrophobicContact CD1-CD2 4.26Å; L19-Y54 HydrophobicContact CD1-CG 4.48Å; L19-Y54 HydrophobicContact CD2-CD1 3.5Å; L19-Y54 HydrophobicContact CD2-CD2 4.01Å; L19-Y54 HydrophobicContact CD2-CE1 3.78Å; L19-Y54 HydrophobicContact CD2-CE2 4.24Å; L19-Y54 HydrophobicContact CD2-CG 3.61Å; E39-Y54 WeakPolarHBondContact O-CA 3.47Å; P40-Y54 HydrophobicContact CB-CD1 3.91Å; P40-Y54 HydrophobicContact CB-CE1 3.81Å; P40-Y54 HydrophobicContact CG-CE1 4.26Å; Y54-L64 WeakPolarHBondContact O-CA 3.36Å; Y54-T65 HydrophobicContact CD2-CG2 4.1Å; Y54-T65 HydrophobicContact CG-CG2 4.34Å; Y54-T65 PolarHBondContact N-O 3Å; Y54-T65 PolarHBondContact O-N 2.87Å; Y54-F67 HydrophobicContact CD2-CD2 4.49Å; Y54-F67 AromaticContact CE2-CD2 3.49Å; Y54-F67 HydrophobicContact CE2-CD2 3.49Å; Y54-F67 VanDerWaalsContact CE2-CD2 3.49Å; Y54-F67 HydrophobicContact CE2-CE2 4.18Å; Y54-F67 HydrophobicContact CE2-CG 4.42Å; Y54-F67 AromaticContact CZ-CD2 3.65Å; Y54-F67 AromaticContact CZ-CE2 3.94Å; Y54-F67 WeakPolarHBondContact OH-CD2 3.4Å; Y54-F67 WeakPolarHBondContact OH-CE2 3.23Å |
| 55 | A | 94.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 126.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y38 E39 L64 L243 L252 | Y38-A55 CarbonylContact C-O 3.58Å; Y38-A55 WeakPolarHBondContact CA-O 3.46Å; Y38-A55 WeakPolarHBondContact CB-O 3.17Å; E39-A55 PolarHBondContact N-O 2.84Å; E39-A55 PolarHBondContact O-N 3.42Å; A55-L64 HydrophobicContact CB-CD2 4.32Å; A55-L243 HydrophobicContact CB-CD1 4.23Å; A55-L252 HydrophobicContact CB-CD2 4Å |
| 56 | V | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 119.3 | 178.2 | -178.2 | 0 | 0 | 0 | 0 | 107.8 | L23 I35 Y63 T65 L72 | L23-V56 HydrophobicContact CD1-CG1 4.32Å; L23-V56 HydrophobicContact CD2-CG1 4.29Å; L23-V56 HydrophobicContact CD2-CG2 4.36Å; I35-V56 HydrophobicContact CD1-CG1 4.06Å; I35-V56 HydrophobicContact CG1-CG1 4.32Å; I35-V56 HydrophobicContact CG2-CG1 3.93Å; V56-Y63 PolarHBondContact N-O 3.45Å; V56-Y63 PolarHBondContact O-N 3.06Å; V56-T65 HydrophobicContact CG2-CG2 4.32Å; V56-L72 HydrophobicContact CB-CD1 4.27Å; V56-L72 HydrophobicContact CG2-CD1 4.1Å |
| 57 | L | 93.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.3 | -176 | 179.9 | 62.7 | 0 | 0 | 0 | 110.8 | R36 T37 V62 H255 L256 C259 | R36-L57 HydrophobicContact CB-CG 4.47Å; R36-L57 PolarHBondContact N-O 3.37Å; T37-L57 HydrophobicContact CG2-CB 4.06Å; T37-L57 HydrophobicContact CG2-CD2 4.14Å; T37-L57 PolarHBondContact O-N 3.23Å; L57-V62 HydrophobicContact CD1-CG2 3.99Å; L57-H255 VanDerWaalsContact CD2-C 3.41Å; L57-H255 HydrophobicContact CD2-CB 3.63Å; L57-L256 HydrophobicContact CD1-CD2 3.64Å; L57-L256 HydrophobicContact CD1-CG 4.44Å; L57-L256 HydrophobicContact CD2-CD2 4.19Å; L57-L256 HydrophobicContact CD2-CG 4.11Å; L57-L256 HydrophobicContact CG-CD2 4.49Å; L57-C259 HydrophobicContact CD1-CB 4.44Å; L57-C259 HydrophobicContact CD2-CB 4.31Å |
| 58 | S | 91.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 179.1 | 161.3 | 77.2 | 0 | 0 | 0 | 0 | 110.7 | E60 R61 | S58-E60 PolarHBondContact O-N 3.29Å; S58-E60 PolarHBondContact OG-N 3.36Å; S58-R61 PolarHBondContact N-O 3.37Å; S58-R61 PolarHBondContact OG-N 3.09Å; S58-R61 PolarHBondContact OG-O 3.35Å |
| 59 | D | 86.4 | Confident | 91.3 | Very high | 11 Ų | 11 | 41.5 Ų | 41.5 | 6% | 0.059 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -73.1 | -4.6 | 174.4 | 61.8 | -23.9 | 0 | 0 | 0 | 114.6 | R34 L78 | R34-D59 WeakPolarHBondContact CB-OD1 3.48Å; R34-D59 IonicContact CZ-OD1 3.91Å; R34-D59 IonicContact CZ-OD2 3.69Å; R34-D59 VanDerWaalsContact CZ-OD2 3.22Å; R34-D59 IonicContact NE-OD1 3.03Å; R34-D59 PolarHBondContact NE-OD1 2.97Å; R34-D59 IonicContact NE-OD2 3.62Å; R34-D59 PolarHBondContact NE-OD2 3.13Å; R34-D59 IonicContact NH2-OD1 3.33Å; R34-D59 PolarHBondContact NH2-OD1 3.08Å; R34-D59 IonicContact NH2-OD2 2.68Å; R34-D59 PolarHBondContact NH2-OD2 2.88Å; D59-L78 WeakPolarHBondContact O-CD1 3.35Å |
| 60 | E | 89.3 | Confident | 91.2 | Very high | 80 Ų | 80 | 44.5 Ų | 44.5 | 37% | 0.374 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -126.9 | -24.9 | 177.4 | -77.7 | 178.1 | -162.2 | 0 | 0 | 114.3 | R34 S58 L78 | R34-E60 IonicContact CZ-OE1 3.37Å; R34-E60 IonicContact NH1-OE1 3.41Å; R34-E60 PolarHBondContact NH1-OE1 2.69Å; R34-E60 IonicContact NH1-OE2 3.3Å; R34-E60 IonicContact NH2-OE1 2.68Å; R34-E60 PolarHBondContact NH2-OE1 3.44Å; S58-E60 PolarHBondContact O-N 3.29Å; S58-E60 PolarHBondContact OG-N 3.36Å; E60-L78 WeakPolarHBondContact O-CB 3.37Å; E60-L78 WeakPolarHBondContact O-CG 3.44Å; E60-L78 PolarHBondContact O-N 3.25Å |
| 61 | R | 93.3 | Very high | 91.1 | Very high | 73 Ų | 73 | 41.3 Ų | 41.3 | 28% | 0.275 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 153.6 | -169 | -59.1 | -171.7 | -174.4 | -139.1 | 0.4 | 112.6 | S58 Y63 L76 R77 | S58-R61 PolarHBondContact N-O 3.37Å; S58-R61 PolarHBondContact OG-N 3.09Å; S58-R61 PolarHBondContact OG-O 3.35Å; R61-Y63 HydrophobicContact CB-CD2 4.21Å; R61-Y63 HydrophobicContact CB-CE2 3.6Å; R61-L76 CarbonylContact C-O 3.58Å; R61-L76 VanDerWaalsContact CA-O 3.24Å; R61-L76 WeakPolarHBondContact CA-O 3.17Å; R61-L76 WeakPolarHBondContact CB-O 3.48Å; R61-R77 HydrophobicContact CG-CG 4.12Å |
| 62 | V | 94.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.2 | 163.5 | -173.6 | 0 | 0 | 0 | 0 | 107.8 | L57 A75 L76 L256 | L57-V62 HydrophobicContact CD1-CG2 3.99Å; V62-A75 PolarHBondContact O-N 2.94Å; V62-L76 HydrophobicContact CB-CB 4.26Å; V62-L76 HydrophobicContact CG2-CD2 4.14Å; V62-L76 PolarHBondContact N-O 3.1Å; V62-L76 PolarHBondContact O-N 3.43Å; V62-L256 HydrophobicContact CG2-CD2 3.65Å |
| 63 | Y | 94.6 | Very high | 91.1 | Very high | 30 Ų | 30 | 35.6 Ų | 35.6 | 12% | 0.118 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 153.9 | 174.8 | -57.6 | -98.5 | 0 | 0 | 0 | 110.4 | L31 V56 R61 L72 T73 A74 | L31-Y63 HydrophobicContact CD1-CE2 4.03Å; L31-Y63 WeakPolarHBondContact CD1-OH 3.3Å; L31-Y63 HydrophobicContact CD2-CE1 4.43Å; L31-Y63 HydrophobicContact CD2-CE2 4.49Å; V56-Y63 PolarHBondContact N-O 3.45Å; V56-Y63 PolarHBondContact O-N 3.06Å; R61-Y63 HydrophobicContact CB-CD2 4.21Å; R61-Y63 HydrophobicContact CB-CE2 3.6Å; Y63-L72 HydrophobicContact CD1-CD2 4.01Å; Y63-L72 HydrophobicContact CD1-CG 3.86Å; Y63-L72 HydrophobicContact CE1-CD2 4.48Å; Y63-L72 HydrophobicContact CG-CD1 4.2Å; Y63-L72 HydrophobicContact CG-CD2 4.16Å; Y63-L72 HydrophobicContact CG-CG 4.02Å; Y63-T73 CarbonylContact C-O 3.55Å; Y63-T73 VanDerWaalsContact CA-O 3.24Å; Y63-T73 WeakPolarHBondContact CA-O 3.32Å; Y63-A74 HydrophobicContact CD1-CB 3.91Å; Y63-A74 HydrophobicContact CE1-CB 3.87Å |
| 64 | L | 94.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 141.7 | 174 | -62.7 | 175.5 | 0 | 0 | 0 | 109.8 | V43 I48 M53 Y54 A55 T73 A75 L243 | V43-L64 HydrophobicContact CG1-CD1 3.87Å; V43-L64 HydrophobicContact CG2-CD1 4.34Å; V43-L64 HydrophobicContact CG2-CD2 3.77Å; I48-L64 HydrophobicContact CD1-CD1 3.97Å; M53-L64 HydrophobicContact SD-CB 4.04Å; M53-L64 HydrophobicContact SD-CD1 4.24Å; Y54-L64 WeakPolarHBondContact O-CA 3.36Å; A55-L64 HydrophobicContact CB-CD2 4.32Å; L64-T73 PolarHBondContact N-O 3.03Å; L64-T73 PolarHBondContact O-N 3.38Å; L64-A75 HydrophobicContact CD1-CB 3.67Å; L64-A75 HydrophobicContact CG-CB 3.71Å; L64-L243 HydrophobicContact CD2-CD2 4.47Å |
| 65 | T | 92.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 142.9 | 170.4 | -170.7 | 0 | 0 | 0 | 0 | 110.8 | L19 M53 Y54 V56 P69 A71 | L19-T65 HydrophobicContact CD1-CG2 3.89Å; M53-T65 CarbonylContact C-O 3.56Å; M53-T65 WeakPolarHBondContact CA-O 3.36Å; M53-T65 VanDerWaalsContact CB-O 3.32Å; M53-T65 WeakPolarHBondContact CB-O 3.18Å; Y54-T65 HydrophobicContact CD2-CG2 4.1Å; Y54-T65 HydrophobicContact CG-CG2 4.34Å; Y54-T65 PolarHBondContact N-O 3Å; Y54-T65 PolarHBondContact O-N 2.87Å; V56-T65 HydrophobicContact CG2-CG2 4.32Å; T65-P69 HydrophobicContact CG2-CB 4.18Å; T65-P69 WeakPolarHBondContact OG1-CB 3.45Å; T65-A71 WeakPolarHBondContact CA-O 3.03Å; T65-A71 WeakPolarHBondContact CB-O 3.36Å; T65-A71 PolarHBondContact OG1-O 3.02Å |
| 66 | E | 90.3 | Very high | 90.7 | Very high | 38 Ų | 38 | 38 Ų | 38 | 18% | 0.178 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 167.2 | -176.8 | -61 | 119.7 | 162.5 | 0 | 0 | 112.6 | P68 P69 R70 L222 | E66-P68 CarbonylContact C-O 3.53Å; E66-P68 CarbonylContact O-C 3.48Å; E66-P69 WeakPolarHBondContact O-CA 3.35Å; E66-R70 WeakPolarHBondContact OE2-CB 3.42Å; E66-L222 HydrophobicContact CG-CD1 3.6Å; E66-L222 HydrophobicContact CG-CG 4.29Å; E66-L222 WeakPolarHBondContact OE1-CD1 3.43Å |
| 67 | F | 83.6 | Confident | 90.6 | Very high | 119 Ų | 119 | 42 Ų | 42 | 52% | 0.522 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -109 | 110.8 | 166.8 | -170.7 | -82.7 | 0 | 0 | 0 | 109.6 | Y52 Y54 | Y52-F67 HydrophobicContact CD1-CB 3.86Å; Y52-F67 HydrophobicContact CD1-CD2 4.34Å; Y52-F67 HydrophobicContact CD1-CG 4.05Å; Y52-F67 HydrophobicContact CE1-CB 4.28Å; Y52-F67 AromaticContact CE1-CD2 3.89Å; Y52-F67 HydrophobicContact CE1-CD2 3.89Å; Y52-F67 HydrophobicContact CE1-CE2 4.39Å; Y52-F67 HydrophobicContact CE1-CG 4.03Å; Y54-F67 HydrophobicContact CD2-CD2 4.49Å; Y54-F67 AromaticContact CE2-CD2 3.49Å; Y54-F67 HydrophobicContact CE2-CD2 3.49Å; Y54-F67 VanDerWaalsContact CE2-CD2 3.49Å; Y54-F67 HydrophobicContact CE2-CE2 4.18Å; Y54-F67 HydrophobicContact CE2-CG 4.42Å; Y54-F67 AromaticContact CZ-CD2 3.65Å; Y54-F67 AromaticContact CZ-CE2 3.94Å; Y54-F67 WeakPolarHBondContact OH-CD2 3.4Å; Y54-F67 WeakPolarHBondContact OH-CE2 3.23Å |
| 68 | P | 85.1 | Confident | 90.6 | Very high | 78 Ų | 78 | 42 Ų | 42 | 51% | 0.506 | 21% | 0.205 | S | C | . | . | S | Bend | cis | -73.3 | 157.6 | -2.9 | 31.6 | -36.2 | 0 | 0 | 0 | 113.5 | E66 R70 | E66-P68 CarbonylContact C-O 3.53Å; E66-P68 CarbonylContact O-C 3.48Å; P68-R70 PolarHBondContact O-N 3.45Å |
| 69 | P | 88.2 | Confident | 90.5 | Very high | 31 Ų | 31 | 47.2 Ų | 47.2 | 20% | 0.201 | 23% | 0.23 | C | C | . | . | trans | -70 | 125.6 | -173.2 | 27.7 | -34.7 | 0 | 0 | 0 | 112 | L19 F22 T65 E66 | L19-P69 HydrophobicContact CD1-CB 4.03Å; L19-P69 HydrophobicContact CD1-CG 4.17Å; F22-P69 HydrophobicContact CB-CB 4.41Å; F22-P69 HydrophobicContact CB-CG 4.14Å; F22-P69 HydrophobicContact CD1-CB 3.75Å; F22-P69 HydrophobicContact CD1-CG 4.38Å; F22-P69 HydrophobicContact CD2-CB 4.14Å; F22-P69 HydrophobicContact CD2-CG 4.47Å; F22-P69 HydrophobicContact CE1-CB 4Å; F22-P69 HydrophobicContact CE2-CB 4.38Å; F22-P69 HydrophobicContact CG-CB 3.83Å; F22-P69 HydrophobicContact CG-CG 4.08Å; F22-P69 HydrophobicContact CZ-CB 4.31Å; T65-P69 HydrophobicContact CG2-CB 4.18Å; T65-P69 WeakPolarHBondContact OG1-CB 3.45Å; E66-P69 WeakPolarHBondContact O-CA 3.35Å | ||
| 70 | R | 88.3 | Confident | 90.7 | Very high | 186 Ų | 186 | 49.3 Ų | 49.3 | 70% | 0.702 | 24% | 0.237 | S | C | * | . | trans | -122.9 | -41.1 | 178.4 | -57.2 | 178.4 | 179.6 | -158.1 | -1.5 | 112.6 | E66 P68 | E66-R70 WeakPolarHBondContact OE2-CB 3.42Å; P68-R70 PolarHBondContact O-N 3.45Å | ||
| 71 | A | 89 | Confident | 90.9 | Very high | 26 Ų | 26 | 45.9 Ų | 45.9 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | trans | -136.9 | 147 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | T65 | T65-A71 WeakPolarHBondContact CA-O 3.03Å; T65-A71 WeakPolarHBondContact CB-O 3.36Å; T65-A71 PolarHBondContact OG1-O 3.02Å | ||
| 72 | L | 91.3 | Very high | 90.6 | Very high | 40 Ų | 40 | 46.5 Ų | 46.5 | 21% | 0.209 | 22% | 0.224 | C | C | . | . | trans | -101.1 | 112.5 | 170.5 | -171.5 | 71.1 | 0 | 0 | 0 | 108.2 | F22 L23 T27 V56 Y63 | F22-L72 HydrophobicContact CE1-CB 4.34Å; L23-L72 HydrophobicContact CD2-CD1 3.99Å; L23-L72 HydrophobicContact CD2-CD2 4.17Å; T27-L72 HydrophobicContact CG2-CD2 3.34Å; V56-L72 HydrophobicContact CB-CD1 4.27Å; V56-L72 HydrophobicContact CG2-CD1 4.1Å; Y63-L72 HydrophobicContact CD1-CD2 4.01Å; Y63-L72 HydrophobicContact CD1-CG 3.86Å; Y63-L72 HydrophobicContact CE1-CD2 4.48Å; Y63-L72 HydrophobicContact CG-CD1 4.2Å; Y63-L72 HydrophobicContact CG-CD2 4.16Å; Y63-L72 HydrophobicContact CG-CG 4.02Å | ||
| 73 | T | 90.9 | Very high | 90.4 | Very high | 14 Ų | 14 | 48.1 Ų | 48.1 | 9% | 0.086 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.9 | -177.5 | -50.9 | 0 | 0 | 0 | 0 | 110.1 | Y63 L64 A75 L226 | Y63-T73 CarbonylContact C-O 3.55Å; Y63-T73 VanDerWaalsContact CA-O 3.24Å; Y63-T73 WeakPolarHBondContact CA-O 3.32Å; L64-T73 PolarHBondContact N-O 3.03Å; L64-T73 PolarHBondContact O-N 3.38Å; T73-A75 PolarHBondContact O-N 3.47Å; T73-L226 HydrophobicContact CG2-CD1 3.43Å; T73-L226 VanDerWaalsContact CG2-CD1 3.43Å |
| 74 | A | 91 | Very high | 90.3 | Very high | 41 Ų | 41 | 46.9 Ų | 46.9 | 34% | 0.339 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 119.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y63 | Y63-A74 HydrophobicContact CD1-CB 3.91Å; Y63-A74 HydrophobicContact CE1-CB 3.87Å |
| 75 | A | 91.1 | Very high | 90.1 | Very high | 17 Ų | 17 | 50.3 Ų | 50.3 | 14% | 0.14 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -36.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V62 L64 T73 L241 | V62-A75 PolarHBondContact O-N 2.94Å; L64-A75 HydrophobicContact CD1-CB 3.67Å; L64-A75 HydrophobicContact CG-CB 3.71Å; T73-A75 PolarHBondContact O-N 3.47Å; A75-L241 HydrophobicContact CB-CD2 4.3Å |
| 76 | L | 91.1 | Very high | 90 | Very high | 9 Ų | 9 | 53.5 Ų | 53.5 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 143.7 | -170.9 | 169.4 | 70.1 | 0 | 0 | 0 | 111.2 | R61 V62 V81 I107 Y109 | R61-L76 CarbonylContact C-O 3.58Å; R61-L76 VanDerWaalsContact CA-O 3.24Å; R61-L76 WeakPolarHBondContact CA-O 3.17Å; R61-L76 WeakPolarHBondContact CB-O 3.48Å; V62-L76 HydrophobicContact CB-CB 4.26Å; V62-L76 HydrophobicContact CG2-CD2 4.14Å; V62-L76 PolarHBondContact N-O 3.1Å; V62-L76 PolarHBondContact O-N 3.43Å; L76-V81 HydrophobicContact CD1-CG2 3.94Å; L76-V81 HydrophobicContact CD2-CG2 3.63Å; L76-V81 HydrophobicContact CG-CG2 3.98Å; L76-I107 HydrophobicContact CD2-CB 4.34Å; L76-I107 HydrophobicContact CD2-CD1 4.2Å; L76-I107 HydrophobicContact CD2-CG2 3.44Å; L76-I107 VanDerWaalsContact CD2-CG2 3.44Å; L76-Y109 VanDerWaalsContact CD1-CB 3.42Å; L76-Y109 HydrophobicContact CD1-CD1 3.89Å; L76-Y109 HydrophobicContact CD1-CD2 3.51Å; L76-Y109 HydrophobicContact CD1-CE2 4.19Å; L76-Y109 HydrophobicContact CD1-CG 3.33Å |
| 77 | R | 92.6 | Very high | 90 | Very high | 84 Ų | 84 | 53.7 Ų | 53.7 | 32% | 0.317 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 133.2 | 167 | -65.6 | 172.1 | 66.2 | 172.9 | -2 | 109.6 | R61 E79 R80 E112 | R61-R77 HydrophobicContact CG-CG 4.12Å; R77-E79 HydrophobicContact CB-CB 4.49Å; R77-E79 IonicContact CZ-OE2 2.85Å; R77-E79 IonicContact NE-OE2 2.9Å; R77-E79 IonicContact NH2-OE2 3.12Å; R77-E79 PolarHBondContact NH2-OE2 3.02Å; R77-E79 PolarHBondContact O-N 3.37Å; R77-R80 HydrophobicContact CB-CG 4.39Å; R77-R80 PolarHBondContact O-N 3.4Å; R77-E112 WeakPolarHBondContact CD-OE1 3.38Å; R77-E112 IonicContact NH1-OE1 3.38Å; R77-E112 PolarHBondContact NH1-OE1 3.06Å |
| 78 | L | 92.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -59.9 | -27.5 | 178.9 | -66.8 | -178.6 | 0 | 0 | 0 | 112.7 | D59 E60 R80 V81 C259 W260 F263 | D59-L78 WeakPolarHBondContact O-CD1 3.35Å; E60-L78 WeakPolarHBondContact O-CB 3.37Å; E60-L78 WeakPolarHBondContact O-CG 3.44Å; E60-L78 PolarHBondContact O-N 3.25Å; L78-R80 PolarHBondContact O-N 2.82Å; L78-R80 VanDerWaalsContact O-N 3.1Å; L78-V81 HydrophobicContact CD2-CG2 4.27Å; L78-V81 WeakPolarHBondContact O-CB 3.31Å; L78-V81 PolarHBondContact O-N 2.97Å; L78-C259 HydrophobicContact CD1-CB 3.93Å; L78-W260 HydrophobicContact CD2-CB 4.41Å; L78-F263 HydrophobicContact CB-CB 4.19Å; L78-F263 HydrophobicContact CB-CD1 4.1Å; L78-F263 HydrophobicContact CB-CD2 4.05Å; L78-F263 HydrophobicContact CB-CG 3.81Å; L78-F263 HydrophobicContact CD1-CB 4.15Å |
| 79 | E | 90.8 | Very high | 90.3 | Very high | 112 Ų | 112 | 54.8 Ų | 54.8 | 52% | 0.523 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -52.3 | -29.7 | 172 | -169.7 | -179.3 | 170.6 | 0 | 0 | 114.3 | R77 F263 | R77-E79 HydrophobicContact CB-CB 4.49Å; R77-E79 IonicContact CZ-OE2 2.85Å; R77-E79 IonicContact NE-OE2 2.9Å; R77-E79 IonicContact NH2-OE2 3.12Å; R77-E79 PolarHBondContact NH2-OE2 3.02Å; R77-E79 PolarHBondContact O-N 3.37Å; E79-F263 HydrophobicContact CB-CE1 3.96Å; E79-F263 HydrophobicContact CB-CE2 4.36Å; E79-F263 HydrophobicContact CB-CZ 3.49Å; E79-F263 VanDerWaalsContact CB-CZ 3.49Å; E79-F263 HydrophobicContact CG-CE1 4.42Å; E79-F263 HydrophobicContact CG-CZ 3.98Å |
| 80 | R | 90.3 | Very high | 90.1 | Very high | 54 Ų | 54 | 59.4 Ų | 59.4 | 20% | 0.204 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -105.9 | -2.7 | -170.6 | -51.8 | -157 | 69.6 | -155.5 | -2.4 | 113.1 | R77 L78 R82 Y109 I110 P111 | R77-R80 HydrophobicContact CB-CG 4.39Å; R77-R80 PolarHBondContact O-N 3.4Å; L78-R80 PolarHBondContact O-N 2.82Å; L78-R80 VanDerWaalsContact O-N 3.1Å; R80-R82 PolarHBondContact O-N 3.12Å; R80-Y109 CarbonylContact O-C 3.56Å; R80-Y109 VanDerWaalsContact O-CA 3.22Å; R80-Y109 WeakPolarHBondContact O-CA 3.48Å; R80-Y109 WeakPolarHBondContact O-CB 3.41Å; R80-I110 PolarHBondContact NE-O 2.68Å; R80-I110 PolarHBondContact NH1-O 2.67Å; R80-I110 PolarHBondContact NH2-O 3.25Å; R80-I110 PolarHBondContact O-N 2.98Å; R80-P111 PolarHBondContact NH1-O 3.26Å; R80-P111 PolarHBondContact NH2-O 3.45Å |
| 81 | V | 92.3 | Very high | 90.1 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 6% | 0.055 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 130.1 | 176.3 | 175.8 | 0 | 0 | 0 | 0 | 109.2 | L76 L78 I84 I107 W260 | L76-V81 HydrophobicContact CD1-CG2 3.94Å; L76-V81 HydrophobicContact CD2-CG2 3.63Å; L76-V81 HydrophobicContact CG-CG2 3.98Å; L78-V81 HydrophobicContact CD2-CG2 4.27Å; L78-V81 WeakPolarHBondContact O-CB 3.31Å; L78-V81 PolarHBondContact O-N 2.97Å; V81-I84 HydrophobicContact CG1-CD1 4.08Å; V81-I84 HydrophobicContact CG1-CG1 3.63Å; V81-I107 HydrophobicContact CG1-CG2 4.09Å; V81-I107 HydrophobicContact CG2-CG2 3.99Å; V81-W260 HydrophobicContact CB-CG 4.47Å; V81-W260 HydrophobicContact CB-CZ2 4.49Å; V81-W260 HydrophobicContact CG1-CD2 3.86Å; V81-W260 HydrophobicContact CG1-CE3 4.45Å; V81-W260 HydrophobicContact CG1-CG 4.16Å; V81-W260 HydrophobicContact CG1-CH2 4.47Å; V81-W260 HydrophobicContact CG1-CZ2 3.88Å |
| 82 | R | 88.1 | Confident | 90.1 | Very high | 85 Ų | 85 | 55 Ų | 55 | 32% | 0.321 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -35.8 | 172.4 | -64.9 | -53.5 | -165.7 | -174 | 0.1 | 111.3 | R80 S108 I110 W260 R562 | R80-R82 PolarHBondContact O-N 3.12Å; R82-S108 PolarHBondContact N-O 3.21Å; R82-I110 HydrophobicContact CG-CG1 4.13Å; R82-I110 VanDerWaalsContact CZ-CD1 3.5Å; R82-W260 WeakPolarHBondContact O-CH2 3.23Å; R82-R562 VanDerWaalsContact O-CZ 3.31Å; R82-R562 PolarHBondContact O-NH1 3.48Å; R82-R562 PolarHBondContact O-NH2 2.98Å |
| 83 | D | 89.7 | Confident | 90 | Very high | 37 Ų | 37 | 56 Ų | 56 | 20% | 0.198 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 156.1 | 177.7 | -148.4 | 4.6 | 0 | 0 | 0 | 113.3 | I107 S108 R562 | D83-I107 WeakPolarHBondContact O-CA 3.5Å; D83-S108 PolarHBondContact N-O 3.09Å; D83-S108 PolarHBondContact O-N 2.84Å; D83-R562 IonicContact OD1-NH1 3.24Å; D83-R562 PolarHBondContact OD1-NH1 3.02Å; D83-R562 IonicContact OD2-CZ 2.7Å; D83-R562 IonicContact OD2-NH1 2.98Å; D83-R562 PolarHBondContact OD2-NH1 3.24Å |
| 84 | I | 92 | Very high | 89.9 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 111.5 | 173.5 | -50.9 | -178.6 | 0 | 0 | 0 | 108.2 | V81 I105 R106 I107 Y253 L256 Q257 W260 | V81-I84 HydrophobicContact CG1-CD1 4.08Å; V81-I84 HydrophobicContact CG1-CG1 3.63Å; I84-I105 HydrophobicContact CG2-CG2 3.97Å; I84-R106 WeakPolarHBondContact CA-O 3.33Å; I84-I107 HydrophobicContact CG1-CG2 4.29Å; I84-I107 HydrophobicContact CG2-CG1 4.28Å; I84-Y253 HydrophobicContact CG2-CD2 4.01Å; I84-Y253 HydrophobicContact CG2-CE2 3.84Å; I84-L256 HydrophobicContact CD1-CB 4.28Å; I84-L256 HydrophobicContact CG2-CB 4.44Å; I84-Q257 HydrophobicContact CG2-CG 4.41Å; I84-W260 HydrophobicContact CB-CE3 4.46Å; I84-W260 HydrophobicContact CD1-CB 3.67Å; I84-W260 HydrophobicContact CD1-CD2 4.02Å; I84-W260 HydrophobicContact CD1-CE3 3.89Å; I84-W260 HydrophobicContact CD1-CG 3.95Å; I84-W260 HydrophobicContact CG1-CD2 4.26Å; I84-W260 HydrophobicContact CG1-CE3 3.89Å; I84-W260 HydrophobicContact CG1-CZ3 4.36Å |
| 85 | E | 91.2 | Very high | 89.7 | Confident | 72 Ų | 72 | 57 Ų | 57 | 34% | 0.336 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 148.4 | -174.8 | -64.1 | -172.1 | 145.2 | 0 | 0 | 111.6 | I105 R106 | E85-I105 WeakPolarHBondContact O-CA 3.43Å; E85-R106 PolarHBondContact N-O 3.42Å; E85-R106 PolarHBondContact O-N 2.87Å; E85-R106 IonicContact OE2-CZ 3.81Å; E85-R106 IonicContact OE2-NE 3.3Å; E85-R106 IonicContact OE2-NH2 3.96Å; E85-R106 PolarHBondContact OE2-NH2 3.33Å |
| 86 | L | 90.1 | Very high | 89.2 | Confident | 67 Ų | 67 | 60.3 Ų | 60.3 | 35% | 0.351 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 116 | 166.1 | -170.1 | 74.4 | 0 | 0 | 0 | 107.4 | Q103 H104 I105 Y253 | L86-Q103 HydrophobicContact CD1-CB 4.16Å; L86-H104 WeakPolarHBondContact CA-O 3.19Å; L86-H104 WeakPolarHBondContact CD1-O 3.37Å; L86-I105 HydrophobicContact CD1-CG1 4.3Å; L86-Y253 HydrophobicContact CB-CD1 4.18Å; L86-Y253 HydrophobicContact CB-CE1 3.69Å; L86-Y253 HydrophobicContact CB-CE2 4.39Å; L86-Y253 HydrophobicContact CD1-CD1 4.21Å; L86-Y253 HydrophobicContact CD1-CG 4.41Å; L86-Y253 HydrophobicContact CD2-CD1 4.47Å; L86-Y253 HydrophobicContact CD2-CE1 4.38Å; L86-Y253 HydrophobicContact CG-CE1 4.44Å |
| 87 | V | 90.9 | Very high | 88.8 | Confident | 42 Ų | 42 | 67.6 Ų | 67.6 | 26% | 0.255 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 131.1 | -178.8 | -179.7 | 0 | 0 | 0 | 0 | 108.5 | D89 H104 R106 | V87-D89 HydrophobicContact CG1-CB 4.14Å; V87-D89 PolarHBondContact O-N 3.3Å; V87-H104 HydrophobicContact CB-CB 4.32Å; V87-H104 WeakPolarHBondContact CB-ND1 3.15Å; V87-H104 PolarHBondContact N-O 2.96Å; V87-R106 HydrophobicContact CG2-CB 3.63Å |
| 88 | N | 86.1 | Confident | 88.4 | Confident | 159 Ų | 159 | 66.5 Ų | 66.5 | 85% | 0.85 | 34% | 0.341 | S | S | * | . | trans | -91 | 84 | 175.3 | -66.5 | -33.5 | 0 | 0 | 0 | 109.1 | ||||
| 89 | D | 88.2 | Confident | 88.1 | Confident | 61 Ų | 61 | 70.5 Ų | 70.5 | 33% | 0.326 | 36% | 0.356 | S | S | . | . | trans | -133.6 | 167.4 | 174.9 | 68.3 | -19.1 | 0 | 0 | 0 | 112.1 | V87 H104 | V87-D89 HydrophobicContact CG1-CB 4.14Å; V87-D89 PolarHBondContact O-N 3.3Å; D89-H104 VanDerWaalsContact OD1-CB 3.23Å; D89-H104 WeakPolarHBondContact OD1-CB 3.45Å; D89-H104 IonicContact OD1-CE1 3.5Å; D89-H104 IonicContact OD1-CG 3.24Å; D89-H104 IonicContact OD1-ND1 2.71Å; D89-H104 PolarHBondContact OD1-ND1 3.48Å; D89-H104 IonicContact OD2-CE1 2.83Å; D89-H104 PolarHBondContact OD2-CE1 2.98Å; D89-H104 IonicContact OD2-CG 3.64Å; D89-H104 IonicContact OD2-ND1 2.58Å; D89-H104 PolarHBondContact OD2-ND1 3.16Å | ||
| 90 | L | 85.9 | Confident | 87.8 | Confident | 127 Ų | 127 | 72.3 Ų | 72.3 | 67% | 0.665 | 37% | 0.365 | S | S | * | . | trans | -117.6 | 94.2 | 175.7 | -67 | 175.2 | 0 | 0 | 0 | 108.3 | D92 R99 | L90-D92 PolarHBondContact O-N 3.18Å; L90-R99 HydrophobicContact CD2-CB 4.32Å | ||
| 91 | P | 88.1 | Confident | 87.4 | Confident | 6 Ų | 6 | 76.1 Ų | 76.1 | 4% | 0.039 | 38% | 0.379 | C | S | . | . | trans | -62.8 | 121.5 | -174.6 | 23.5 | -34.5 | 0 | 0 | 0 | 111.6 | F93 L94 R99 C102 Y244 | P91-F93 HydrophobicContact CB-CD1 3.87Å; P91-F93 HydrophobicContact CB-CE1 3.38Å; P91-F93 HydrophobicContact CB-CE2 4.13Å; P91-F93 HydrophobicContact CB-CG 4.46Å; P91-F93 HydrophobicContact CB-CZ 3.52Å; P91-F93 HydrophobicContact CG-CZ 4.39Å; P91-F93 PolarHBondContact O-N 3.47Å; P91-L94 HydrophobicContact CB-CD1 4.48Å; P91-L94 HydrophobicContact CB-CG 4.3Å; P91-L94 HydrophobicContact CG-CB 4.26Å; P91-L94 HydrophobicContact CG-CD1 3.54Å; P91-L94 HydrophobicContact CG-CG 3.82Å; P91-L94 PolarHBondContact O-N 3.44Å; P91-L94 VanDerWaalsContact O-N 3.15Å; P91-R99 WeakPolarHBondContact O-CD 3.4Å; P91-R99 VanDerWaalsContact O-CG 3.3Å; P91-R99 WeakPolarHBondContact O-CG 3.45Å; P91-R99 PolarHBondContact O-NE 3.26Å; P91-R99 VanDerWaalsContact O-NE 3.1Å; P91-C102 HydrophobicContact CG-CB 4.41Å; P91-Y244 HydrophobicContact CB-CD1 4.07Å; P91-Y244 HydrophobicContact CB-CE1 3.91Å; P91-Y244 HydrophobicContact CG-CD1 3.97Å; P91-Y244 HydrophobicContact CG-CE1 4.2Å | ||
| 92 | D | 88.1 | Confident | 87.3 | Confident | 113 Ų | 113 | 76.8 Ų | 76.8 | 60% | 0.604 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.4 | -177.1 | 67.1 | -19.1 | 0 | 0 | 0 | 113.8 | K50 L90 L94 R99 | K50-D92 IonicContact NZ-OD1 3.22Å; K50-D92 PolarHBondContact NZ-OD1 3.22Å; L90-D92 PolarHBondContact O-N 3.18Å; D92-L94 VanDerWaalsContact C-N 3.35Å; D92-R99 PolarHBondContact O-NH2 2.89Å |
| 93 | F | 90.2 | Very high | 87.4 | Confident | 61 Ų | 61 | 74.7 Ų | 74.7 | 27% | 0.268 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -9 | -179.7 | 60.3 | -94.6 | 0 | 0 | 0 | 114.3 | V42 K50 P91 Y244 | V42-F93 HydrophobicContact CB-CE2 4.19Å; V42-F93 HydrophobicContact CG1-CE2 3.83Å; V42-F93 HydrophobicContact CG1-CZ 4.43Å; V42-F93 HydrophobicContact CG2-CE2 4.46Å; K50-F93 HydrophobicContact CD-CB 3.91Å; K50-F93 HydrophobicContact CD-CD1 3.71Å; K50-F93 HydrophobicContact CD-CD2 4.4Å; K50-F93 HydrophobicContact CD-CE1 4.31Å; K50-F93 HydrophobicContact CD-CG 3.75Å; K50-F93 HydrophobicContact CG-CD1 4.21Å; K50-F93 HydrophobicContact CG-CE1 4.34Å; K50-F93 HydrophobicContact CG-CG 4.29Å; P91-F93 HydrophobicContact CB-CD1 3.87Å; P91-F93 HydrophobicContact CB-CE1 3.38Å; P91-F93 HydrophobicContact CB-CE2 4.13Å; P91-F93 HydrophobicContact CB-CG 4.46Å; P91-F93 HydrophobicContact CB-CZ 3.52Å; P91-F93 HydrophobicContact CG-CZ 4.39Å; P91-F93 PolarHBondContact O-N 3.47Å; F93-Y244 HydrophobicContact CE1-CE1 4.26Å; F93-Y244 HydrophobicContact CE1-CE2 4.28Å; F93-Y244 HydrophobicContact CE2-CD2 4.5Å; F93-Y244 HydrophobicContact CE2-CG 4.37Å; F93-Y244 AromaticContact CZ-CD1 3.83Å; F93-Y244 HydrophobicContact CZ-CD1 3.83Å; F93-Y244 AromaticContact CZ-CD2 3.72Å; F93-Y244 HydrophobicContact CZ-CD2 3.72Å; F93-Y244 AromaticContact CZ-CE1 3.9Å; F93-Y244 HydrophobicContact CZ-CE1 3.9Å; F93-Y244 AromaticContact CZ-CE2 3.78Å; F93-Y244 HydrophobicContact CZ-CE2 3.78Å; F93-Y244 AromaticContact CZ-CG 3.73Å; F93-Y244 HydrophobicContact CZ-CG 3.73Å; F93-Y244 AromaticContact CZ-CZ 3.87Å |
| 94 | L | 88.6 | Confident | 87.6 | Confident | 17 Ų | 17 | 73.3 Ų | 73.3 | 9% | 0.089 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -91.3 | 155 | 173.6 | -65.3 | -172.1 | 0 | 0 | 0 | 111.3 | V42 P91 D92 D98 R99 C102 V246 | V42-L94 HydrophobicContact CG2-CD2 4.38Å; P91-L94 HydrophobicContact CB-CD1 4.48Å; P91-L94 HydrophobicContact CB-CG 4.3Å; P91-L94 HydrophobicContact CG-CB 4.26Å; P91-L94 HydrophobicContact CG-CD1 3.54Å; P91-L94 HydrophobicContact CG-CG 3.82Å; P91-L94 PolarHBondContact O-N 3.44Å; P91-L94 VanDerWaalsContact O-N 3.15Å; D92-L94 VanDerWaalsContact C-N 3.35Å; L94-D98 HydrophobicContact CB-CB 4.1Å; L94-D98 HydrophobicContact CD1-CB 4.44Å; L94-R99 HydrophobicContact CB-CG 3.74Å; L94-R99 PolarHBondContact O-NE 2.89Å; L94-R99 PolarHBondContact O-NH2 3.27Å; L94-C102 HydrophobicContact CD1-CB 3.65Å; L94-V246 HydrophobicContact CD1-CG2 3.85Å; L94-V246 HydrophobicContact CD2-CG2 4.19Å |
| 95 | S | 86.9 | Confident | 87.7 | Confident | 59 Ų | 59 | 73.1 Ų | 73.1 | 41% | 0.413 | 37% | 0.369 | S | S | . | . | trans | -67.9 | 155.7 | 172.7 | 82.3 | 0 | 0 | 0 | 0 | 110.8 | K97 D98 R99 | S95-K97 PolarHBondContact O-N 3.09Å; S95-K97 VanDerWaalsContact O-N 3.11Å; S95-D98 CarbonylContact O-C 3.34Å; S95-D98 WeakPolarHBondContact O-CA 3.22Å; S95-D98 PolarHBondContact O-N 3.27Å; S95-D98 PolarHBondContact OG-N 3.42Å; S95-D98 PolarHBondContact OG-OD2 2.88Å; S95-R99 WeakPolarHBondContact O-CG 3.29Å; S95-R99 PolarHBondContact O-N 2.93Å | ||
| 96 | S | 79.8 | Confident | 87.9 | Confident | 87 Ų | 87 | 73.1 Ų | 73.1 | 61% | 0.608 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -53.1 | -38.5 | -176.9 | -48.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 97 | K | 82.8 | Confident | 88.2 | Confident | 162 Ų | 162 | 70 Ų | 70 | 70% | 0.704 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -70.1 | -34.3 | 176.9 | -67 | -175.1 | 179.2 | -180 | 0 | 112.9 | S95 R101 | S95-K97 PolarHBondContact O-N 3.09Å; S95-K97 VanDerWaalsContact O-N 3.11Å; K97-R101 WeakPolarHBondContact O-CD 3.18Å; K97-R101 VanDerWaalsContact O-CG 3.31Å; K97-R101 WeakPolarHBondContact O-CG 2.99Å |
| 98 | D | 84.4 | Confident | 88.3 | Confident | 61 Ų | 61 | 68.7 Ų | 68.7 | 33% | 0.326 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -79.5 | -31.9 | -179.7 | -63.8 | -34.7 | 0 | 0 | 0 | 111.6 | L94 S95 E100 R101 C102 V246 | L94-D98 HydrophobicContact CB-CB 4.1Å; L94-D98 HydrophobicContact CD1-CB 4.44Å; S95-D98 CarbonylContact O-C 3.34Å; S95-D98 WeakPolarHBondContact O-CA 3.22Å; S95-D98 PolarHBondContact O-N 3.27Å; S95-D98 PolarHBondContact OG-N 3.42Å; S95-D98 PolarHBondContact OG-OD2 2.88Å; D98-E100 PolarHBondContact O-N 2.9Å; D98-R101 CarbonylContact O-C 3.54Å; D98-R101 PolarHBondContact O-N 3.24Å; D98-R101 VanDerWaalsContact O-N 3.11Å; D98-C102 WeakPolarHBondContact O-CB 3.19Å; D98-C102 PolarHBondContact O-N 3.35Å; D98-V246 HydrophobicContact CB-CG1 3.56Å; D98-V246 WeakPolarHBondContact OD1-CG1 3.32Å |
| 99 | R | 85.7 | Confident | 88.6 | Confident | 85 Ų | 85 | 62.1 Ų | 62.1 | 32% | 0.321 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.5 | -47 | 174.9 | -73 | -180 | -166.8 | -176.4 | 5.4 | 111.9 | L90 P91 D92 L94 S95 R101 C102 | L90-R99 HydrophobicContact CD2-CB 4.32Å; P91-R99 WeakPolarHBondContact O-CD 3.4Å; P91-R99 VanDerWaalsContact O-CG 3.3Å; P91-R99 WeakPolarHBondContact O-CG 3.45Å; P91-R99 PolarHBondContact O-NE 3.26Å; P91-R99 VanDerWaalsContact O-NE 3.1Å; D92-R99 PolarHBondContact O-NH2 2.89Å; L94-R99 HydrophobicContact CB-CG 3.74Å; L94-R99 PolarHBondContact O-NE 2.89Å; L94-R99 PolarHBondContact O-NH2 3.27Å; S95-R99 WeakPolarHBondContact O-CG 3.29Å; S95-R99 PolarHBondContact O-N 2.93Å; R99-R101 PolarHBondContact O-N 3.09Å; R99-C102 PolarHBondContact O-N 3.03Å |
| 100 | E | 83.6 | Confident | 88.7 | Confident | 151 Ų | 151 | 60 Ų | 60 | 71% | 0.706 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -16.7 | 178.7 | -66.7 | 174.4 | -174.5 | 0 | 0 | 113.6 | D98 | D98-E100 PolarHBondContact O-N 2.9Š|
| 101 | R | 83.8 | Confident | 88.5 | Confident | 133 Ų | 133 | 55.1 Ų | 55.1 | 50% | 0.502 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -3 | -176.8 | -63 | -178.4 | 173.6 | -168.4 | -2.8 | 112.9 | K97 D98 R99 V246 S247 Q248 | K97-R101 WeakPolarHBondContact O-CD 3.18Å; K97-R101 VanDerWaalsContact O-CG 3.31Å; K97-R101 WeakPolarHBondContact O-CG 2.99Å; D98-R101 CarbonylContact O-C 3.54Å; D98-R101 PolarHBondContact O-N 3.24Å; D98-R101 VanDerWaalsContact O-N 3.11Å; R99-R101 PolarHBondContact O-N 3.09Å; R101-V246 HydrophobicContact CB-CG1 4.49Å; R101-S247 CarbonylContact O-C 3.51Å; R101-S247 PolarHBondContact O-N 2.93Å; R101-S247 VanDerWaalsContact O-N 3.17Å; R101-Q248 HydrophobicContact CB-CG 3.92Å; R101-Q248 HydrophobicContact CG-CG 3.84Å |
| 102 | C | 88.6 | Confident | 87.8 | Confident | 23 Ų | 23 | 59.4 Ų | 59.4 | 16% | 0.155 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 128.8 | -173.7 | -176 | 0 | 0 | 0 | 0 | 110.8 | P91 L94 D98 R99 V245 | P91-C102 HydrophobicContact CG-CB 4.41Å; L94-C102 HydrophobicContact CD1-CB 3.65Å; D98-C102 WeakPolarHBondContact O-CB 3.19Å; D98-C102 PolarHBondContact O-N 3.35Å; R99-C102 PolarHBondContact O-N 3.03Å; C102-V245 CarbonylContact C-O 3.6Å; C102-V245 WeakPolarHBondContact CA-O 3.38Å |
| 103 | Q | 90.7 | Very high | 86.5 | Confident | 41 Ų | 41 | 62.9 Ų | 62.9 | 19% | 0.192 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 115.3 | 161.8 | -61.9 | -172.9 | 21.1 | 0 | 0 | 108.3 | L86 V245 S247 S250 | L86-Q103 HydrophobicContact CD1-CB 4.16Å; Q103-V245 HydrophobicContact CB-CB 4.49Å; Q103-V245 PolarHBondContact N-O 2.99Å; Q103-V245 PolarHBondContact O-N 3.38Å; Q103-S247 PolarHBondContact NE2-O 3.35Å; Q103-S250 PolarHBondContact NE2-O 2.81Å |
| 104 | H | 93.2 | Very high | 84.8 | Confident | 8 Ų | 8 | 63.9 Ų | 63.9 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 111.1 | 173.5 | 176.2 | -170 | 0 | 0 | 0 | 110 | L86 V87 D89 H242 Y244 | L86-H104 WeakPolarHBondContact CA-O 3.19Å; L86-H104 WeakPolarHBondContact CD1-O 3.37Å; V87-H104 HydrophobicContact CB-CB 4.32Å; V87-H104 WeakPolarHBondContact CB-ND1 3.15Å; V87-H104 PolarHBondContact N-O 2.96Å; D89-H104 VanDerWaalsContact OD1-CB 3.23Å; D89-H104 WeakPolarHBondContact OD1-CB 3.45Å; D89-H104 IonicContact OD1-CE1 3.5Å; D89-H104 IonicContact OD1-CG 3.24Å; D89-H104 IonicContact OD1-ND1 2.71Å; D89-H104 PolarHBondContact OD1-ND1 3.48Å; D89-H104 IonicContact OD2-CE1 2.83Å; D89-H104 PolarHBondContact OD2-CE1 2.98Å; D89-H104 IonicContact OD2-CG 3.64Å; D89-H104 IonicContact OD2-ND1 2.58Å; D89-H104 PolarHBondContact OD2-ND1 3.16Å; H104-H242 AromaticContact CE1-ND1 3.6Å; H104-H242 AromaticContact NE2-CG 3.64Å; H104-H242 AromaticContact NE2-ND1 2.89Å; H104-H242 PolarHBondContact NE2-ND1 2.82Å; H104-Y244 HydrophobicContact CB-CD1 3.84Å; H104-Y244 HydrophobicContact CB-CE1 3.86Å; H104-Y244 AromaticContact CD2-CE1 3.68Å; H104-Y244 AromaticContact CD2-CZ 3.79Å; H104-Y244 AromaticContact CE1-CE1 3.8Å; H104-Y244 AromaticContact CE1-CZ 3.71Å; H104-Y244 PolarHBondContact CE1-OH 3.42Å; H104-Y244 AromaticContact CG-CD1 3.81Å; H104-Y244 AromaticContact CG-CE1 3.38Å; H104-Y244 AromaticContact CG-CZ 3.94Å; H104-Y244 AromaticContact ND1-CE1 3.43Å; H104-Y244 WeakPolarHBondContact ND1-CE1 3.47Å; H104-Y244 AromaticContact ND1-CZ 3.85Å; H104-Y244 AromaticContact NE2-CE1 3.96Å; H104-Y244 AromaticContact NE2-CZ 3.69Å |
| 105 | I | 95.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 120.5 | 176.7 | -51.9 | 165.8 | 0 | 0 | 0 | 108.5 | I84 E85 L86 I107 H242 L243 V245 L252 Y253 L256 | I84-I105 HydrophobicContact CG2-CG2 3.97Å; E85-I105 WeakPolarHBondContact O-CA 3.43Å; L86-I105 HydrophobicContact CD1-CG1 4.3Å; I105-I107 HydrophobicContact CG2-CG1 4.27Å; I105-H242 WeakPolarHBondContact O-CA 3.48Å; I105-L243 HydrophobicContact CB-CB 4.33Å; I105-L243 PolarHBondContact N-O 3.35Å; I105-L243 PolarHBondContact O-N 3.41Å; I105-V245 HydrophobicContact CD1-CG2 4.18Å; I105-L252 HydrophobicContact CD1-CB 4.17Å; I105-L252 HydrophobicContact CD1-CD2 4.11Å; I105-L252 HydrophobicContact CD1-CG 4.1Å; I105-Y253 HydrophobicContact CG1-CD2 4.35Å; I105-Y253 HydrophobicContact CG1-CG 4.38Å; I105-Y253 HydrophobicContact CG2-CD2 3.97Å; I105-L256 HydrophobicContact CD1-CD1 4.19Å; I105-L256 HydrophobicContact CG2-CD1 4.04Å |
| 106 | R | 95.7 | Very high | 80 | Confident | 73 Ų | 73 | 73.6 Ų | 73.6 | 28% | 0.275 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 127.3 | 173.6 | -177.4 | 174.6 | 73.2 | 153.6 | -6.5 | 109.9 | I84 E85 V87 E240 | I84-R106 WeakPolarHBondContact CA-O 3.33Å; E85-R106 PolarHBondContact N-O 3.42Å; E85-R106 PolarHBondContact O-N 2.87Å; E85-R106 IonicContact OE2-CZ 3.81Å; E85-R106 IonicContact OE2-NE 3.3Å; E85-R106 IonicContact OE2-NH2 3.96Å; E85-R106 PolarHBondContact OE2-NH2 3.33Å; V87-R106 HydrophobicContact CG2-CB 3.63Å; R106-E240 IonicContact CZ-OE1 2.78Å; R106-E240 IonicContact NE-OE1 2.74Å; R106-E240 IonicContact NH1-OE1 3.54Å; R106-E240 PolarHBondContact NH1-OE1 3.06Å |
| 107 | I | 95.7 | Very high | 78 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 114 | 176.1 | -52.2 | 167.1 | 0 | 0 | 0 | 108.7 | L76 V81 D83 I84 I105 E240 L241 L243 L256 | L76-I107 HydrophobicContact CD2-CB 4.34Å; L76-I107 HydrophobicContact CD2-CD1 4.2Å; L76-I107 HydrophobicContact CD2-CG2 3.44Å; L76-I107 VanDerWaalsContact CD2-CG2 3.44Å; V81-I107 HydrophobicContact CG1-CG2 4.09Å; V81-I107 HydrophobicContact CG2-CG2 3.99Å; D83-I107 WeakPolarHBondContact O-CA 3.5Å; I84-I107 HydrophobicContact CG1-CG2 4.29Å; I84-I107 HydrophobicContact CG2-CG1 4.28Å; I105-I107 HydrophobicContact CG2-CG1 4.27Å; I107-E240 WeakPolarHBondContact O-CA 3.39Å; I107-L241 HydrophobicContact CB-CB 4.4Å; I107-L241 HydrophobicContact CD1-CD2 4.28Å; I107-L241 PolarHBondContact N-O 3.49Å; I107-L241 PolarHBondContact O-N 2.92Å; I107-L243 HydrophobicContact CD1-CD1 4.06Å; I107-L256 HydrophobicContact CD1-CD1 4.15Å; I107-L256 HydrophobicContact CD1-CD2 4.23Å |
| 108 | S | 93 | Very high | 75.4 | Confident | 16 Ų | 16 | 79.3 Ų | 79.3 | 11% | 0.112 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 130.6 | 176.1 | -52.3 | 0 | 0 | 0 | 0 | 109.4 | R82 D83 A239 | R82-S108 PolarHBondContact N-O 3.21Å; D83-S108 PolarHBondContact N-O 3.09Å; D83-S108 PolarHBondContact O-N 2.84Å; S108-A239 WeakPolarHBondContact CA-O 3.45Å |
| 109 | Y | 92.3 | Very high | 73 | Confident | 20 Ų | 20 | 83.6 Ų | 83.6 | 8% | 0.078 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 160.3 | -173.5 | 68.7 | -82.2 | 0 | 0 | 0 | 113 | L76 R80 A239 L241 | L76-Y109 VanDerWaalsContact CD1-CB 3.42Å; L76-Y109 HydrophobicContact CD1-CD1 3.89Å; L76-Y109 HydrophobicContact CD1-CD2 3.51Å; L76-Y109 HydrophobicContact CD1-CE2 4.19Å; L76-Y109 HydrophobicContact CD1-CG 3.33Å; R80-Y109 CarbonylContact O-C 3.56Å; R80-Y109 VanDerWaalsContact O-CA 3.22Å; R80-Y109 WeakPolarHBondContact O-CA 3.48Å; R80-Y109 WeakPolarHBondContact O-CB 3.41Å; Y109-A239 HydrophobicContact CD1-CB 4.38Å; Y109-A239 VanDerWaalsContact CD1-O 3.25Å; Y109-A239 WeakPolarHBondContact CD1-O 3.48Å; Y109-A239 HydrophobicContact CD2-CB 4.44Å; Y109-A239 HydrophobicContact CE1-CB 3.9Å; Y109-A239 HydrophobicContact CE2-CB 3.99Å; Y109-A239 PolarHBondContact N-O 3.5Å; Y109-A239 PolarHBondContact O-N 3.17Å; Y109-L241 HydrophobicContact CE1-CB 3.95Å |
| 110 | I | 89.4 | Confident | 70.5 | Confident | 18 Ų | 18 | 85.2 Ų | 85.2 | 9% | 0.092 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 125.8 | 173.7 | -52.3 | -172.3 | 0 | 0 | 0 | 109.8 | R80 R82 | R80-I110 PolarHBondContact NE-O 2.68Å; R80-I110 PolarHBondContact NH1-O 2.67Å; R80-I110 PolarHBondContact NH2-O 3.25Å; R80-I110 PolarHBondContact O-N 2.98Å; R82-I110 HydrophobicContact CG-CG1 4.13Å; R82-I110 VanDerWaalsContact CZ-CD1 3.5Å |
| 111 | P | 83.6 | Confident | 68.3 | Low | 24 Ų | 24 | 88.4 Ų | 88.4 | 16% | 0.156 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 141.2 | -179.8 | 23 | -33 | 0 | 0 | 0 | 114.2 | R80 R113 R237 A239 | R80-P111 PolarHBondContact NH1-O 3.26Å; R80-P111 PolarHBondContact NH2-O 3.45Å; P111-R113 PolarHBondContact O-N 3.24Å; P111-R237 VanDerWaalsContact CD-O 3.25Å; P111-R237 WeakPolarHBondContact CD-O 3.38Å; P111-R237 WeakPolarHBondContact CG-O 3.24Å; P111-A239 HydrophobicContact CB-CB 4.32Å; P111-A239 HydrophobicContact CG-CB 4.38Å |
| 112 | E | 73.1 | Confident | 65.8 | Low | 96 Ų | 96 | 89.9 Ų | 89.9 | 45% | 0.449 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 117.7 | 174.2 | -81 | -173.2 | 170.6 | 0 | 0 | 109.3 | R77 P114 R230 | R77-E112 WeakPolarHBondContact CD-OE1 3.38Å; R77-E112 IonicContact NH1-OE1 3.38Å; R77-E112 PolarHBondContact NH1-OE1 3.06Å; E112-P114 WeakPolarHBondContact O-CD 3.48Å; E112-R230 PolarHBondContact O-NH1 2.94Å |
| 113 | R | 61 | Low | 63.3 | Low | 186 Ų | 186 | 96.7 Ų | 96.7 | 70% | 0.702 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 120.4 | 167.7 | -65.5 | -170.5 | -170.5 | -172.7 | 2.8 | 105.8 | P111 A115 E236 | P111-R113 PolarHBondContact O-N 3.24Å; R113-A115 PolarHBondContact O-N 3.22Å; R113-E236 IonicContact CZ-OE1 3.39Å; R113-E236 IonicContact NE-OE1 2.88Å; R113-E236 PolarHBondContact NE-OE1 2.92Å; R113-E236 IonicContact NH2-OE1 3.02Å; R113-E236 PolarHBondContact NH2-OE1 2.62Å |
| 114 | P | 54 | Low | 60.5 | Low | 81 Ų | 81 | 105.4 Ų | 105.4 | 53% | 0.526 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 135.5 | 170.1 | 24.6 | -29.9 | 0 | 0 | 0 | 107.3 | E112 E116 R230 | E112-P114 WeakPolarHBondContact O-CD 3.48Å; P114-E116 PolarHBondContact O-N 3.41Å; P114-R230 HydrophobicContact CG-CB 4.17Å |
| 115 | A | 37.1 | Very low | 57.7 | Low | 94 Ų | 94 | 114 Ų | 114 | 78% | 0.777 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 117.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | R113 K117 | R113-A115 PolarHBondContact O-N 3.22Å; A115-K117 PolarHBondContact O-N 3.37Å |
| 116 | E | 36.7 | Very low | 54.9 | Low | 186 Ų | 186 | 124 Ų | 124 | 87% | 0.869 | 58% | 0.578 | S | S | * | * | trans | -53.7 | 111 | 168.6 | -73.4 | 177.3 | -179.6 | 0 | 0 | 105.6 | P114 E118 | P114-E116 PolarHBondContact O-N 3.41Å; E116-E118 PolarHBondContact O-N 2.88Å; E116-E118 VanDerWaalsContact O-N 3.07Å | ||
| 117 | K | 37.6 | Very low | 51.9 | Low | 176 Ų | 176 | 132.4 Ų | 132.4 | 77% | 0.765 | 61% | 0.61 | S | S | * | * | trans | -61.3 | 115.3 | 160.4 | -74.1 | -179 | 175.5 | -177.1 | 0 | 103.6 | A115 H119 | A115-K117 PolarHBondContact O-N 3.37Å; K117-H119 VanDerWaalsContact C-N 3.28Å; K117-H119 PolarHBondContact O-CD2 3.45Å; K117-H119 PolarHBondContact O-N 3.32Å | ||
| 118 | E | 29.7 | Very low | 49 | Very low | 193 Ų | 193 | 137 Ų | 137 | 90% | 0.902 | 65% | 0.648 | S | S | * | * | trans | -45.4 | 104.4 | 162.9 | -83.3 | -179.6 | 142.4 | 0 | 0 | 106.5 | E116 D120 | E116-E118 PolarHBondContact O-N 2.88Å; E116-E118 VanDerWaalsContact O-N 3.07Å; E118-D120 PolarHBondContact O-N 3.45Å; E118-D120 VanDerWaalsContact O-N 3.1Å | ||
| 119 | H | 33.4 | Very low | 46.2 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 70% | 0.699 | 68% | 0.679 | S | S | * | * | trans | -68.3 | 112.8 | 173.2 | -85.5 | -78.1 | 0 | 0 | 0 | 104.9 | K117 W121 | K117-H119 VanDerWaalsContact C-N 3.28Å; K117-H119 PolarHBondContact O-CD2 3.45Å; K117-H119 PolarHBondContact O-N 3.32Å; H119-W121 PolarHBondContact O-N 3.45Å | ||
| 120 | D | 32.8 | Very low | 43.4 | Very low | 120 Ų | 120 | 147 Ų | 147 | 64% | 0.642 | 72% | 0.719 | S | S | * | * | trans | -62.2 | 80.5 | 178.6 | -155.2 | -0.1 | 0 | 0 | 0 | 109.3 | E118 L122 | E118-D120 PolarHBondContact O-N 3.45Å; E118-D120 VanDerWaalsContact O-N 3.1Å; D120-L122 PolarHBondContact O-N 3.04Å | ||
| 121 | W | 36.9 | Very low | 40.7 | Very low | 218 Ų | 218 | 151.8 Ų | 151.8 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -71.8 | -4.8 | 178.8 | -81.5 | 101.3 | 0 | 0 | 0 | 112.5 | H119 Q123 | H119-W121 PolarHBondContact O-N 3.45Å; W121-Q123 PolarHBondContact O-N 3.45Å |
| 122 | L | 32.2 | Very low | 38.4 | Very low | 163 Ų | 163 | 156.8 Ų | 156.8 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -88 | 3.3 | -176.4 | -76.9 | 164.8 | 0 | 0 | 0 | 114.7 | D120 | D120-L122 PolarHBondContact O-N 3.04Š|
| 123 | Q | 35.4 | Very low | 36.6 | Very low | 167 Ų | 167 | 158.9 Ų | 158.9 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | G | 310 helix | trans | -106.2 | 11 | -179.1 | -128.1 | -179.7 | 28.5 | 0 | 0 | 115.2 | W121 | W121-Q123 PolarHBondContact O-N 3.45Š|
| 124 | R | 33.2 | Very low | 35.1 | Very low | 224 Ų | 224 | 154.4 Ų | 154.4 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -119.4 | 23.2 | -179.6 | -152.7 | -177.6 | -101.7 | -145.3 | -2.4 | 115.3 | ||
| 125 | E | 34.2 | Very low | 34.1 | Very low | 188 Ų | 188 | 156.2 Ų | 156.2 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -120.3 | -0.3 | 168.3 | -79.9 | -170.1 | 156.3 | 0 | 0 | 114.9 | ||
| 126 | K | 35.9 | Very low | 34.2 | Very low | 210 Ų | 210 | 157.9 Ų | 157.9 | 91% | 0.913 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -103.9 | 36.1 | 174.3 | -84.6 | -176.5 | 175.6 | 177.3 | 0 | 114.2 | ||
| 127 | R | 32 | Very low | 33.8 | Very low | 249 Ų | 249 | 154.6 Ų | 154.6 | 94% | 0.94 | 82% | 0.817 | S | S | * | * | trans | -126.4 | 57.7 | 165.8 | -78.1 | -167.9 | -173.4 | -163.1 | 2.6 | 110.9 | ||||
| 128 | A | 35.4 | Very low | 33.4 | Very low | 97 Ų | 97 | 157.1 Ų | 157.1 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -144.3 | 114.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||
| 129 | G | 35.2 | Very low | 33.4 | Very low | 75 Ų | 75 | 158.5 Ų | 158.5 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | 101.1 | 82.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 130 | L | 33.1 | Very low | 32.9 | Very low | 172 Ų | 172 | 155.4 Ų | 155.4 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | trans | -133.4 | 127.5 | 150 | -75.4 | 174.7 | 0 | 0 | 0 | 108.8 | ||||
| 131 | P | 32.5 | Very low | 32.6 | Very low | 118 Ų | 118 | 153.9 Ų | 153.9 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 170.5 | 166.6 | 36.5 | -30.8 | 0 | 0 | 0 | 111.2 | ||
| 132 | P | 34.7 | Very low | 32.2 | Very low | 128 Ų | 128 | 152 Ų | 152 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -91 | 165.4 | -150.5 | 34.9 | -33.8 | 0 | 0 | 0 | 116.3 | ||
| 133 | V | 36.4 | Very low | 32.1 | Very low | 141 Ų | 141 | 149.7 Ų | 149.7 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 150.1 | -175 | 177 | 0 | 0 | 0 | 0 | 117.2 | ||
| 134 | A | 27.8 | Very low | 32 | Very low | 92 Ų | 92 | 147.9 Ų | 147.9 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | trans | -142.7 | 157.2 | 150 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 135 | P | 32.9 | Very low | 31.9 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | trans | -104.4 | -177 | -143.6 | 43.1 | -37.2 | 0 | 0 | 0 | 115.4 | ||||
| 136 | P | 40.8 | Very low | 31.5 | Very low | 129 Ų | 129 | 147.3 Ų | 147.3 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | -97 | 158.3 | -155.4 | 38 | -32.9 | 0 | 0 | 0 | 115.1 | ||||
| 137 | S | 28 | Very low | 31.1 | Very low | 118 Ų | 118 | 142.2 Ų | 142.2 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -137.7 | 111.8 | 167.8 | 77.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 138 | R | 28.7 | Very low | 30.9 | Very low | 229 Ų | 229 | 137.9 Ų | 137.9 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | 27.2 | 141.6 | 136.6 | -63.4 | -175.6 | 175.5 | -160.8 | -2 | 124.6 | ||||
| 139 | R | 29 | Very low | 30.4 | Very low | 221 Ų | 221 | 139.2 Ų | 139.2 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | 85.4 | 116.5 | 143.9 | -87.6 | -176.3 | -169.7 | -163.3 | 1.6 | 117.9 | ||||
| 140 | A | 24.6 | Very low | 30.1 | Very low | 87 Ų | 87 | 142.2 Ų | 142.2 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | 75 | 145.8 | 89.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 141 | S | 26.8 | Very low | 29.8 | Very low | 88 Ų | 88 | 143.5 Ų | 143.5 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | cis | -175.7 | 158.4 | 0.1 | 35.6 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 142 | H | 27.6 | Very low | 29.4 | Very low | 178 Ų | 178 | 141.6 Ų | 141.6 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | 123.9 | 112.1 | 149.2 | -66.1 | -52.2 | 0 | 0 | 0 | 116.6 | ||||
| 143 | C | 29.7 | Very low | 28.9 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | trans | -75.9 | 162.9 | 146.7 | -57 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 144 | P | 32.9 | Very low | 29.5 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | -135.8 | 147.2 | 119.9 | 30.4 | -15.5 | 0 | 0 | 0 | 113.8 | |||||
| 145 | I | 31 | Very low | 29.3 | Very low | 154 Ų | 154 | 143 Ų | 143 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -83.5 | 144.8 | 166.4 | -69.2 | 165.2 | 0 | 0 | 0 | 108.6 | ||||
| 146 | R | 26.5 | Very low | 28.9 | Very low | 247 Ų | 247 | 144.7 Ų | 144.7 | 93% | 0.932 | 78% | 0.782 | S | S | * | * | trans | -144.6 | 142.2 | 156.6 | -124.7 | -177.7 | 176.9 | -171.6 | -1.7 | 111.4 | ||||
| 147 | T | 27.3 | Very low | 28.2 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 63% | 0.632 | 77% | 0.771 | S | S | * | * | trans | -98 | 176.1 | -166.7 | 39.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 148 | H | 27.3 | Very low | 28 | Very low | 157 Ų | 157 | 147.8 Ų | 147.8 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 87.4 | 142.5 | 164.2 | -61.2 | -73.9 | 0 | 0 | 0 | 116.4 | ||||
| 149 | D | 26.3 | Very low | 27.7 | Very low | 125 Ų | 125 | 149 Ų | 149 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | cis | -175 | 165.2 | -11.5 | -115.3 | -20.4 | 0 | 0 | 0 | 108.1 | ||||
| 150 | L | 28.7 | Very low | 27.5 | Very low | 138 Ų | 138 | 147 Ų | 147 | 72% | 0.723 | 77% | 0.774 | S | S | * | * | trans | 82.7 | 112.1 | 141.8 | -80.1 | 158.1 | 0 | 0 | 0 | 122.8 | ||||
| 151 | K | 25.8 | Very low | 27.5 | Very low | 200 Ų | 200 | 151.5 Ų | 151.5 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | 99.8 | 125.9 | 113.7 | -138.9 | 176 | -158.9 | 176.7 | 0 | 119.9 | |||||
| 152 | G | 25.4 | Very low | 27.4 | Very low | 77 Ų | 77 | 156.6 Ų | 156.6 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | 139 | 94.4 | 146.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 153 | H | 24.7 | Very low | 27.2 | Very low | 191 Ų | 191 | 155.6 Ų | 155.6 | 88% | 0.884 | 79% | 0.787 | S | S | * | * | trans | -92.9 | -175.8 | 164.6 | -85.4 | -51.4 | 0 | 0 | 0 | 110.6 | ||||
| 154 | P | 47.3 | Very low | 27 | Very low | 118 Ų | 118 | 158.6 Ų | 158.6 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | cis | -140.1 | -159.7 | -43 | 39 | -19.6 | 0 | 0 | 0 | 111.9 | ||||
| 155 | A | 24.2 | Very low | 26.6 | Very low | 83 Ų | 83 | 161.3 Ų | 161.3 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | trans | 123.6 | 142.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 156 | D | 24.2 | Very low | 26.7 | Very low | 152 Ų | 152 | 158.9 Ų | 158.9 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | cis | -163.1 | 160.2 | -4.6 | -110.6 | -24.3 | 0 | 0 | 0 | 109.9 | ||||
| 157 | S | 26.4 | Very low | 26.7 | Very low | 87 Ų | 87 | 153.4 Ų | 153.4 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | trans | -74.3 | 138.1 | -178 | 52.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 158 | W | 23.1 | Very low | 26.7 | Very low | 225 Ų | 225 | 156.9 Ų | 156.9 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | -142.6 | 101.2 | 155.2 | -84.3 | 71.4 | 0 | 0 | 0 | 111.8 | ||||
| 159 | W | 23.6 | Very low | 26.7 | Very low | 254 Ų | 254 | 157.8 Ų | 157.8 | 96% | 0.962 | 80% | 0.797 | S | S | * | * | trans | -91.7 | 125.8 | 158.6 | -73.4 | 98.9 | 0 | 0 | 0 | 108.1 | ||||
| 160 | K | 24.4 | Very low | 26.9 | Very low | 181 Ų | 181 | 158 Ų | 158 | 79% | 0.787 | 80% | 0.803 | S | S | * | * | trans | -126.4 | 130.9 | 164.3 | -117.7 | -176.2 | -179.1 | -172.8 | 0 | 109.9 | ||||
| 161 | K | 24.7 | Very low | 27.1 | Very low | 181 Ų | 181 | 155.7 Ų | 155.7 | 79% | 0.787 | 80% | 0.798 | S | S | * | * | trans | -100.5 | 127.3 | -177.3 | -166.2 | -174.6 | -169.5 | -170 | 0 | 106.4 | ||||
| 162 | E | 23.6 | Very low | 27.5 | Very low | 195 Ų | 195 | 152.4 Ų | 152.4 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | trans | -150 | 120.5 | 160.3 | -147.7 | 141.2 | -157.2 | 0 | 0 | 109.7 | ||||
| 163 | E | 23.8 | Very low | 28.3 | Very low | 156 Ų | 156 | 154 Ų | 154 | 73% | 0.729 | 78% | 0.779 | S | S | * | * | trans | -84.6 | 129.3 | -179.9 | -67.2 | 173.7 | 166.2 | 0 | 0 | 109.9 | ||||
| 164 | L | 25.9 | Very low | 28.8 | Very low | 178 Ų | 178 | 147.7 Ų | 147.7 | 93% | 0.932 | 76% | 0.76 | S | S | * | * | trans | -155.9 | 115.7 | 148.2 | -78.3 | -177 | 0 | 0 | 0 | 109.3 | ||||
| 165 | H | 23.9 | Very low | 28.5 | Very low | 185 Ų | 185 | 144.8 Ų | 144.8 | 86% | 0.856 | 74% | 0.743 | S | S | * | * | trans | -90.3 | 173.3 | 165.5 | -78.7 | -74.9 | 0 | 0 | 0 | 110.1 | ||||
| 166 | P | 34.4 | Very low | 28.9 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | -129.8 | 144.5 | -52.9 | 35.4 | -19.6 | 0 | 0 | 0 | 111.2 | |||||
| 167 | V | 25.5 | Very low | 29.3 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | trans | -113 | 91.7 | 157 | 179.9 | 0 | 0 | 0 | 0 | 106.8 | K169 | V167-K169 VanDerWaalsContact C-N 3.29Å; V167-K169 HydrophobicContact CG1-CG 4.4Å; V167-K169 PolarHBondContact O-N 3.32Å | ||
| 168 | M | 27.4 | Very low | 29.6 | Very low | 177 Ų | 177 | 143.1 Ų | 143.1 | 87% | 0.872 | 73% | 0.729 | S | S | * | * | trans | -66.5 | 93.6 | 166.5 | -87.6 | -170.7 | 154.4 | 0 | 0 | 108.2 | T170 | M168-T170 PolarHBondContact O-N 2.93Š| ||
| 169 | K | 26.9 | Very low | 30 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 77% | 0.765 | 72% | 0.717 | S | S | * | * | trans | -71.2 | 108.6 | 152.2 | -74.7 | -178.1 | 178 | 179 | 0 | 106.3 | V167 S171 | V167-K169 VanDerWaalsContact C-N 3.29Å; V167-K169 HydrophobicContact CG1-CG 4.4Å; V167-K169 PolarHBondContact O-N 3.32Å; K169-S171 PolarHBondContact O-N 3.39Å | ||
| 170 | T | 31.2 | Very low | 30.9 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | trans | -63.2 | 83.3 | 161.9 | 39.2 | 0 | 0 | 0 | 0 | 108.2 | M168 R172 | M168-T170 PolarHBondContact O-N 2.93Å; T170-R172 PolarHBondContact O-N 2.9Å | ||
| 171 | S | 31.9 | Very low | 31.7 | Very low | 90 Ų | 90 | 126 Ų | 126 | 63% | 0.629 | 69% | 0.685 | S | S | * | * | trans | -68 | 95.2 | 173.1 | -61.1 | 0 | 0 | 0 | 0 | 108.8 | K169 | K169-S171 PolarHBondContact O-N 3.39Š| ||
| 172 | R | 35.7 | Very low | 32.4 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 49% | 0.494 | 68% | 0.683 | S | S | . | * | trans | -70.6 | 119.5 | 156.1 | -64.4 | -168.8 | -168 | -173.4 | 12 | 106.9 | T170 E301 | T170-R172 PolarHBondContact O-N 2.9Å; R172-E301 IonicContact CZ-OE1 2.78Å; R172-E301 VanDerWaalsContact CZ-OE1 3.3Å; R172-E301 IonicContact CZ-OE2 3.65Å; R172-E301 IonicContact NH1-OE1 2.83Å; R172-E301 IonicContact NH1-OE2 3.93Å; R172-E301 PolarHBondContact NH1-OE2 3.07Å; R172-E301 IonicContact NH2-OE1 3.38Å; R172-E301 PolarHBondContact NH2-OE1 3.27Å; R172-E301 IonicContact NH2-OE2 3.3Å; R172-E301 PolarHBondContact NH2-OE2 3.49Å | ||
| 173 | S | 40.6 | Very low | 32.8 | Very low | 109 Ų | 109 | 118.3 Ų | 118.3 | 76% | 0.762 | 67% | 0.674 | S | S | * | * | trans | -151.6 | 92.9 | 172.1 | -70 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 174 | A | 36.4 | Very low | 33.2 | Very low | 59 Ų | 59 | 118 Ų | 118 | 49% | 0.488 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -147.2 | 0.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R325 | A174-R325 PolarHBondContact O-NH1 3.36Š|
| 175 | S | 40 | Very low | 33.4 | Very low | 57 Ų | 57 | 115.6 Ų | 115.6 | 40% | 0.399 | 67% | 0.672 | S | S | . | * | trans | -156.1 | 86.6 | 179.5 | 55.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 176 | C | 32.8 | Very low | 34 | Very low | 124 Ų | 124 | 117.9 Ų | 117.9 | 84% | 0.838 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 124.5 | 149.6 | -65.4 | 0 | 0 | 0 | 0 | 106.5 | D178 | C176-D178 PolarHBondContact O-N 3.34Š|
| 177 | P | 32.8 | Very low | 33.8 | Very low | 93 Ų | 93 | 120 Ų | 120 | 60% | 0.604 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 130.4 | 166.9 | 27.7 | -28.9 | 0 | 0 | 0 | 107.9 | ||
| 178 | D | 33.3 | Very low | 34.1 | Very low | 71 Ų | 71 | 119.5 Ų | 119.5 | 38% | 0.38 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 135.4 | 169.1 | -165.5 | -10.3 | 0 | 0 | 0 | 108.3 | C176 E180 T181 R277 | C176-D178 PolarHBondContact O-N 3.34Å; D178-E180 PolarHBondContact O-N 3.36Å; D178-T181 WeakPolarHBondContact O-CB 3.42Å; D178-T181 PolarHBondContact O-N 2.85Å; D178-T181 PolarHBondContact O-OG1 2.89Å; D178-R277 IonicContact OD2-NH1 3.69Å; D178-R277 PolarHBondContact OD2-NH1 3.2Å |
| 179 | P | 30.8 | Very low | 34.3 | Very low | 93 Ų | 93 | 118.9 Ų | 118.9 | 60% | 0.604 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -53.6 | -15.5 | 175.5 | 17.6 | -32.6 | 0 | 0 | 0 | 114.5 | T181 L182 | P179-T181 PolarHBondContact O-N 2.92Å; P179-L182 PolarHBondContact O-N 3.43Å |
| 180 | E | 42.1 | Very low | 34.5 | Very low | 138 Ų | 138 | 115.8 Ų | 115.8 | 65% | 0.645 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -65.7 | -15.9 | 171.3 | -62.7 | -172.8 | 170.6 | 0 | 0 | 114 | D178 L182 R277 | D178-E180 PolarHBondContact O-N 3.36Å; E180-L182 PolarHBondContact O-N 3.32Å; E180-R277 IonicContact OE2-NH1 3.96Å |
| 181 | T | 43 | Very low | 34.5 | Very low | 69 Ų | 69 | 118.7 Ų | 118.7 | 42% | 0.423 | 68% | 0.678 | S | S | . | * | G | 310 helix | trans | -70.6 | -5.8 | 174.6 | -29.3 | 0 | 0 | 0 | 0 | 112.6 | D178 P179 | D178-T181 WeakPolarHBondContact O-CB 3.42Å; D178-T181 PolarHBondContact O-N 2.85Å; D178-T181 PolarHBondContact O-OG1 2.89Å; P179-T181 PolarHBondContact O-N 2.92Å |
| 182 | L | 38.1 | Very low | 34.5 | Very low | 145 Ų | 145 | 120.3 Ų | 120.3 | 76% | 0.759 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -115.2 | 13.1 | -177.9 | -62.6 | 175.8 | 0 | 0 | 0 | 114.5 | P179 E180 L184 | P179-L182 PolarHBondContact O-N 3.43Å; E180-L182 PolarHBondContact O-N 3.32Å; L182-L184 PolarHBondContact O-N 2.84Å |
| 183 | G | 31.9 | Very low | 34.6 | Very low | 70 Ų | 70 | 122 Ų | 122 | 72% | 0.722 | 70% | 0.704 | S | S | * | * | trans | 68.6 | 27.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 184 | L | 33 | Very low | 34.3 | Very low | 150 Ų | 150 | 122.3 Ų | 122.3 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | trans | -93.9 | 131.8 | 176.3 | -64 | 176.9 | 0 | 0 | 0 | 112.4 | L182 | L182-L184 PolarHBondContact O-N 2.84Š| ||
| 185 | P | 29.7 | Very low | 34.2 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | trans | -75.4 | 134.7 | 178.3 | 29.5 | -31.5 | 0 | 0 | 0 | 111.2 | ||||
| 186 | R | 35.7 | Very low | 33.8 | Very low | 233 Ų | 233 | 128 Ų | 128 | 88% | 0.879 | 74% | 0.737 | S | S | * | * | trans | -105.1 | 130.2 | 175.4 | -120.6 | -177.8 | -172.7 | 169.5 | 2.6 | 112.4 | ||||
| 187 | I | 31.8 | Very low | 33.8 | Very low | 147 Ų | 147 | 128 Ų | 128 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | trans | -62.6 | 143.1 | 169.4 | -62.4 | 165.1 | 0 | 0 | 0 | 109.4 | ||||
| 188 | P | 31.3 | Very low | 33.8 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | trans | -82.7 | 132.9 | -173.2 | 18.4 | -7.2 | 0 | 0 | 0 | 112.5 | ||||
| 189 | L | 30.6 | Very low | 33.6 | Very low | 164 Ų | 164 | 131.9 Ų | 131.9 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | trans | -134.4 | 153.8 | 162.9 | -90.6 | 142.3 | 0 | 0 | 0 | 109.2 | ||||
| 190 | P | 32 | Very low | 33.5 | Very low | 112 Ų | 112 | 133 Ų | 133 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 154.8 | -143 | 18.7 | -8.2 | 0 | 0 | 0 | 115.1 | ||
| 191 | H | 31 | Very low | 33 | Very low | 189 Ų | 189 | 132 Ų | 132 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 137.4 | -178.3 | -59.2 | -71.2 | 0 | 0 | 0 | 114 | ||
| 192 | P | 32.4 | Very low | 32.3 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 144.2 | 156.6 | -1 | 20.1 | 0 | 0 | 0 | 111.4 | ||
| 193 | L | 36.9 | Very low | 31.8 | Very low | 166 Ų | 166 | 137 Ų | 137 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -63 | 155.8 | 178.8 | -82.2 | 104.9 | 0 | 0 | 0 | 114.1 | ||
| 194 | P | 35.4 | Very low | 31.5 | Very low | 116 Ų | 116 | 143 Ų | 143 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 148.9 | 179.4 | 31.7 | -33.6 | 0 | 0 | 0 | 113 | ||
| 195 | P | 33.7 | Very low | 31.1 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 146 | 174.7 | 32.1 | -31.7 | 0 | 0 | 0 | 112.2 | ||
| 196 | S | 32.3 | Very low | 30.9 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 154.8 | 175.6 | 33.5 | 0 | 0 | 0 | 0 | 113 | ||
| 197 | P | 33.1 | Very low | 30.3 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -79 | 145.4 | -177.8 | 30.9 | -32.8 | 0 | 0 | 0 | 112.3 | ||
| 198 | P | 32.8 | Very low | 29.9 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 143.5 | 176.3 | 30.4 | -31.8 | 0 | 0 | 0 | 112.3 | ||
| 199 | S | 27.2 | Very low | 29.6 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 137.9 | 175.4 | 38.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 200 | S | 30.1 | Very low | 29.6 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 143.8 | 174.8 | -36.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 201 | P | 31.1 | Very low | 29.5 | Very low | 117 Ų | 117 | 142 Ų | 142 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -85 | 160.7 | 169.9 | 34.7 | -31 | 0 | 0 | 0 | 111.9 | ||
| 202 | P | 28.4 | Very low | 29.3 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 83% | 0.831 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 149.6 | -171.3 | 33.4 | -33.2 | 0 | 0 | 0 | 113.2 | ||
| 203 | E | 28 | Very low | 29.2 | Very low | 191 Ų | 191 | 148.1 Ų | 148.1 | 89% | 0.893 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 129.9 | 175.4 | -66.8 | -178.6 | 148 | 0 | 0 | 112 | ||
| 204 | E | 24.6 | Very low | 28.8 | Very low | 198 Ų | 198 | 146.6 Ų | 146.6 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | trans | -114.4 | 121.6 | 165.3 | -150.5 | 173.3 | -157.1 | 0 | 0 | 109.5 | ||||
| 205 | N | 25.3 | Very low | 28.6 | Very low | 143 Ų | 143 | 148 Ų | 148 | 77% | 0.765 | 84% | 0.837 | S | S | * | * | trans | -75.3 | 137.3 | 179.2 | -88.1 | -71.7 | 0 | 0 | 0 | 111.3 | ||||
| 206 | L | 25.5 | Very low | 28.7 | Very low | 177 Ų | 177 | 153.9 Ų | 153.9 | 93% | 0.927 | 84% | 0.843 | S | S | * | * | trans | -157.3 | 143.6 | 140.1 | -107.2 | 151.9 | 0 | 0 | 0 | 112.1 | ||||
| 207 | K | 23.6 | Very low | 28.8 | Very low | 183 Ų | 183 | 160.1 Ų | 160.1 | 80% | 0.796 | 85% | 0.849 | S | S | * | * | trans | -88.2 | 164.7 | -158.1 | -65.9 | 159.6 | 172.6 | 172.2 | 0 | 113.1 | ||||
| 208 | T | 23 | Very low | 28.9 | Very low | 126 Ų | 126 | 161.7 Ų | 161.7 | 77% | 0.773 | 85% | 0.849 | S | S | * | * | trans | 94.1 | 105.6 | 143.5 | -8.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 209 | A | 24.5 | Very low | 29.4 | Very low | 103 Ų | 103 | 157.6 Ų | 157.6 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | trans | -162.2 | 103.7 | 130.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | S211 | A209-S211 PolarHBondContact O-N 2.63Š| ||
| 210 | E | 31.5 | Very low | 30.7 | Very low | 190 Ų | 190 | 152.4 Ų | 152.4 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -61.7 | 113.7 | 174.2 | -63.6 | 169.5 | 139 | 0 | 0 | 110.5 | ||||
| 211 | S | 28.3 | Very low | 32 | Very low | 109 Ų | 109 | 151.5 Ų | 151.5 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | 176.8 | 82.1 | 147.1 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | A209 | A209-S211 PolarHBondContact O-N 2.63Š| ||
| 212 | R | 27.7 | Very low | 33.3 | Very low | 249 Ų | 249 | 146.2 Ų | 146.2 | 94% | 0.94 | 75% | 0.749 | S | S | * | * | trans | -174.8 | 36.9 | 160.2 | -108.9 | 165.3 | -178.5 | -168 | 1.3 | 114 | ||||
| 213 | Q | 29.7 | Very low | 34.7 | Very low | 194 Ų | 194 | 142.3 Ų | 142.3 | 91% | 0.907 | 72% | 0.723 | S | S | * | * | trans | -109.1 | 50.4 | -177.5 | -146.2 | 174.3 | 14.4 | 0 | 0 | 112.9 | ||||
| 214 | V | 29 | Very low | 36.1 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 81% | 0.812 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -145 | 78.1 | 162.8 | -170.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 215 | T | 30.4 | Very low | 37.6 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 90% | 0.896 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -171.1 | 16.7 | 152.5 | 13.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 216 | R | 35.8 | Very low | 39.2 | Very low | 251 Ų | 251 | 130.3 Ų | 130.3 | 95% | 0.947 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -105.8 | 16.7 | -178 | -86 | -171.8 | 175.8 | 176.9 | 0.1 | 116.1 | ||
| 217 | R | 34.8 | Very low | 40.6 | Very low | 239 Ų | 239 | 132 Ų | 132 | 90% | 0.902 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -119.2 | 13.3 | -172.6 | -92.8 | -170.3 | -177.8 | -175.3 | 2.8 | 118.2 | ||
| 218 | I | 36.1 | Very low | 41.6 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 80% | 0.795 | 65% | 0.65 | S | S | * | * | trans | -125.7 | 74.8 | 168.5 | -48.3 | 176 | 0 | 0 | 0 | 108.2 | S220 | I218-S220 PolarHBondContact O-N 2.92Å; I218-S220 VanDerWaalsContact O-N 3.12Å | ||
| 219 | G | 41.9 | Very low | 42.6 | Very low | 43 Ų | 43 | 133.1 Ų | 133.1 | 44% | 0.443 | 65% | 0.649 | S | S | . | * | trans | -59.5 | 115.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | V221 | G219-V221 PolarHBondContact O-N 3.31Š| ||
| 220 | S | 55.3 | Low | 43.9 | Very low | 9 Ų | 9 | 133.7 Ų | 133.7 | 6% | 0.063 | 63% | 0.629 | C | S | . | * | trans | -50.6 | 140.7 | -173.2 | 73.8 | 0 | 0 | 0 | 0 | 110.2 | I218 L222 T223 R224 | I218-S220 PolarHBondContact O-N 2.92Å; I218-S220 VanDerWaalsContact O-N 3.12Å; S220-L222 PolarHBondContact O-N 3.32Å; S220-L222 VanDerWaalsContact O-N 3.13Å; S220-T223 PolarHBondContact O-N 3.01Å; S220-T223 PolarHBondContact OG-N 3.49Å; S220-T223 PolarHBondContact OG-OG1 3.43Å; S220-R224 PolarHBondContact O-N 3.43Å | ||
| 221 | V | 57.9 | Low | 44.4 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 59% | 0.588 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -52.7 | -34.2 | 174.9 | 174.9 | 0 | 0 | 0 | 0 | 109.4 | G219 R224 L225 | G219-V221 PolarHBondContact O-N 3.31Å; V221-R224 CarbonylContact O-C 3.04Å; V221-R224 WeakPolarHBondContact O-CB 3.4Å; V221-R224 PolarHBondContact O-N 3.45Å; V221-R224 VanDerWaalsContact O-N 3.16Å; V221-L225 HydrophobicContact CG1-CD1 3.8Å; V221-L225 HydrophobicContact CG1-CG 4.04Å; V221-L225 WeakPolarHBondContact O-CB 3.33Å; V221-L225 VanDerWaalsContact O-CG 3.3Å; V221-L225 WeakPolarHBondContact O-CG 3.42Å; V221-L225 PolarHBondContact O-N 2.9Å |
| 222 | L | 57.4 | Low | 44.9 | Very low | 6 Ų | 6 | 131.2 Ų | 131.2 | 3% | 0.031 | 62% | 0.624 | C | S | . | * | H | α-helix | trans | -55.9 | -49.6 | 171 | -82.7 | 179.6 | 0 | 0 | 0 | 114.9 | I48 M53 E66 S220 R224 L225 L226 | I48-L222 HydrophobicContact CD1-CD2 3.85Å; I48-L222 HydrophobicContact CG1-CD2 4.32Å; M53-L222 HydrophobicContact CE-CD1 3.83Å; M53-L222 HydrophobicContact CE-CD2 3.22Å; M53-L222 HydrophobicContact CE-CG 3.9Å; M53-L222 HydrophobicContact SD-CD1 4.02Å; M53-L222 HydrophobicContact SD-CD2 3.99Å; E66-L222 HydrophobicContact CG-CD1 3.6Å; E66-L222 HydrophobicContact CG-CG 4.29Å; E66-L222 WeakPolarHBondContact OE1-CD1 3.43Å; S220-L222 PolarHBondContact O-N 3.32Å; S220-L222 VanDerWaalsContact O-N 3.13Å; L222-R224 PolarHBondContact O-N 3.33Å; L222-L225 PolarHBondContact O-N 3.1Å; L222-L226 WeakPolarHBondContact O-CB 3.36Å; L222-L226 WeakPolarHBondContact O-CG 3.17Å; L222-L226 PolarHBondContact O-N 3.47Å |
| 223 | T | 59.3 | Low | 45.6 | Very low | 46 Ų | 46 | 123 Ų | 123 | 28% | 0.282 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.8 | -29.1 | 178.2 | -45.3 | 0 | 0 | 0 | 0 | 111.4 | S220 R227 | S220-T223 PolarHBondContact O-N 3.01Å; S220-T223 PolarHBondContact OG-N 3.49Å; S220-T223 PolarHBondContact OG-OG1 3.43Å; T223-R227 VanDerWaalsContact O-CB 3.3Å; T223-R227 WeakPolarHBondContact O-CB 3.22Å; T223-R227 VanDerWaalsContact O-CG 3.24Å; T223-R227 WeakPolarHBondContact O-CG 3.34Å |
| 224 | R | 56.8 | Low | 46.2 | Very low | 154 Ų | 154 | 126.3 Ų | 126.3 | 58% | 0.581 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.8 | -46 | 173.3 | -66.7 | -179.4 | 178.4 | 175.9 | -0.1 | 111.4 | S220 V221 L222 L226 R227 R228 | S220-R224 PolarHBondContact O-N 3.43Å; V221-R224 CarbonylContact O-C 3.04Å; V221-R224 WeakPolarHBondContact O-CB 3.4Å; V221-R224 PolarHBondContact O-N 3.45Å; V221-R224 VanDerWaalsContact O-N 3.16Å; L222-R224 PolarHBondContact O-N 3.33Å; R224-L226 PolarHBondContact O-N 3.43Å; R224-R227 CarbonylContact O-C 3.55Å; R224-R227 PolarHBondContact O-N 3.06Å; R224-R228 WeakPolarHBondContact O-CB 3.45Å; R224-R228 PolarHBondContact O-N 2.97Å |
| 225 | L | 55.2 | Low | 47.2 | Very low | 76 Ų | 76 | 125.5 Ų | 125.5 | 40% | 0.398 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.6 | -43.8 | 179.5 | -72.4 | 172.9 | 0 | 0 | 0 | 111.9 | V221 L222 R227 | V221-L225 HydrophobicContact CG1-CD1 3.8Å; V221-L225 HydrophobicContact CG1-CG 4.04Å; V221-L225 WeakPolarHBondContact O-CB 3.33Å; V221-L225 VanDerWaalsContact O-CG 3.3Å; V221-L225 WeakPolarHBondContact O-CG 3.42Å; V221-L225 PolarHBondContact O-N 2.9Å; L222-L225 PolarHBondContact O-N 3.1Å; L225-R227 PolarHBondContact O-N 3.48Å |
| 226 | L | 59.5 | Low | 48.4 | Very low | 49 Ų | 49 | 124 Ų | 124 | 26% | 0.257 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.6 | -12.4 | 175.3 | -69.1 | 167.3 | 0 | 0 | 0 | 113.5 | V47 I48 T73 L222 R224 | V47-L226 HydrophobicContact CG2-CD2 3.86Å; I48-L226 HydrophobicContact CD1-CD2 4.29Å; T73-L226 HydrophobicContact CG2-CD1 3.43Å; T73-L226 VanDerWaalsContact CG2-CD1 3.43Å; L222-L226 WeakPolarHBondContact O-CB 3.36Å; L222-L226 WeakPolarHBondContact O-CG 3.17Å; L222-L226 PolarHBondContact O-N 3.47Å; R224-L226 PolarHBondContact O-N 3.43Å |
| 227 | R | 54.6 | Low | 50 | Low | 213 Ų | 213 | 119.8 Ų | 119.8 | 80% | 0.804 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -105.3 | -17.7 | 178.4 | -80.7 | -175.9 | 169.4 | -174.8 | -3.4 | 114.9 | T223 R224 L225 | T223-R227 VanDerWaalsContact O-CB 3.3Å; T223-R227 WeakPolarHBondContact O-CB 3.22Å; T223-R227 VanDerWaalsContact O-CG 3.24Å; T223-R227 WeakPolarHBondContact O-CG 3.34Å; R224-R227 CarbonylContact O-C 3.55Å; R224-R227 PolarHBondContact O-N 3.06Å; L225-R227 PolarHBondContact O-N 3.48Å |
| 228 | R | 44.9 | Very low | 52.3 | Low | 195 Ų | 195 | 113.2 Ų | 113.2 | 74% | 0.736 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -94.6 | -16.5 | -156.3 | -164.4 | 165.3 | -173.1 | 156.9 | 2.7 | 117.6 | R224 | R224-R228 WeakPolarHBondContact O-CB 3.45Å; R224-R228 PolarHBondContact O-N 2.97Å |
| 229 | D | 44 | Very low | 54.9 | Low | 138 Ų | 138 | 106 Ų | 106 | 74% | 0.738 | 51% | 0.51 | S | S | * | . | trans | -130.5 | 82.3 | -179.5 | -89.4 | -29.5 | 0 | 0 | 0 | 113.4 | ||||
| 230 | R | 51.4 | Low | 57.4 | Low | 114 Ų | 114 | 106.9 Ų | 106.9 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | trans | -140.6 | 49.5 | 162.1 | -71.8 | -163.9 | -179.5 | 135.6 | 10.4 | 111.7 | E112 P114 | E112-R230 PolarHBondContact O-NH1 2.94Å; P114-R230 HydrophobicContact CG-CB 4.17Å | ||
| 231 | A | 42.7 | Very low | 59.4 | Low | 83 Ų | 83 | 106.7 Ų | 106.7 | 69% | 0.686 | 50% | 0.501 | S | S | * | . | trans | -101.6 | 132.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 232 | D | 39.1 | Very low | 61.2 | Low | 164 Ų | 164 | 103.5 Ų | 103.5 | 88% | 0.877 | 48% | 0.48 | S | S | * | . | S | Bend | trans | 79 | 66.8 | 168.8 | -52.9 | -24.9 | 0 | 0 | 0 | 118.5 | ||
| 233 | S | 41.1 | Very low | 63 | Low | 78 Ų | 78 | 103.2 Ų | 103.2 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | trans | -150.5 | 117.1 | 140.9 | 67.6 | 0 | 0 | 0 | 0 | 110.9 | E235 | S233-E235 PolarHBondContact O-N 3.49Š| ||
| 234 | R | 43.3 | Very low | 64.7 | Low | 262 Ų | 262 | 102 Ų | 102 | 99% | 0.989 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -71.3 | 5.1 | -178.3 | -143.8 | 177.8 | -171 | -141.1 | 3.2 | 113.8 | ||
| 235 | E | 49.1 | Very low | 66.4 | Low | 117 Ų | 117 | 94.7 Ų | 94.7 | 55% | 0.547 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -112.4 | 131.3 | 179.1 | -69.3 | 171.7 | 162.2 | 0 | 0 | 109.2 | S233 R237 | S233-E235 PolarHBondContact O-N 3.49Å; E235-R237 HydrophobicContact CB-CG 4.08Å; E235-R237 PolarHBondContact O-N 2.71Å; E235-R237 IonicContact OE2-CZ 2.97Å; E235-R237 IonicContact OE2-NE 2.8Å; E235-R237 PolarHBondContact OE2-NE 2.79Å; E235-R237 IonicContact OE2-NH2 3.87Å; E235-R237 PolarHBondContact OE2-NH2 3.29Å |
| 236 | E | 57 | Low | 67.9 | Low | 115 Ų | 115 | 93.5 Ų | 93.5 | 54% | 0.537 | 44% | 0.437 | S | S | . | . | trans | -67.7 | 79.2 | 164.1 | -74 | -171.5 | 162.9 | 0 | 0 | 108.9 | R113 | R113-E236 IonicContact CZ-OE1 3.39Å; R113-E236 IonicContact NE-OE1 2.88Å; R113-E236 PolarHBondContact NE-OE1 2.92Å; R113-E236 IonicContact NH2-OE1 3.02Å; R113-E236 PolarHBondContact NH2-OE1 2.62Å | ||
| 237 | R | 68.8 | Low | 69 | Low | 163 Ų | 163 | 92.9 Ų | 92.9 | 62% | 0.615 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -73.1 | 133.5 | 170.2 | -65.2 | -172.5 | -170.5 | -176.5 | 4.7 | 108.8 | P111 E235 A239 | P111-R237 VanDerWaalsContact CD-O 3.25Å; P111-R237 WeakPolarHBondContact CD-O 3.38Å; P111-R237 WeakPolarHBondContact CG-O 3.24Å; E235-R237 HydrophobicContact CB-CG 4.08Å; E235-R237 PolarHBondContact O-N 2.71Å; E235-R237 IonicContact OE2-CZ 2.97Å; E235-R237 IonicContact OE2-NE 2.8Å; E235-R237 PolarHBondContact OE2-NE 2.79Å; E235-R237 IonicContact OE2-NH2 3.87Å; E235-R237 PolarHBondContact OE2-NH2 3.29Å; R237-A239 PolarHBondContact O-N 3.05Å |
| 238 | D | 83.5 | Confident | 69.8 | Low | 100 Ų | 100 | 88.7 Ų | 88.7 | 54% | 0.535 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 131.9 | 168.8 | -74.3 | -28.9 | 0 | 0 | 0 | 108.4 | ||
| 239 | A | 90.9 | Very high | 71.3 | Confident | 4 Ų | 4 | 84.8 Ų | 84.8 | 3% | 0.033 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 153 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | S108 Y109 P111 R237 | S108-A239 WeakPolarHBondContact CA-O 3.45Å; Y109-A239 HydrophobicContact CD1-CB 4.38Å; Y109-A239 VanDerWaalsContact CD1-O 3.25Å; Y109-A239 WeakPolarHBondContact CD1-O 3.48Å; Y109-A239 HydrophobicContact CD2-CB 4.44Å; Y109-A239 HydrophobicContact CE1-CB 3.9Å; Y109-A239 HydrophobicContact CE2-CB 3.99Å; Y109-A239 PolarHBondContact N-O 3.5Å; Y109-A239 PolarHBondContact O-N 3.17Å; P111-A239 HydrophobicContact CB-CB 4.32Å; P111-A239 HydrophobicContact CG-CB 4.38Å; R237-A239 PolarHBondContact O-N 3.05Å |
| 240 | E | 94.6 | Very high | 73.1 | Confident | 62 Ų | 62 | 78.4 Ų | 78.4 | 29% | 0.29 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 137.3 | -179.6 | -58.9 | -166.7 | 146.4 | 0 | 0 | 111.7 | R106 I107 H242 | R106-E240 IonicContact CZ-OE1 2.78Å; R106-E240 IonicContact NE-OE1 2.74Å; R106-E240 IonicContact NH1-OE1 3.54Å; R106-E240 PolarHBondContact NH1-OE1 3.06Å; I107-E240 WeakPolarHBondContact O-CA 3.39Å; E240-H242 WeakPolarHBondContact CB-NE2 3.47Å; E240-H242 IonicContact OE2-CE1 4Å; E240-H242 PolarHBondContact OE2-CE1 3.3Å; E240-H242 IonicContact OE2-NE2 2.72Å; E240-H242 PolarHBondContact OE2-NE2 2.75Å |
| 241 | L | 95.4 | Very high | 74.6 | Confident | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 120.6 | 168.7 | 175.7 | 66.8 | 0 | 0 | 0 | 108.1 | V43 A75 I107 Y109 L243 | V43-L241 HydrophobicContact CG1-CD1 3.65Å; A75-L241 HydrophobicContact CB-CD2 4.3Å; I107-L241 HydrophobicContact CB-CB 4.4Å; I107-L241 HydrophobicContact CD1-CD2 4.28Å; I107-L241 PolarHBondContact N-O 3.49Å; I107-L241 PolarHBondContact O-N 2.92Å; Y109-L241 HydrophobicContact CE1-CB 3.95Å; L241-L243 HydrophobicContact CD1-CD2 4.27Å; L241-L243 HydrophobicContact CD2-CD2 4.35Å; L241-L243 HydrophobicContact CG-CD2 4.13Å; L241-L243 HydrophobicContact CG-CG 4.5Å |
| 242 | H | 96.1 | Very high | 76.8 | Confident | 30 Ų | 30 | 70.1 Ų | 70.1 | 14% | 0.139 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.4 | 179.7 | -54.6 | -101.2 | 0 | 0 | 0 | 109.8 | V43 V44 H104 I105 E240 Y244 | V43-H242 WeakPolarHBondContact CA-O 3.35Å; V44-H242 HydrophobicContact CB-CB 4.09Å; V44-H242 PolarHBondContact N-O 3.26Å; V44-H242 PolarHBondContact O-N 3.42Å; H104-H242 AromaticContact CE1-ND1 3.6Å; H104-H242 AromaticContact NE2-CG 3.64Å; H104-H242 AromaticContact NE2-ND1 2.89Å; H104-H242 PolarHBondContact NE2-ND1 2.82Å; I105-H242 WeakPolarHBondContact O-CA 3.48Å; E240-H242 WeakPolarHBondContact CB-NE2 3.47Å; E240-H242 IonicContact OE2-CE1 4Å; E240-H242 PolarHBondContact OE2-CE1 3.3Å; E240-H242 IonicContact OE2-NE2 2.72Å; E240-H242 PolarHBondContact OE2-NE2 2.75Å; H242-Y244 HydrophobicContact CB-CD2 4.36Å; H242-Y244 HydrophobicContact CB-CE2 3.68Å |
| 243 | L | 96.1 | Very high | 79.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 113.9 | 176.5 | -51.9 | 176.9 | 0 | 0 | 0 | 108.4 | V43 A55 L64 I105 I107 L241 L252 L256 | V43-L243 HydrophobicContact CG1-CD2 4.36Å; V43-L243 HydrophobicContact CG2-CD2 3.97Å; A55-L243 HydrophobicContact CB-CD1 4.23Å; L64-L243 HydrophobicContact CD2-CD2 4.47Å; I105-L243 HydrophobicContact CB-CB 4.33Å; I105-L243 PolarHBondContact N-O 3.35Å; I105-L243 PolarHBondContact O-N 3.41Å; I107-L243 HydrophobicContact CD1-CD1 4.06Å; L241-L243 HydrophobicContact CD1-CD2 4.27Å; L241-L243 HydrophobicContact CD2-CD2 4.35Å; L241-L243 HydrophobicContact CG-CD2 4.13Å; L241-L243 HydrophobicContact CG-CG 4.5Å; L243-L252 HydrophobicContact CD1-CD2 4.12Å; L243-L256 HydrophobicContact CD1-CD1 4.14Å |
| 244 | Y | 94.7 | Very high | 81.1 | Confident | 21 Ų | 21 | 60 Ų | 60 | 8% | 0.082 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 101.1 | 176.8 | -62.3 | -92.6 | 0 | 0 | 0 | 108.9 | C41 V42 V44 P91 F93 H104 H242 | C41-Y244 CarbonylContact C-O 3.58Å; C41-Y244 VanDerWaalsContact CA-O 3.29Å; C41-Y244 WeakPolarHBondContact CA-O 3.19Å; C41-Y244 WeakPolarHBondContact CB-O 3.38Å; V42-Y244 PolarHBondContact N-O 3.15Å; V42-Y244 PolarHBondContact O-N 3.23Å; V44-Y244 HydrophobicContact CB-CE2 4.1Å; V44-Y244 HydrophobicContact CG2-CD2 4.06Å; V44-Y244 HydrophobicContact CG2-CE2 3.58Å; P91-Y244 HydrophobicContact CB-CD1 4.07Å; P91-Y244 HydrophobicContact CB-CE1 3.91Å; P91-Y244 HydrophobicContact CG-CD1 3.97Å; P91-Y244 HydrophobicContact CG-CE1 4.2Å; F93-Y244 HydrophobicContact CE1-CE1 4.26Å; F93-Y244 HydrophobicContact CE1-CE2 4.28Å; F93-Y244 HydrophobicContact CE2-CD2 4.5Å; F93-Y244 HydrophobicContact CE2-CG 4.37Å; F93-Y244 AromaticContact CZ-CD1 3.83Å; F93-Y244 HydrophobicContact CZ-CD1 3.83Å; F93-Y244 AromaticContact CZ-CD2 3.72Å; F93-Y244 HydrophobicContact CZ-CD2 3.72Å; F93-Y244 AromaticContact CZ-CE1 3.9Å; F93-Y244 HydrophobicContact CZ-CE1 3.9Å; F93-Y244 AromaticContact CZ-CE2 3.78Å; F93-Y244 HydrophobicContact CZ-CE2 3.78Å; F93-Y244 AromaticContact CZ-CG 3.73Å; F93-Y244 HydrophobicContact CZ-CG 3.73Å; F93-Y244 AromaticContact CZ-CZ 3.87Å; H104-Y244 HydrophobicContact CB-CD1 3.84Å; H104-Y244 HydrophobicContact CB-CE1 3.86Å; H104-Y244 AromaticContact CD2-CE1 3.68Å; H104-Y244 AromaticContact CD2-CZ 3.79Å; H104-Y244 AromaticContact CE1-CE1 3.8Å; H104-Y244 AromaticContact CE1-CZ 3.71Å; H104-Y244 PolarHBondContact CE1-OH 3.42Å; H104-Y244 AromaticContact CG-CD1 3.81Å; H104-Y244 AromaticContact CG-CE1 3.38Å; H104-Y244 AromaticContact CG-CZ 3.94Å; H104-Y244 AromaticContact ND1-CE1 3.43Å; H104-Y244 WeakPolarHBondContact ND1-CE1 3.47Å; H104-Y244 AromaticContact ND1-CZ 3.85Å; H104-Y244 AromaticContact NE2-CE1 3.96Å; H104-Y244 AromaticContact NE2-CZ 3.69Å; H242-Y244 HydrophobicContact CB-CD2 4.36Å; H242-Y244 HydrophobicContact CB-CE2 3.68Å |
| 245 | V | 92.3 | Very high | 83.1 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 112.5 | -177.9 | -167.8 | 0 | 0 | 0 | 0 | 109.5 | E39 C41 C102 Q103 I105 S247 S250 L252 | E39-V245 HydrophobicContact CB-CG1 4.5Å; E39-V245 WeakPolarHBondContact OE2-CG1 3.29Å; C41-V245 HydrophobicContact CB-CG2 3.99Å; C102-V245 CarbonylContact C-O 3.6Å; C102-V245 WeakPolarHBondContact CA-O 3.38Å; Q103-V245 HydrophobicContact CB-CB 4.49Å; Q103-V245 PolarHBondContact N-O 2.99Å; Q103-V245 PolarHBondContact O-N 3.38Å; I105-V245 HydrophobicContact CD1-CG2 4.18Å; V245-S247 PolarHBondContact O-N 3.09Å; V245-S250 WeakPolarHBondContact CG1-OG 3.24Å; V245-L252 HydrophobicContact CG2-CB 4.4Å; V245-L252 HydrophobicContact CG2-CD2 3.62Å |
| 246 | V | 87.4 | Confident | 85.1 | Confident | 50 Ų | 50 | 43.5 Ų | 43.5 | 30% | 0.303 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 66.9 | -179.5 | -169.1 | 0 | 0 | 0 | 0 | 110 | L94 D98 R101 | L94-V246 HydrophobicContact CD1-CG2 3.85Å; L94-V246 HydrophobicContact CD2-CG2 4.19Å; D98-V246 HydrophobicContact CB-CG1 3.56Å; D98-V246 WeakPolarHBondContact OD1-CG1 3.32Å; R101-V246 HydrophobicContact CB-CG1 4.49Å |
| 247 | S | 82.6 | Confident | 86.5 | Confident | 36 Ų | 36 | 40.3 Ų | 40.3 | 25% | 0.252 | 20% | 0.201 | S | C | . | . | trans | -156.9 | 121.1 | 177.5 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | R101 Q103 V245 T249 S250 | R101-S247 CarbonylContact O-C 3.51Å; R101-S247 PolarHBondContact O-N 2.93Å; R101-S247 VanDerWaalsContact O-N 3.17Å; Q103-S247 PolarHBondContact NE2-O 3.35Å; V245-S247 PolarHBondContact O-N 3.09Å; S247-T249 PolarHBondContact O-N 3.49Å; S247-T249 PolarHBondContact OG-N 3.4Å; S247-T249 PolarHBondContact OG-OG1 3.36Å; S247-S250 WeakPolarHBondContact O-CB 3.42Å; S247-S250 PolarHBondContact O-N 2.9Å; S247-S250 PolarHBondContact OG-N 3.39Å | ||
| 248 | Q | 71.8 | Confident | 87.3 | Confident | 125 Ų | 125 | 32.6 Ų | 32.6 | 58% | 0.584 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -23.7 | 175.2 | -72.4 | 179.8 | -15.8 | 0 | 0 | 112.5 | R101 | R101-Q248 HydrophobicContact CB-CG 3.92Å; R101-Q248 HydrophobicContact CG-CG 3.84Å |
| 249 | T | 75 | Confident | 87.5 | Confident | 113 Ų | 113 | 28.1 Ų | 28.1 | 69% | 0.693 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 14.4 | 179.9 | 66.7 | 0 | 0 | 0 | 0 | 112.4 | S247 T251 | S247-T249 PolarHBondContact O-N 3.49Å; S247-T249 PolarHBondContact OG-N 3.4Å; S247-T249 PolarHBondContact OG-OG1 3.36Å; T249-T251 PolarHBondContact O-N 2.92Å |
| 250 | S | 82.8 | Confident | 87.5 | Confident | 5 Ų | 5 | 28.9 Ų | 28.9 | 4% | 0.035 | 15% | 0.151 | C | C | . | . | trans | -59.8 | 135.2 | 176.4 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | E39 Q103 V245 S247 L252 | E39-S250 PolarHBondContact OE1-OG 2.92Å; E39-S250 WeakPolarHBondContact OE2-CA 3.49Å; E39-S250 WeakPolarHBondContact OE2-CB 3.26Å; E39-S250 PolarHBondContact OE2-OG 3.28Å; Q103-S250 PolarHBondContact NE2-O 2.81Å; V245-S250 WeakPolarHBondContact CG1-OG 3.24Å; S247-S250 WeakPolarHBondContact O-CB 3.42Å; S247-S250 PolarHBondContact O-N 2.9Å; S247-S250 PolarHBondContact OG-N 3.39Å; S250-L252 PolarHBondContact OG-N 3.47Å | ||
| 251 | T | 82.8 | Confident | 87.3 | Confident | 21 Ų | 21 | 27.3 Ų | 27.3 | 13% | 0.129 | 15% | 0.145 | C | C | . | . | trans | -108.1 | 3.6 | 173.7 | 65.7 | 0 | 0 | 0 | 0 | 111.5 | E39 T249 Y253 L254 H255 C455 | E39-T251 PolarHBondContact OE1-N 3.15Å; T249-T251 PolarHBondContact O-N 2.92Å; T251-Y253 VanDerWaalsContact C-N 3.34Å; T251-Y253 PolarHBondContact O-N 2.91Å; T251-L254 WeakPolarHBondContact O-CB 3.47Å; T251-L254 PolarHBondContact O-N 3.25Å; T251-L254 VanDerWaalsContact O-N 3.09Å; T251-H255 PolarHBondContact O-CD2 3.01Å; T251-H255 PolarHBondContact O-N 3.45Å; T251-H255 PolarHBondContact OG1-CD2 2.95Å; T251-H255 PolarHBondContact OG1-NE2 3.15Å; T251-C455 HydrophobicContact CG2-CB 4.5Å; T251-C455 WeakPolarHBondContact CG2-SG 3.46Å | ||
| 252 | L | 87.9 | Confident | 87 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.7 | -45.5 | -175.3 | -175.1 | 63.3 | 0 | 0 | 0 | 112.7 | T37 E39 A55 I105 L243 V245 S250 L254 H255 L256 | T37-L252 HydrophobicContact CG2-CD1 3.78Å; E39-L252 HydrophobicContact CB-CD2 4.45Å; E39-L252 HydrophobicContact CG-CB 4.45Å; E39-L252 PolarHBondContact OE1-N 3.21Å; A55-L252 HydrophobicContact CB-CD2 4Å; I105-L252 HydrophobicContact CD1-CB 4.17Å; I105-L252 HydrophobicContact CD1-CD2 4.11Å; I105-L252 HydrophobicContact CD1-CG 4.1Å; L243-L252 HydrophobicContact CD1-CD2 4.12Å; V245-L252 HydrophobicContact CG2-CB 4.4Å; V245-L252 HydrophobicContact CG2-CD2 3.62Å; S250-L252 PolarHBondContact OG-N 3.47Å; L252-L254 VanDerWaalsContact C-N 3.33Å; L252-L254 PolarHBondContact O-N 3.13Å; L252-H255 PolarHBondContact O-N 2.74Å; L252-L256 HydrophobicContact CD1-CD1 4.41Å; L252-L256 HydrophobicContact CG-CD1 3.98Å; L252-L256 WeakPolarHBondContact O-CB 3.39Å; L252-L256 WeakPolarHBondContact O-CG 3.23Å; L252-L256 PolarHBondContact O-N 3.34Å |
| 253 | Y | 87.7 | Confident | 86.7 | Confident | 19 Ų | 19 | 27.1 Ų | 27.1 | 8% | 0.075 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 178.4 | 176.3 | -134.2 | 0 | 0 | 0 | 112.3 | I84 L86 I105 T251 L256 Q257 | I84-Y253 HydrophobicContact CG2-CD2 4.01Å; I84-Y253 HydrophobicContact CG2-CE2 3.84Å; L86-Y253 HydrophobicContact CB-CD1 4.18Å; L86-Y253 HydrophobicContact CB-CE1 3.69Å; L86-Y253 HydrophobicContact CB-CE2 4.39Å; L86-Y253 HydrophobicContact CD1-CD1 4.21Å; L86-Y253 HydrophobicContact CD1-CG 4.41Å; L86-Y253 HydrophobicContact CD2-CD1 4.47Å; L86-Y253 HydrophobicContact CD2-CE1 4.38Å; L86-Y253 HydrophobicContact CG-CE1 4.44Å; I105-Y253 HydrophobicContact CG1-CD2 4.35Å; I105-Y253 HydrophobicContact CG1-CG 4.38Å; I105-Y253 HydrophobicContact CG2-CD2 3.97Å; T251-Y253 VanDerWaalsContact C-N 3.34Å; T251-Y253 PolarHBondContact O-N 2.91Å; Y253-L256 WeakPolarHBondContact O-CB 3.38Å; Y253-L256 PolarHBondContact O-N 3.4Å; Y253-Q257 HydrophobicContact CD2-CG 4.03Å; Y253-Q257 VanDerWaalsContact CE2-CD 3.47Å; Y253-Q257 HydrophobicContact CE2-CG 3.6Å; Y253-Q257 WeakPolarHBondContact O-CG 3.37Å; Y253-Q257 PolarHBondContact O-N 3.1Å; Y253-Q257 VanDerWaalsContact OH-CD 3.32Å; Y253-Q257 PolarHBondContact OH-NE2 2.99Å; Y253-Q257 PolarHBondContact OH-OE1 3.31Å |
| 254 | L | 82.6 | Confident | 86.6 | Confident | 11 Ų | 11 | 27.3 Ų | 27.3 | 6% | 0.058 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.5 | -49.1 | 178.2 | -70 | 165.6 | 0 | 0 | 0 | 111.5 | T251 L252 L256 Q257 S258 E451 R454 C455 | T251-L254 WeakPolarHBondContact O-CB 3.47Å; T251-L254 PolarHBondContact O-N 3.25Å; T251-L254 VanDerWaalsContact O-N 3.09Å; L252-L254 VanDerWaalsContact C-N 3.33Å; L252-L254 PolarHBondContact O-N 3.13Å; L254-L256 VanDerWaalsContact C-N 3.28Å; L254-L256 PolarHBondContact O-N 2.87Å; L254-Q257 PolarHBondContact O-N 3.43Å; L254-S258 WeakPolarHBondContact O-CB 3.39Å; L254-S258 PolarHBondContact O-N 3.34Å; L254-E451 WeakPolarHBondContact CD1-O 3.13Å; L254-R454 HydrophobicContact CD1-CB 3.42Å; L254-R454 VanDerWaalsContact CD1-CB 3.42Å; L254-R454 HydrophobicContact CD1-CG 4.43Å; L254-R454 HydrophobicContact CD2-CB 3.85Å; L254-R454 HydrophobicContact CD2-CG 3.95Å; L254-R454 HydrophobicContact CG-CB 3.91Å; L254-R454 HydrophobicContact CG-CG 4.45Å; L254-C455 WeakPolarHBondContact CD1-SG 3.22Å |
| 255 | H | 85.8 | Confident | 86.5 | Confident | 30 Ų | 30 | 26.5 Ų | 26.5 | 14% | 0.139 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.3 | -38.2 | 178.6 | -68.4 | -60.6 | 0 | 0 | 0 | 111.2 | T37 L57 T251 L252 S258 C259 | T37-H255 HydrophobicContact CG2-CB 3.71Å; L57-H255 VanDerWaalsContact CD2-C 3.41Å; L57-H255 HydrophobicContact CD2-CB 3.63Å; T251-H255 PolarHBondContact O-CD2 3.01Å; T251-H255 PolarHBondContact O-N 3.45Å; T251-H255 PolarHBondContact OG1-CD2 2.95Å; T251-H255 PolarHBondContact OG1-NE2 3.15Å; L252-H255 PolarHBondContact O-N 2.74Å; H255-S258 PolarHBondContact O-N 3.42Å; H255-C259 VanDerWaalsContact O-CB 3.22Å; H255-C259 WeakPolarHBondContact O-CB 3.48Å; H255-C259 PolarHBondContact O-N 3.16Å; H255-C259 PolarHBondContact O-SG 3.49Å |
| 256 | L | 90.7 | Very high | 86.4 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.3 | -49.5 | 173.6 | -82.5 | 166.1 | 0 | 0 | 0 | 111.8 | L57 V62 I84 I105 I107 L243 L252 Y253 L254 W260 | L57-L256 HydrophobicContact CD1-CD2 3.64Å; L57-L256 HydrophobicContact CD1-CG 4.44Å; L57-L256 HydrophobicContact CD2-CD2 4.19Å; L57-L256 HydrophobicContact CD2-CG 4.11Å; L57-L256 HydrophobicContact CG-CD2 4.49Å; V62-L256 HydrophobicContact CG2-CD2 3.65Å; I84-L256 HydrophobicContact CD1-CB 4.28Å; I84-L256 HydrophobicContact CG2-CB 4.44Å; I105-L256 HydrophobicContact CD1-CD1 4.19Å; I105-L256 HydrophobicContact CG2-CD1 4.04Å; I107-L256 HydrophobicContact CD1-CD1 4.15Å; I107-L256 HydrophobicContact CD1-CD2 4.23Å; L243-L256 HydrophobicContact CD1-CD1 4.14Å; L252-L256 HydrophobicContact CD1-CD1 4.41Å; L252-L256 HydrophobicContact CG-CD1 3.98Å; L252-L256 WeakPolarHBondContact O-CB 3.39Å; L252-L256 WeakPolarHBondContact O-CG 3.23Å; L252-L256 PolarHBondContact O-N 3.34Å; Y253-L256 WeakPolarHBondContact O-CB 3.38Å; Y253-L256 PolarHBondContact O-N 3.4Å; L254-L256 VanDerWaalsContact C-N 3.28Å; L254-L256 PolarHBondContact O-N 2.87Å; L256-W260 WeakPolarHBondContact O-CB 3.46Å; L256-W260 PolarHBondContact O-N 2.99Å |
| 257 | Q | 87 | Confident | 86.6 | Confident | 48 Ų | 48 | 28.2 Ų | 28.2 | 22% | 0.224 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.7 | -44.4 | 177.2 | -72 | -164.5 | -57.7 | 0 | 0 | 112 | I84 Y253 L254 W260 N261 | I84-Q257 HydrophobicContact CG2-CG 4.41Å; Y253-Q257 HydrophobicContact CD2-CG 4.03Å; Y253-Q257 VanDerWaalsContact CE2-CD 3.47Å; Y253-Q257 HydrophobicContact CE2-CG 3.6Å; Y253-Q257 WeakPolarHBondContact O-CG 3.37Å; Y253-Q257 PolarHBondContact O-N 3.1Å; Y253-Q257 VanDerWaalsContact OH-CD 3.32Å; Y253-Q257 PolarHBondContact OH-NE2 2.99Å; Y253-Q257 PolarHBondContact OH-OE1 3.31Å; L254-Q257 PolarHBondContact O-N 3.43Å; Q257-W260 PolarHBondContact O-N 3.35Å; Q257-N261 VanDerWaalsContact O-CB 3.3Å; Q257-N261 WeakPolarHBondContact O-CB 3.48Å; Q257-N261 PolarHBondContact O-N 2.92Å; Q257-N261 PolarHBondContact O-ND2 3.48Å; Q257-N261 VanDerWaalsContact O-ND2 3.1Å |
| 258 | S | 84.9 | Confident | 87.3 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.014 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.6 | -43.5 | -179.9 | -166.2 | 0 | 0 | 0 | 0 | 111.6 | L254 H255 S262 E451 | L254-S258 WeakPolarHBondContact O-CB 3.39Å; L254-S258 PolarHBondContact O-N 3.34Å; H255-S258 PolarHBondContact O-N 3.42Å; S258-S262 WeakPolarHBondContact O-CB 3.49Å; S258-S262 PolarHBondContact O-N 3.14Å; S258-S262 PolarHBondContact O-OG 3.43Å; S258-E451 VanDerWaalsContact CB-OE1 3.3Å; S258-E451 WeakPolarHBondContact CB-OE1 3.24Å; S258-E451 PolarHBondContact OG-OE1 3.1Å |
| 259 | C | 89.1 | Confident | 88.3 | Confident | 6 Ų | 6 | 21.2 Ų | 21.2 | 4% | 0.041 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.8 | -44.8 | 175.2 | -69.2 | 0 | 0 | 0 | 0 | 111.8 | L57 L78 H255 S262 F263 | L57-C259 HydrophobicContact CD1-CB 4.44Å; L57-C259 HydrophobicContact CD2-CB 4.31Å; L78-C259 HydrophobicContact CD1-CB 3.93Å; H255-C259 VanDerWaalsContact O-CB 3.22Å; H255-C259 WeakPolarHBondContact O-CB 3.48Å; H255-C259 PolarHBondContact O-N 3.16Å; H255-C259 PolarHBondContact O-SG 3.49Å; C259-S262 PolarHBondContact O-N 3.39Å; C259-F263 WeakPolarHBondContact O-CB 3.48Å; C259-F263 PolarHBondContact O-N 2.93Å |
| 260 | W | 91 | Very high | 89.1 | Confident | 20 Ų | 20 | 18.4 Ų | 18.4 | 8% | 0.076 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66 | -42.5 | 179 | -177.3 | 47.7 | 0 | 0 | 0 | 112 | L78 V81 R82 I84 L256 Q257 F263 V264 P559 | L78-W260 HydrophobicContact CD2-CB 4.41Å; V81-W260 HydrophobicContact CB-CG 4.47Å; V81-W260 HydrophobicContact CB-CZ2 4.49Å; V81-W260 HydrophobicContact CG1-CD2 3.86Å; V81-W260 HydrophobicContact CG1-CE3 4.45Å; V81-W260 HydrophobicContact CG1-CG 4.16Å; V81-W260 HydrophobicContact CG1-CH2 4.47Å; V81-W260 HydrophobicContact CG1-CZ2 3.88Å; R82-W260 WeakPolarHBondContact O-CH2 3.23Å; I84-W260 HydrophobicContact CB-CE3 4.46Å; I84-W260 HydrophobicContact CD1-CB 3.67Å; I84-W260 HydrophobicContact CD1-CD2 4.02Å; I84-W260 HydrophobicContact CD1-CE3 3.89Å; I84-W260 HydrophobicContact CD1-CG 3.95Å; I84-W260 HydrophobicContact CG1-CD2 4.26Å; I84-W260 HydrophobicContact CG1-CE3 3.89Å; I84-W260 HydrophobicContact CG1-CZ3 4.36Å; L256-W260 WeakPolarHBondContact O-CB 3.46Å; L256-W260 PolarHBondContact O-N 2.99Å; Q257-W260 PolarHBondContact O-N 3.35Å; W260-F263 PolarHBondContact O-N 3Å; W260-V264 WeakPolarHBondContact O-CB 3.41Å; W260-V264 VanDerWaalsContact O-CG2 3.29Å; W260-V264 WeakPolarHBondContact O-CG2 3.33Å; W260-V264 PolarHBondContact O-N 2.91Å; W260-P559 HydrophobicContact CZ2-CG 4.44Å |
| 261 | N | 89.1 | Confident | 89.6 | Confident | 28 Ų | 28 | 21.2 Ų | 21.2 | 15% | 0.15 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.4 | -47 | 174.1 | -75.1 | -32.1 | 0 | 0 | 0 | 111.7 | Q257 F263 V264 I265 | Q257-N261 VanDerWaalsContact O-CB 3.3Å; Q257-N261 WeakPolarHBondContact O-CB 3.48Å; Q257-N261 PolarHBondContact O-N 2.92Å; Q257-N261 PolarHBondContact O-ND2 3.48Å; Q257-N261 VanDerWaalsContact O-ND2 3.1Å; N261-F263 VanDerWaalsContact C-N 3.33Å; N261-F263 PolarHBondContact O-N 2.88Å; N261-V264 PolarHBondContact O-N 3.07Å; N261-I265 WeakPolarHBondContact O-CG1 3.39Å; N261-I265 PolarHBondContact O-N 3.03Å |
| 262 | S | 88.9 | Confident | 90.1 | Very high | 6 Ų | 6 | 22 Ų | 22 | 4% | 0.042 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 177.2 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | S258 C259 I265 K266 | S258-S262 WeakPolarHBondContact O-CB 3.49Å; S258-S262 PolarHBondContact O-N 3.14Å; S258-S262 PolarHBondContact O-OG 3.43Å; C259-S262 PolarHBondContact O-N 3.39Å; S262-I265 PolarHBondContact O-N 3.48Å; S262-K266 WeakPolarHBondContact O-CB 3.32Å; S262-K266 PolarHBondContact O-N 3.15Å |
| 263 | F | 91.4 | Very high | 90.1 | Very high | 25 Ų | 25 | 26.2 Ų | 26.2 | 11% | 0.11 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.2 | -49.1 | 176.1 | 174.4 | -84.7 | 0 | 0 | 0 | 111.2 | L78 E79 C259 W260 N261 I265 K266 S267 | L78-F263 HydrophobicContact CB-CB 4.19Å; L78-F263 HydrophobicContact CB-CD1 4.1Å; L78-F263 HydrophobicContact CB-CD2 4.05Å; L78-F263 HydrophobicContact CB-CG 3.81Å; L78-F263 HydrophobicContact CD1-CB 4.15Å; E79-F263 HydrophobicContact CB-CE1 3.96Å; E79-F263 HydrophobicContact CB-CE2 4.36Å; E79-F263 HydrophobicContact CB-CZ 3.49Å; E79-F263 VanDerWaalsContact CB-CZ 3.49Å; E79-F263 HydrophobicContact CG-CE1 4.42Å; E79-F263 HydrophobicContact CG-CZ 3.98Å; C259-F263 WeakPolarHBondContact O-CB 3.48Å; C259-F263 PolarHBondContact O-N 2.93Å; W260-F263 PolarHBondContact O-N 3Å; N261-F263 VanDerWaalsContact C-N 3.33Å; N261-F263 PolarHBondContact O-N 2.88Å; F263-I265 PolarHBondContact O-N 2.9Å; F263-K266 PolarHBondContact O-N 2.98Å; F263-S267 VanDerWaalsContact CE1-OG 3.3Å; F263-S267 WeakPolarHBondContact CE1-OG 3.26Å; F263-S267 WeakPolarHBondContact CE2-OG 3.42Å; F263-S267 WeakPolarHBondContact CZ-OG 3.48Å; F263-S267 WeakPolarHBondContact O-CB 3.2Å; F263-S267 PolarHBondContact O-N 3.42Å; F263-S267 PolarHBondContact O-OG 3.47Å |
| 264 | V | 92.8 | Very high | 90.1 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.024 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.5 | -46 | -178.9 | 164.1 | 0 | 0 | 0 | 0 | 111 | W260 N261 T268 P555 I556 P559 | W260-V264 WeakPolarHBondContact O-CB 3.41Å; W260-V264 VanDerWaalsContact O-CG2 3.29Å; W260-V264 WeakPolarHBondContact O-CG2 3.33Å; W260-V264 PolarHBondContact O-N 2.91Å; N261-V264 PolarHBondContact O-N 3.07Å; V264-T268 WeakPolarHBondContact O-CB 3.24Å; V264-T268 PolarHBondContact O-N 3.28Å; V264-T268 PolarHBondContact O-OG1 2.97Å; V264-T268 VanDerWaalsContact O-OG1 3.14Å; V264-P555 HydrophobicContact CG1-CB 4.25Å; V264-P555 HydrophobicContact CG2-CB 4.32Å; V264-I556 HydrophobicContact CG1-CB 3.58Å; V264-I556 HydrophobicContact CG1-CD1 4.25Å; V264-I556 HydrophobicContact CG1-CG1 3.63Å; V264-P559 HydrophobicContact CG1-CG 4.39Å |
| 265 | I | 92.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.4 | -53.5 | 176.8 | -69.7 | 167.6 | 0 | 0 | 0 | 110.6 | N261 S262 F263 S267 T268 L269 R381 V506 F509 I556 | N261-I265 WeakPolarHBondContact O-CG1 3.39Å; N261-I265 PolarHBondContact O-N 3.03Å; S262-I265 PolarHBondContact O-N 3.48Å; F263-I265 PolarHBondContact O-N 2.9Å; I265-S267 PolarHBondContact O-N 3.46Å; I265-T268 PolarHBondContact O-N 3.29Å; I265-L269 HydrophobicContact CG2-CD1 3.81Å; I265-L269 HydrophobicContact CG2-CG 4.46Å; I265-L269 WeakPolarHBondContact O-CG 3.08Å; I265-L269 PolarHBondContact O-N 3.09Å; I265-R381 VanDerWaalsContact CG2-NH1 3.33Å; I265-V506 HydrophobicContact CG1-CG1 4.47Å; I265-V506 HydrophobicContact CG2-CG1 3.73Å; I265-V506 HydrophobicContact CG2-CG2 4.19Å; I265-F509 HydrophobicContact CD1-CD1 4.38Å; I265-F509 HydrophobicContact CD1-CE1 4.08Å; I265-F509 HydrophobicContact CG1-CD1 4.25Å; I265-F509 HydrophobicContact CG1-CE1 4.14Å; I265-I556 HydrophobicContact CG1-CD1 4.13Å |
| 266 | K | 91.1 | Very high | 90.4 | Very high | 62 Ų | 62 | 34.5 Ų | 34.5 | 27% | 0.27 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.1 | -44.5 | -177.5 | -178 | 179 | -179 | 177.6 | 0 | 111.6 | S262 F263 L269 L270 E382 | S262-K266 WeakPolarHBondContact O-CB 3.32Å; S262-K266 PolarHBondContact O-N 3.15Å; F263-K266 PolarHBondContact O-N 2.98Å; K266-L269 PolarHBondContact O-N 2.83Å; K266-L270 HydrophobicContact CG-CD1 4.06Å; K266-L270 HydrophobicContact CG-CG 4.42Å; K266-L270 WeakPolarHBondContact O-CB 3.47Å; K266-L270 VanDerWaalsContact O-CG 3.25Å; K266-L270 WeakPolarHBondContact O-CG 3.32Å; K266-L270 PolarHBondContact O-N 3.47Å; K266-E382 IonicContact NZ-OE1 3.96Å |
| 267 | S | 92.3 | Very high | 90.1 | Very high | 25 Ų | 25 | 42 Ų | 42 | 18% | 0.175 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.3 | -37.7 | -178.7 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | F263 I265 | F263-S267 VanDerWaalsContact CE1-OG 3.3Å; F263-S267 WeakPolarHBondContact CE1-OG 3.26Å; F263-S267 WeakPolarHBondContact CE2-OG 3.42Å; F263-S267 WeakPolarHBondContact CZ-OG 3.48Å; F263-S267 WeakPolarHBondContact O-CB 3.2Å; F263-S267 PolarHBondContact O-N 3.42Å; F263-S267 PolarHBondContact O-OG 3.47Å; I265-S267 PolarHBondContact O-N 3.46Å |
| 268 | T | 95.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.7 | -52.3 | 169.1 | -66.2 | 0 | 0 | 0 | 0 | 110.5 | V264 I265 L270 L271 P502 V506 Y554 P555 I556 | V264-T268 WeakPolarHBondContact O-CB 3.24Å; V264-T268 PolarHBondContact O-N 3.28Å; V264-T268 PolarHBondContact O-OG1 2.97Å; V264-T268 VanDerWaalsContact O-OG1 3.14Å; I265-T268 PolarHBondContact O-N 3.29Å; T268-L270 VanDerWaalsContact C-N 3.25Å; T268-L270 PolarHBondContact O-N 3.41Å; T268-L271 VanDerWaalsContact O-CB 3.25Å; T268-L271 WeakPolarHBondContact O-CB 3.46Å; T268-L271 PolarHBondContact O-N 2.9Å; T268-P502 HydrophobicContact CG2-CB 4.02Å; T268-P502 WeakPolarHBondContact O-CB 3.38Å; T268-V506 HydrophobicContact CG2-CG2 3.92Å; T268-Y554 HydrophobicContact CG2-CD2 4.5Å; T268-Y554 HydrophobicContact CG2-CG 4.28Å; T268-P555 WeakPolarHBondContact OG1-CD 3.27Å; T268-I556 HydrophobicContact CG2-CG2 3.9Å; T268-I556 WeakPolarHBondContact OG1-CB 3.39Å; T268-I556 WeakPolarHBondContact OG1-CG2 3.43Å; T268-I556 PolarHBondContact OG1-N 3.23Å |
| 269 | L | 93.5 | Very high | 89.7 | Confident | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59 | -35.5 | -178.7 | -67.9 | 169.2 | 0 | 0 | 0 | 112.7 | I265 K266 L271 D272 Y275 A503 V506 | I265-L269 HydrophobicContact CG2-CD1 3.81Å; I265-L269 HydrophobicContact CG2-CG 4.46Å; I265-L269 WeakPolarHBondContact O-CG 3.08Å; I265-L269 PolarHBondContact O-N 3.09Å; K266-L269 PolarHBondContact O-N 2.83Å; L269-L271 PolarHBondContact O-N 3.34Å; L269-L271 VanDerWaalsContact O-N 3.13Å; L269-D272 WeakPolarHBondContact O-CB 3.13Å; L269-D272 PolarHBondContact O-N 3.47Å; L269-Y275 VanDerWaalsContact C-CD1 3.48Å; L269-Y275 HydrophobicContact CB-CD1 3.48Å; L269-Y275 VanDerWaalsContact CB-CD1 3.48Å; L269-Y275 HydrophobicContact CB-CD2 4.1Å; L269-Y275 HydrophobicContact CB-CE1 3.42Å; L269-Y275 VanDerWaalsContact CB-CE1 3.42Å; L269-Y275 HydrophobicContact CB-CE2 4.05Å; L269-Y275 HydrophobicContact CB-CG 3.82Å; L269-Y275 HydrophobicContact CD1-CD2 4.49Å; L269-Y275 HydrophobicContact CD1-CE1 4.25Å; L269-Y275 HydrophobicContact CD1-CE2 3.82Å; L269-Y275 HydrophobicContact CD2-CD2 4.44Å; L269-Y275 HydrophobicContact CG-CE1 4.43Å; L269-Y275 HydrophobicContact CG-CE2 4.34Å; L269-Y275 WeakPolarHBondContact O-CB 3.38Å; L269-Y275 WeakPolarHBondContact O-CD1 3.36Å; L269-A503 HydrophobicContact CD2-CB 4.47Å; L269-V506 HydrophobicContact CD2-CB 4.19Å; L269-V506 HydrophobicContact CD2-CG2 3.84Å; L269-V506 HydrophobicContact CG-CG2 3.84Å |
| 270 | L | 92.6 | Very high | 89.1 | Confident | 53 Ų | 53 | 48.9 Ų | 48.9 | 28% | 0.277 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -10.6 | 176 | -74.2 | 172.5 | 0 | 0 | 0 | 114.1 | K266 T268 D272 Y275 R276 | K266-L270 HydrophobicContact CG-CD1 4.06Å; K266-L270 HydrophobicContact CG-CG 4.42Å; K266-L270 WeakPolarHBondContact O-CB 3.47Å; K266-L270 VanDerWaalsContact O-CG 3.25Å; K266-L270 WeakPolarHBondContact O-CG 3.32Å; K266-L270 PolarHBondContact O-N 3.47Å; T268-L270 VanDerWaalsContact C-N 3.25Å; T268-L270 PolarHBondContact O-N 3.41Å; L270-D272 VanDerWaalsContact C-N 3.3Å; L270-Y275 HydrophobicContact CD2-CD1 4.34Å; L270-Y275 HydrophobicContact CD2-CE1 4.4Å; L270-R276 HydrophobicContact CD2-CG 4.43Å; L270-R276 VanDerWaalsContact O-CZ 3.23Å; L270-R276 PolarHBondContact O-NE 3.19Å; L270-R276 PolarHBondContact O-NH2 3.47Å |
| 271 | L | 93 | Very high | 88 | Confident | 64 Ų | 64 | 52.6 Ų | 52.6 | 34% | 0.335 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -18.7 | 171.2 | -60.7 | 173.8 | 0 | 0 | 0 | 112.5 | T268 L269 P273 P502 Y554 | T268-L271 VanDerWaalsContact O-CB 3.25Å; T268-L271 WeakPolarHBondContact O-CB 3.46Å; T268-L271 PolarHBondContact O-N 2.9Å; L269-L271 PolarHBondContact O-N 3.34Å; L269-L271 VanDerWaalsContact O-N 3.13Å; L271-P273 WeakPolarHBondContact O-CD 3.47Å; L271-P502 HydrophobicContact CB-CG 4.12Å; L271-Y554 HydrophobicContact CB-CE1 4.43Å; L271-Y554 HydrophobicContact CD1-CD1 3.33Å; L271-Y554 HydrophobicContact CD1-CE1 3.75Å; L271-Y554 HydrophobicContact CD1-CG 4.41Å |
| 272 | D | 92.2 | Very high | 86.8 | Confident | 39 Ų | 39 | 54.9 Ų | 54.9 | 21% | 0.209 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -79.5 | 120.4 | 170.6 | 177.2 | -5.8 | 0 | 0 | 0 | 109.6 | L269 L270 V274 Y275 R276 P502 | L269-D272 WeakPolarHBondContact O-CB 3.13Å; L269-D272 PolarHBondContact O-N 3.47Å; L270-D272 VanDerWaalsContact C-N 3.3Å; D272-V274 VanDerWaalsContact C-N 3.25Å; D272-V274 PolarHBondContact O-N 3.12Å; D272-V274 WeakPolarHBondContact OD1-CB 3.34Å; D272-V274 PolarHBondContact OD1-N 2.81Å; D272-Y275 PolarHBondContact O-N 2.83Å; D272-R276 VanDerWaalsContact O-CB 3.29Å; D272-R276 WeakPolarHBondContact O-CB 3.47Å; D272-R276 PolarHBondContact O-N 2.65Å; D272-P502 HydrophobicContact CB-CB 4.05Å; D272-P502 HydrophobicContact CB-CG 3.9Å |
| 273 | P | 88.8 | Confident | 85.1 | Confident | 90 Ų | 90 | 60 Ų | 60 | 58% | 0.584 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -55.4 | -36.8 | 177.7 | -24.5 | 34.1 | 0 | 0 | 0 | 114 | L271 R277 | L271-P273 WeakPolarHBondContact O-CD 3.47Å; P273-R277 WeakPolarHBondContact O-CB 3.44Å; P273-R277 PolarHBondContact O-N 2.92Å |
| 274 | V | 87.4 | Confident | 83.4 | Confident | 77 Ų | 77 | 64.8 Ų | 64.8 | 47% | 0.467 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70.2 | -48.4 | -178.4 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | D272 R276 R277 R278 | D272-V274 VanDerWaalsContact C-N 3.25Å; D272-V274 PolarHBondContact O-N 3.12Å; D272-V274 WeakPolarHBondContact OD1-CB 3.34Å; D272-V274 PolarHBondContact OD1-N 2.81Å; V274-R276 VanDerWaalsContact C-N 3.33Å; V274-R276 PolarHBondContact O-N 2.91Å; V274-R277 PolarHBondContact O-N 3.29Å; V274-R278 WeakPolarHBondContact O-CG 3.5Å; V274-R278 PolarHBondContact O-N 3.31Å; V274-R278 VanDerWaalsContact O-N 3.11Å |
| 275 | Y | 86.4 | Confident | 82 | Confident | 40 Ų | 40 | 70.2 Ų | 70.2 | 16% | 0.157 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 176.2 | -173.5 | -86.9 | 0 | 0 | 0 | 111.9 | L269 L270 D272 R278 S279 H324 | L269-Y275 VanDerWaalsContact C-CD1 3.48Å; L269-Y275 HydrophobicContact CB-CD1 3.48Å; L269-Y275 VanDerWaalsContact CB-CD1 3.48Å; L269-Y275 HydrophobicContact CB-CD2 4.1Å; L269-Y275 HydrophobicContact CB-CE1 3.42Å; L269-Y275 VanDerWaalsContact CB-CE1 3.42Å; L269-Y275 HydrophobicContact CB-CE2 4.05Å; L269-Y275 HydrophobicContact CB-CG 3.82Å; L269-Y275 HydrophobicContact CD1-CD2 4.49Å; L269-Y275 HydrophobicContact CD1-CE1 4.25Å; L269-Y275 HydrophobicContact CD1-CE2 3.82Å; L269-Y275 HydrophobicContact CD2-CD2 4.44Å; L269-Y275 HydrophobicContact CG-CE1 4.43Å; L269-Y275 HydrophobicContact CG-CE2 4.34Å; L269-Y275 WeakPolarHBondContact O-CB 3.38Å; L269-Y275 WeakPolarHBondContact O-CD1 3.36Å; L270-Y275 HydrophobicContact CD2-CD1 4.34Å; L270-Y275 HydrophobicContact CD2-CE1 4.4Å; D272-Y275 PolarHBondContact O-N 2.83Å; Y275-R278 PolarHBondContact O-N 3.34Å; Y275-S279 WeakPolarHBondContact CD1-OG 3.43Å; Y275-S279 WeakPolarHBondContact CE1-OG 3.38Å; Y275-S279 VanDerWaalsContact CZ-OG 3.3Å; Y275-S279 WeakPolarHBondContact O-CB 3.18Å; Y275-S279 PolarHBondContact O-N 3.49Å; Y275-S279 PolarHBondContact O-OG 3.25Å; Y275-H324 AromaticContact CE2-CE1 3.66Å; Y275-H324 AromaticContact CE2-ND1 3.93Å; Y275-H324 AromaticContact CZ-ND1 3.93Å; Y275-H324 PolarHBondContact OH-ND1 3.04Å |
| 276 | R | 87.8 | Confident | 81.1 | Confident | 116 Ų | 116 | 74.4 Ų | 74.4 | 44% | 0.438 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58 | -52 | 176 | -173.6 | -174.4 | -60.8 | 155.7 | 3 | 110.7 | L270 D272 V274 R278 S279 T280 | L270-R276 HydrophobicContact CD2-CG 4.43Å; L270-R276 VanDerWaalsContact O-CZ 3.23Å; L270-R276 PolarHBondContact O-NE 3.19Å; L270-R276 PolarHBondContact O-NH2 3.47Å; D272-R276 VanDerWaalsContact O-CB 3.29Å; D272-R276 WeakPolarHBondContact O-CB 3.47Å; D272-R276 PolarHBondContact O-N 2.65Å; V274-R276 VanDerWaalsContact C-N 3.33Å; V274-R276 PolarHBondContact O-N 2.91Å; R276-R278 VanDerWaalsContact C-N 3.25Å; R276-R278 PolarHBondContact O-N 3.49Å; R276-S279 PolarHBondContact O-N 2.87Å; R276-S279 VanDerWaalsContact O-N 3.12Å; R276-T280 HydrophobicContact CG-CG2 3.93Å; R276-T280 WeakPolarHBondContact O-CB 3.42Å; R276-T280 VanDerWaalsContact O-CG2 3.32Å; R276-T280 WeakPolarHBondContact O-CG2 3.39Å; R276-T280 PolarHBondContact O-N 3.47Å; R276-T280 PolarHBondContact O-OG1 2.88Å |
| 277 | R | 85.6 | Confident | 80.7 | Confident | 159 Ų | 159 | 74.5 Ų | 74.5 | 60% | 0.6 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -57.7 | -37.2 | 178.3 | -168.7 | -170.6 | -69.5 | -178.3 | 3.1 | 112.1 | D178 E180 P273 V274 T280 | D178-R277 IonicContact OD2-NH1 3.69Å; D178-R277 PolarHBondContact OD2-NH1 3.2Å; E180-R277 IonicContact OE2-NH1 3.96Å; P273-R277 WeakPolarHBondContact O-CB 3.44Å; P273-R277 PolarHBondContact O-N 2.92Å; V274-R277 PolarHBondContact O-N 3.29Å; R277-T280 PolarHBondContact O-OG1 3.18Å |
| 278 | R | 82.5 | Confident | 80.2 | Confident | 120 Ų | 120 | 75.4 Ų | 75.4 | 45% | 0.453 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -72 | -37.5 | 177.2 | -69.6 | 177.6 | -172.7 | 175.8 | 3.1 | 112.9 | V274 Y275 R276 R325 | V274-R278 WeakPolarHBondContact O-CG 3.5Å; V274-R278 PolarHBondContact O-N 3.31Å; V274-R278 VanDerWaalsContact O-N 3.11Å; Y275-R278 PolarHBondContact O-N 3.34Å; R276-R278 VanDerWaalsContact C-N 3.25Å; R276-R278 PolarHBondContact O-N 3.49Å; R278-R325 VanDerWaalsContact O-CG 3.24Å; R278-R325 WeakPolarHBondContact O-CG 3.46Å; R278-R325 PolarHBondContact O-NE 2.98Å |
| 279 | S | 80.1 | Confident | 79.7 | Confident | 14 Ų | 14 | 82.4 Ų | 82.4 | 10% | 0.098 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -93.6 | -20.5 | -171.5 | -55.5 | 0 | 0 | 0 | 0 | 114.6 | Y275 R276 | Y275-S279 WeakPolarHBondContact CD1-OG 3.43Å; Y275-S279 WeakPolarHBondContact CE1-OG 3.38Å; Y275-S279 VanDerWaalsContact CZ-OG 3.3Å; Y275-S279 WeakPolarHBondContact O-CB 3.18Å; Y275-S279 PolarHBondContact O-N 3.49Å; Y275-S279 PolarHBondContact O-OG 3.25Å; R276-S279 PolarHBondContact O-N 2.87Å; R276-S279 VanDerWaalsContact O-N 3.12Å |
| 280 | T | 76.9 | Confident | 79.5 | Confident | 67 Ų | 67 | 88 Ų | 88 | 41% | 0.411 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -67.5 | 124.7 | 177.4 | 44.1 | 0 | 0 | 0 | 0 | 110.1 | R276 R277 | R276-T280 HydrophobicContact CG-CG2 3.93Å; R276-T280 WeakPolarHBondContact O-CB 3.42Å; R276-T280 VanDerWaalsContact O-CG2 3.32Å; R276-T280 WeakPolarHBondContact O-CG2 3.39Å; R276-T280 PolarHBondContact O-N 3.47Å; R276-T280 PolarHBondContact O-OG1 2.88Å; R277-T280 PolarHBondContact O-OG1 3.18Å |
| 281 | P | 68.2 | Low | 79.4 | Confident | 97 Ų | 97 | 85.9 Ų | 85.9 | 63% | 0.63 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 145 | 172.5 | 26 | -31.7 | 0 | 0 | 0 | 109.6 | ||
| 282 | S | 63.2 | Low | 79.3 | Confident | 76 Ų | 76 | 84.5 Ų | 84.5 | 53% | 0.531 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 150.8 | 170.8 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | D284 | S282-D284 PolarHBondContact O-N 2.94Å; S282-D284 VanDerWaalsContact O-N 3.12Å |
| 283 | S | 53.3 | Low | 79.3 | Confident | 115 Ų | 115 | 88.8 Ų | 88.8 | 80% | 0.804 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -56.6 | -24.5 | 173.4 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | S285 | S283-S285 PolarHBondContact O-N 3.33Š|
| 284 | D | 56.8 | Low | 79.6 | Confident | 125 Ų | 125 | 87.3 Ų | 87.3 | 67% | 0.668 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -82.9 | 101.7 | 175.1 | -61.3 | -17.8 | 0 | 0 | 0 | 109.7 | S282 I286 | S282-D284 PolarHBondContact O-N 2.94Å; S282-D284 VanDerWaalsContact O-N 3.12Å; D284-I286 PolarHBondContact O-N 3.03Å |
| 285 | S | 61.5 | Low | 79.9 | Confident | 118 Ų | 118 | 84.2 Ų | 84.2 | 83% | 0.825 | 45% | 0.447 | S | S | * | . | trans | -67.1 | 102.1 | 177.3 | 62.1 | 0 | 0 | 0 | 0 | 110.5 | S283 S287 | S283-S285 PolarHBondContact O-N 3.33Å; S285-S287 PolarHBondContact O-N 3.44Å | ||
| 286 | I | 75 | Confident | 80.3 | Confident | 90 Ų | 90 | 85.1 Ų | 85.1 | 46% | 0.462 | 46% | 0.462 | S | S | . | . | trans | -65 | 130.1 | 172.3 | -58.4 | 176 | 0 | 0 | 0 | 108.8 | D284 R290 | D284-I286 PolarHBondContact O-N 3.03Å; I286-R290 HydrophobicContact CG2-CB 3.74Å; I286-R290 HydrophobicContact CG2-CG 3.73Å | ||
| 287 | S | 81.9 | Confident | 80.6 | Confident | 65 Ų | 65 | 83.1 Ų | 83.1 | 46% | 0.455 | 46% | 0.458 | S | S | . | . | trans | -63.9 | 154 | 178.2 | 75.7 | 0 | 0 | 0 | 0 | 111.8 | S285 E289 R290 T291 | S285-S287 PolarHBondContact O-N 3.44Å; S287-E289 PolarHBondContact O-N 3.2Å; S287-R290 PolarHBondContact O-N 3.01Å; S287-R290 WeakPolarHBondContact OG-CB 3.44Å; S287-R290 PolarHBondContact OG-N 3.16Å; S287-R290 VanDerWaalsContact OG-N 3.1Å; S287-T291 PolarHBondContact O-N 3Å; S287-T291 PolarHBondContact O-OG1 3.35Å | ||
| 288 | A | 81.5 | Confident | 81.1 | Confident | 43 Ų | 43 | 76.1 Ų | 76.1 | 36% | 0.355 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.4 | -37.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | T291 A292 | A288-T291 WeakPolarHBondContact O-CB 3.44Å; A288-T291 PolarHBondContact O-N 3.47Å; A288-A292 PolarHBondContact O-N 3.45Å |
| 289 | E | 86.3 | Confident | 81.6 | Confident | 148 Ų | 148 | 71 Ų | 71 | 69% | 0.692 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.1 | -44.5 | 175.6 | -69.4 | 167.8 | -165.2 | 0 | 0 | 111.4 | S287 T291 A292 H293 | S287-E289 PolarHBondContact O-N 3.2Å; E289-T291 VanDerWaalsContact C-N 3.31Å; E289-T291 PolarHBondContact O-N 3.21Å; E289-A292 PolarHBondContact O-N 2.94Å; E289-H293 PolarHBondContact O-N 3.35Å; E289-H293 PolarHBondContact O-ND1 3.47Å |
| 290 | R | 88.5 | Confident | 82.3 | Confident | 132 Ų | 132 | 73.7 Ų | 73.7 | 50% | 0.498 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 176.8 | -175.7 | 60.1 | 175.8 | 179 | 2.8 | 111.3 | I286 S287 A292 H293 L294 | I286-R290 HydrophobicContact CG2-CB 3.74Å; I286-R290 HydrophobicContact CG2-CG 3.73Å; S287-R290 PolarHBondContact O-N 3.01Å; S287-R290 WeakPolarHBondContact OG-CB 3.44Å; S287-R290 PolarHBondContact OG-N 3.16Å; S287-R290 VanDerWaalsContact OG-N 3.1Å; R290-A292 VanDerWaalsContact C-N 3.3Å; R290-A292 PolarHBondContact O-N 3.23Å; R290-H293 PolarHBondContact O-N 3.34Å; R290-L294 HydrophobicContact CG-CD1 4.12Å; R290-L294 HydrophobicContact CG-CG 4.45Å; R290-L294 VanDerWaalsContact O-CG 3.3Å; R290-L294 WeakPolarHBondContact O-CG 3.24Å; R290-L294 PolarHBondContact O-N 3.4Å |
| 291 | T | 89.9 | Confident | 83.2 | Confident | 8 Ų | 8 | 72.1 Ų | 72.1 | 5% | 0.049 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -58.4 | -43.4 | 173 | -56 | 0 | 0 | 0 | 0 | 111.1 | S287 A288 E289 L294 F295 N326 L329 L332 | S287-T291 PolarHBondContact O-N 3Å; S287-T291 PolarHBondContact O-OG1 3.35Å; A288-T291 WeakPolarHBondContact O-CB 3.44Å; A288-T291 PolarHBondContact O-N 3.47Å; E289-T291 VanDerWaalsContact C-N 3.31Å; E289-T291 PolarHBondContact O-N 3.21Å; T291-L294 PolarHBondContact O-N 3.45Å; T291-F295 WeakPolarHBondContact O-CB 3.36Å; T291-F295 PolarHBondContact O-N 3.08Å; T291-N326 VanDerWaalsContact CG2-ND2 3.3Å; T291-N326 WeakPolarHBondContact CG2-ND2 3.49Å; T291-N326 PolarHBondContact OG1-ND2 3.19Å; T291-L329 HydrophobicContact CG2-CB 4.08Å; T291-L332 HydrophobicContact CG2-CD1 4.38Å |
| 292 | A | 91.2 | Very high | 84.4 | Confident | 36 Ų | 36 | 67.6 Ų | 67.6 | 30% | 0.298 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A288 E289 R290 F295 A296 L332 | A288-A292 PolarHBondContact O-N 3.45Å; E289-A292 PolarHBondContact O-N 2.94Å; R290-A292 VanDerWaalsContact C-N 3.3Å; R290-A292 PolarHBondContact O-N 3.23Å; A292-F295 PolarHBondContact O-N 3.35Å; A292-A296 WeakPolarHBondContact O-CB 3.45Å; A292-A296 PolarHBondContact O-N 2.95Å; A292-L332 HydrophobicContact CB-CD1 3.98Å |
| 293 | H | 93.1 | Very high | 85.8 | Confident | 128 Ų | 128 | 66.5 Ų | 66.5 | 59% | 0.593 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.7 | -46.1 | 176.1 | -71.7 | 97.9 | 0 | 0 | 0 | 112.3 | E289 R290 F295 A296 Q297 | E289-H293 PolarHBondContact O-N 3.35Å; E289-H293 PolarHBondContact O-ND1 3.47Å; R290-H293 PolarHBondContact O-N 3.34Å; H293-F295 VanDerWaalsContact C-N 3.34Å; H293-F295 PolarHBondContact O-N 3.3Å; H293-A296 PolarHBondContact O-N 3.33Å; H293-Q297 WeakPolarHBondContact O-CB 3.46Å; H293-Q297 PolarHBondContact O-N 3.27Å |
| 294 | L | 93.6 | Very high | 87.7 | Confident | 60 Ų | 60 | 67 Ų | 67 | 31% | 0.314 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 178.4 | -69.3 | 173.1 | 0 | 0 | 0 | 111.6 | R290 T291 Q297 L298 | R290-L294 HydrophobicContact CG-CD1 4.12Å; R290-L294 HydrophobicContact CG-CG 4.45Å; R290-L294 VanDerWaalsContact O-CG 3.3Å; R290-L294 WeakPolarHBondContact O-CG 3.24Å; R290-L294 PolarHBondContact O-N 3.4Å; T291-L294 PolarHBondContact O-N 3.45Å; L294-Q297 PolarHBondContact O-N 3.49Å; L294-L298 WeakPolarHBondContact O-CB 3.33Å; L294-L298 PolarHBondContact O-N 3.46Å |
| 295 | F | 94.9 | Very high | 89 | Confident | 12 Ų | 12 | 68.5 Ų | 68.5 | 5% | 0.053 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 175 | 174 | -99.1 | 0 | 0 | 0 | 111.9 | T291 A292 H293 Q297 L298 S299 L319 L329 L332 F333 S336 | T291-F295 WeakPolarHBondContact O-CB 3.36Å; T291-F295 PolarHBondContact O-N 3.08Å; A292-F295 PolarHBondContact O-N 3.35Å; H293-F295 VanDerWaalsContact C-N 3.34Å; H293-F295 PolarHBondContact O-N 3.3Å; F295-Q297 VanDerWaalsContact C-N 3.31Å; F295-Q297 PolarHBondContact O-N 2.89Å; F295-L298 PolarHBondContact O-N 3.42Å; F295-S299 VanDerWaalsContact O-CB 3.29Å; F295-S299 WeakPolarHBondContact O-CB 3.3Å; F295-S299 PolarHBondContact O-N 2.99Å; F295-L319 HydrophobicContact CD2-CD1 4.37Å; F295-L319 HydrophobicContact CE2-CD1 4.19Å; F295-L329 HydrophobicContact CD2-CD2 4.29Å; F295-L329 HydrophobicContact CD2-CG 4Å; F295-L332 HydrophobicContact CB-CD1 4.22Å; F295-L332 HydrophobicContact CD1-CB 3.66Å; F295-L332 HydrophobicContact CD1-CD1 4.43Å; F295-L332 HydrophobicContact CE1-CB 3.95Å; F295-L332 HydrophobicContact CG-CB 4.06Å; F295-L332 HydrophobicContact CG-CD1 4.45Å; F295-F333 HydrophobicContact CE2-CB 4.1Å; F295-F333 HydrophobicContact CZ-CB 4.18Å; F295-S336 WeakPolarHBondContact CZ-OG 3.03Å |
| 296 | A | 94.1 | Very high | 89.8 | Confident | 58 Ų | 58 | 66.8 Ų | 66.8 | 48% | 0.479 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A292 H293 S299 S300 | A292-A296 WeakPolarHBondContact O-CB 3.45Å; A292-A296 PolarHBondContact O-N 2.95Å; H293-A296 PolarHBondContact O-N 3.33Å; A296-S299 PolarHBondContact O-N 3.33Å; A296-S300 WeakPolarHBondContact O-CB 3.4Å; A296-S300 PolarHBondContact O-N 2.98Å; A296-S300 PolarHBondContact O-OG 3.41Å |
| 297 | Q | 94.8 | Very high | 90.3 | Very high | 75 Ų | 75 | 64.5 Ų | 64.5 | 35% | 0.35 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.6 | -53.2 | 174.1 | 179 | 178.1 | -8 | 0 | 0 | 111.4 | H293 L294 F295 S299 S300 E301 | H293-Q297 WeakPolarHBondContact O-CB 3.46Å; H293-Q297 PolarHBondContact O-N 3.27Å; L294-Q297 PolarHBondContact O-N 3.49Å; F295-Q297 VanDerWaalsContact C-N 3.31Å; F295-Q297 PolarHBondContact O-N 2.89Å; Q297-S299 VanDerWaalsContact C-N 3.28Å; Q297-S299 PolarHBondContact O-N 2.9Å; Q297-S300 PolarHBondContact O-N 3.45Å; Q297-S300 VanDerWaalsContact O-N 3.1Å; Q297-S300 PolarHBondContact O-OG 2.89Å; Q297-E301 WeakPolarHBondContact CG-OE1 3.37Å; Q297-E301 PolarHBondContact NE2-OE1 3.48Å; Q297-E301 WeakPolarHBondContact O-CG 3.42Å; Q297-E301 PolarHBondContact O-N 3.28Å |
| 298 | L | 95.1 | Very high | 90.7 | Very high | 11 Ų | 11 | 64.8 Ų | 64.8 | 6% | 0.058 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.8 | -41 | -180 | -175.1 | 67.1 | 0 | 0 | 0 | 111.9 | L294 F295 E301 L302 L315 E318 L319 | L294-L298 WeakPolarHBondContact O-CB 3.33Å; L294-L298 PolarHBondContact O-N 3.46Å; F295-L298 PolarHBondContact O-N 3.42Å; L298-E301 PolarHBondContact O-N 3.49Å; L298-L302 VanDerWaalsContact O-CB 3.32Å; L298-L302 WeakPolarHBondContact O-CB 3.49Å; L298-L302 PolarHBondContact O-N 2.8Å; L298-L315 HydrophobicContact CD1-CB 4.33Å; L298-L315 HydrophobicContact CD1-CD2 3.75Å; L298-E318 HydrophobicContact CD1-CB 4.24Å; L298-E318 HydrophobicContact CD1-CG 4.23Å; L298-E318 HydrophobicContact CD2-CG 4.46Å; L298-L319 HydrophobicContact CD2-CB 3.73Å; L298-L319 HydrophobicContact CD2-CD1 3.8Å; L298-L319 HydrophobicContact CD2-CG 4.37Å |
| 299 | S | 94.7 | Very high | 91 | Very high | 12 Ų | 12 | 66.8 Ų | 66.8 | 8% | 0.084 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 176.3 | -167 | 0 | 0 | 0 | 0 | 111.6 | F295 A296 Q297 E301 L302 L303 | F295-S299 VanDerWaalsContact O-CB 3.29Å; F295-S299 WeakPolarHBondContact O-CB 3.3Å; F295-S299 PolarHBondContact O-N 2.99Å; A296-S299 PolarHBondContact O-N 3.33Å; Q297-S299 VanDerWaalsContact C-N 3.28Å; Q297-S299 PolarHBondContact O-N 2.9Å; S299-E301 VanDerWaalsContact C-N 3.32Å; S299-E301 PolarHBondContact O-N 3.22Å; S299-L302 PolarHBondContact O-N 3.07Å; S299-L303 WeakPolarHBondContact O-CB 3.26Å; S299-L303 WeakPolarHBondContact O-CG 3.35Å; S299-L303 PolarHBondContact O-N 2.89Å |
| 300 | S | 94.1 | Very high | 91.2 | Very high | 71 Ų | 71 | 67 Ų | 67 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.9 | -36.9 | 178.5 | 68.4 | 0 | 0 | 0 | 0 | 112.7 | A296 Q297 Q304 | A296-S300 WeakPolarHBondContact O-CB 3.4Å; A296-S300 PolarHBondContact O-N 2.98Å; A296-S300 PolarHBondContact O-OG 3.41Å; Q297-S300 PolarHBondContact O-N 3.45Å; Q297-S300 VanDerWaalsContact O-N 3.1Å; Q297-S300 PolarHBondContact O-OG 2.89Å; S300-Q304 PolarHBondContact O-N 2.93Å |
| 301 | E | 94.9 | Very high | 91.3 | Very high | 34 Ų | 34 | 64.8 Ų | 64.8 | 16% | 0.159 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -73.4 | -38.3 | 177 | -67.3 | 173.8 | -151.5 | 0 | 0 | 111.3 | R172 Q297 L298 S299 L303 Q304 L315 | R172-E301 IonicContact CZ-OE1 2.78Å; R172-E301 VanDerWaalsContact CZ-OE1 3.3Å; R172-E301 IonicContact CZ-OE2 3.65Å; R172-E301 IonicContact NH1-OE1 2.83Å; R172-E301 IonicContact NH1-OE2 3.93Å; R172-E301 PolarHBondContact NH1-OE2 3.07Å; R172-E301 IonicContact NH2-OE1 3.38Å; R172-E301 PolarHBondContact NH2-OE1 3.27Å; R172-E301 IonicContact NH2-OE2 3.3Å; R172-E301 PolarHBondContact NH2-OE2 3.49Å; Q297-E301 WeakPolarHBondContact CG-OE1 3.37Å; Q297-E301 PolarHBondContact NE2-OE1 3.48Å; Q297-E301 WeakPolarHBondContact O-CG 3.42Å; Q297-E301 PolarHBondContact O-N 3.28Å; L298-E301 PolarHBondContact O-N 3.49Å; S299-E301 VanDerWaalsContact C-N 3.32Å; S299-E301 PolarHBondContact O-N 3.22Å; E301-L303 VanDerWaalsContact C-N 3.3Å; E301-L303 PolarHBondContact O-N 3.29Å; E301-Q304 WeakPolarHBondContact O-CB 3.16Å; E301-Q304 PolarHBondContact O-N 2.78Å; E301-L315 HydrophobicContact CB-CD1 4.01Å; E301-L315 HydrophobicContact CB-CD2 4.05Å; E301-L315 WeakPolarHBondContact OE2-CD2 3.49Å |
| 302 | L | 93.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 65.1 Ų | 65.1 | 2% | 0.016 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 176.4 | -168.3 | 80.7 | 0 | 0 | 0 | 111.9 | L298 S299 Q304 L312 L315 L316 A339 F342 | L298-L302 VanDerWaalsContact O-CB 3.32Å; L298-L302 WeakPolarHBondContact O-CB 3.49Å; L298-L302 PolarHBondContact O-N 2.8Å; S299-L302 PolarHBondContact O-N 3.07Å; L302-Q304 VanDerWaalsContact C-N 3.29Å; L302-L312 HydrophobicContact CD1-CD1 3.62Å; L302-L312 HydrophobicContact CG-CD1 4.41Å; L302-L315 HydrophobicContact CD1-CB 4.02Å; L302-L316 HydrophobicContact CD1-CD2 3.59Å; L302-L316 HydrophobicContact CD1-CG 3.86Å; L302-L316 HydrophobicContact CD2-CD2 4.3Å; L302-A339 HydrophobicContact CD2-CB 4.42Å; L302-F342 HydrophobicContact CD1-CE1 4.22Å; L302-F342 HydrophobicContact CD2-CD1 3.83Å; L302-F342 HydrophobicContact CD2-CE1 4.01Å; L302-F342 HydrophobicContact CG-CD1 4Å; L302-F342 HydrophobicContact CG-CE1 3.69Å; L302-F342 WeakPolarHBondContact O-CZ 3.44Å |
| 303 | L | 93.4 | Very high | 91.6 | Very high | 52 Ų | 52 | 67.2 Ų | 67.2 | 27% | 0.272 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 4 | -177.7 | -62 | 172.3 | 0 | 0 | 0 | 112.9 | S299 E301 E338 F342 | S299-L303 WeakPolarHBondContact O-CB 3.26Å; S299-L303 WeakPolarHBondContact O-CG 3.35Å; S299-L303 PolarHBondContact O-N 2.89Å; E301-L303 VanDerWaalsContact C-N 3.3Å; E301-L303 PolarHBondContact O-N 3.29Å; L303-E338 HydrophobicContact CD1-CB 3.76Å; L303-F342 HydrophobicContact CD2-CB 3.4Å; L303-F342 VanDerWaalsContact CD2-CB 3.4Å; L303-F342 HydrophobicContact CD2-CD1 4.26Å; L303-F342 HydrophobicContact CD2-CD2 3.9Å; L303-F342 HydrophobicContact CD2-CG 3.6Å |
| 304 | Q | 92.3 | Very high | 91.7 | Very high | 125 Ų | 125 | 66 Ų | 66 | 58% | 0.584 | 37% | 0.374 | S | S | * | . | trans | -73.5 | 130.1 | -178.6 | -172.5 | 175.6 | -0.5 | 0 | 0 | 111.2 | S300 E301 L302 T307 | S300-Q304 PolarHBondContact O-N 2.93Å; E301-Q304 WeakPolarHBondContact O-CB 3.16Å; E301-Q304 PolarHBondContact O-N 2.78Å; L302-Q304 VanDerWaalsContact C-N 3.29Å; Q304-T307 PolarHBondContact O-OG1 3.46Å | ||
| 305 | D | 83.5 | Confident | 91.9 | Very high | 158 Ų | 158 | 63.9 Ų | 63.9 | 85% | 0.845 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 139.2 | 174.6 | -68.2 | -32.7 | 0 | 0 | 0 | 111.7 | ||
| 306 | G | 79.4 | Confident | 91.9 | Very high | 81 Ų | 81 | 63.3 Ų | 63.3 | 84% | 0.835 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 13.7 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | T308 | G306-T308 PolarHBondContact O-N 3.02Š|
| 307 | T | 86.3 | Confident | 92 | Very high | 43 Ų | 43 | 63.4 Ų | 63.4 | 26% | 0.264 | 35% | 0.351 | S | S | . | . | trans | -63 | 128.4 | 174 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | Q304 N311 L312 L315 | Q304-T307 PolarHBondContact O-OG1 3.46Å; T307-N311 HydrophobicContact CG2-CB 3.77Å; T307-L312 HydrophobicContact CG2-CB 4.18Å; T307-L315 HydrophobicContact CG2-CD1 4.39Å | ||
| 308 | T | 88.6 | Confident | 92 | Very high | 71 Ų | 71 | 62.6 Ų | 62.6 | 44% | 0.436 | 35% | 0.347 | S | S | . | . | trans | -65.9 | 152.7 | 176 | 64.3 | 0 | 0 | 0 | 0 | 110.8 | G306 E310 N311 L312 | G306-T308 PolarHBondContact O-N 3.02Å; T308-E310 PolarHBondContact O-N 2.91Å; T308-N311 PolarHBondContact O-N 3.35Å; T308-N311 VanDerWaalsContact O-N 3.15Å; T308-N311 WeakPolarHBondContact OG1-CB 3.3Å; T308-N311 VanDerWaalsContact OG1-CG 3.25Å; T308-N311 PolarHBondContact OG1-N 3.19Å; T308-N311 PolarHBondContact OG1-ND2 2.94Å; T308-L312 WeakPolarHBondContact O-CB 3.34Å; T308-L312 PolarHBondContact O-N 2.92Å | ||
| 309 | V | 87.9 | Confident | 92 | Very high | 85 Ų | 85 | 62.3 Ų | 62.3 | 52% | 0.515 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57 | -38.5 | 178.7 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | L312 Y313 L368 | V309-L312 PolarHBondContact O-N 3.47Å; V309-Y313 WeakPolarHBondContact O-CB 3.33Å; V309-Y313 PolarHBondContact O-N 2.95Å; V309-L368 HydrophobicContact CG1-CD2 4.27Å |
| 310 | E | 90.1 | Very high | 92 | Very high | 153 Ų | 153 | 64.4 Ų | 64.4 | 72% | 0.715 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.7 | -47.4 | 176.3 | -64.6 | 177.7 | -179.7 | 0 | 0 | 112.2 | T308 L312 Y313 L314 | T308-E310 PolarHBondContact O-N 2.91Å; E310-L312 VanDerWaalsContact C-N 3.32Å; E310-L312 PolarHBondContact O-N 2.98Å; E310-Y313 WeakPolarHBondContact O-CB 3.47Å; E310-Y313 PolarHBondContact O-N 2.99Å; E310-L314 WeakPolarHBondContact O-CG 3.42Å; E310-L314 PolarHBondContact O-N 2.76Å |
| 311 | N | 92.1 | Very high | 91.8 | Very high | 84 Ų | 84 | 62.9 Ų | 62.9 | 45% | 0.449 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 177.7 | -75.8 | -15.7 | 0 | 0 | 0 | 111 | T307 T308 Y313 L314 L315 | T307-N311 HydrophobicContact CG2-CB 3.77Å; T308-N311 PolarHBondContact O-N 3.35Å; T308-N311 VanDerWaalsContact O-N 3.15Å; T308-N311 WeakPolarHBondContact OG1-CB 3.3Å; T308-N311 VanDerWaalsContact OG1-CG 3.25Å; T308-N311 PolarHBondContact OG1-N 3.19Å; T308-N311 PolarHBondContact OG1-ND2 2.94Å; N311-Y313 VanDerWaalsContact C-N 3.33Å; N311-Y313 PolarHBondContact O-N 3.41Å; N311-L314 PolarHBondContact O-N 3.44Å; N311-L315 WeakPolarHBondContact O-CB 3.48Å; N311-L315 VanDerWaalsContact O-CG 3.24Å; N311-L315 WeakPolarHBondContact O-CG 3.45Å; N311-L315 PolarHBondContact O-N 3.08Å |
| 312 | L | 93.5 | Very high | 91.7 | Very high | 16 Ų | 16 | 62.8 Ų | 62.8 | 8% | 0.084 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 174.7 | 176.5 | 59.9 | 0 | 0 | 0 | 111 | L302 T307 T308 V309 E310 L314 L315 L316 F342 T346 L368 | L302-L312 HydrophobicContact CD1-CD1 3.62Å; L302-L312 HydrophobicContact CG-CD1 4.41Å; T307-L312 HydrophobicContact CG2-CB 4.18Å; T308-L312 WeakPolarHBondContact O-CB 3.34Å; T308-L312 PolarHBondContact O-N 2.92Å; V309-L312 PolarHBondContact O-N 3.47Å; E310-L312 VanDerWaalsContact C-N 3.32Å; E310-L312 PolarHBondContact O-N 2.98Å; L312-L314 PolarHBondContact O-N 2.92Å; L312-L315 PolarHBondContact O-N 2.98Å; L312-L316 HydrophobicContact CD1-CD1 3.96Å; L312-L316 HydrophobicContact CD1-CG 4.06Å; L312-L316 HydrophobicContact CG-CD1 4.01Å; L312-L316 HydrophobicContact CG-CG 4.49Å; L312-L316 WeakPolarHBondContact O-CB 3.5Å; L312-L316 VanDerWaalsContact O-CG 3.23Å; L312-L316 WeakPolarHBondContact O-CG 3.26Å; L312-L316 PolarHBondContact O-N 3.09Å; L312-F342 HydrophobicContact CD1-CE1 3.81Å; L312-F342 HydrophobicContact CD1-CZ 3.91Å; L312-T346 HydrophobicContact CD2-CG2 4.06Å; L312-L368 HydrophobicContact CD2-CD1 4.2Å; L312-L368 HydrophobicContact CD2-CD2 3.95Å; L312-L368 HydrophobicContact CG-CD1 4.16Å |
| 313 | Y | 94.1 | Very high | 91.6 | Very high | 80 Ų | 80 | 62.6 Ų | 62.6 | 31% | 0.314 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 176.5 | -175.9 | -88.4 | 0 | 0 | 0 | 111.8 | V309 E310 N311 L316 Q317 L367 L371 | V309-Y313 WeakPolarHBondContact O-CB 3.33Å; V309-Y313 PolarHBondContact O-N 2.95Å; E310-Y313 WeakPolarHBondContact O-CB 3.47Å; E310-Y313 PolarHBondContact O-N 2.99Å; N311-Y313 VanDerWaalsContact C-N 3.33Å; N311-Y313 PolarHBondContact O-N 3.41Å; Y313-L316 PolarHBondContact O-N 3.13Å; Y313-Q317 WeakPolarHBondContact O-CB 3.48Å; Y313-Q317 PolarHBondContact O-N 3.28Å; Y313-L367 HydrophobicContact CE2-CB 4.3Å; Y313-L371 HydrophobicContact CD1-CD2 4.49Å; Y313-L371 HydrophobicContact CD2-CD2 3.67Å; Y313-L371 HydrophobicContact CE1-CD2 4.5Å; Y313-L371 HydrophobicContact CE2-CB 4.29Å; Y313-L371 HydrophobicContact CE2-CD2 3.68Å; Y313-L371 HydrophobicContact CG-CD2 4.09Å; Y313-L371 WeakPolarHBondContact O-CD2 3.29Å |
| 314 | L | 95.1 | Very high | 91.3 | Very high | 101 Ų | 101 | 62 Ų | 62 | 53% | 0.529 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 178.6 | -67.9 | 174.8 | 0 | 0 | 0 | 112.5 | E310 N311 L312 L316 Q317 E318 | E310-L314 WeakPolarHBondContact O-CG 3.42Å; E310-L314 PolarHBondContact O-N 2.76Å; N311-L314 PolarHBondContact O-N 3.44Å; L312-L314 PolarHBondContact O-N 2.92Å; L314-L316 VanDerWaalsContact C-N 3.35Å; L314-L316 PolarHBondContact O-N 3.04Å; L314-Q317 PolarHBondContact O-N 3.22Å; L314-E318 PolarHBondContact O-N 3.37Å |
| 315 | L | 96.4 | Very high | 90.9 | Very high | 16 Ų | 16 | 60.5 Ų | 60.5 | 8% | 0.084 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 177.8 | -68.9 | 168.7 | 0 | 0 | 0 | 111.5 | L298 E301 L302 T307 N311 L312 E318 L319 | L298-L315 HydrophobicContact CD1-CB 4.33Å; L298-L315 HydrophobicContact CD1-CD2 3.75Å; E301-L315 HydrophobicContact CB-CD1 4.01Å; E301-L315 HydrophobicContact CB-CD2 4.05Å; E301-L315 WeakPolarHBondContact OE2-CD2 3.49Å; L302-L315 HydrophobicContact CD1-CB 4.02Å; T307-L315 HydrophobicContact CG2-CD1 4.39Å; N311-L315 WeakPolarHBondContact O-CB 3.48Å; N311-L315 VanDerWaalsContact O-CG 3.24Å; N311-L315 WeakPolarHBondContact O-CG 3.45Å; N311-L315 PolarHBondContact O-N 3.08Å; L312-L315 PolarHBondContact O-N 2.98Å; L315-E318 PolarHBondContact O-N 3.31Å; L315-L319 WeakPolarHBondContact O-CB 3.37Å; L315-L319 PolarHBondContact O-N 3.21Å |
| 316 | L | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.2 | -38.2 | 174.7 | -72.7 | 175.5 | 0 | 0 | 0 | 112.3 | L302 L312 Y313 L314 E318 L319 R320 L343 L368 L371 I372 | L302-L316 HydrophobicContact CD1-CD2 3.59Å; L302-L316 HydrophobicContact CD1-CG 3.86Å; L302-L316 HydrophobicContact CD2-CD2 4.3Å; L312-L316 HydrophobicContact CD1-CD1 3.96Å; L312-L316 HydrophobicContact CD1-CG 4.06Å; L312-L316 HydrophobicContact CG-CD1 4.01Å; L312-L316 HydrophobicContact CG-CG 4.49Å; L312-L316 WeakPolarHBondContact O-CB 3.5Å; L312-L316 VanDerWaalsContact O-CG 3.23Å; L312-L316 WeakPolarHBondContact O-CG 3.26Å; L312-L316 PolarHBondContact O-N 3.09Å; Y313-L316 PolarHBondContact O-N 3.13Å; L314-L316 VanDerWaalsContact C-N 3.35Å; L314-L316 PolarHBondContact O-N 3.04Å; L316-E318 VanDerWaalsContact C-N 3.33Å; L316-L319 HydrophobicContact CD2-CD2 4.47Å; L316-L319 PolarHBondContact O-N 2.87Å; L316-R320 VanDerWaalsContact O-CB 3.29Å; L316-R320 WeakPolarHBondContact O-CB 3.36Å; L316-R320 PolarHBondContact O-N 3.23Å; L316-L343 HydrophobicContact CD1-CD2 4.49Å; L316-L343 HydrophobicContact CD2-CD2 3.34Å; L316-L368 HydrophobicContact CD1-CD1 3.52Å; L316-L371 HydrophobicContact CB-CD2 3.61Å; L316-L371 HydrophobicContact CB-CG 4.04Å; L316-I372 HydrophobicContact CD1-CD1 4.47Å; L316-I372 HydrophobicContact CD1-CG1 3.78Å |
| 317 | Q | 95 | Very high | 91.2 | Very high | 60 Ų | 60 | 52.6 Ų | 52.6 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.6 | -39 | 176.1 | -173.3 | 174.8 | 0.6 | 0 | 0 | 111.2 | Y313 L314 T321 L371 | Y313-Q317 WeakPolarHBondContact O-CB 3.48Å; Y313-Q317 PolarHBondContact O-N 3.28Å; L314-Q317 PolarHBondContact O-N 3.22Å; Q317-T321 WeakPolarHBondContact O-CB 3.46Å; Q317-T321 PolarHBondContact O-N 3.18Å; Q317-T321 PolarHBondContact O-OG1 3.43Å; Q317-L371 HydrophobicContact CB-CD2 4.23Å |
| 318 | E | 94.9 | Very high | 91.2 | Very high | 59 Ų | 59 | 52.2 Ų | 52.2 | 28% | 0.276 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.1 | -49.5 | 172 | -173.7 | 174.2 | 174.4 | 0 | 0 | 110.8 | L298 L314 L315 L316 R320 T321 A322 | L298-E318 HydrophobicContact CD1-CB 4.24Å; L298-E318 HydrophobicContact CD1-CG 4.23Å; L298-E318 HydrophobicContact CD2-CG 4.46Å; L314-E318 PolarHBondContact O-N 3.37Å; L315-E318 PolarHBondContact O-N 3.31Å; L316-E318 VanDerWaalsContact C-N 3.33Å; E318-R320 VanDerWaalsContact C-N 3.34Å; E318-R320 PolarHBondContact O-N 2.94Å; E318-T321 PolarHBondContact O-N 2.86Å; E318-A322 WeakPolarHBondContact O-CB 3.29Å; E318-A322 PolarHBondContact O-N 3.4Å |
| 319 | L | 95.6 | Very high | 91.4 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.9 | -48.4 | 177.8 | -179.9 | 63.2 | 0 | 0 | 0 | 111.5 | F295 L298 L315 L316 A322 A323 L329 T375 M379 | F295-L319 HydrophobicContact CD2-CD1 4.37Å; F295-L319 HydrophobicContact CE2-CD1 4.19Å; L298-L319 HydrophobicContact CD2-CB 3.73Å; L298-L319 HydrophobicContact CD2-CD1 3.8Å; L298-L319 HydrophobicContact CD2-CG 4.37Å; L315-L319 WeakPolarHBondContact O-CB 3.37Å; L315-L319 PolarHBondContact O-N 3.21Å; L316-L319 HydrophobicContact CD2-CD2 4.47Å; L316-L319 PolarHBondContact O-N 2.87Å; L319-A322 PolarHBondContact O-N 3.33Å; L319-A323 VanDerWaalsContact O-CB 3.29Å; L319-A323 WeakPolarHBondContact O-CB 3.43Å; L319-A323 PolarHBondContact O-N 2.9Å; L319-L329 HydrophobicContact CD1-CD2 3.96Å; L319-T375 HydrophobicContact CD2-CG2 4.14Å; L319-T375 HydrophobicContact CG-CG2 4.33Å; L319-M379 HydrophobicContact CD1-CE 3.73Å; L319-M379 HydrophobicContact CD2-CE 4.04Å; L319-M379 HydrophobicContact CG-CE 3.69Å |
| 320 | R | 94.5 | Very high | 91.6 | Very high | 57 Ų | 57 | 46 Ų | 46 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -47 | 178.9 | -175.8 | -177.4 | 163.8 | -168.1 | 9 | 111.9 | L316 E318 A322 A323 H324 T375 I378 | L316-R320 VanDerWaalsContact O-CB 3.29Å; L316-R320 WeakPolarHBondContact O-CB 3.36Å; L316-R320 PolarHBondContact O-N 3.23Å; E318-R320 VanDerWaalsContact C-N 3.34Å; E318-R320 PolarHBondContact O-N 2.94Å; R320-A322 VanDerWaalsContact C-N 3.31Å; R320-A322 PolarHBondContact O-N 3.37Å; R320-A323 PolarHBondContact O-N 3.44Å; R320-H324 PolarHBondContact O-CD2 3.09Å; R320-H324 VanDerWaalsContact O-CD2 3.3Å; R320-H324 PolarHBondContact O-N 3.26Å; R320-H324 VanDerWaalsContact O-N 3.08Å; R320-T375 HydrophobicContact CB-CG2 4.43Å; R320-T375 WeakPolarHBondContact CB-OG1 3.16Å; R320-I378 HydrophobicContact CG-CD1 3.54Å |
| 321 | T | 91.3 | Very high | 91.7 | Very high | 39 Ų | 39 | 40.2 Ų | 40.2 | 24% | 0.239 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | -179.5 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | Q317 E318 H324 | Q317-T321 WeakPolarHBondContact O-CB 3.46Å; Q317-T321 PolarHBondContact O-N 3.18Å; Q317-T321 PolarHBondContact O-OG1 3.43Å; E318-T321 PolarHBondContact O-N 2.86Å; T321-H324 PolarHBondContact O-N 3.24Å |
| 322 | A | 91.3 | Very high | 91.7 | Very high | 31 Ų | 31 | 37.7 Ų | 37.7 | 26% | 0.256 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -67.5 | -37.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E318 L319 R320 H324 R325 N326 L329 | E318-A322 WeakPolarHBondContact O-CB 3.29Å; E318-A322 PolarHBondContact O-N 3.4Å; L319-A322 PolarHBondContact O-N 3.33Å; R320-A322 VanDerWaalsContact C-N 3.31Å; R320-A322 PolarHBondContact O-N 3.37Å; A322-H324 VanDerWaalsContact C-N 3.35Å; A322-H324 PolarHBondContact O-N 3.2Å; A322-R325 PolarHBondContact O-N 3.35Å; A322-N326 PolarHBondContact O-N 2.82Å; A322-L329 HydrophobicContact CB-CD1 3.36Å |
| 323 | A | 91.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.2 | -34.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L319 R320 R325 L329 R330 I378 M379 | L319-A323 VanDerWaalsContact O-CB 3.29Å; L319-A323 WeakPolarHBondContact O-CB 3.43Å; L319-A323 PolarHBondContact O-N 2.9Å; R320-A323 PolarHBondContact O-N 3.44Å; A323-R325 VanDerWaalsContact C-N 3.28Å; A323-R325 PolarHBondContact O-N 3.39Å; A323-L329 HydrophobicContact CB-CD2 4.1Å; A323-R330 HydrophobicContact CB-CG 3.94Å; A323-R330 WeakPolarHBondContact O-CD 3.44Å; A323-R330 PolarHBondContact O-NE 3.13Å; A323-I378 HydrophobicContact CB-CG2 3.83Å; A323-M379 HydrophobicContact CB-CE 3.69Å; A323-M379 HydrophobicContact CB-SD 4.02Å |
| 324 | H | 87 | Confident | 91.9 | Very high | 38 Ų | 38 | 33.2 Ų | 33.2 | 18% | 0.176 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.6 | -34.2 | 173.6 | -86.2 | -69.4 | 0 | 0 | 0 | 113.2 | Y275 R320 T321 A322 I378 | Y275-H324 AromaticContact CE2-CE1 3.66Å; Y275-H324 AromaticContact CE2-ND1 3.93Å; Y275-H324 AromaticContact CZ-ND1 3.93Å; Y275-H324 PolarHBondContact OH-ND1 3.04Å; R320-H324 PolarHBondContact O-CD2 3.09Å; R320-H324 VanDerWaalsContact O-CD2 3.3Å; R320-H324 PolarHBondContact O-N 3.26Å; R320-H324 VanDerWaalsContact O-N 3.08Å; T321-H324 PolarHBondContact O-N 3.24Å; A322-H324 VanDerWaalsContact C-N 3.35Å; A322-H324 PolarHBondContact O-N 3.2Å; H324-I378 VanDerWaalsContact CE1-CD1 3.45Å; H324-I378 WeakPolarHBondContact CE1-CD1 3.44Å; H324-I378 WeakPolarHBondContact NE2-CD1 3.38Å |
| 325 | R | 85.3 | Confident | 91.8 | Very high | 95 Ų | 95 | 35.4 Ų | 35.4 | 36% | 0.358 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -92.5 | -28.7 | -173.3 | -65.2 | 175.3 | 176.4 | 175.5 | -5.2 | 113 | A174 R278 A322 A323 | A174-R325 PolarHBondContact O-NH1 3.36Å; R278-R325 VanDerWaalsContact O-CG 3.24Å; R278-R325 WeakPolarHBondContact O-CG 3.46Å; R278-R325 PolarHBondContact O-NE 2.98Å; A322-R325 PolarHBondContact O-N 3.35Å; A323-R325 VanDerWaalsContact C-N 3.28Å; A323-R325 PolarHBondContact O-N 3.39Å |
| 326 | N | 85.4 | Confident | 91.5 | Very high | 40 Ų | 40 | 36.8 Ų | 36.8 | 21% | 0.214 | 18% | 0.177 | C | C | . | . | trans | -131.8 | 108.1 | -165.8 | -165 | -31.1 | 0 | 0 | 0 | 112.7 | T291 A322 T328 L329 R330 | T291-N326 VanDerWaalsContact CG2-ND2 3.3Å; T291-N326 WeakPolarHBondContact CG2-ND2 3.49Å; T291-N326 PolarHBondContact OG1-ND2 3.19Å; A322-N326 PolarHBondContact O-N 2.82Å; N326-T328 VanDerWaalsContact C-N 3.29Å; N326-T328 PolarHBondContact O-N 2.72Å; N326-T328 WeakPolarHBondContact OD1-CA 3.35Å; N326-T328 WeakPolarHBondContact OD1-CB 3.5Å; N326-T328 PolarHBondContact OD1-N 3.19Å; N326-L329 HydrophobicContact CB-CB 4.09Å; N326-L329 WeakPolarHBondContact O-CB 3.29Å; N326-L329 PolarHBondContact O-N 3.21Å; N326-L329 PolarHBondContact OD1-N 3.4Å; N326-R330 PolarHBondContact O-N 3.02Å | ||
| 327 | V | 83.9 | Confident | 91.4 | Very high | 33 Ų | 33 | 37.2 Ų | 37.2 | 20% | 0.2 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.2 | -33.4 | 176.2 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | L329 R330 R331 | V327-L329 VanDerWaalsContact C-N 3.3Å; V327-L329 PolarHBondContact O-N 3.4Å; V327-R330 PolarHBondContact O-N 3.02Å; V327-R331 PolarHBondContact O-N 3.42Å |
| 328 | T | 86.7 | Confident | 91.4 | Very high | 35 Ų | 35 | 40.4 Ų | 40.4 | 22% | 0.215 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.1 | -38.9 | 177.8 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | N326 R331 L332 | N326-T328 VanDerWaalsContact C-N 3.29Å; N326-T328 PolarHBondContact O-N 2.72Å; N326-T328 WeakPolarHBondContact OD1-CA 3.35Å; N326-T328 WeakPolarHBondContact OD1-CB 3.5Å; N326-T328 PolarHBondContact OD1-N 3.19Å; T328-R331 WeakPolarHBondContact O-CB 3.31Å; T328-R331 PolarHBondContact O-N 2.74Å; T328-L332 HydrophobicContact CG2-CD1 4.44Å; T328-L332 WeakPolarHBondContact O-CG 3.3Å; T328-L332 PolarHBondContact O-N 3.11Å |
| 329 | L | 92.3 | Very high | 91.4 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 6% | 0.058 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.2 | -46 | 173.2 | -176.5 | 156.7 | 0 | 0 | 0 | 111.4 | T291 F295 L319 A322 A323 N326 V327 R331 L332 F333 M379 | T291-L329 HydrophobicContact CG2-CB 4.08Å; F295-L329 HydrophobicContact CD2-CD2 4.29Å; F295-L329 HydrophobicContact CD2-CG 4Å; L319-L329 HydrophobicContact CD1-CD2 3.96Å; A322-L329 HydrophobicContact CB-CD1 3.36Å; A323-L329 HydrophobicContact CB-CD2 4.1Å; N326-L329 HydrophobicContact CB-CB 4.09Å; N326-L329 WeakPolarHBondContact O-CB 3.29Å; N326-L329 PolarHBondContact O-N 3.21Å; N326-L329 PolarHBondContact OD1-N 3.4Å; V327-L329 VanDerWaalsContact C-N 3.3Å; V327-L329 PolarHBondContact O-N 3.4Å; L329-R331 VanDerWaalsContact C-N 3.26Å; L329-R331 PolarHBondContact O-N 2.97Å; L329-L332 WeakPolarHBondContact O-CB 3.48Å; L329-L332 PolarHBondContact O-N 3.22Å; L329-L332 VanDerWaalsContact O-N 3.08Å; L329-F333 PolarHBondContact O-N 3.25Å; L329-M379 HydrophobicContact CD2-CE 4.08Å |
| 330 | R | 92.3 | Very high | 91.4 | Very high | 13 Ų | 13 | 37.5 Ų | 37.5 | 5% | 0.049 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.3 | -36 | 176.7 | -62.7 | -172.3 | -78.3 | 169.4 | 3 | 112.1 | A323 N326 V327 F333 W334 I378 M379 R381 E382 T383 | A323-R330 HydrophobicContact CB-CG 3.94Å; A323-R330 WeakPolarHBondContact O-CD 3.44Å; A323-R330 PolarHBondContact O-NE 3.13Å; N326-R330 PolarHBondContact O-N 3.02Å; V327-R330 PolarHBondContact O-N 3.02Å; R330-F333 WeakPolarHBondContact O-CB 3.44Å; R330-F333 PolarHBondContact O-N 2.72Å; R330-W334 PolarHBondContact O-N 3.06Å; R330-I378 VanDerWaalsContact CD-O 3.22Å; R330-I378 WeakPolarHBondContact CD-O 3.29Å; R330-I378 PolarHBondContact NH1-O 2.9Å; R330-I378 VanDerWaalsContact NH1-O 3.13Å; R330-M379 HydrophobicContact CB-SD 4.14Å; R330-M379 HydrophobicContact CG-SD 3.76Å; R330-R381 PolarHBondContact NH1-O 3.48Å; R330-E382 IonicContact CZ-OE2 3.8Å; R330-E382 IonicContact NH1-OE2 3.92Å; R330-E382 IonicContact NH2-OE2 2.75Å; R330-E382 PolarHBondContact NH2-OE2 3.15Å; R330-T383 HydrophobicContact CB-CG2 3.77Å |
| 331 | R | 90.8 | Very high | 91.5 | Very high | 33 Ų | 33 | 37.3 Ų | 37.3 | 13% | 0.125 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.2 | -41.4 | 173.2 | -68.4 | 178.7 | -178.8 | 165.7 | -1.6 | 112.3 | E33 V327 T328 L329 F333 W334 R335 E386 | E33-R331 VanDerWaalsContact O-CZ 3.29Å; E33-R331 PolarHBondContact O-NH1 2.76Å; E33-R331 PolarHBondContact O-NH2 2.97Å; V327-R331 PolarHBondContact O-N 3.42Å; T328-R331 WeakPolarHBondContact O-CB 3.31Å; T328-R331 PolarHBondContact O-N 2.74Å; L329-R331 VanDerWaalsContact C-N 3.26Å; L329-R331 PolarHBondContact O-N 2.97Å; R331-F333 VanDerWaalsContact C-N 3.33Å; R331-W334 PolarHBondContact O-N 2.68Å; R331-R335 WeakPolarHBondContact O-CG 3.37Å; R331-R335 PolarHBondContact O-N 3.22Å; R331-E386 HydrophobicContact CB-CG 4.5Å; R331-E386 WeakPolarHBondContact CD-OE2 3.36Å; R331-E386 WeakPolarHBondContact CG-OE2 3.35Å |
| 332 | L | 93.1 | Very high | 91.8 | Very high | 30 Ų | 30 | 37.8 Ų | 37.8 | 16% | 0.157 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.3 | -37.2 | 176.5 | -69 | 167.1 | 0 | 0 | 0 | 112.5 | T291 A292 F295 T328 L329 W334 R335 S336 | T291-L332 HydrophobicContact CG2-CD1 4.38Å; A292-L332 HydrophobicContact CB-CD1 3.98Å; F295-L332 HydrophobicContact CB-CD1 4.22Å; F295-L332 HydrophobicContact CD1-CB 3.66Å; F295-L332 HydrophobicContact CD1-CD1 4.43Å; F295-L332 HydrophobicContact CE1-CB 3.95Å; F295-L332 HydrophobicContact CG-CB 4.06Å; F295-L332 HydrophobicContact CG-CD1 4.45Å; T328-L332 HydrophobicContact CG2-CD1 4.44Å; T328-L332 WeakPolarHBondContact O-CG 3.3Å; T328-L332 PolarHBondContact O-N 3.11Å; L329-L332 WeakPolarHBondContact O-CB 3.48Å; L329-L332 PolarHBondContact O-N 3.22Å; L329-L332 VanDerWaalsContact O-N 3.08Å; L332-W334 VanDerWaalsContact C-N 3.32Å; L332-W334 PolarHBondContact O-N 3.35Å; L332-R335 PolarHBondContact O-N 3.39Å; L332-S336 PolarHBondContact O-N 3.25Å; L332-S336 PolarHBondContact O-OG 3.21Å; L332-S336 VanDerWaalsContact O-OG 3.06Å |
| 333 | F | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.4 | -47.6 | 171.5 | 172.3 | -92.4 | 0 | 0 | 0 | 111.7 | F295 L329 R330 R331 R335 S336 G337 A339 F340 L343 L376 M379 | F295-F333 HydrophobicContact CE2-CB 4.1Å; F295-F333 HydrophobicContact CZ-CB 4.18Å; L329-F333 PolarHBondContact O-N 3.25Å; R330-F333 WeakPolarHBondContact O-CB 3.44Å; R330-F333 PolarHBondContact O-N 2.72Å; R331-F333 VanDerWaalsContact C-N 3.33Å; F333-R335 PolarHBondContact O-N 3.11Å; F333-S336 PolarHBondContact O-OG 3.32Å; F333-G337 PolarHBondContact O-N 2.91Å; F333-G337 VanDerWaalsContact O-N 3.1Å; F333-A339 HydrophobicContact CD2-CB 3.82Å; F333-A339 HydrophobicContact CE2-CB 3.67Å; F333-F340 HydrophobicContact CE1-CB 3.87Å; F333-F340 HydrophobicContact CE1-CD2 4.13Å; F333-F340 HydrophobicContact CE1-CG 4.37Å; F333-F340 HydrophobicContact CE2-CB 4.38Å; F333-F340 HydrophobicContact CZ-CB 3.58Å; F333-F340 AromaticContact CZ-CD2 3.99Å; F333-F340 HydrophobicContact CZ-CD2 3.99Å; F333-F340 HydrophobicContact CZ-CG 4.26Å; F333-L343 HydrophobicContact CE2-CD1 3.86Å; F333-L343 HydrophobicContact CZ-CD1 3.98Å; F333-L376 HydrophobicContact CZ-CD2 4.26Å; F333-M379 HydrophobicContact CB-CE 4.28Å; F333-M379 HydrophobicContact CB-SD 3.91Å; F333-M379 HydrophobicContact CD1-CB 3.92Å; F333-M379 HydrophobicContact CD1-CG 3.79Å; F333-M379 HydrophobicContact CD1-SD 3.85Å; F333-M379 HydrophobicContact CD2-CE 3.89Å; F333-M379 HydrophobicContact CD2-CG 4.4Å; F333-M379 HydrophobicContact CD2-SD 4.17Å; F333-M379 HydrophobicContact CE1-CB 3.79Å; F333-M379 HydrophobicContact CE1-CG 3.76Å; F333-M379 HydrophobicContact CE1-SD 4.41Å; F333-M379 HydrophobicContact CE2-CE 4.37Å; F333-M379 HydrophobicContact CE2-CG 4.36Å; F333-M379 HydrophobicContact CG-CE 4.01Å; F333-M379 HydrophobicContact CG-CG 4.11Å; F333-M379 HydrophobicContact CG-SD 3.71Å; F333-M379 HydrophobicContact CZ-CB 4.45Å; F333-M379 HydrophobicContact CZ-CG 4.04Å |
| 334 | W | 95.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 1% | 0.011 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.3 | -30.8 | 177.2 | -65.7 | 116.5 | 0 | 0 | 0 | 114.1 | R330 R331 L332 F340 M379 F380 T383 E386 A388 R389 L392 L393 | R330-W334 PolarHBondContact O-N 3.06Å; R331-W334 PolarHBondContact O-N 2.68Å; L332-W334 VanDerWaalsContact C-N 3.32Å; L332-W334 PolarHBondContact O-N 3.35Å; W334-F340 HydrophobicContact CH2-CD2 4.19Å; W334-F340 HydrophobicContact CH2-CE2 4.22Å; W334-F340 HydrophobicContact CZ3-CD1 4.23Å; W334-F340 HydrophobicContact CZ3-CD2 4.04Å; W334-F340 HydrophobicContact CZ3-CE1 4.45Å; W334-F340 HydrophobicContact CZ3-CE2 4.28Å; W334-F340 HydrophobicContact CZ3-CG 4.01Å; W334-F340 HydrophobicContact CZ3-CZ 4.48Å; W334-M379 HydrophobicContact CZ2-CB 4.01Å; W334-M379 PolarHBondContact NE1-O 3.25Å; W334-F380 HydrophobicContact CH2-CD1 4.18Å; W334-F380 HydrophobicContact CH2-CD2 4.27Å; W334-F380 AromaticContact CH2-CE1 3.89Å; W334-F380 HydrophobicContact CH2-CE1 3.89Å; W334-F380 AromaticContact CH2-CE2 3.96Å; W334-F380 HydrophobicContact CH2-CE2 3.96Å; W334-F380 HydrophobicContact CH2-CG 4.35Å; W334-F380 AromaticContact CH2-CZ 3.76Å; W334-F380 HydrophobicContact CH2-CZ 3.76Å; W334-F380 HydrophobicContact CZ2-CD1 4.2Å; W334-F380 HydrophobicContact CZ2-CD2 4.37Å; W334-F380 HydrophobicContact CZ2-CE1 4.37Å; W334-F380 HydrophobicContact CZ2-CG 4.18Å; W334-T383 PolarHBondContact NE1-OG1 3.2Å; W334-T383 VanDerWaalsContact NE1-OG1 3.09Å; W334-E386 HydrophobicContact CB-CG 4.09Å; W334-A388 WeakPolarHBondContact O-CB 3.33Å; W334-R389 HydrophobicContact CB-CB 4Å; W334-R389 HydrophobicContact CD2-CB 3.69Å; W334-R389 HydrophobicContact CD2-CG 3.7Å; W334-R389 HydrophobicContact CE3-CB 3.91Å; W334-R389 HydrophobicContact CE3-CG 3.77Å; W334-R389 HydrophobicContact CG-CB 3.72Å; W334-R389 HydrophobicContact CG-CG 4.23Å; W334-R389 HydrophobicContact CH2-CG 4.24Å; W334-R389 HydrophobicContact CZ2-CG 4.19Å; W334-R389 HydrophobicContact CZ3-CG 4.04Å; W334-L392 HydrophobicContact CE3-CD2 4.32Å; W334-L393 HydrophobicContact CH2-CD2 4.45Å; W334-L393 HydrophobicContact CZ3-CD2 4.12Å; W334-L393 HydrophobicContact CZ3-CG 4.4Å |
| 335 | R | 93.1 | Very high | 92.6 | Very high | 147 Ų | 147 | 38.6 Ų | 38.6 | 56% | 0.555 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -71.5 | -37.3 | 178.7 | -74 | 177.1 | -173.6 | 167.3 | 7.9 | 113.5 | R331 L332 F333 E386 A388 | R331-R335 WeakPolarHBondContact O-CG 3.37Å; R331-R335 PolarHBondContact O-N 3.22Å; L332-R335 PolarHBondContact O-N 3.39Å; F333-R335 PolarHBondContact O-N 3.11Å; R335-E386 WeakPolarHBondContact CG-OE1 3.37Å; R335-E386 IonicContact CZ-OE1 3.97Å; R335-E386 IonicContact CZ-OE2 3.39Å; R335-E386 IonicContact NE-OE1 4Å; R335-E386 PolarHBondContact NE-OE1 3.46Å; R335-E386 IonicContact NE-OE2 2.62Å; R335-E386 IonicContact NH2-OE1 3.39Å; R335-E386 PolarHBondContact NH2-OE1 3.44Å; R335-E386 IonicContact NH2-OE2 2.67Å; R335-E386 PolarHBondContact NH2-OE2 3.41Å; R335-A388 HydrophobicContact CG-CB 4.11Å |
| 336 | S | 91.5 | Very high | 93 | Very high | 45 Ų | 45 | 34.6 Ų | 34.6 | 32% | 0.315 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -74.4 | -44 | 175.4 | 51.6 | 0 | 0 | 0 | 0 | 111 | F295 L332 F333 E338 | F295-S336 WeakPolarHBondContact CZ-OG 3.03Å; L332-S336 PolarHBondContact O-N 3.25Å; L332-S336 PolarHBondContact O-OG 3.21Å; L332-S336 VanDerWaalsContact O-OG 3.06Å; F333-S336 PolarHBondContact O-OG 3.32Å; S336-E338 PolarHBondContact O-N 3.03Å |
| 337 | G | 92.4 | Very high | 93.4 | Very high | 9 Ų | 9 | 32.7 Ų | 32.7 | 9% | 0.093 | 16% | 0.161 | C | C | . | . | trans | 72.2 | -30.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | F333 A339 F340 V341 | F333-G337 PolarHBondContact O-N 2.91Å; F333-G337 VanDerWaalsContact O-N 3.1Å; G337-A339 PolarHBondContact O-N 3.37Å; G337-F340 WeakPolarHBondContact O-CB 3.38Å; G337-F340 PolarHBondContact O-N 2.93Å; G337-F340 VanDerWaalsContact O-N 3.09Å; G337-V341 PolarHBondContact O-N 2.9Å; G337-V341 VanDerWaalsContact O-N 3.12Å | ||
| 338 | E | 94.9 | Very high | 93.8 | Very high | 127 Ų | 127 | 32.7 Ų | 32.7 | 59% | 0.593 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -57.8 | -46.2 | -179.8 | -64.1 | -178.4 | 157.8 | 0 | 0 | 112.3 | L303 S336 F340 V341 F342 | L303-E338 HydrophobicContact CD1-CB 3.76Å; S336-E338 PolarHBondContact O-N 3.03Å; E338-F340 VanDerWaalsContact C-N 3.27Å; E338-F340 PolarHBondContact O-N 3.28Å; E338-V341 PolarHBondContact O-N 3.1Å; E338-F342 WeakPolarHBondContact O-CB 3.44Å; E338-F342 PolarHBondContact O-N 3.14Å |
| 339 | A | 94.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.6 | -37.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | L302 F333 G337 L343 | L302-A339 HydrophobicContact CD2-CB 4.42Å; F333-A339 HydrophobicContact CD2-CB 3.82Å; F333-A339 HydrophobicContact CE2-CB 3.67Å; G337-A339 PolarHBondContact O-N 3.37Å; A339-L343 WeakPolarHBondContact O-CB 3.4Å; A339-L343 WeakPolarHBondContact O-CG 3.41Å; A339-L343 PolarHBondContact O-N 3.48Å |
| 340 | F | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.7 | -45.2 | 176.4 | 179 | -115.1 | 0 | 0 | 0 | 111.8 | F333 W334 G337 E338 F342 L343 V344 L376 F380 L392 L393 L400 L404 | F333-F340 HydrophobicContact CE1-CB 3.87Å; F333-F340 HydrophobicContact CE1-CD2 4.13Å; F333-F340 HydrophobicContact CE1-CG 4.37Å; F333-F340 HydrophobicContact CE2-CB 4.38Å; F333-F340 HydrophobicContact CZ-CB 3.58Å; F333-F340 AromaticContact CZ-CD2 3.99Å; F333-F340 HydrophobicContact CZ-CD2 3.99Å; F333-F340 HydrophobicContact CZ-CG 4.26Å; W334-F340 HydrophobicContact CH2-CD2 4.19Å; W334-F340 HydrophobicContact CH2-CE2 4.22Å; W334-F340 HydrophobicContact CZ3-CD1 4.23Å; W334-F340 HydrophobicContact CZ3-CD2 4.04Å; W334-F340 HydrophobicContact CZ3-CE1 4.45Å; W334-F340 HydrophobicContact CZ3-CE2 4.28Å; W334-F340 HydrophobicContact CZ3-CG 4.01Å; W334-F340 HydrophobicContact CZ3-CZ 4.48Å; G337-F340 WeakPolarHBondContact O-CB 3.38Å; G337-F340 PolarHBondContact O-N 2.93Å; G337-F340 VanDerWaalsContact O-N 3.09Å; E338-F340 VanDerWaalsContact C-N 3.27Å; E338-F340 PolarHBondContact O-N 3.28Å; F340-F342 VanDerWaalsContact C-N 3.33Å; F340-F342 PolarHBondContact O-N 3.15Å; F340-L343 PolarHBondContact O-N 3.47Å; F340-V344 HydrophobicContact CD2-CG2 4.44Å; F340-V344 HydrophobicContact CE1-CG2 4.34Å; F340-V344 HydrophobicContact CE2-CG2 4.06Å; F340-V344 HydrophobicContact CZ-CG2 4.01Å; F340-V344 WeakPolarHBondContact O-CG2 3.31Å; F340-V344 PolarHBondContact O-N 3.27Å; F340-V344 VanDerWaalsContact O-N 3.09Å; F340-L376 HydrophobicContact CD2-CD2 3.59Å; F340-L376 HydrophobicContact CE2-CD2 3.76Å; F340-F380 HydrophobicContact CE2-CE2 4.06Å; F340-F380 HydrophobicContact CE2-CZ 4.16Å; F340-F380 HydrophobicContact CZ-CZ 4.2Å; F340-L392 HydrophobicContact CB-CD2 4.08Å; F340-L392 HydrophobicContact CD1-CD2 3.56Å; F340-L392 HydrophobicContact CD1-CG 4.12Å; F340-L392 HydrophobicContact CE1-CD2 4.43Å; F340-L392 HydrophobicContact CG-CD2 4.18Å; F340-L393 HydrophobicContact CE1-CD2 3.74Å; F340-L393 HydrophobicContact CZ-CD2 3.81Å; F340-L400 HydrophobicContact CD1-CD2 3.45Å; F340-L400 VanDerWaalsContact CD1-CD2 3.45Å; F340-L400 HydrophobicContact CD1-CG 4.21Å; F340-L400 HydrophobicContact CE1-CD2 3.38Å; F340-L400 HydrophobicContact CE1-CG 3.69Å; F340-L404 HydrophobicContact CE2-CD2 4.11Å; F340-L404 HydrophobicContact CZ-CD2 4.03Å |
| 341 | V | 96.4 | Very high | 93.2 | Very high | 53 Ų | 53 | 36.6 Ų | 36.6 | 32% | 0.321 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.1 | -45.9 | 177.5 | 177 | 0 | 0 | 0 | 0 | 110.6 | G337 E338 V344 Q345 L400 | G337-V341 PolarHBondContact O-N 2.9Å; G337-V341 VanDerWaalsContact O-N 3.12Å; E338-V341 PolarHBondContact O-N 3.1Å; V341-V344 PolarHBondContact O-N 3.47Å; V341-Q345 PolarHBondContact O-N 2.9Å; V341-L400 HydrophobicContact CG2-CD2 3.79Å |
| 342 | F | 96.3 | Very high | 92.2 | Very high | 49 Ų | 49 | 40.7 Ų | 40.7 | 22% | 0.215 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.6 | -50.9 | 176.2 | 173 | -97.8 | 0 | 0 | 0 | 111.7 | L302 L303 L312 E338 F340 V344 Q345 T346 | L302-F342 HydrophobicContact CD1-CE1 4.22Å; L302-F342 HydrophobicContact CD2-CD1 3.83Å; L302-F342 HydrophobicContact CD2-CE1 4.01Å; L302-F342 HydrophobicContact CG-CD1 4Å; L302-F342 HydrophobicContact CG-CE1 3.69Å; L302-F342 WeakPolarHBondContact O-CZ 3.44Å; L303-F342 HydrophobicContact CD2-CB 3.4Å; L303-F342 VanDerWaalsContact CD2-CB 3.4Å; L303-F342 HydrophobicContact CD2-CD1 4.26Å; L303-F342 HydrophobicContact CD2-CD2 3.9Å; L303-F342 HydrophobicContact CD2-CG 3.6Å; L312-F342 HydrophobicContact CD1-CE1 3.81Å; L312-F342 HydrophobicContact CD1-CZ 3.91Å; E338-F342 WeakPolarHBondContact O-CB 3.44Å; E338-F342 PolarHBondContact O-N 3.14Å; F340-F342 VanDerWaalsContact C-N 3.33Å; F340-F342 PolarHBondContact O-N 3.15Å; F342-V344 VanDerWaalsContact C-N 3.29Å; F342-V344 PolarHBondContact O-N 2.98Å; F342-Q345 PolarHBondContact O-N 3.23Å; F342-Q345 VanDerWaalsContact O-N 3.1Å; F342-T346 PolarHBondContact O-N 2.95Å; F342-T346 PolarHBondContact O-OG1 3.04Å |
| 343 | L | 96.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.4 | -38.9 | 178.9 | -70.7 | 177.3 | 0 | 0 | 0 | 113.1 | L316 F333 A339 F340 L347 I372 L376 | L316-L343 HydrophobicContact CD1-CD2 4.49Å; L316-L343 HydrophobicContact CD2-CD2 3.34Å; F333-L343 HydrophobicContact CE2-CD1 3.86Å; F333-L343 HydrophobicContact CZ-CD1 3.98Å; A339-L343 WeakPolarHBondContact O-CB 3.4Å; A339-L343 WeakPolarHBondContact O-CG 3.41Å; A339-L343 PolarHBondContact O-N 3.48Å; F340-L343 PolarHBondContact O-N 3.47Å; L343-L347 VanDerWaalsContact O-CB 3.31Å; L343-L347 WeakPolarHBondContact O-CB 3.42Å; L343-L347 PolarHBondContact O-N 3.46Å; L343-I372 HydrophobicContact CB-CG2 4.09Å; L343-I372 HydrophobicContact CD2-CG1 4.16Å; L343-I372 HydrophobicContact CD2-CG2 4.21Å; L343-L376 HydrophobicContact CB-CD2 4.22Å; L343-L376 HydrophobicContact CD1-CD2 3.68Å; L343-L376 HydrophobicContact CD1-CG 4.32Å |
| 344 | V | 96.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.3 | -45.9 | 176.3 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | F340 V341 F342 L347 E348 L400 R403 L404 | F340-V344 HydrophobicContact CD2-CG2 4.44Å; F340-V344 HydrophobicContact CE1-CG2 4.34Å; F340-V344 HydrophobicContact CE2-CG2 4.06Å; F340-V344 HydrophobicContact CZ-CG2 4.01Å; F340-V344 WeakPolarHBondContact O-CG2 3.31Å; F340-V344 PolarHBondContact O-N 3.27Å; F340-V344 VanDerWaalsContact O-N 3.09Å; V341-V344 PolarHBondContact O-N 3.47Å; F342-V344 VanDerWaalsContact C-N 3.29Å; F342-V344 PolarHBondContact O-N 2.98Å; V344-L347 PolarHBondContact O-N 2.99Å; V344-E348 WeakPolarHBondContact O-CG 3.49Å; V344-E348 PolarHBondContact O-N 3.44Å; V344-L400 HydrophobicContact CB-CD1 4.11Å; V344-L400 HydrophobicContact CG1-CD1 3.98Å; V344-L400 HydrophobicContact CG2-CD1 4.17Å; V344-R403 HydrophobicContact CG1-CB 4.09Å; V344-L404 HydrophobicContact CG1-CB 4.26Å; V344-L404 HydrophobicContact CG2-CB 4.06Å; V344-L404 HydrophobicContact CG2-CD1 4.19Å |
| 345 | Q | 95 | Very high | 86.4 | Confident | 86 Ų | 86 | 45.9 Ų | 45.9 | 40% | 0.402 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.7 | -45.8 | 179.2 | 177.6 | 173 | -8.5 | 0 | 0 | 112.1 | V341 F342 L347 E348 E349 | V341-Q345 PolarHBondContact O-N 2.9Å; F342-Q345 PolarHBondContact O-N 3.23Å; F342-Q345 VanDerWaalsContact O-N 3.1Å; Q345-L347 VanDerWaalsContact C-N 3.27Å; Q345-L347 PolarHBondContact O-N 2.95Å; Q345-E348 WeakPolarHBondContact O-CB 3.41Å; Q345-E348 PolarHBondContact O-N 3.3Å; Q345-E349 HydrophobicContact CG-CG 4.46Å; Q345-E349 VanDerWaalsContact CG-OE1 3.23Å; Q345-E349 WeakPolarHBondContact CG-OE1 3.3Å; Q345-E349 PolarHBondContact NE2-OE1 3.14Å; Q345-E349 WeakPolarHBondContact O-CG 3.43Å; Q345-E349 PolarHBondContact O-N 2.97Å |
| 346 | T | 93.6 | Very high | 84.4 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 7% | 0.067 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.1 | -41.3 | 176 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | L312 F342 E349 C350 L368 I372 | L312-T346 HydrophobicContact CD2-CG2 4.06Å; F342-T346 PolarHBondContact O-N 2.95Å; F342-T346 PolarHBondContact O-OG1 3.04Å; T346-E349 PolarHBondContact O-N 3.2Å; T346-C350 WeakPolarHBondContact O-CB 3.39Å; T346-C350 PolarHBondContact O-N 2.58Å; T346-C350 PolarHBondContact O-SG 3.29Å; T346-L368 HydrophobicContact CG2-CD2 4.38Å; T346-I372 HydrophobicContact CG2-CD1 3.71Å |
| 347 | L | 94 | Very high | 82.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 177.7 | -172.9 | 62 | 0 | 0 | 0 | 112.2 | L343 V344 Q345 L351 I372 V373 L404 A407 F408 | L343-L347 VanDerWaalsContact O-CB 3.31Å; L343-L347 WeakPolarHBondContact O-CB 3.42Å; L343-L347 PolarHBondContact O-N 3.46Å; V344-L347 PolarHBondContact O-N 2.99Å; Q345-L347 VanDerWaalsContact C-N 3.27Å; Q345-L347 PolarHBondContact O-N 2.95Å; L347-L351 HydrophobicContact CD1-CD1 3.55Å; L347-L351 HydrophobicContact CD1-CG 4.3Å; L347-L351 HydrophobicContact CG-CD1 4.01Å; L347-L351 WeakPolarHBondContact O-CB 3.27Å; L347-L351 PolarHBondContact O-N 3.45Å; L347-I372 HydrophobicContact CB-CG2 4.21Å; L347-I372 HydrophobicContact CD2-CG2 4.39Å; L347-V373 HydrophobicContact CD1-CG2 4.11Å; L347-V373 HydrophobicContact CD2-CG2 3.83Å; L347-L404 HydrophobicContact CD2-CD1 4.09Å; L347-A407 HydrophobicContact CD2-CB 4.39Å; L347-A407 HydrophobicContact CG-CB 4.34Å; L347-F408 HydrophobicContact CD2-CB 3.73Å |
| 348 | E | 91.5 | Very high | 80 | Confident | 34 Ų | 34 | 52 Ų | 52 | 16% | 0.159 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.3 | -51.1 | 172.2 | -74 | 172.9 | 162.1 | 0 | 0 | 110.3 | V344 Q345 C350 L351 H352 R403 A407 | V344-E348 WeakPolarHBondContact O-CG 3.49Å; V344-E348 PolarHBondContact O-N 3.44Å; Q345-E348 WeakPolarHBondContact O-CB 3.41Å; Q345-E348 PolarHBondContact O-N 3.3Å; E348-C350 PolarHBondContact O-N 3.41Å; E348-L351 PolarHBondContact O-N 3.16Å; E348-H352 WeakPolarHBondContact O-CA 3.37Å; E348-H352 WeakPolarHBondContact O-CB 3.47Å; E348-H352 PolarHBondContact O-N 3.36Å; E348-R403 WeakPolarHBondContact OE1-CB 3.48Å; E348-R403 WeakPolarHBondContact OE1-CG 3.44Å; E348-R403 IonicContact OE1-CZ 3.7Å; E348-R403 IonicContact OE1-NE 2.87Å; E348-R403 PolarHBondContact OE1-NE 2.92Å; E348-R403 IonicContact OE1-NH2 3.71Å; E348-R403 IonicContact OE2-CZ 3.39Å; E348-R403 IonicContact OE2-NE 3.33Å; E348-R403 PolarHBondContact OE2-NE 2.88Å; E348-R403 IonicContact OE2-NH2 2.65Å; E348-R403 PolarHBondContact OE2-NH2 2.74Å; E348-A407 HydrophobicContact CB-CB 4.5Å; E348-A407 HydrophobicContact CG-CB 3.55Å |
| 349 | E | 89.2 | Confident | 78.3 | Confident | 121 Ų | 121 | 54 Ų | 54 | 57% | 0.565 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.5 | -40.6 | -179.1 | -71.2 | 169.1 | -171.8 | 0 | 0 | 112.6 | Q345 T346 L351 | Q345-E349 HydrophobicContact CG-CG 4.46Å; Q345-E349 VanDerWaalsContact CG-OE1 3.23Å; Q345-E349 WeakPolarHBondContact CG-OE1 3.3Å; Q345-E349 PolarHBondContact NE2-OE1 3.14Å; Q345-E349 WeakPolarHBondContact O-CG 3.43Å; Q345-E349 PolarHBondContact O-N 2.97Å; T346-E349 PolarHBondContact O-N 3.2Å; E349-L351 VanDerWaalsContact C-N 3.31Å; E349-L351 PolarHBondContact O-N 2.98Å |
| 350 | C | 86.7 | Confident | 76.9 | Confident | 18 Ų | 18 | 57.3 Ų | 57.3 | 12% | 0.122 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.2 | -33.6 | 177.5 | -71.5 | 0 | 0 | 0 | 0 | 113.1 | T346 E348 S369 | T346-C350 WeakPolarHBondContact O-CB 3.39Å; T346-C350 PolarHBondContact O-N 2.58Å; T346-C350 PolarHBondContact O-SG 3.29Å; E348-C350 PolarHBondContact O-N 3.41Å; C350-S369 WeakPolarHBondContact CB-OG 3.4Å |
| 351 | L | 82.5 | Confident | 76 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -108.5 | -19.4 | -170.8 | -61.4 | 173.1 | 0 | 0 | 0 | 114 | L347 E348 E349 G353 C354 Y361 A407 Y434 | L347-L351 HydrophobicContact CD1-CD1 3.55Å; L347-L351 HydrophobicContact CD1-CG 4.3Å; L347-L351 HydrophobicContact CG-CD1 4.01Å; L347-L351 WeakPolarHBondContact O-CB 3.27Å; L347-L351 PolarHBondContact O-N 3.45Å; E348-L351 PolarHBondContact O-N 3.16Å; E349-L351 VanDerWaalsContact C-N 3.31Å; E349-L351 PolarHBondContact O-N 2.98Å; L351-G353 VanDerWaalsContact C-N 3.31Å; L351-G353 PolarHBondContact O-N 2.92Å; L351-C354 PolarHBondContact O-N 2.95Å; L351-Y361 HydrophobicContact CD2-CD1 4.14Å; L351-Y361 HydrophobicContact CD2-CE1 3.93Å; L351-A407 VanDerWaalsContact CD1-O 3.3Å; L351-A407 WeakPolarHBondContact CD1-O 3.39Å; L351-Y434 HydrophobicContact CD1-CE2 4.33Å; L351-Y434 WeakPolarHBondContact CD1-OH 3.34Å |
| 352 | H | 70.2 | Confident | 75.4 | Confident | 120 Ų | 120 | 58.7 Ų | 58.7 | 56% | 0.556 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.9 | -36.7 | -179.9 | -123.5 | 61.9 | 0 | 0 | 0 | 112.7 | E348 C354 Q355 | E348-H352 WeakPolarHBondContact O-CA 3.37Å; E348-H352 WeakPolarHBondContact O-CB 3.47Å; E348-H352 PolarHBondContact O-N 3.36Å; H352-C354 PolarHBondContact O-N 3.44Å; H352-Q355 PolarHBondContact O-N 3.45Å |
| 353 | G | 54.8 | Low | 75 | Confident | 46 Ų | 46 | 59 Ų | 59 | 47% | 0.474 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.6 | -30 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L351 | L351-G353 VanDerWaalsContact C-N 3.31Å; L351-G353 PolarHBondContact O-N 2.92Å |
| 354 | C | 52.5 | Low | 74.6 | Confident | 19 Ų | 19 | 64.2 Ų | 64.2 | 13% | 0.128 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -85.7 | -14 | -177.4 | -59.4 | 0 | 0 | 0 | 0 | 113.4 | L351 H352 S358 Y361 | L351-C354 PolarHBondContact O-N 2.95Å; H352-C354 PolarHBondContact O-N 3.44Å; C354-S358 WeakPolarHBondContact CA-O 3.44Å; C354-Y361 HydrophobicContact CB-CD1 3.92Å; C354-Y361 HydrophobicContact CB-CE1 3.65Å; C354-Y361 VanDerWaalsContact SG-CD1 3.59Å |
| 355 | Q | 56.1 | Low | 74.3 | Confident | 77 Ų | 77 | 66.8 Ų | 66.8 | 36% | 0.36 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -82.8 | -18.8 | -178.2 | -65.9 | -177.9 | 3.5 | 0 | 0 | 113.3 | H352 | H352-Q355 PolarHBondContact O-N 3.45Å |
| 356 | S | 51.3 | Low | 74.1 | Confident | 89 Ų | 89 | 62.7 Ų | 62.7 | 62% | 0.622 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -117.9 | -37.2 | -169.4 | 61 | 0 | 0 | 0 | 0 | 116.4 | ||
| 357 | L | 43.3 | Very low | 74.1 | Confident | 168 Ų | 168 | 65 Ų | 65 | 88% | 0.88 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.2 | -18.4 | -166.6 | -79.8 | 157.5 | 0 | 0 | 0 | 117.2 | ||
| 358 | S | 47.5 | Very low | 74.1 | Confident | 73 Ų | 73 | 65.3 Ų | 65.3 | 51% | 0.51 | 35% | 0.354 | S | S | . | . | trans | -136.6 | 118.4 | 175.3 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | C354 V360 | C354-S358 WeakPolarHBondContact CA-O 3.44Å; S358-V360 PolarHBondContact O-N 2.92Å; S358-V360 VanDerWaalsContact O-N 3.1Å | ||
| 359 | R | 58.4 | Low | 74.3 | Confident | 169 Ų | 169 | 63.7 Ų | 63.7 | 64% | 0.638 | 35% | 0.346 | S | S | * | . | trans | -78.9 | 11.1 | -165.7 | -137.9 | -178.8 | -155.9 | 170 | 6.1 | 114.8 | ||||
| 360 | V | 65.8 | Low | 74.6 | Confident | 69 Ų | 69 | 58.3 Ų | 58.3 | 42% | 0.418 | 32% | 0.322 | S | S | . | . | trans | -121.5 | 120.6 | -167.1 | -171.4 | 0 | 0 | 0 | 0 | 109.4 | S358 L427 | S358-V360 PolarHBondContact O-N 2.92Å; S358-V360 VanDerWaalsContact O-N 3.1Å; V360-L427 HydrophobicContact CG1-CD2 4.28Å | ||
| 361 | Y | 77.3 | Confident | 75.1 | Confident | 16 Ų | 16 | 57.7 Ų | 57.7 | 6% | 0.063 | 32% | 0.317 | C | S | . | . | trans | -75 | 140.6 | 169.2 | -58.6 | -77.7 | 0 | 0 | 0 | 109.2 | L351 C354 L366 C410 D411 L427 L431 | L351-Y361 HydrophobicContact CD2-CD1 4.14Å; L351-Y361 HydrophobicContact CD2-CE1 3.93Å; C354-Y361 HydrophobicContact CB-CD1 3.92Å; C354-Y361 HydrophobicContact CB-CE1 3.65Å; C354-Y361 VanDerWaalsContact SG-CD1 3.59Å; Y361-L366 HydrophobicContact CD1-CD2 4.14Å; Y361-L366 HydrophobicContact CD2-CD2 4.41Å; Y361-L366 HydrophobicContact CG-CD2 3.91Å; Y361-L366 HydrophobicContact CG-CG 4.3Å; Y361-C410 WeakPolarHBondContact OH-CB 3.48Å; Y361-D411 PolarHBondContact OH-N 3.35Å; Y361-L427 WeakPolarHBondContact O-CD1 3.38Å; Y361-L431 HydrophobicContact CD2-CD1 4.31Å; Y361-L431 HydrophobicContact CE2-CD1 4.16Å | ||
| 362 | T | 84.8 | Confident | 75.8 | Confident | 67 Ų | 67 | 57.6 Ų | 57.6 | 41% | 0.411 | 32% | 0.317 | S | S | . | . | trans | -83.6 | 154.6 | 167.8 | 72.9 | 0 | 0 | 0 | 0 | 110.8 | D364 Q365 L366 | T362-D364 VanDerWaalsContact C-N 3.29Å; T362-D364 PolarHBondContact O-N 2.97Å; T362-Q365 WeakPolarHBondContact O-CB 3.5Å; T362-Q365 PolarHBondContact O-N 2.65Å; T362-Q365 WeakPolarHBondContact OG1-CB 3.39Å; T362-Q365 WeakPolarHBondContact OG1-CG 3.39Å; T362-Q365 PolarHBondContact OG1-N 3.39Å; T362-Q365 PolarHBondContact OG1-OE1 3.23Å; T362-L366 PolarHBondContact O-N 2.99Å | ||
| 363 | T | 87.8 | Confident | 77.1 | Confident | 56 Ų | 56 | 51.9 Ų | 51.9 | 34% | 0.344 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -52.2 | -48.4 | 174.1 | -52.5 | 0 | 0 | 0 | 0 | 111.3 | Q365 L366 L367 L430 | T363-Q365 VanDerWaalsContact C-N 3.34Å; T363-Q365 PolarHBondContact O-N 2.92Å; T363-L366 PolarHBondContact O-N 3.29Å; T363-L367 HydrophobicContact CG2-CD1 3.95Å; T363-L367 HydrophobicContact CG2-CG 4.46Å; T363-L367 WeakPolarHBondContact O-CB 3.42Å; T363-L367 WeakPolarHBondContact O-CG 3.34Å; T363-L367 PolarHBondContact O-N 3.13Å; T363-L430 HydrophobicContact CG2-CD1 3.42Å; T363-L430 VanDerWaalsContact CG2-CD1 3.42Å |
| 364 | D | 88.1 | Confident | 79.1 | Confident | 108 Ų | 108 | 51.3 Ų | 51.3 | 58% | 0.578 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.2 | -39.7 | -178.8 | -58.8 | -32.1 | 0 | 0 | 0 | 112.3 | T362 L367 L368 | T362-D364 VanDerWaalsContact C-N 3.29Å; T362-D364 PolarHBondContact O-N 2.97Å; D364-L367 PolarHBondContact O-N 3.08Å; D364-L368 WeakPolarHBondContact O-CB 3.23Å; D364-L368 PolarHBondContact O-N 3.46Å |
| 365 | Q | 88.9 | Confident | 81.2 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 176 | -77 | 168.8 | -13.7 | 0 | 0 | 111.3 | T362 T363 S369 | T362-Q365 WeakPolarHBondContact O-CB 3.5Å; T362-Q365 PolarHBondContact O-N 2.65Å; T362-Q365 WeakPolarHBondContact OG1-CB 3.39Å; T362-Q365 WeakPolarHBondContact OG1-CG 3.39Å; T362-Q365 PolarHBondContact OG1-N 3.39Å; T362-Q365 PolarHBondContact OG1-OE1 3.23Å; T363-Q365 VanDerWaalsContact C-N 3.34Å; T363-Q365 PolarHBondContact O-N 2.92Å; Q365-S369 WeakPolarHBondContact O-CB 3.25Å; Q365-S369 PolarHBondContact O-N 3.49Å; Q365-S369 PolarHBondContact O-OG 2.98Å |
| 366 | L | 91.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67 | -41.2 | 178.8 | -70.9 | 178.2 | 0 | 0 | 0 | 111.8 | Y361 T362 T363 T370 L427 L430 L431 Y434 | Y361-L366 HydrophobicContact CD1-CD2 4.14Å; Y361-L366 HydrophobicContact CD2-CD2 4.41Å; Y361-L366 HydrophobicContact CG-CD2 3.91Å; Y361-L366 HydrophobicContact CG-CG 4.3Å; T362-L366 PolarHBondContact O-N 2.99Å; T363-L366 PolarHBondContact O-N 3.29Å; L366-T370 WeakPolarHBondContact O-CB 3.03Å; L366-T370 PolarHBondContact O-N 3.28Å; L366-T370 PolarHBondContact O-OG1 2.8Å; L366-L427 HydrophobicContact CD1-CD1 3.63Å; L366-L427 HydrophobicContact CD1-CG 4.36Å; L366-L430 HydrophobicContact CB-CB 4.27Å; L366-L430 HydrophobicContact CD1-CB 3.98Å; L366-L431 HydrophobicContact CD1-CB 4.16Å; L366-L431 HydrophobicContact CD2-CD1 4.22Å; L366-Y434 HydrophobicContact CD2-CG 4.33Å |
| 367 | L | 93.4 | Very high | 85.3 | Confident | 58 Ų | 58 | 42.9 Ų | 42.9 | 30% | 0.304 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.5 | -49.9 | 177.4 | -74.6 | 172.2 | 0 | 0 | 0 | 111.5 | Y313 T363 D364 T370 L371 L430 | Y313-L367 HydrophobicContact CE2-CB 4.3Å; T363-L367 HydrophobicContact CG2-CD1 3.95Å; T363-L367 HydrophobicContact CG2-CG 4.46Å; T363-L367 WeakPolarHBondContact O-CB 3.42Å; T363-L367 WeakPolarHBondContact O-CG 3.34Å; T363-L367 PolarHBondContact O-N 3.13Å; D364-L367 PolarHBondContact O-N 3.08Å; L367-T370 PolarHBondContact O-N 3.34Å; L367-L371 WeakPolarHBondContact O-CB 3.3Å; L367-L371 PolarHBondContact O-N 2.77Å; L367-L430 HydrophobicContact CD2-CD2 3.65Å; L367-L430 HydrophobicContact CG-CD1 4.47Å; L367-L430 HydrophobicContact CG-CD2 4.31Å |
| 368 | L | 94.5 | Very high | 87.6 | Confident | 8 Ų | 8 | 35.6 Ų | 35.6 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.1 | -47.3 | 178.6 | -179.7 | 60 | 0 | 0 | 0 | 111.4 | V309 L312 L316 T346 D364 T370 L371 I372 | V309-L368 HydrophobicContact CG1-CD2 4.27Å; L312-L368 HydrophobicContact CD2-CD1 4.2Å; L312-L368 HydrophobicContact CD2-CD2 3.95Å; L312-L368 HydrophobicContact CG-CD1 4.16Å; L316-L368 HydrophobicContact CD1-CD1 3.52Å; T346-L368 HydrophobicContact CG2-CD2 4.38Å; D364-L368 WeakPolarHBondContact O-CB 3.23Å; D364-L368 PolarHBondContact O-N 3.46Å; L368-T370 VanDerWaalsContact C-N 3.33Å; L368-T370 PolarHBondContact O-N 2.91Å; L368-L371 PolarHBondContact O-N 3.41Å; L368-L371 VanDerWaalsContact O-N 3.15Å; L368-I372 HydrophobicContact CD1-CD1 4.28Å; L368-I372 HydrophobicContact CD1-CG1 4.42Å; L368-I372 HydrophobicContact CG-CD1 4.05Å; L368-I372 WeakPolarHBondContact O-CG1 3.22Å; L368-I372 PolarHBondContact O-N 3.01Å |
| 369 | S | 95.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.7 | -40.6 | 179.8 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | C350 Q365 L371 I372 V373 | C350-S369 WeakPolarHBondContact CB-OG 3.4Å; Q365-S369 WeakPolarHBondContact O-CB 3.25Å; Q365-S369 PolarHBondContact O-N 3.49Å; Q365-S369 PolarHBondContact O-OG 2.98Å; S369-L371 VanDerWaalsContact C-N 3.34Å; S369-L371 PolarHBondContact O-N 2.94Å; S369-I372 PolarHBondContact O-N 2.71Å; S369-V373 WeakPolarHBondContact O-CB 3.35Å; S369-V373 VanDerWaalsContact O-CG2 3.26Å; S369-V373 WeakPolarHBondContact O-CG2 3.42Å; S369-V373 PolarHBondContact O-N 2.83Å |
| 370 | T | 96.3 | Very high | 91.5 | Very high | 7 Ų | 7 | 24.2 Ų | 24.2 | 4% | 0.043 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.1 | -45.9 | 174.3 | -62.7 | 0 | 0 | 0 | 0 | 110.6 | L366 L367 L368 I372 V373 Q374 E433 Y434 A437 | L366-T370 WeakPolarHBondContact O-CB 3.03Å; L366-T370 PolarHBondContact O-N 3.28Å; L366-T370 PolarHBondContact O-OG1 2.8Å; L367-T370 PolarHBondContact O-N 3.34Å; L368-T370 VanDerWaalsContact C-N 3.33Å; L368-T370 PolarHBondContact O-N 2.91Å; T370-I372 PolarHBondContact O-N 3.34Å; T370-V373 PolarHBondContact O-N 3.1Å; T370-Q374 HydrophobicContact CG2-CG 4.23Å; T370-Q374 VanDerWaalsContact CG2-NE2 3.33Å; T370-Q374 VanDerWaalsContact O-CB 3.32Å; T370-Q374 WeakPolarHBondContact O-CB 3.15Å; T370-Q374 WeakPolarHBondContact O-CG 3.42Å; T370-Q374 PolarHBondContact O-N 3.44Å; T370-E433 HydrophobicContact CG2-CG 4.09Å; T370-Y434 WeakPolarHBondContact OG1-CA 3.17Å; T370-Y434 WeakPolarHBondContact OG1-CB 3.4Å; T370-A437 HydrophobicContact CG2-CB 4.22Å |
| 371 | L | 96.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.1 | -41.5 | 179 | -175.7 | 60.2 | 0 | 0 | 0 | 112.2 | Y313 L316 Q317 L367 L368 S369 T375 | Y313-L371 HydrophobicContact CD1-CD2 4.49Å; Y313-L371 HydrophobicContact CD2-CD2 3.67Å; Y313-L371 HydrophobicContact CE1-CD2 4.5Å; Y313-L371 HydrophobicContact CE2-CB 4.29Å; Y313-L371 HydrophobicContact CE2-CD2 3.68Å; Y313-L371 HydrophobicContact CG-CD2 4.09Å; Y313-L371 WeakPolarHBondContact O-CD2 3.29Å; L316-L371 HydrophobicContact CB-CD2 3.61Å; L316-L371 HydrophobicContact CB-CG 4.04Å; Q317-L371 HydrophobicContact CB-CD2 4.23Å; L367-L371 WeakPolarHBondContact O-CB 3.3Å; L367-L371 PolarHBondContact O-N 2.77Å; L368-L371 PolarHBondContact O-N 3.41Å; L368-L371 VanDerWaalsContact O-N 3.15Å; S369-L371 VanDerWaalsContact C-N 3.34Å; S369-L371 PolarHBondContact O-N 2.94Å; L371-T375 VanDerWaalsContact O-CB 3.29Å; L371-T375 WeakPolarHBondContact O-CB 3.49Å; L371-T375 PolarHBondContact O-N 2.74Å; L371-T375 PolarHBondContact O-OG1 2.63Å |
| 372 | I | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.1 | -53 | 175.2 | -68.1 | 168.4 | 0 | 0 | 0 | 110.1 | L316 L343 T346 L347 L368 S369 T370 Q374 T375 L376 | L316-I372 HydrophobicContact CD1-CD1 4.47Å; L316-I372 HydrophobicContact CD1-CG1 3.78Å; L343-I372 HydrophobicContact CB-CG2 4.09Å; L343-I372 HydrophobicContact CD2-CG1 4.16Å; L343-I372 HydrophobicContact CD2-CG2 4.21Å; T346-I372 HydrophobicContact CG2-CD1 3.71Å; L347-I372 HydrophobicContact CB-CG2 4.21Å; L347-I372 HydrophobicContact CD2-CG2 4.39Å; L368-I372 HydrophobicContact CD1-CD1 4.28Å; L368-I372 HydrophobicContact CD1-CG1 4.42Å; L368-I372 HydrophobicContact CG-CD1 4.05Å; L368-I372 WeakPolarHBondContact O-CG1 3.22Å; L368-I372 PolarHBondContact O-N 3.01Å; S369-I372 PolarHBondContact O-N 2.71Å; T370-I372 PolarHBondContact O-N 3.34Å; I372-Q374 PolarHBondContact O-N 3.1Å; I372-T375 WeakPolarHBondContact O-CB 3.39Å; I372-T375 PolarHBondContact O-N 3.19Å; I372-T375 VanDerWaalsContact O-N 3.14Å; I372-L376 HydrophobicContact CG2-CD1 4.07Å; I372-L376 HydrophobicContact CG2-CG 4.38Å; I372-L376 WeakPolarHBondContact O-CG 3.42Å; I372-L376 PolarHBondContact O-N 3.36Å |
| 373 | V | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.8 | -43.6 | -177.7 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | L347 S369 T370 T375 L376 A377 F408 Y434 A437 L441 | L347-V373 HydrophobicContact CD1-CG2 4.11Å; L347-V373 HydrophobicContact CD2-CG2 3.83Å; S369-V373 WeakPolarHBondContact O-CB 3.35Å; S369-V373 VanDerWaalsContact O-CG2 3.26Å; S369-V373 WeakPolarHBondContact O-CG2 3.42Å; S369-V373 PolarHBondContact O-N 2.83Å; T370-V373 PolarHBondContact O-N 3.1Å; V373-T375 VanDerWaalsContact C-N 3.34Å; V373-T375 PolarHBondContact O-N 3.07Å; V373-L376 PolarHBondContact O-N 2.98Å; V373-A377 PolarHBondContact O-N 3.32Å; V373-F408 HydrophobicContact CG2-CB 4.1Å; V373-Y434 HydrophobicContact CG2-CE2 3.97Å; V373-A437 HydrophobicContact CB-CB 4.31Å; V373-A437 HydrophobicContact CG1-CB 3.81Å; V373-A437 VanDerWaalsContact CG1-O 3.27Å; V373-A437 WeakPolarHBondContact CG1-O 3.49Å; V373-L441 HydrophobicContact CB-CD2 4.48Å; V373-L441 HydrophobicContact CG1-CB 3.81Å; V373-L441 HydrophobicContact CG1-CD2 3.91Å; V373-L441 HydrophobicContact CG2-CD2 4.47Å |
| 374 | Q | 96.2 | Very high | 92.4 | Very high | 34 Ų | 34 | 16.9 Ų | 16.9 | 16% | 0.159 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | 175.2 | -71.4 | 175.9 | -2.9 | 0 | 0 | 111.4 | T370 I372 A377 I378 E433 A437 | T370-Q374 HydrophobicContact CG2-CG 4.23Å; T370-Q374 VanDerWaalsContact CG2-NE2 3.33Å; T370-Q374 VanDerWaalsContact O-CB 3.32Å; T370-Q374 WeakPolarHBondContact O-CB 3.15Å; T370-Q374 WeakPolarHBondContact O-CG 3.42Å; T370-Q374 PolarHBondContact O-N 3.44Å; I372-Q374 PolarHBondContact O-N 3.1Å; Q374-A377 PolarHBondContact O-N 2.91Å; Q374-I378 VanDerWaalsContact O-CD1 3.28Å; Q374-I378 WeakPolarHBondContact O-CD1 3.17Å; Q374-I378 WeakPolarHBondContact O-CG1 3.34Å; Q374-I378 PolarHBondContact O-N 2.75Å; Q374-E433 PolarHBondContact NE2-OE1 2.91Å; Q374-A437 HydrophobicContact CG-CB 3.6Å |
| 375 | T | 97.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.8 | -47.6 | 176.9 | -59 | 0 | 0 | 0 | 0 | 111 | L319 R320 L371 I372 V373 A377 I378 M379 | L319-T375 HydrophobicContact CD2-CG2 4.14Å; L319-T375 HydrophobicContact CG-CG2 4.33Å; R320-T375 HydrophobicContact CB-CG2 4.43Å; R320-T375 WeakPolarHBondContact CB-OG1 3.16Å; L371-T375 VanDerWaalsContact O-CB 3.29Å; L371-T375 WeakPolarHBondContact O-CB 3.49Å; L371-T375 PolarHBondContact O-N 2.74Å; L371-T375 PolarHBondContact O-OG1 2.63Å; I372-T375 WeakPolarHBondContact O-CB 3.39Å; I372-T375 PolarHBondContact O-N 3.19Å; I372-T375 VanDerWaalsContact O-N 3.14Å; V373-T375 VanDerWaalsContact C-N 3.34Å; V373-T375 PolarHBondContact O-N 3.07Å; T375-A377 VanDerWaalsContact C-N 3.34Å; T375-A377 PolarHBondContact O-N 2.86Å; T375-I378 PolarHBondContact O-N 2.98Å; T375-I378 VanDerWaalsContact O-N 3.15Å; T375-M379 HydrophobicContact CG2-CE 4.09Å; T375-M379 HydrophobicContact CG2-CG 4.48Å; T375-M379 WeakPolarHBondContact O-CG 3.28Å; T375-M379 PolarHBondContact O-N 3.28Å |
| 376 | L | 97.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -57.8 | -46.5 | 176.3 | -70 | 178.7 | 0 | 0 | 0 | 111.2 | F333 F340 L343 I372 V373 I378 M379 F380 L404 L441 | F333-L376 HydrophobicContact CZ-CD2 4.26Å; F340-L376 HydrophobicContact CD2-CD2 3.59Å; F340-L376 HydrophobicContact CE2-CD2 3.76Å; L343-L376 HydrophobicContact CB-CD2 4.22Å; L343-L376 HydrophobicContact CD1-CD2 3.68Å; L343-L376 HydrophobicContact CD1-CG 4.32Å; I372-L376 HydrophobicContact CG2-CD1 4.07Å; I372-L376 HydrophobicContact CG2-CG 4.38Å; I372-L376 WeakPolarHBondContact O-CG 3.42Å; I372-L376 PolarHBondContact O-N 3.36Å; V373-L376 PolarHBondContact O-N 2.98Å; L376-I378 PolarHBondContact O-N 3.2Å; L376-M379 WeakPolarHBondContact O-CB 3.45Å; L376-M379 PolarHBondContact O-N 3.44Å; L376-F380 VanDerWaalsContact O-CD2 3.23Å; L376-F380 WeakPolarHBondContact O-CD2 3.07Å; L376-F380 PolarHBondContact O-N 3.32Å; L376-L404 HydrophobicContact CD1-CD1 3.66Å; L376-L404 HydrophobicContact CD1-CD2 4.35Å; L376-L441 HydrophobicContact CB-CD1 3.89Å; L376-L441 HydrophobicContact CB-CD2 4.13Å; L376-L441 HydrophobicContact CD1-CD2 4.2Å |
| 377 | A | 95.3 | Very high | 91.4 | Very high | 8 Ų | 8 | 14 Ų | 14 | 7% | 0.066 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -56.3 | -37.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V373 Q374 T375 R381 L441 | V373-A377 PolarHBondContact O-N 3.32Å; Q374-A377 PolarHBondContact O-N 2.91Å; T375-A377 VanDerWaalsContact C-N 3.34Å; T375-A377 PolarHBondContact O-N 2.86Å; A377-R381 PolarHBondContact O-N 2.88Å; A377-L441 HydrophobicContact CB-CB 4.33Å; A377-L441 HydrophobicContact CB-CD1 4.4Å |
| 378 | I | 93.3 | Very high | 91.1 | Very high | 14 Ų | 14 | 12.5 Ų | 12.5 | 7% | 0.072 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -70.7 | -38.6 | 176.3 | -64.5 | 152.9 | 0 | 0 | 0 | 111.9 | R320 A323 H324 R330 Q374 T375 L376 R381 | R320-I378 HydrophobicContact CG-CD1 3.54Å; A323-I378 HydrophobicContact CB-CG2 3.83Å; H324-I378 VanDerWaalsContact CE1-CD1 3.45Å; H324-I378 WeakPolarHBondContact CE1-CD1 3.44Å; H324-I378 WeakPolarHBondContact NE2-CD1 3.38Å; R330-I378 VanDerWaalsContact CD-O 3.22Å; R330-I378 WeakPolarHBondContact CD-O 3.29Å; R330-I378 PolarHBondContact NH1-O 2.9Å; R330-I378 VanDerWaalsContact NH1-O 3.13Å; Q374-I378 VanDerWaalsContact O-CD1 3.28Å; Q374-I378 WeakPolarHBondContact O-CD1 3.17Å; Q374-I378 WeakPolarHBondContact O-CG1 3.34Å; Q374-I378 PolarHBondContact O-N 2.75Å; T375-I378 PolarHBondContact O-N 2.98Å; T375-I378 VanDerWaalsContact O-N 3.15Å; L376-I378 PolarHBondContact O-N 3.2Å; I378-R381 PolarHBondContact O-N 3.43Å |
| 379 | M | 95.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66 | -36.8 | 178 | -65.6 | -60.2 | -177.9 | 0 | 0 | 112.1 | L319 A323 L329 R330 F333 W334 T375 L376 T383 | L319-M379 HydrophobicContact CD1-CE 3.73Å; L319-M379 HydrophobicContact CD2-CE 4.04Å; L319-M379 HydrophobicContact CG-CE 3.69Å; A323-M379 HydrophobicContact CB-CE 3.69Å; A323-M379 HydrophobicContact CB-SD 4.02Å; L329-M379 HydrophobicContact CD2-CE 4.08Å; R330-M379 HydrophobicContact CB-SD 4.14Å; R330-M379 HydrophobicContact CG-SD 3.76Å; F333-M379 HydrophobicContact CB-CE 4.28Å; F333-M379 HydrophobicContact CB-SD 3.91Å; F333-M379 HydrophobicContact CD1-CB 3.92Å; F333-M379 HydrophobicContact CD1-CG 3.79Å; F333-M379 HydrophobicContact CD1-SD 3.85Å; F333-M379 HydrophobicContact CD2-CE 3.89Å; F333-M379 HydrophobicContact CD2-CG 4.4Å; F333-M379 HydrophobicContact CD2-SD 4.17Å; F333-M379 HydrophobicContact CE1-CB 3.79Å; F333-M379 HydrophobicContact CE1-CG 3.76Å; F333-M379 HydrophobicContact CE1-SD 4.41Å; F333-M379 HydrophobicContact CE2-CE 4.37Å; F333-M379 HydrophobicContact CE2-CG 4.36Å; F333-M379 HydrophobicContact CG-CE 4.01Å; F333-M379 HydrophobicContact CG-CG 4.11Å; F333-M379 HydrophobicContact CG-SD 3.71Å; F333-M379 HydrophobicContact CZ-CB 4.45Å; F333-M379 HydrophobicContact CZ-CG 4.04Å; W334-M379 HydrophobicContact CZ2-CB 4.01Å; W334-M379 PolarHBondContact NE1-O 3.25Å; T375-M379 HydrophobicContact CG2-CE 4.09Å; T375-M379 HydrophobicContact CG2-CG 4.48Å; T375-M379 WeakPolarHBondContact O-CG 3.28Å; T375-M379 PolarHBondContact O-N 3.28Å; L376-M379 WeakPolarHBondContact O-CB 3.45Å; L376-M379 PolarHBondContact O-N 3.44Å; M379-T383 VanDerWaalsContact O-CG2 3.26Å; M379-T383 WeakPolarHBondContact O-CG2 3.36Å; M379-T383 PolarHBondContact O-OG1 2.99Å |
| 380 | F | 92 | Very high | 90.4 | Very high | 3 Ų | 3 | 13.1 Ų | 13.1 | 1% | 0.013 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -69 | -30.8 | 177 | -86.4 | -80.1 | 0 | 0 | 0 | 113.4 | W334 F340 L376 T383 R389 L393 L404 L441 E444 L445 L448 | W334-F380 HydrophobicContact CH2-CD1 4.18Å; W334-F380 HydrophobicContact CH2-CD2 4.27Å; W334-F380 AromaticContact CH2-CE1 3.89Å; W334-F380 HydrophobicContact CH2-CE1 3.89Å; W334-F380 AromaticContact CH2-CE2 3.96Å; W334-F380 HydrophobicContact CH2-CE2 3.96Å; W334-F380 HydrophobicContact CH2-CG 4.35Å; W334-F380 AromaticContact CH2-CZ 3.76Å; W334-F380 HydrophobicContact CH2-CZ 3.76Å; W334-F380 HydrophobicContact CZ2-CD1 4.2Å; W334-F380 HydrophobicContact CZ2-CD2 4.37Å; W334-F380 HydrophobicContact CZ2-CE1 4.37Å; W334-F380 HydrophobicContact CZ2-CG 4.18Å; F340-F380 HydrophobicContact CE2-CE2 4.06Å; F340-F380 HydrophobicContact CE2-CZ 4.16Å; F340-F380 HydrophobicContact CZ-CZ 4.2Å; L376-F380 VanDerWaalsContact O-CD2 3.23Å; L376-F380 WeakPolarHBondContact O-CD2 3.07Å; L376-F380 PolarHBondContact O-N 3.32Å; F380-T383 PolarHBondContact O-OG1 3.42Å; F380-R389 PolarHBondContact O-NH1 2.56Å; F380-L393 HydrophobicContact CE1-CD1 3.67Å; F380-L393 HydrophobicContact CE1-CD2 4.09Å; F380-L393 HydrophobicContact CZ-CD1 4.39Å; F380-L393 HydrophobicContact CZ-CD2 3.98Å; F380-L404 HydrophobicContact CE2-CD2 4.2Å; F380-L404 HydrophobicContact CZ-CD2 4.39Å; F380-L441 HydrophobicContact CD2-CD1 3.76Å; F380-L441 HydrophobicContact CE2-CD1 4.01Å; F380-E444 HydrophobicContact CB-CB 4Å; F380-L445 HydrophobicContact CD1-CD2 4.37Å; F380-L445 HydrophobicContact CE1-CD2 3.69Å; F380-L445 HydrophobicContact CE2-CD2 4.12Å; F380-L445 HydrophobicContact CZ-CD2 3.57Å; F380-L448 HydrophobicContact CE1-CD2 4.42Å |
| 381 | R | 87.1 | Confident | 90 | Very high | 24 Ų | 24 | 15.4 Ų | 15.4 | 9% | 0.091 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 136 | -177.5 | -170.9 | 170.2 | -64.5 | 165 | 1.1 | 111.5 | I265 R330 A377 I378 T383 E444 | I265-R381 VanDerWaalsContact CG2-NH1 3.33Å; R330-R381 PolarHBondContact NH1-O 3.48Å; A377-R381 PolarHBondContact O-N 2.88Å; I378-R381 PolarHBondContact O-N 3.43Å; R381-T383 PolarHBondContact O-N 3.43Å; R381-E444 IonicContact CZ-OE1 3.85Å; R381-E444 VanDerWaalsContact CZ-OE1 3.3Å; R381-E444 IonicContact NE-OE1 2.9Å; R381-E444 PolarHBondContact NE-OE1 3.08Å; R381-E444 IonicContact NH2-OE1 3.36Å; R381-E444 PolarHBondContact NH2-OE1 3.34Å |
| 382 | E | 80.9 | Confident | 89.7 | Confident | 10 Ų | 10 | 17.1 Ų | 17.1 | 5% | 0.047 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 29.6 | 174.4 | -65.4 | 169.4 | -174.4 | 0 | 0 | 114.8 | R36 K266 R330 E384 | R36-E382 PolarHBondContact NH1-O 3.48Å; R36-E382 PolarHBondContact NH2-O 2.7Å; K266-E382 IonicContact NZ-OE1 3.96Å; R330-E382 IonicContact CZ-OE2 3.8Å; R330-E382 IonicContact NH1-OE2 3.92Å; R330-E382 IonicContact NH2-OE2 2.75Å; R330-E382 PolarHBondContact NH2-OE2 3.15Å; E382-E384 WeakPolarHBondContact CA-OE2 3.49Å |
| 383 | T | 86.7 | Confident | 89.4 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -124.1 | 12.3 | 178.5 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | R330 W334 M379 F380 R381 V385 E386 R389 | R330-T383 HydrophobicContact CB-CG2 3.77Å; W334-T383 PolarHBondContact NE1-OG1 3.2Å; W334-T383 VanDerWaalsContact NE1-OG1 3.09Å; M379-T383 VanDerWaalsContact O-CG2 3.26Å; M379-T383 WeakPolarHBondContact O-CG2 3.36Å; M379-T383 PolarHBondContact O-OG1 2.99Å; F380-T383 PolarHBondContact O-OG1 3.42Å; R381-T383 PolarHBondContact O-N 3.43Å; T383-V385 PolarHBondContact O-N 3.25Å; T383-V385 VanDerWaalsContact O-N 3.13Å; T383-E386 WeakPolarHBondContact O-CB 3.3Å; T383-E386 PolarHBondContact O-N 3.18Å; T383-E386 VanDerWaalsContact O-N 3.09Å; T383-R389 VanDerWaalsContact C-NH1 3.29Å; T383-R389 PolarHBondContact OG1-NH1 3.27Å | ||
| 384 | E | 79.8 | Confident | 88.9 | Confident | 20 Ų | 20 | 18.8 Ų | 18.8 | 9% | 0.093 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.8 | -177.3 | 65.4 | -67.7 | 153.3 | 0 | 0 | 114 | R36 E382 | R36-E384 IonicContact CZ-OE1 3.5Å; R36-E384 IonicContact NE-OE1 2.79Å; R36-E384 IonicContact NH1-OE1 3.29Å; E382-E384 WeakPolarHBondContact CA-OE2 3.49Å |
| 385 | V | 78.4 | Confident | 88.5 | Confident | 36 Ų | 36 | 19.3 Ų | 19.3 | 22% | 0.218 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -7.6 | -179.9 | -59.5 | 0 | 0 | 0 | 0 | 113.9 | R36 T383 A387 | R36-V385 HydrophobicContact CB-CG1 3.96Å; R36-V385 VanDerWaalsContact O-CG1 3.29Å; R36-V385 WeakPolarHBondContact O-CG1 3.48Å; T383-V385 PolarHBondContact O-N 3.25Å; T383-V385 VanDerWaalsContact O-N 3.13Å; V385-A387 PolarHBondContact O-N 2.65Å |
| 386 | E | 85.4 | Confident | 88 | Confident | 23 Ų | 23 | 26.2 Ų | 26.2 | 11% | 0.107 | 16% | 0.158 | C | C | . | . | trans | -83.3 | 108.2 | -179.1 | -171.1 | 64.5 | -139 | 0 | 0 | 110.2 | R331 W334 R335 T383 A388 R389 | R331-E386 HydrophobicContact CB-CG 4.5Å; R331-E386 WeakPolarHBondContact CD-OE2 3.36Å; R331-E386 WeakPolarHBondContact CG-OE2 3.35Å; W334-E386 HydrophobicContact CB-CG 4.09Å; R335-E386 WeakPolarHBondContact CG-OE1 3.37Å; R335-E386 IonicContact CZ-OE1 3.97Å; R335-E386 IonicContact CZ-OE2 3.39Å; R335-E386 IonicContact NE-OE1 4Å; R335-E386 PolarHBondContact NE-OE1 3.46Å; R335-E386 IonicContact NE-OE2 2.62Å; R335-E386 IonicContact NH2-OE1 3.39Å; R335-E386 PolarHBondContact NH2-OE1 3.44Å; R335-E386 IonicContact NH2-OE2 2.67Å; R335-E386 PolarHBondContact NH2-OE2 3.41Å; T383-E386 WeakPolarHBondContact O-CB 3.3Å; T383-E386 PolarHBondContact O-N 3.18Å; T383-E386 VanDerWaalsContact O-N 3.09Å; E386-A388 HydrophobicContact CG-CB 4.36Å; E386-A388 PolarHBondContact O-N 3.17Å; E386-A388 VanDerWaalsContact O-N 3.15Å; E386-R389 HydrophobicContact CB-CB 4.45Å; E386-R389 VanDerWaalsContact O-CB 3.26Å; E386-R389 WeakPolarHBondContact O-CB 3.38Å; E386-R389 PolarHBondContact O-N 3.44Å | ||
| 387 | A | 82.6 | Confident | 87.4 | Confident | 43 Ų | 43 | 35.9 Ų | 35.9 | 36% | 0.355 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59 | -30.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | L11 V385 R389 S390 S391 | L11-A387 HydrophobicContact CD1-CB 4.47Å; V385-A387 PolarHBondContact O-N 2.65Å; A387-R389 VanDerWaalsContact C-N 3.28Å; A387-R389 PolarHBondContact O-N 2.96Å; A387-S390 PolarHBondContact O-N 3.18Å; A387-S391 WeakPolarHBondContact O-CB 3.5Å; A387-S391 PolarHBondContact O-N 3.29Å; A387-S391 PolarHBondContact O-OG 2.8Å |
| 388 | A | 88.1 | Confident | 87.1 | Confident | 28 Ų | 28 | 35.5 Ų | 35.5 | 23% | 0.231 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.2 | -36.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | W334 R335 E386 S391 L392 | W334-A388 WeakPolarHBondContact O-CB 3.33Å; R335-A388 HydrophobicContact CG-CB 4.11Å; E386-A388 HydrophobicContact CG-CB 4.36Å; E386-A388 PolarHBondContact O-N 3.17Å; E386-A388 VanDerWaalsContact O-N 3.15Å; A388-S391 PolarHBondContact O-N 3.01Å; A388-L392 WeakPolarHBondContact O-CB 3.32Å; A388-L392 PolarHBondContact O-N 2.78Å |
| 389 | R | 90.4 | Very high | 87 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 2% | 0.023 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.4 | -55.3 | 174.4 | 175.4 | -179 | 159.2 | -172.6 | -8.8 | 110.2 | W334 F380 T383 E386 A387 S391 L392 L393 | W334-R389 HydrophobicContact CB-CB 4Å; W334-R389 HydrophobicContact CD2-CB 3.69Å; W334-R389 HydrophobicContact CD2-CG 3.7Å; W334-R389 HydrophobicContact CE3-CB 3.91Å; W334-R389 HydrophobicContact CE3-CG 3.77Å; W334-R389 HydrophobicContact CG-CB 3.72Å; W334-R389 HydrophobicContact CG-CG 4.23Å; W334-R389 HydrophobicContact CH2-CG 4.24Å; W334-R389 HydrophobicContact CZ2-CG 4.19Å; W334-R389 HydrophobicContact CZ3-CG 4.04Å; F380-R389 PolarHBondContact O-NH1 2.56Å; T383-R389 VanDerWaalsContact C-NH1 3.29Å; T383-R389 PolarHBondContact OG1-NH1 3.27Å; E386-R389 HydrophobicContact CB-CB 4.45Å; E386-R389 VanDerWaalsContact O-CB 3.26Å; E386-R389 WeakPolarHBondContact O-CB 3.38Å; E386-R389 PolarHBondContact O-N 3.44Å; A387-R389 VanDerWaalsContact C-N 3.28Å; A387-R389 PolarHBondContact O-N 2.96Å; R389-S391 VanDerWaalsContact C-N 3.3Å; R389-S391 PolarHBondContact O-N 3.09Å; R389-L392 PolarHBondContact O-N 3.48Å; R389-L393 HydrophobicContact CG-CD1 3.48Å; R389-L393 VanDerWaalsContact CG-CD1 3.48Å; R389-L393 HydrophobicContact CG-CG 4.08Å; R389-L393 VanDerWaalsContact O-CB 3.23Å; R389-L393 WeakPolarHBondContact O-CB 3.47Å; R389-L393 WeakPolarHBondContact O-CG 3.37Å; R389-L393 PolarHBondContact O-N 3.3Å |
| 390 | S | 84.9 | Confident | 86.9 | Confident | 14 Ų | 14 | 38 Ų | 38 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.9 | -41.3 | 179.8 | -57.3 | 0 | 0 | 0 | 0 | 112.1 | L11 A387 L392 L393 F394 | L11-S390 VanDerWaalsContact CD1-CB 3.45Å; A387-S390 PolarHBondContact O-N 3.18Å; S390-L392 VanDerWaalsContact C-N 3.34Å; S390-L392 PolarHBondContact O-N 3.08Å; S390-L393 PolarHBondContact O-N 3.03Å; S390-F394 WeakPolarHBondContact O-CB 3.4Å; S390-F394 WeakPolarHBondContact O-CD2 3.27Å; S390-F394 WeakPolarHBondContact O-CG 3.4Å; S390-F394 PolarHBondContact O-N 3.11Å |
| 391 | S | 87.3 | Confident | 87 | Confident | 56 Ų | 56 | 37.8 Ų | 37.8 | 39% | 0.392 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.2 | -44.8 | 178.4 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | A387 A388 R389 A395 | A387-S391 WeakPolarHBondContact O-CB 3.5Å; A387-S391 PolarHBondContact O-N 3.29Å; A387-S391 PolarHBondContact O-OG 2.8Å; A388-S391 PolarHBondContact O-N 3.01Å; R389-S391 VanDerWaalsContact C-N 3.3Å; R389-S391 PolarHBondContact O-N 3.09Å; S391-A395 WeakPolarHBondContact O-CB 3.43Å; S391-A395 PolarHBondContact O-N 3.2Å |
| 392 | L | 91.1 | Very high | 87.3 | Confident | 40 Ų | 40 | 37.9 Ų | 37.9 | 21% | 0.209 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.1 | -45 | 178.2 | -176.8 | 62.3 | 0 | 0 | 0 | 112.4 | W334 F340 A388 R389 S390 L400 | W334-L392 HydrophobicContact CE3-CD2 4.32Å; F340-L392 HydrophobicContact CB-CD2 4.08Å; F340-L392 HydrophobicContact CD1-CD2 3.56Å; F340-L392 HydrophobicContact CD1-CG 4.12Å; F340-L392 HydrophobicContact CE1-CD2 4.43Å; F340-L392 HydrophobicContact CG-CD2 4.18Å; A388-L392 WeakPolarHBondContact O-CB 3.32Å; A388-L392 PolarHBondContact O-N 2.78Å; R389-L392 PolarHBondContact O-N 3.48Å; S390-L392 VanDerWaalsContact C-N 3.34Å; S390-L392 PolarHBondContact O-N 3.08Å; L392-L400 HydrophobicContact CD1-CD2 4.06Å; L392-L400 HydrophobicContact CG-CD2 4.22Å |
| 393 | L | 90.1 | Very high | 88 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.8 | -34.5 | -175.2 | -74.2 | -174.1 | 0 | 0 | 0 | 113.3 | W334 F340 F380 R389 S390 G398 I401 L448 | W334-L393 HydrophobicContact CH2-CD2 4.45Å; W334-L393 HydrophobicContact CZ3-CD2 4.12Å; W334-L393 HydrophobicContact CZ3-CG 4.4Å; F340-L393 HydrophobicContact CE1-CD2 3.74Å; F340-L393 HydrophobicContact CZ-CD2 3.81Å; F380-L393 HydrophobicContact CE1-CD1 3.67Å; F380-L393 HydrophobicContact CE1-CD2 4.09Å; F380-L393 HydrophobicContact CZ-CD1 4.39Å; F380-L393 HydrophobicContact CZ-CD2 3.98Å; R389-L393 HydrophobicContact CG-CD1 3.48Å; R389-L393 VanDerWaalsContact CG-CD1 3.48Å; R389-L393 HydrophobicContact CG-CG 4.08Å; R389-L393 VanDerWaalsContact O-CB 3.23Å; R389-L393 WeakPolarHBondContact O-CB 3.47Å; R389-L393 WeakPolarHBondContact O-CG 3.37Å; R389-L393 PolarHBondContact O-N 3.3Å; S390-L393 PolarHBondContact O-N 3.03Å; L393-G398 WeakPolarHBondContact O-CA 3.42Å; L393-I401 HydrophobicContact CB-CD1 3.62Å; L393-I401 HydrophobicContact CB-CG1 4.23Å; L393-I401 HydrophobicContact CD1-CD1 4.27Å; L393-I401 HydrophobicContact CD2-CD1 3.77Å; L393-I401 HydrophobicContact CD2-CG1 3.65Å; L393-I401 HydrophobicContact CG-CD1 4.05Å; L393-I401 HydrophobicContact CG-CG1 4.43Å; L393-I401 WeakPolarHBondContact O-CD1 3.5Å; L393-L448 HydrophobicContact CD1-CD1 4.49Å; L393-L448 HydrophobicContact CD1-CD2 3.78Å |
| 394 | F | 87.2 | Confident | 88.4 | Confident | 35 Ų | 35 | 42 Ų | 42 | 15% | 0.154 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -97.9 | -4.9 | -178.8 | -53 | -46.4 | 0 | 0 | 0 | 113.5 | S390 R397 L448 T452 V462 | S390-F394 WeakPolarHBondContact O-CB 3.4Å; S390-F394 WeakPolarHBondContact O-CD2 3.27Å; S390-F394 WeakPolarHBondContact O-CG 3.4Å; S390-F394 PolarHBondContact O-N 3.11Å; F394-R397 PolarHBondContact O-N 2.85Å; F394-L448 HydrophobicContact CZ-CD1 3.99Å; F394-T452 HydrophobicContact CE1-CG2 3.53Å; F394-T452 HydrophobicContact CE2-CG2 4.3Å; F394-T452 HydrophobicContact CZ-CG2 3.29Å; F394-V462 HydrophobicContact CD1-CB 4.13Å; F394-V462 HydrophobicContact CD1-CG2 3.61Å; F394-V462 HydrophobicContact CE1-CB 3.8Å; F394-V462 HydrophobicContact CE1-CG1 4.32Å; F394-V462 HydrophobicContact CE1-CG2 3.8Å |
| 395 | A | 87.4 | Confident | 89.2 | Confident | 45 Ų | 45 | 41 Ų | 41 | 37% | 0.372 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -53.5 | 143.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S391 R397 G398 | S391-A395 WeakPolarHBondContact O-CB 3.43Å; S391-A395 PolarHBondContact O-N 3.2Å; A395-R397 PolarHBondContact O-N 2.9Å; A395-R397 VanDerWaalsContact O-N 3.11Å; A395-G398 PolarHBondContact O-N 3.48Å |
| 396 | N | 87.1 | Confident | 89.9 | Confident | 145 Ų | 145 | 42.4 Ų | 42.4 | 78% | 0.775 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | 49.2 | 40.3 | 178.4 | -60.5 | -27.3 | 0 | 0 | 0 | 113.3 | G398 A399 | N396-G398 VanDerWaalsContact C-N 3.27Å; N396-G398 PolarHBondContact O-N 3Å; N396-A399 HydrophobicContact CB-CB 3.99Å; N396-A399 PolarHBondContact O-N 2.84Å |
| 397 | R | 84.6 | Confident | 90.2 | Very high | 203 Ų | 203 | 41.6 Ų | 41.6 | 77% | 0.766 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | 58.9 | 34.4 | -178.2 | -52.4 | -174 | 173 | -173.8 | -2.1 | 113.8 | F394 A395 F461 | F394-R397 PolarHBondContact O-N 2.85Å; A395-R397 PolarHBondContact O-N 2.9Å; A395-R397 VanDerWaalsContact O-N 3.11Å; R397-F461 HydrophobicContact CB-CE1 4.36Å; R397-F461 HydrophobicContact CG-CE1 4.09Å |
| 398 | G | 88.6 | Confident | 90.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | 82.1 | 20.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L393 A395 N396 L400 I401 S402 | L393-G398 WeakPolarHBondContact O-CA 3.42Å; A395-G398 PolarHBondContact O-N 3.48Å; N396-G398 VanDerWaalsContact C-N 3.27Å; N396-G398 PolarHBondContact O-N 3Å; G398-L400 VanDerWaalsContact C-N 3.27Å; G398-L400 PolarHBondContact O-N 3.37Å; G398-I401 PolarHBondContact O-N 3.42Å; G398-S402 PolarHBondContact O-N 3.41Å; G398-S402 PolarHBondContact O-OG 3.33Å |
| 399 | A | 91.9 | Very high | 90.9 | Very high | 44 Ų | 44 | 38.2 Ų | 38.2 | 36% | 0.364 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -52.4 | -41.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N396 S402 R403 | N396-A399 HydrophobicContact CB-CB 3.99Å; N396-A399 PolarHBondContact O-N 2.84Å; A399-S402 PolarHBondContact O-N 3.38Å; A399-R403 WeakPolarHBondContact O-CG 3.23Å; A399-R403 PolarHBondContact O-N 2.88Å |
| 400 | L | 93.4 | Very high | 90.7 | Very high | 22 Ų | 22 | 38 Ų | 38 | 12% | 0.115 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.5 | -35.9 | 179 | -173 | 60 | 0 | 0 | 0 | 112.6 | F340 V341 V344 L392 G398 R403 L404 | F340-L400 HydrophobicContact CD1-CD2 3.45Å; F340-L400 VanDerWaalsContact CD1-CD2 3.45Å; F340-L400 HydrophobicContact CD1-CG 4.21Å; F340-L400 HydrophobicContact CE1-CD2 3.38Å; F340-L400 HydrophobicContact CE1-CG 3.69Å; V341-L400 HydrophobicContact CG2-CD2 3.79Å; V344-L400 HydrophobicContact CB-CD1 4.11Å; V344-L400 HydrophobicContact CG1-CD1 3.98Å; V344-L400 HydrophobicContact CG2-CD1 4.17Å; L392-L400 HydrophobicContact CD1-CD2 4.06Å; L392-L400 HydrophobicContact CG-CD2 4.22Å; G398-L400 VanDerWaalsContact C-N 3.27Å; G398-L400 PolarHBondContact O-N 3.37Å; L400-R403 PolarHBondContact O-N 3.41Å; L400-L404 PolarHBondContact O-N 2.98Å |
| 401 | I | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.5 | -42.6 | 171.4 | -70.4 | -178 | 0 | 0 | 0 | 110.2 | L393 G398 R403 L404 L405 L448 V462 W466 | L393-I401 HydrophobicContact CB-CD1 3.62Å; L393-I401 HydrophobicContact CB-CG1 4.23Å; L393-I401 HydrophobicContact CD1-CD1 4.27Å; L393-I401 HydrophobicContact CD2-CD1 3.77Å; L393-I401 HydrophobicContact CD2-CG1 3.65Å; L393-I401 HydrophobicContact CG-CD1 4.05Å; L393-I401 HydrophobicContact CG-CG1 4.43Å; L393-I401 WeakPolarHBondContact O-CD1 3.5Å; G398-I401 PolarHBondContact O-N 3.42Å; I401-R403 VanDerWaalsContact C-N 3.3Å; I401-R403 PolarHBondContact O-N 3.25Å; I401-L404 PolarHBondContact O-N 3.34Å; I401-L405 HydrophobicContact CG2-CD1 3.74Å; I401-L405 HydrophobicContact CG2-CG 4.06Å; I401-L405 WeakPolarHBondContact O-CB 3.38Å; I401-L405 VanDerWaalsContact O-CG 3.29Å; I401-L405 WeakPolarHBondContact O-CG 3.22Å; I401-L405 PolarHBondContact O-N 2.91Å; I401-L448 HydrophobicContact CD1-CD2 3.84Å; I401-V462 HydrophobicContact CD1-CG1 3.8Å; I401-V462 HydrophobicContact CD1-CG2 4.2Å; I401-V462 HydrophobicContact CG2-CG1 4.33Å; I401-W466 HydrophobicContact CB-CH2 4.4Å; I401-W466 HydrophobicContact CG2-CH2 4.17Å; I401-W466 HydrophobicContact CG2-CZ3 3.83Å |
| 402 | S | 94 | Very high | 90.3 | Very high | 26 Ų | 26 | 37.1 Ų | 37.1 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60 | -43.8 | 178.2 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | G398 A399 L405 L406 W466 | G398-S402 PolarHBondContact O-N 3.41Å; G398-S402 PolarHBondContact O-OG 3.33Å; A399-S402 PolarHBondContact O-N 3.38Å; S402-L405 PolarHBondContact O-N 2.83Å; S402-L406 VanDerWaalsContact O-CG 3.3Å; S402-L406 WeakPolarHBondContact O-CG 3.25Å; S402-L406 PolarHBondContact O-N 3.48Å; S402-W466 WeakPolarHBondContact OG-CH2 3.22Å; S402-W466 VanDerWaalsContact OG-CZ2 3.26Å; S402-W466 WeakPolarHBondContact OG-CZ2 3.3Å |
| 403 | R | 94.9 | Very high | 89.3 | Confident | 95 Ų | 95 | 36.5 Ų | 36.5 | 36% | 0.358 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56.3 | -53.1 | 172.4 | -82.3 | -179.4 | 67.5 | -168.2 | 4.1 | 112.2 | V344 E348 A399 L400 I401 L405 L406 A407 | V344-R403 HydrophobicContact CG1-CB 4.09Å; E348-R403 WeakPolarHBondContact OE1-CB 3.48Å; E348-R403 WeakPolarHBondContact OE1-CG 3.44Å; E348-R403 IonicContact OE1-CZ 3.7Å; E348-R403 IonicContact OE1-NE 2.87Å; E348-R403 PolarHBondContact OE1-NE 2.92Å; E348-R403 IonicContact OE1-NH2 3.71Å; E348-R403 IonicContact OE2-CZ 3.39Å; E348-R403 IonicContact OE2-NE 3.33Å; E348-R403 PolarHBondContact OE2-NE 2.88Å; E348-R403 IonicContact OE2-NH2 2.65Å; E348-R403 PolarHBondContact OE2-NH2 2.74Å; A399-R403 WeakPolarHBondContact O-CG 3.23Å; A399-R403 PolarHBondContact O-N 2.88Å; L400-R403 PolarHBondContact O-N 3.41Å; I401-R403 VanDerWaalsContact C-N 3.3Å; I401-R403 PolarHBondContact O-N 3.25Å; R403-L405 PolarHBondContact O-N 2.84Å; R403-L406 PolarHBondContact O-N 3.01Å; R403-A407 WeakPolarHBondContact O-CB 3.3Å; R403-A407 PolarHBondContact O-N 2.95Å |
| 404 | L | 96 | Very high | 87.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.3 | -49.8 | 176.2 | 175.3 | 59.9 | 0 | 0 | 0 | 112 | F340 V344 L347 L376 F380 L400 I401 L406 A407 F408 L441 L445 | F340-L404 HydrophobicContact CE2-CD2 4.11Å; F340-L404 HydrophobicContact CZ-CD2 4.03Å; V344-L404 HydrophobicContact CG1-CB 4.26Å; V344-L404 HydrophobicContact CG2-CB 4.06Å; V344-L404 HydrophobicContact CG2-CD1 4.19Å; L347-L404 HydrophobicContact CD2-CD1 4.09Å; L376-L404 HydrophobicContact CD1-CD1 3.66Å; L376-L404 HydrophobicContact CD1-CD2 4.35Å; F380-L404 HydrophobicContact CE2-CD2 4.2Å; F380-L404 HydrophobicContact CZ-CD2 4.39Å; L400-L404 PolarHBondContact O-N 2.98Å; I401-L404 PolarHBondContact O-N 3.34Å; L404-L406 VanDerWaalsContact C-N 3.3Å; L404-L406 PolarHBondContact O-N 3.37Å; L404-A407 PolarHBondContact O-N 2.88Å; L404-A407 VanDerWaalsContact O-N 3.11Å; L404-F408 HydrophobicContact CD1-CD1 3.88Å; L404-F408 HydrophobicContact CG-CD1 3.98Å; L404-F408 HydrophobicContact CG-CE1 4.18Å; L404-F408 WeakPolarHBondContact O-CD1 3.47Å; L404-F408 PolarHBondContact O-N 3.48Å; L404-L441 HydrophobicContact CD1-CD2 4.18Å; L404-L441 HydrophobicContact CD2-CD2 4.5Å; L404-L445 HydrophobicContact CD2-CD1 4.29Å |
| 405 | L | 95.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.1 | -43.8 | -179.9 | -77.4 | 171.2 | 0 | 0 | 0 | 112 | I401 S402 R403 F408 I409 L442 L445 W466 I467 V470 L471 | I401-L405 HydrophobicContact CG2-CD1 3.74Å; I401-L405 HydrophobicContact CG2-CG 4.06Å; I401-L405 WeakPolarHBondContact O-CB 3.38Å; I401-L405 VanDerWaalsContact O-CG 3.29Å; I401-L405 WeakPolarHBondContact O-CG 3.22Å; I401-L405 PolarHBondContact O-N 2.91Å; S402-L405 PolarHBondContact O-N 2.83Å; R403-L405 PolarHBondContact O-N 2.84Å; L405-F408 HydrophobicContact CD2-CE1 4.09Å; L405-F408 HydrophobicContact CD2-CZ 4.11Å; L405-I409 WeakPolarHBondContact O-CG1 3.25Å; L405-L442 HydrophobicContact CD2-CD1 3.96Å; L405-L445 HydrophobicContact CD2-CD1 3.64Å; L405-L445 HydrophobicContact CG-CD1 4.34Å; L405-W466 HydrophobicContact CD1-CZ3 4.04Å; L405-I467 HydrophobicContact CD1-CB 4.38Å; L405-I467 HydrophobicContact CD1-CG1 4.38Å; L405-I467 HydrophobicContact CD1-CG2 3.95Å; L405-I467 HydrophobicContact CD2-CG2 3.8Å; L405-V470 HydrophobicContact CB-CG1 4.23Å; L405-V470 HydrophobicContact CD1-CB 4.21Å; L405-V470 HydrophobicContact CD1-CG1 4.03Å; L405-L471 HydrophobicContact CB-CD2 3.79Å; L405-L471 HydrophobicContact CB-CG 4.35Å; L405-L471 HydrophobicContact CD2-CD1 4.24Å; L405-L471 HydrophobicContact CD2-CD2 4.41Å; L405-L471 HydrophobicContact CD2-CG 4.38Å; L405-L471 WeakPolarHBondContact O-CD2 3.43Å |
| 406 | L | 93.1 | Very high | 84.2 | Confident | 66 Ų | 66 | 44.9 Ų | 44.9 | 35% | 0.346 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -74.5 | -28.6 | 178.8 | -65.4 | 171.9 | 0 | 0 | 0 | 112.4 | S402 R403 L404 V470 H474 | S402-L406 VanDerWaalsContact O-CG 3.3Å; S402-L406 WeakPolarHBondContact O-CG 3.25Å; S402-L406 PolarHBondContact O-N 3.48Å; R403-L406 PolarHBondContact O-N 3.01Å; L404-L406 VanDerWaalsContact C-N 3.3Å; L404-L406 PolarHBondContact O-N 3.37Å; L406-V470 HydrophobicContact CD2-CG1 4.49Å; L406-V470 HydrophobicContact CG-CG1 4.3Å; L406-H474 HydrophobicContact CD2-CB 4.28Å; L406-H474 PolarHBondContact O-NE2 3.08Å |
| 407 | A | 92.4 | Very high | 82.1 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.2 | -43.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L347 E348 L351 R403 L404 | L347-A407 HydrophobicContact CD2-CB 4.39Å; L347-A407 HydrophobicContact CG-CB 4.34Å; E348-A407 HydrophobicContact CB-CB 4.5Å; E348-A407 HydrophobicContact CG-CB 3.55Å; L351-A407 VanDerWaalsContact CD1-O 3.3Å; L351-A407 WeakPolarHBondContact CD1-O 3.39Å; R403-A407 WeakPolarHBondContact O-CB 3.3Å; R403-A407 PolarHBondContact O-N 2.95Å; L404-A407 PolarHBondContact O-N 2.88Å; L404-A407 VanDerWaalsContact O-N 3.11Å |
| 408 | F | 92.9 | Very high | 80.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -90 | -8.2 | -168.2 | 76 | -108.3 | 0 | 0 | 0 | 115.1 | L347 V373 L404 L405 C410 Y434 A438 L441 L442 L445 | L347-F408 HydrophobicContact CD2-CB 3.73Å; V373-F408 HydrophobicContact CG2-CB 4.1Å; L404-F408 HydrophobicContact CD1-CD1 3.88Å; L404-F408 HydrophobicContact CG-CD1 3.98Å; L404-F408 HydrophobicContact CG-CE1 4.18Å; L404-F408 WeakPolarHBondContact O-CD1 3.47Å; L404-F408 PolarHBondContact O-N 3.48Å; L405-F408 HydrophobicContact CD2-CE1 4.09Å; L405-F408 HydrophobicContact CD2-CZ 4.11Å; F408-C410 PolarHBondContact O-N 3.34Å; F408-Y434 VanDerWaalsContact C-OH 3.25Å; F408-Y434 WeakPolarHBondContact CA-OH 3.39Å; F408-Y434 WeakPolarHBondContact O-CE1 3.26Å; F408-Y434 PolarHBondContact O-OH 3.45Å; F408-A438 HydrophobicContact CD2-CB 3.83Å; F408-A438 HydrophobicContact CE2-CB 4.37Å; F408-L441 HydrophobicContact CD1-CD2 3.81Å; F408-L441 HydrophobicContact CE1-CD2 4Å; F408-L441 HydrophobicContact CE1-CG 4.25Å; F408-L441 HydrophobicContact CG-CD2 4.28Å; F408-L442 HydrophobicContact CE2-CB 3.94Å; F408-L442 HydrophobicContact CZ-CB 3.89Å; F408-L442 HydrophobicContact CZ-CD1 4.11Å; F408-L442 HydrophobicContact CZ-CG 4.5Å; F408-L445 HydrophobicContact CE1-CD1 3.67Å; F408-L445 HydrophobicContact CZ-CD1 4.01Å |
| 409 | I | 91.3 | Very high | 78.2 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -80.9 | 118.8 | 176.7 | -62.2 | -63.4 | 0 | 0 | 0 | 109.5 | L405 L442 L471 H474 H476 F480 | L405-I409 WeakPolarHBondContact O-CG1 3.25Å; I409-L442 HydrophobicContact CD1-CD2 4.45Å; I409-L471 HydrophobicContact CG1-CD2 3.76Å; I409-H474 PolarHBondContact O-CE1 3.42Å; I409-H476 HydrophobicContact CG2-CB 4.24Å; I409-F480 HydrophobicContact CD1-CD1 3.96Å; I409-F480 HydrophobicContact CD1-CD2 4.35Å; I409-F480 HydrophobicContact CD1-CE1 3.93Å; I409-F480 HydrophobicContact CD1-CE2 4.34Å; I409-F480 HydrophobicContact CD1-CG 4.18Å; I409-F480 HydrophobicContact CD1-CZ 4.13Å; I409-F480 HydrophobicContact CG2-CB 4.15Å; I409-F480 HydrophobicContact CG2-CG 4.36Å | ||
| 410 | C | 86.2 | Confident | 76.4 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | trans | -120.3 | 161 | -176.6 | -67.3 | 0 | 0 | 0 | 0 | 112.5 | Y361 F408 P412 Y434 | Y361-C410 WeakPolarHBondContact OH-CB 3.48Å; F408-C410 PolarHBondContact O-N 3.34Å; C410-P412 WeakPolarHBondContact O-CD 3.22Å; C410-Y434 HydrophobicContact CB-CD1 4.31Å; C410-Y434 HydrophobicContact CB-CE1 3.73Å; C410-Y434 WeakPolarHBondContact SG-CE1 3.45Å | ||
| 411 | D | 85.5 | Confident | 74.9 | Confident | 34 Ų | 34 | 54.6 Ų | 54.6 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | trans | -70.7 | 118.3 | 172.5 | -163.7 | -9.3 | 0 | 0 | 0 | 111.2 | Y361 G413 H476 | Y361-D411 PolarHBondContact OH-N 3.35Å; D411-G413 PolarHBondContact O-N 3.23Å; D411-G413 PolarHBondContact OD1-N 2.92Å; D411-H476 WeakPolarHBondContact CB-ND1 3.46Å; D411-H476 IonicContact OD2-CE1 3.61Å; D411-H476 IonicContact OD2-ND1 3.69Å | ||
| 412 | P | 79.1 | Confident | 73.4 | Confident | 18 Ų | 18 | 58.6 Ų | 58.6 | 12% | 0.117 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -12.1 | 172.5 | 31.1 | -36.3 | 0 | 0 | 0 | 113.7 | C410 L435 P479 H483 | C410-P412 WeakPolarHBondContact O-CD 3.22Å; P412-L435 HydrophobicContact CB-CD1 3.67Å; P412-L435 HydrophobicContact CB-CD2 4.46Å; P412-P479 HydrophobicContact CG-CB 3.76Å; P412-P479 WeakPolarHBondContact CG-O 3.47Å; P412-H483 HydrophobicContact CB-CB 3.78Å; P412-H483 HydrophobicContact CG-CB 3.92Å |
| 413 | G | 69.4 | Low | 71.8 | Confident | 28 Ų | 28 | 61.4 Ų | 61.4 | 29% | 0.289 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 21.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | D411 E415 K416 | D411-G413 PolarHBondContact O-N 3.23Å; D411-G413 PolarHBondContact OD1-N 2.92Å; G413-E415 PolarHBondContact O-N 3.44Å; G413-K416 PolarHBondContact O-N 3.45Å |
| 414 | G | 56.3 | Low | 70.7 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 12% | 0.124 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.4 | -24.2 | -169 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 415 | E | 54 | Low | 69.9 | Low | 50 Ų | 50 | 62.2 Ų | 62.2 | 23% | 0.234 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -142.1 | 69.1 | 177.8 | -69.8 | -172.2 | 139.8 | 0 | 0 | 113.4 | G413 Q417 | G413-E415 PolarHBondContact O-N 3.44Å; E415-Q417 VanDerWaalsContact C-N 3.25Å |
| 416 | K | 48.4 | Very low | 69.4 | Low | 194 Ų | 194 | 67.9 Ų | 67.9 | 84% | 0.843 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -82.4 | 5 | 163.8 | -77.3 | -169.5 | 176.5 | -175.4 | 0 | 114.3 | G413 | G413-K416 PolarHBondContact O-N 3.45Š|
| 417 | Q | 43.5 | Very low | 69.1 | Low | 172 Ų | 172 | 65.9 Ų | 65.9 | 80% | 0.804 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -127.9 | 1.1 | -168.7 | -79.7 | 176.9 | -9.1 | 0 | 0 | 117.4 | E415 | E415-Q417 VanDerWaalsContact C-N 3.25Š|
| 418 | S | 43.3 | Very low | 68.8 | Low | 63 Ų | 63 | 69.5 Ų | 69.5 | 44% | 0.441 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -118.2 | 136.3 | 170.1 | 44.8 | 0 | 0 | 0 | 0 | 111.6 | G420 | S418-G420 PolarHBondContact O-N 3.24Š|
| 419 | R | 47.1 | Very low | 68.7 | Low | 249 Ų | 249 | 72.4 Ų | 72.4 | 94% | 0.94 | 42% | 0.417 | S | S | * | . | trans | -76.4 | 114.2 | -175 | -84.6 | 169.2 | 152.8 | 171.7 | -7.7 | 111.1 | S421 | R419-S421 PolarHBondContact O-N 2.9Š| ||
| 420 | G | 54.4 | Low | 68.8 | Low | 83 Ų | 83 | 73.4 Ų | 73.4 | 86% | 0.856 | 42% | 0.423 | S | S | * | . | trans | 58.3 | 40.9 | 132.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | S418 | S418-G420 PolarHBondContact O-N 3.24Š| ||
| 421 | S | 61.8 | Low | 69.1 | Low | 51 Ų | 51 | 73.5 Ų | 73.5 | 36% | 0.357 | 42% | 0.423 | S | S | . | . | trans | -94.5 | 155.9 | 168.8 | 102.5 | 0 | 0 | 0 | 0 | 111.9 | R419 S423 D424 | R419-S421 PolarHBondContact O-N 2.9Å; S421-S423 VanDerWaalsContact C-N 3.28Å; S421-S423 PolarHBondContact O-N 3.34Å; S421-S423 PolarHBondContact OG-N 2.99Å; S421-D424 PolarHBondContact N-OD2 3.17Å; S421-D424 WeakPolarHBondContact O-CB 3.2Å; S421-D424 PolarHBondContact O-N 3.3Å; S421-D424 PolarHBondContact OG-N 2.91Å; S421-D424 PolarHBondContact OG-OD1 2.92Å; S421-D424 PolarHBondContact OG-OD2 3.04Å | ||
| 422 | A | 61.3 | Low | 69.4 | Low | 83 Ų | 83 | 73.5 Ų | 73.5 | 69% | 0.686 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65.6 | -32.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D424 S425 E426 | A422-D424 VanDerWaalsContact C-N 3.3Å; A422-D424 PolarHBondContact O-N 2.94Å; A422-S425 WeakPolarHBondContact O-CB 3.43Å; A422-S425 PolarHBondContact O-N 3.4Å; A422-S425 PolarHBondContact O-OG 3.45Å; A422-E426 PolarHBondContact O-N 2.84Å |
| 423 | S | 61.9 | Low | 70.2 | Confident | 85 Ų | 85 | 77.1 Ų | 77.1 | 59% | 0.594 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.3 | -33 | 176.4 | -52.4 | 0 | 0 | 0 | 0 | 112.3 | S421 S425 E426 L427 | S421-S423 VanDerWaalsContact C-N 3.28Å; S421-S423 PolarHBondContact O-N 3.34Å; S421-S423 PolarHBondContact OG-N 2.99Å; S423-S425 PolarHBondContact O-N 3.2Å; S423-E426 PolarHBondContact O-N 3.24Å; S423-L427 PolarHBondContact O-N 3.44Å; S423-L427 VanDerWaalsContact O-N 3.08Å |
| 424 | D | 71.3 | Confident | 71.4 | Confident | 34 Ų | 34 | 75.8 Ų | 75.8 | 18% | 0.182 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.4 | -32.6 | 176.5 | -51.3 | -6.3 | 0 | 0 | 0 | 110.5 | S421 A422 Q428 | S421-D424 PolarHBondContact N-OD2 3.17Å; S421-D424 WeakPolarHBondContact O-CB 3.2Å; S421-D424 PolarHBondContact O-N 3.3Å; S421-D424 PolarHBondContact OG-N 2.91Å; S421-D424 PolarHBondContact OG-OD1 2.92Å; S421-D424 PolarHBondContact OG-OD2 3.04Å; A422-D424 VanDerWaalsContact C-N 3.3Å; A422-D424 PolarHBondContact O-N 2.94Å; D424-Q428 VanDerWaalsContact O-CB 3.24Å; D424-Q428 WeakPolarHBondContact O-CB 3.19Å; D424-Q428 PolarHBondContact O-N 3.02Å |
| 425 | S | 79.4 | Confident | 73.3 | Confident | 78 Ų | 78 | 75.2 Ų | 75.2 | 55% | 0.545 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -72.2 | -36.9 | 179 | 76.4 | 0 | 0 | 0 | 0 | 113.3 | A422 S423 A429 | A422-S425 WeakPolarHBondContact O-CB 3.43Å; A422-S425 PolarHBondContact O-N 3.4Å; A422-S425 PolarHBondContact O-OG 3.45Å; S423-S425 PolarHBondContact O-N 3.2Å; S425-A429 PolarHBondContact O-N 3.32Å; S425-A429 VanDerWaalsContact O-N 3.08Å |
| 426 | E | 85.8 | Confident | 75.4 | Confident | 120 Ų | 120 | 74.5 Ų | 74.5 | 56% | 0.561 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -70 | -44.9 | 175.8 | -176.3 | 176.6 | -173.6 | 0 | 0 | 110.8 | A422 S423 Q428 A429 L430 | A422-E426 PolarHBondContact O-N 2.84Å; S423-E426 PolarHBondContact O-N 3.24Å; E426-Q428 VanDerWaalsContact C-N 3.31Å; E426-Q428 PolarHBondContact O-N 3.22Å; E426-A429 WeakPolarHBondContact O-CB 3.16Å; E426-A429 PolarHBondContact O-N 3.09Å; E426-A429 VanDerWaalsContact O-N 3.14Å; E426-L430 WeakPolarHBondContact O-CG 3.22Å; E426-L430 PolarHBondContact O-N 3.38Å |
| 427 | L | 85.9 | Confident | 77.7 | Confident | 24 Ų | 24 | 65.4 Ų | 65.4 | 13% | 0.126 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 176.9 | -171.9 | 68.3 | 0 | 0 | 0 | 111.6 | V360 Y361 L366 S423 A429 L430 L431 | V360-L427 HydrophobicContact CG1-CD2 4.28Å; Y361-L427 WeakPolarHBondContact O-CD1 3.38Å; L366-L427 HydrophobicContact CD1-CD1 3.63Å; L366-L427 HydrophobicContact CD1-CG 4.36Å; S423-L427 PolarHBondContact O-N 3.44Å; S423-L427 VanDerWaalsContact O-N 3.08Å; L427-A429 VanDerWaalsContact C-N 3.32Å; L427-A429 PolarHBondContact O-N 3.4Å; L427-L430 PolarHBondContact O-N 3.1Å; L427-L431 WeakPolarHBondContact O-CB 3.44Å; L427-L431 PolarHBondContact O-N 3.39Å |
| 428 | Q | 86.8 | Confident | 80.2 | Confident | 80 Ų | 80 | 57.2 Ų | 57.2 | 37% | 0.374 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.2 | -35 | 176.1 | -170.5 | 63 | 24.3 | 0 | 0 | 112.4 | D424 E426 L431 S432 | D424-Q428 VanDerWaalsContact O-CB 3.24Å; D424-Q428 WeakPolarHBondContact O-CB 3.19Å; D424-Q428 PolarHBondContact O-N 3.02Å; E426-Q428 VanDerWaalsContact C-N 3.31Å; E426-Q428 PolarHBondContact O-N 3.22Å; Q428-L431 PolarHBondContact O-N 2.86Å; Q428-S432 PolarHBondContact O-N 2.9Å |
| 429 | A | 90.7 | Very high | 82.8 | Confident | 61 Ų | 61 | 54.2 Ų | 54.2 | 50% | 0.504 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | S425 E426 L427 L431 S432 E433 | S425-A429 PolarHBondContact O-N 3.32Å; S425-A429 VanDerWaalsContact O-N 3.08Å; E426-A429 WeakPolarHBondContact O-CB 3.16Å; E426-A429 PolarHBondContact O-N 3.09Å; E426-A429 VanDerWaalsContact O-N 3.14Å; L427-A429 VanDerWaalsContact C-N 3.32Å; L427-A429 PolarHBondContact O-N 3.4Å; A429-L431 PolarHBondContact O-N 2.98Å; A429-S432 WeakPolarHBondContact O-CB 3.47Å; A429-S432 PolarHBondContact O-N 3Å; A429-E433 PolarHBondContact O-N 2.85Å |
| 430 | L | 92.3 | Very high | 85.1 | Confident | 21 Ų | 21 | 43.5 Ų | 43.5 | 11% | 0.11 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 175.2 | -69.9 | 174.2 | 0 | 0 | 0 | 112.2 | T363 L366 L367 E426 L427 S432 E433 Y434 | T363-L430 HydrophobicContact CG2-CD1 3.42Å; T363-L430 VanDerWaalsContact CG2-CD1 3.42Å; L366-L430 HydrophobicContact CB-CB 4.27Å; L366-L430 HydrophobicContact CD1-CB 3.98Å; L367-L430 HydrophobicContact CD2-CD2 3.65Å; L367-L430 HydrophobicContact CG-CD1 4.47Å; L367-L430 HydrophobicContact CG-CD2 4.31Å; E426-L430 WeakPolarHBondContact O-CG 3.22Å; E426-L430 PolarHBondContact O-N 3.38Å; L427-L430 PolarHBondContact O-N 3.1Å; L430-S432 VanDerWaalsContact C-N 3.31Å; L430-S432 PolarHBondContact O-N 3.34Å; L430-E433 PolarHBondContact O-N 2.94Å; L430-Y434 WeakPolarHBondContact O-CB 3.35Å; L430-Y434 PolarHBondContact O-N 3.09Å |
| 431 | L | 92.2 | Very high | 87.2 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 174.8 | -179.8 | 60.6 | 0 | 0 | 0 | 110.9 | Y361 L366 L427 Q428 A429 Y434 L435 | Y361-L431 HydrophobicContact CD2-CD1 4.31Å; Y361-L431 HydrophobicContact CE2-CD1 4.16Å; L366-L431 HydrophobicContact CD1-CB 4.16Å; L366-L431 HydrophobicContact CD2-CD1 4.22Å; L427-L431 WeakPolarHBondContact O-CB 3.44Å; L427-L431 PolarHBondContact O-N 3.39Å; Q428-L431 PolarHBondContact O-N 2.86Å; A429-L431 PolarHBondContact O-N 2.98Å; L431-Y434 WeakPolarHBondContact O-CB 3.4Å; L431-Y434 PolarHBondContact O-N 3.2Å; L431-L435 HydrophobicContact CD1-CD1 4.42Å; L431-L435 HydrophobicContact CD1-CG 4.37Å; L431-L435 HydrophobicContact CG-CD1 4.1Å; L431-L435 WeakPolarHBondContact O-CD1 3.38Å; L431-L435 WeakPolarHBondContact O-CG 3.45Å; L431-L435 PolarHBondContact O-N 3.44Å |
| 432 | S | 93 | Very high | 88.9 | Confident | 34 Ų | 34 | 37.1 Ų | 37.1 | 24% | 0.238 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 174.2 | -166.1 | 0 | 0 | 0 | 0 | 111.8 | Q428 A429 L430 Y434 L435 D436 | Q428-S432 PolarHBondContact O-N 2.9Å; A429-S432 WeakPolarHBondContact O-CB 3.47Å; A429-S432 PolarHBondContact O-N 3Å; L430-S432 VanDerWaalsContact C-N 3.31Å; L430-S432 PolarHBondContact O-N 3.34Å; S432-Y434 VanDerWaalsContact C-N 3.32Å; S432-Y434 PolarHBondContact O-N 3.35Å; S432-L435 PolarHBondContact O-N 2.94Å; S432-D436 PolarHBondContact O-N 2.99Å |
| 433 | E | 95.1 | Very high | 90.4 | Very high | 94 Ų | 94 | 33.3 Ų | 33.3 | 44% | 0.439 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.3 | -41.2 | 176.5 | -170.3 | -178.4 | 165.6 | 0 | 0 | 111.6 | T370 Q374 A429 L430 D436 A437 | T370-E433 HydrophobicContact CG2-CG 4.09Å; Q374-E433 PolarHBondContact NE2-OE1 2.91Å; A429-E433 PolarHBondContact O-N 2.85Å; L430-E433 PolarHBondContact O-N 2.94Å; E433-D436 PolarHBondContact O-N 3.28Å; E433-A437 PolarHBondContact O-N 3.19Å |
| 434 | Y | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.9 | -47.5 | 174.7 | 176 | -93.4 | 0 | 0 | 0 | 111.7 | L351 L366 T370 V373 F408 C410 L430 L431 S432 D436 A437 A438 | L351-Y434 HydrophobicContact CD1-CE2 4.33Å; L351-Y434 WeakPolarHBondContact CD1-OH 3.34Å; L366-Y434 HydrophobicContact CD2-CG 4.33Å; T370-Y434 WeakPolarHBondContact OG1-CA 3.17Å; T370-Y434 WeakPolarHBondContact OG1-CB 3.4Å; V373-Y434 HydrophobicContact CG2-CE2 3.97Å; F408-Y434 VanDerWaalsContact C-OH 3.25Å; F408-Y434 WeakPolarHBondContact CA-OH 3.39Å; F408-Y434 WeakPolarHBondContact O-CE1 3.26Å; F408-Y434 PolarHBondContact O-OH 3.45Å; C410-Y434 HydrophobicContact CB-CD1 4.31Å; C410-Y434 HydrophobicContact CB-CE1 3.73Å; C410-Y434 WeakPolarHBondContact SG-CE1 3.45Å; L430-Y434 WeakPolarHBondContact O-CB 3.35Å; L430-Y434 PolarHBondContact O-N 3.09Å; L431-Y434 WeakPolarHBondContact O-CB 3.4Å; L431-Y434 PolarHBondContact O-N 3.2Å; S432-Y434 VanDerWaalsContact C-N 3.32Å; S432-Y434 PolarHBondContact O-N 3.35Å; Y434-D436 PolarHBondContact O-N 3.13Å; Y434-A437 WeakPolarHBondContact O-CB 3.48Å; Y434-A437 PolarHBondContact O-N 2.93Å; Y434-A438 HydrophobicContact CE1-CB 4.31Å; Y434-A438 WeakPolarHBondContact O-CB 3.43Å; Y434-A438 PolarHBondContact O-N 2.99Å |
| 435 | L | 96 | Very high | 93 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63 | -32 | 179.4 | -69 | 166.1 | 0 | 0 | 0 | 112 | P412 L431 S432 C439 F480 Q484 | P412-L435 HydrophobicContact CB-CD1 3.67Å; P412-L435 HydrophobicContact CB-CD2 4.46Å; L431-L435 HydrophobicContact CD1-CD1 4.42Å; L431-L435 HydrophobicContact CD1-CG 4.37Å; L431-L435 HydrophobicContact CG-CD1 4.1Å; L431-L435 WeakPolarHBondContact O-CD1 3.38Å; L431-L435 WeakPolarHBondContact O-CG 3.45Å; L431-L435 PolarHBondContact O-N 3.44Å; S432-L435 PolarHBondContact O-N 2.94Å; L435-C439 WeakPolarHBondContact O-CB 3.39Å; L435-C439 PolarHBondContact O-N 3.42Å; L435-F480 HydrophobicContact CD2-CD2 3.64Å; L435-F480 HydrophobicContact CD2-CE2 3.87Å; L435-Q484 PolarHBondContact O-NE2 3.41Å |
| 436 | D | 96.6 | Very high | 93.6 | Very high | 34 Ų | 34 | 24.4 Ų | 24.4 | 18% | 0.182 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -72.4 | -40.9 | 175.9 | -70.1 | -5.6 | 0 | 0 | 0 | 111.8 | S432 E433 Y434 C439 S440 L507 R511 | S432-D436 PolarHBondContact O-N 2.99Å; E433-D436 PolarHBondContact O-N 3.28Å; Y434-D436 PolarHBondContact O-N 3.13Å; D436-C439 PolarHBondContact O-N 2.81Å; D436-S440 PolarHBondContact O-N 2.9Å; D436-S440 PolarHBondContact O-OG 2.82Å; D436-L507 HydrophobicContact CB-CD1 4.04Å; D436-L507 HydrophobicContact CB-CD2 3.79Å; D436-L507 VanDerWaalsContact OD2-CD2 3.27Å; D436-L507 WeakPolarHBondContact OD2-CD2 3.47Å; D436-R511 IonicContact OD1-CZ 3.21Å; D436-R511 IonicContact OD1-NH2 3.27Å; D436-R511 PolarHBondContact OD1-NH2 3.46Å; D436-R511 IonicContact OD2-NH2 3.56Å; D436-R511 PolarHBondContact OD2-NH2 2.99Å |
| 437 | A | 97.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 3% | 0.033 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T370 V373 Q374 E433 Y434 C439 S440 L441 | T370-A437 HydrophobicContact CG2-CB 4.22Å; V373-A437 HydrophobicContact CB-CB 4.31Å; V373-A437 HydrophobicContact CG1-CB 3.81Å; V373-A437 VanDerWaalsContact CG1-O 3.27Å; V373-A437 WeakPolarHBondContact CG1-O 3.49Å; Q374-A437 HydrophobicContact CG-CB 3.6Å; E433-A437 PolarHBondContact O-N 3.19Å; Y434-A437 WeakPolarHBondContact O-CB 3.48Å; Y434-A437 PolarHBondContact O-N 2.93Å; A437-C439 PolarHBondContact O-N 3.23Å; A437-S440 VanDerWaalsContact O-CB 3.31Å; A437-S440 WeakPolarHBondContact O-CB 3.16Å; A437-S440 PolarHBondContact O-N 3.2Å; A437-S440 VanDerWaalsContact O-N 3.14Å; A437-L441 PolarHBondContact O-N 2.93Å |
| 438 | A | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.6 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F408 Y434 S440 L441 L442 F480 | F408-A438 HydrophobicContact CD2-CB 3.83Å; F408-A438 HydrophobicContact CE2-CB 4.37Å; Y434-A438 HydrophobicContact CE1-CB 4.31Å; Y434-A438 WeakPolarHBondContact O-CB 3.43Å; Y434-A438 PolarHBondContact O-N 2.99Å; A438-S440 VanDerWaalsContact C-N 3.32Å; A438-S440 PolarHBondContact O-N 3.35Å; A438-L441 PolarHBondContact O-N 2.8Å; A438-L442 WeakPolarHBondContact O-CB 3.35Å; A438-L442 PolarHBondContact O-N 2.72Å; A438-F480 HydrophobicContact CB-CE2 3.97Å; A438-F480 HydrophobicContact CB-CZ 4.26Å |
| 439 | C | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.3 | -43.5 | 173.1 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | L435 D436 A437 L442 S443 F480 R511 | L435-C439 WeakPolarHBondContact O-CB 3.39Å; L435-C439 PolarHBondContact O-N 3.42Å; D436-C439 PolarHBondContact O-N 2.81Å; A437-C439 PolarHBondContact O-N 3.23Å; C439-L442 PolarHBondContact O-N 2.85Å; C439-S443 WeakPolarHBondContact O-CB 3.49Å; C439-S443 PolarHBondContact O-N 2.8Å; C439-F480 HydrophobicContact CB-CZ 4.41Å; C439-R511 VanDerWaalsContact SG-CG 3.57Å |
| 440 | S | 96.1 | Very high | 93.1 | Very high | 23 Ų | 23 | 14 Ų | 14 | 16% | 0.161 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.8 | -47.9 | 177.2 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | D436 A437 A438 S443 E444 Q510 | D436-S440 PolarHBondContact O-N 2.9Å; D436-S440 PolarHBondContact O-OG 2.82Å; A437-S440 VanDerWaalsContact O-CB 3.31Å; A437-S440 WeakPolarHBondContact O-CB 3.16Å; A437-S440 PolarHBondContact O-N 3.2Å; A437-S440 VanDerWaalsContact O-N 3.14Å; A438-S440 VanDerWaalsContact C-N 3.32Å; A438-S440 PolarHBondContact O-N 3.35Å; S440-S443 WeakPolarHBondContact O-CB 3.17Å; S440-S443 PolarHBondContact O-N 2.87Å; S440-E444 PolarHBondContact O-N 2.89Å; S440-Q510 PolarHBondContact OG-OE1 2.98Å; S440-Q510 VanDerWaalsContact OG-OE1 3.1Å |
| 441 | L | 97.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.5 | -44.9 | 177.8 | 178.1 | 58.8 | 0 | 0 | 0 | 112 | V373 L376 A377 F380 L404 F408 A437 A438 S443 E444 L445 | V373-L441 HydrophobicContact CB-CD2 4.48Å; V373-L441 HydrophobicContact CG1-CB 3.81Å; V373-L441 HydrophobicContact CG1-CD2 3.91Å; V373-L441 HydrophobicContact CG2-CD2 4.47Å; L376-L441 HydrophobicContact CB-CD1 3.89Å; L376-L441 HydrophobicContact CB-CD2 4.13Å; L376-L441 HydrophobicContact CD1-CD2 4.2Å; A377-L441 HydrophobicContact CB-CB 4.33Å; A377-L441 HydrophobicContact CB-CD1 4.4Å; F380-L441 HydrophobicContact CD2-CD1 3.76Å; F380-L441 HydrophobicContact CE2-CD1 4.01Å; L404-L441 HydrophobicContact CD1-CD2 4.18Å; L404-L441 HydrophobicContact CD2-CD2 4.5Å; F408-L441 HydrophobicContact CD1-CD2 3.81Å; F408-L441 HydrophobicContact CE1-CD2 4Å; F408-L441 HydrophobicContact CE1-CG 4.25Å; F408-L441 HydrophobicContact CG-CD2 4.28Å; A437-L441 PolarHBondContact O-N 2.93Å; A438-L441 PolarHBondContact O-N 2.8Å; L441-S443 VanDerWaalsContact C-N 3.25Å; L441-S443 PolarHBondContact O-N 2.89Å; L441-E444 PolarHBondContact O-N 3.41Å; L441-E444 VanDerWaalsContact O-N 3.12Å; L441-L445 HydrophobicContact CD1-CG 4.49Å; L441-L445 HydrophobicContact CG-CD1 4.27Å; L441-L445 PolarHBondContact O-N 2.93Å |
| 442 | L | 97 | Very high | 91.2 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61 | -36.7 | 176.5 | -176.3 | 56.6 | 0 | 0 | 0 | 111.6 | L405 F408 I409 A438 C439 E444 L445 L446 I467 L471 F480 L514 | L405-L442 HydrophobicContact CD2-CD1 3.96Å; F408-L442 HydrophobicContact CE2-CB 3.94Å; F408-L442 HydrophobicContact CZ-CB 3.89Å; F408-L442 HydrophobicContact CZ-CD1 4.11Å; F408-L442 HydrophobicContact CZ-CG 4.5Å; I409-L442 HydrophobicContact CD1-CD2 4.45Å; A438-L442 WeakPolarHBondContact O-CB 3.35Å; A438-L442 PolarHBondContact O-N 2.72Å; C439-L442 PolarHBondContact O-N 2.85Å; L442-E444 VanDerWaalsContact C-N 3.34Å; L442-E444 PolarHBondContact O-N 2.97Å; L442-L445 PolarHBondContact O-N 2.9Å; L442-L446 HydrophobicContact CD1-CG 4.39Å; L442-L446 HydrophobicContact CG-CD1 4.29Å; L442-L446 HydrophobicContact CG-CG 4.44Å; L442-L446 WeakPolarHBondContact O-CB 3.49Å; L442-L446 VanDerWaalsContact O-CG 3.24Å; L442-L446 WeakPolarHBondContact O-CG 3.49Å; L442-L446 PolarHBondContact O-N 3.27Å; L442-I467 HydrophobicContact CD1-CG2 4.17Å; L442-L471 HydrophobicContact CD1-CD1 3.97Å; L442-L471 HydrophobicContact CD2-CD1 4.38Å; L442-F480 HydrophobicContact CD2-CE1 3.98Å; L442-L514 HydrophobicContact CD2-CD1 3.46Å; L442-L514 VanDerWaalsContact CD2-CD1 3.46Å; L442-L514 HydrophobicContact CD2-CD2 4.13Å; L442-L514 HydrophobicContact CD2-CG 4.45Å; L442-L514 HydrophobicContact CG-CD1 4Å |
| 443 | S | 94.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.014 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.9 | -40 | 174.7 | -155.2 | 0 | 0 | 0 | 0 | 112.5 | C439 S440 L441 L446 L447 Q510 | C439-S443 WeakPolarHBondContact O-CB 3.49Å; C439-S443 PolarHBondContact O-N 2.8Å; S440-S443 WeakPolarHBondContact O-CB 3.17Å; S440-S443 PolarHBondContact O-N 2.87Å; L441-S443 VanDerWaalsContact C-N 3.25Å; L441-S443 PolarHBondContact O-N 2.89Å; S443-L446 PolarHBondContact O-N 3.27Å; S443-L447 PolarHBondContact O-N 3.11Å; S443-Q510 PolarHBondContact OG-O 3.42Å |
| 444 | E | 93 | Very high | 88.3 | Confident | 7 Ų | 7 | 19.7 Ų | 19.7 | 3% | 0.033 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -68.3 | -38.8 | 175 | -62.6 | -66 | 170.6 | 0 | 0 | 111.6 | F380 R381 S440 L441 L442 L447 L448 | F380-E444 HydrophobicContact CB-CB 4Å; R381-E444 IonicContact CZ-OE1 3.85Å; R381-E444 VanDerWaalsContact CZ-OE1 3.3Å; R381-E444 IonicContact NE-OE1 2.9Å; R381-E444 PolarHBondContact NE-OE1 3.08Å; R381-E444 IonicContact NH2-OE1 3.36Å; R381-E444 PolarHBondContact NH2-OE1 3.34Å; S440-E444 PolarHBondContact O-N 2.89Å; L441-E444 PolarHBondContact O-N 3.41Å; L441-E444 VanDerWaalsContact O-N 3.12Å; L442-E444 VanDerWaalsContact C-N 3.34Å; L442-E444 PolarHBondContact O-N 2.97Å; E444-L447 WeakPolarHBondContact O-CB 3.14Å; E444-L447 PolarHBondContact O-N 2.68Å; E444-L448 PolarHBondContact O-N 2.91Å |
| 445 | L | 93.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67 | -38.4 | 174.5 | -69.1 | 171.7 | 0 | 0 | 0 | 112.1 | F380 L404 L405 F408 L441 L442 L447 L448 G449 I467 | F380-L445 HydrophobicContact CD1-CD2 4.37Å; F380-L445 HydrophobicContact CE1-CD2 3.69Å; F380-L445 HydrophobicContact CE2-CD2 4.12Å; F380-L445 HydrophobicContact CZ-CD2 3.57Å; L404-L445 HydrophobicContact CD2-CD1 4.29Å; L405-L445 HydrophobicContact CD2-CD1 3.64Å; L405-L445 HydrophobicContact CG-CD1 4.34Å; F408-L445 HydrophobicContact CE1-CD1 3.67Å; F408-L445 HydrophobicContact CZ-CD1 4.01Å; L441-L445 HydrophobicContact CD1-CG 4.49Å; L441-L445 HydrophobicContact CG-CD1 4.27Å; L441-L445 PolarHBondContact O-N 2.93Å; L442-L445 PolarHBondContact O-N 2.9Å; L445-L447 VanDerWaalsContact C-N 3.3Å; L445-L447 PolarHBondContact O-N 3.12Å; L445-L448 WeakPolarHBondContact O-CB 3.31Å; L445-L448 PolarHBondContact O-N 2.94Å; L445-G449 PolarHBondContact O-N 2.67Å; L445-I467 WeakPolarHBondContact O-CD1 3.42Å |
| 446 | L | 92.4 | Very high | 84.7 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.9 | -37.3 | 173 | -70.9 | 170.9 | 0 | 0 | 0 | 111.3 | L442 S443 G449 Y450 V464 I467 L468 L514 A517 | L442-L446 HydrophobicContact CD1-CG 4.39Å; L442-L446 HydrophobicContact CG-CD1 4.29Å; L442-L446 HydrophobicContact CG-CG 4.44Å; L442-L446 WeakPolarHBondContact O-CB 3.49Å; L442-L446 VanDerWaalsContact O-CG 3.24Å; L442-L446 WeakPolarHBondContact O-CG 3.49Å; L442-L446 PolarHBondContact O-N 3.27Å; S443-L446 PolarHBondContact O-N 3.27Å; L446-G449 WeakPolarHBondContact O-CA 3.33Å; L446-G449 PolarHBondContact O-N 3.15Å; L446-G449 VanDerWaalsContact O-N 3.09Å; L446-Y450 WeakPolarHBondContact O-CD2 3.49Å; L446-Y450 PolarHBondContact O-N 2.87Å; L446-V464 HydrophobicContact CD2-CG1 3.87Å; L446-I467 HydrophobicContact CD2-CG2 4.19Å; L446-L468 HydrophobicContact CD2-CD2 4.4Å; L446-L514 HydrophobicContact CD1-CB 4.39Å; L446-L514 HydrophobicContact CD1-CD1 3.69Å; L446-A517 HydrophobicContact CD1-CB 3.91Å; L446-A517 HydrophobicContact CD2-CB 4.19Å |
| 447 | L | 86.1 | Confident | 82.6 | Confident | 15 Ų | 15 | 27.4 Ų | 27.4 | 8% | 0.079 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.6 | -46.6 | 172.9 | -177.7 | 61.7 | 0 | 0 | 0 | 111.1 | S443 E444 L445 G449 Y450 E451 R513 | S443-L447 PolarHBondContact O-N 3.11Å; E444-L447 WeakPolarHBondContact O-CB 3.14Å; E444-L447 PolarHBondContact O-N 2.68Å; L445-L447 VanDerWaalsContact C-N 3.3Å; L445-L447 PolarHBondContact O-N 3.12Å; L447-G449 PolarHBondContact O-N 2.88Å; L447-Y450 PolarHBondContact O-N 2.91Å; L447-Y450 VanDerWaalsContact O-N 3.07Å; L447-E451 WeakPolarHBondContact O-CG 3.49Å; L447-E451 PolarHBondContact O-N 2.89Å; L447-E451 VanDerWaalsContact O-N 3.11Å; L447-R513 VanDerWaalsContact CD1-NH2 3.33Å |
| 448 | L | 86.6 | Confident | 80.4 | Confident | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.4 | -41.2 | 171.7 | 174.8 | 70.4 | 0 | 0 | 0 | 111.4 | F380 L393 F394 I401 E444 L445 Y450 E451 T452 V462 | F380-L448 HydrophobicContact CE1-CD2 4.42Å; L393-L448 HydrophobicContact CD1-CD1 4.49Å; L393-L448 HydrophobicContact CD1-CD2 3.78Å; F394-L448 HydrophobicContact CZ-CD1 3.99Å; I401-L448 HydrophobicContact CD1-CD2 3.84Å; E444-L448 PolarHBondContact O-N 2.91Å; L445-L448 WeakPolarHBondContact O-CB 3.31Å; L445-L448 PolarHBondContact O-N 2.94Å; L448-Y450 VanDerWaalsContact C-N 3.33Å; L448-Y450 PolarHBondContact O-N 3.39Å; L448-E451 WeakPolarHBondContact O-CB 3.43Å; L448-E451 PolarHBondContact O-N 2.75Å; L448-E451 VanDerWaalsContact O-N 3.16Å; L448-T452 HydrophobicContact CD1-CG2 4.44Å; L448-T452 WeakPolarHBondContact O-CG2 3.38Å; L448-T452 PolarHBondContact O-N 3.32Å; L448-T452 PolarHBondContact O-OG1 3.45Å; L448-V462 HydrophobicContact CD2-CG1 4.17Å |
| 449 | G | 85.4 | Confident | 78.5 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.6 | -26.5 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | L445 L446 L447 T452 V462 | L445-G449 PolarHBondContact O-N 2.67Å; L446-G449 WeakPolarHBondContact O-CA 3.33Å; L446-G449 PolarHBondContact O-N 3.15Å; L446-G449 VanDerWaalsContact O-N 3.09Å; L447-G449 PolarHBondContact O-N 2.88Å; G449-T452 WeakPolarHBondContact CA-OG1 3.29Å; G449-T452 PolarHBondContact O-OG1 2.88Å; G449-T452 VanDerWaalsContact O-OG1 3.13Å; G449-V462 WeakPolarHBondContact CA-O 3.33Å |
| 450 | Y | 80.2 | Confident | 76.5 | Confident | 48 Ų | 48 | 42.3 Ų | 42.3 | 19% | 0.188 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.2 | -33.7 | 170.7 | -72.9 | -69.1 | 0 | 0 | 0 | 111.7 | L446 L447 L448 V464 Y521 | L446-Y450 WeakPolarHBondContact O-CD2 3.49Å; L446-Y450 PolarHBondContact O-N 2.87Å; L447-Y450 PolarHBondContact O-N 2.91Å; L447-Y450 VanDerWaalsContact O-N 3.07Å; L448-Y450 VanDerWaalsContact C-N 3.33Å; L448-Y450 PolarHBondContact O-N 3.39Å; Y450-V464 HydrophobicContact CD1-CG2 3.78Å; Y450-V464 HydrophobicContact CD2-CG2 3.86Å; Y450-V464 HydrophobicContact CE1-CG2 3.76Å; Y450-V464 HydrophobicContact CE2-CG2 3.82Å; Y450-V464 HydrophobicContact CG-CG2 3.83Å; Y450-Y521 AromaticContact CE1-CE2 3.67Å; Y450-Y521 HydrophobicContact CE1-CE2 3.67Å; Y450-Y521 AromaticContact CE1-CZ 3.83Å; Y450-Y521 AromaticContact CZ-CE2 3.92Å; Y450-Y521 WeakPolarHBondContact OH-CE2 3.49Å |
| 451 | E | 73.1 | Confident | 75.2 | Confident | 22 Ų | 22 | 44.8 Ų | 44.8 | 10% | 0.103 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.4 | -50.8 | 176 | -65.9 | 170.3 | 175 | 0 | 0 | 111.2 | L254 S258 L447 L448 R453 R454 C455 | L254-E451 WeakPolarHBondContact CD1-O 3.13Å; S258-E451 VanDerWaalsContact CB-OE1 3.3Å; S258-E451 WeakPolarHBondContact CB-OE1 3.24Å; S258-E451 PolarHBondContact OG-OE1 3.1Å; L447-E451 WeakPolarHBondContact O-CG 3.49Å; L447-E451 PolarHBondContact O-N 2.89Å; L447-E451 VanDerWaalsContact O-N 3.11Å; L448-E451 WeakPolarHBondContact O-CB 3.43Å; L448-E451 PolarHBondContact O-N 2.75Å; L448-E451 VanDerWaalsContact O-N 3.16Å; E451-R453 PolarHBondContact O-N 3.42Å; E451-R454 PolarHBondContact O-N 2.82Å; E451-C455 PolarHBondContact O-N 3.28Å; E451-C455 PolarHBondContact O-SG 3.41Å |
| 452 | T | 70.6 | Confident | 74.4 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 5% | 0.049 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | -177.5 | 51.2 | 0 | 0 | 0 | 0 | 113.6 | F394 L448 G449 R454 C455 F456 V462 | F394-T452 HydrophobicContact CE1-CG2 3.53Å; F394-T452 HydrophobicContact CE2-CG2 4.3Å; F394-T452 HydrophobicContact CZ-CG2 3.29Å; L448-T452 HydrophobicContact CD1-CG2 4.44Å; L448-T452 WeakPolarHBondContact O-CG2 3.38Å; L448-T452 PolarHBondContact O-N 3.32Å; L448-T452 PolarHBondContact O-OG1 3.45Å; G449-T452 WeakPolarHBondContact CA-OG1 3.29Å; G449-T452 PolarHBondContact O-OG1 2.88Å; G449-T452 VanDerWaalsContact O-OG1 3.13Å; T452-R454 PolarHBondContact O-N 3.48Å; T452-R454 VanDerWaalsContact O-N 3.1Å; T452-C455 PolarHBondContact O-N 3.19Å; T452-C455 VanDerWaalsContact O-N 3.15Å; T452-F456 PolarHBondContact O-N 3.26Å; T452-V462 PolarHBondContact OG1-O 2.86Å |
| 453 | R | 66.8 | Low | 74 | Confident | 140 Ų | 140 | 45.8 Ų | 45.8 | 53% | 0.528 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -54.7 | -34.5 | -177.9 | -177.8 | -179.3 | 179.9 | -162.8 | 2.2 | 112.7 | E451 Y521 | E451-R453 PolarHBondContact O-N 3.42Å; R453-Y521 PolarHBondContact NH1-OH 3.41Å |
| 454 | R | 61.7 | Low | 73.9 | Confident | 101 Ų | 101 | 45.8 Ų | 45.8 | 38% | 0.381 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -91.6 | -28.1 | -177.5 | -67.3 | -157.7 | -169.2 | 136.3 | -6.4 | 112.8 | L254 E451 T452 | L254-R454 HydrophobicContact CD1-CB 3.42Å; L254-R454 VanDerWaalsContact CD1-CB 3.42Å; L254-R454 HydrophobicContact CD1-CG 4.43Å; L254-R454 HydrophobicContact CD2-CB 3.85Å; L254-R454 HydrophobicContact CD2-CG 3.95Å; L254-R454 HydrophobicContact CG-CB 3.91Å; L254-R454 HydrophobicContact CG-CG 4.45Å; E451-R454 PolarHBondContact O-N 2.82Å; T452-R454 PolarHBondContact O-N 3.48Å; T452-R454 VanDerWaalsContact O-N 3.1Å |
| 455 | C | 56.8 | Low | 73.8 | Confident | 44 Ų | 44 | 48.3 Ų | 48.3 | 30% | 0.297 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -75.5 | -33.4 | 175.1 | -65.2 | 0 | 0 | 0 | 0 | 113.1 | T251 L254 E451 T452 P457 | T251-C455 HydrophobicContact CG2-CB 4.5Å; T251-C455 WeakPolarHBondContact CG2-SG 3.46Å; L254-C455 WeakPolarHBondContact CD1-SG 3.22Å; E451-C455 PolarHBondContact O-N 3.28Å; E451-C455 PolarHBondContact O-SG 3.41Å; T452-C455 PolarHBondContact O-N 3.19Å; T452-C455 VanDerWaalsContact O-N 3.15Å; C455-P457 VanDerWaalsContact C-CD 3.45Å; C455-P457 WeakPolarHBondContact O-CD 3.01Å |
| 456 | F | 58.9 | Low | 73.7 | Confident | 43 Ų | 43 | 51 Ų | 51 | 19% | 0.189 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -128.3 | 63.9 | -174.2 | -54.5 | -79 | 0 | 0 | 0 | 112 | L11 T452 G458 E459 | L11-F456 HydrophobicContact CD2-CZ 4.23Å; T452-F456 PolarHBondContact O-N 3.26Å; F456-G458 PolarHBondContact O-N 3.1Å; F456-G458 VanDerWaalsContact O-N 3.09Å; F456-E459 HydrophobicContact CB-CB 4.26Å; F456-E459 PolarHBondContact O-N 3.21Å |
| 457 | P | 52.8 | Low | 73.9 | Confident | 110 Ų | 110 | 50.9 Ų | 50.9 | 71% | 0.714 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 114.4 | 177.7 | 25.5 | -31.5 | 0 | 0 | 0 | 110.3 | C455 | C455-P457 VanDerWaalsContact C-CD 3.45Å; C455-P457 WeakPolarHBondContact O-CD 3.01Å |
| 458 | G | 51.4 | Low | 74.3 | Confident | 79 Ų | 79 | 50.3 Ų | 50.3 | 81% | 0.814 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.1 | -13.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | F456 | F456-G458 PolarHBondContact O-N 3.1Å; F456-G458 VanDerWaalsContact O-N 3.09Å |
| 459 | E | 56 | Low | 74.7 | Confident | 101 Ų | 101 | 51.7 Ų | 51.7 | 47% | 0.472 | 28% | 0.284 | S | S | . | . | trans | -102.1 | 117 | 170.7 | -61 | -172.2 | 167.1 | 0 | 0 | 109.3 | F456 F461 | F456-E459 HydrophobicContact CB-CB 4.26Å; F456-E459 PolarHBondContact O-N 3.21Å; E459-F461 HydrophobicContact CB-CD2 3.48Å; E459-F461 VanDerWaalsContact CB-CD2 3.48Å; E459-F461 HydrophobicContact CB-CE2 3.6Å; E459-F461 HydrophobicContact CG-CD2 4.4Å; E459-F461 HydrophobicContact CG-CE2 4.12Å; E459-F461 PolarHBondContact O-N 2.83Å; E459-F461 WeakPolarHBondContact OE2-CE2 3.39Å | ||
| 460 | N | 55.6 | Low | 75.1 | Confident | 137 Ų | 137 | 53 Ų | 53 | 73% | 0.733 | 29% | 0.292 | S | S | * | . | trans | -75.2 | 48.7 | -176.2 | -75.5 | -25.2 | 0 | 0 | 0 | 112.9 | ||||
| 461 | F | 69.8 | Low | 75.8 | Confident | 75 Ų | 75 | 50.7 Ų | 50.7 | 33% | 0.329 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -97.9 | 117.7 | -179.5 | -60.3 | -55.9 | 0 | 0 | 0 | 110.9 | R397 E459 S463 | R397-F461 HydrophobicContact CB-CE1 4.36Å; R397-F461 HydrophobicContact CG-CE1 4.09Å; E459-F461 HydrophobicContact CB-CD2 3.48Å; E459-F461 VanDerWaalsContact CB-CD2 3.48Å; E459-F461 HydrophobicContact CB-CE2 3.6Å; E459-F461 HydrophobicContact CG-CD2 4.4Å; E459-F461 HydrophobicContact CG-CE2 4.12Å; E459-F461 PolarHBondContact O-N 2.83Å; E459-F461 WeakPolarHBondContact OE2-CE2 3.39Å; F461-S463 PolarHBondContact O-N 2.78Å |
| 462 | V | 80.2 | Confident | 76.8 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 46.2 | 44.1 | 168.2 | -163.9 | 0 | 0 | 0 | 0 | 113.2 | F394 I401 L448 G449 T452 W466 I467 | F394-V462 HydrophobicContact CD1-CB 4.13Å; F394-V462 HydrophobicContact CD1-CG2 3.61Å; F394-V462 HydrophobicContact CE1-CB 3.8Å; F394-V462 HydrophobicContact CE1-CG1 4.32Å; F394-V462 HydrophobicContact CE1-CG2 3.8Å; I401-V462 HydrophobicContact CD1-CG1 3.8Å; I401-V462 HydrophobicContact CD1-CG2 4.2Å; I401-V462 HydrophobicContact CG2-CG1 4.33Å; L448-V462 HydrophobicContact CD2-CG1 4.17Å; G449-V462 WeakPolarHBondContact CA-O 3.33Å; T452-V462 PolarHBondContact OG1-O 2.86Å; V462-W466 HydrophobicContact CB-CE3 4.13Å; V462-W466 HydrophobicContact CB-CZ3 4.2Å; V462-W466 HydrophobicContact CG1-CE3 4.06Å; V462-W466 HydrophobicContact CG1-CZ3 3.9Å; V462-W466 HydrophobicContact CG2-CE3 4.23Å; V462-W466 HydrophobicContact CG2-CH2 4.13Å; V462-W466 HydrophobicContact CG2-CZ3 3.95Å; V462-I467 HydrophobicContact CG1-CD1 4.18Å; V462-I467 HydrophobicContact CG1-CG1 4.12Å |
| 463 | S | 89.1 | Confident | 77.8 | Confident | 21 Ų | 21 | 59 Ų | 59 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | trans | -77.3 | 167.7 | 170.8 | 70.7 | 0 | 0 | 0 | 0 | 110.8 | F461 S465 W466 I467 | F461-S463 PolarHBondContact O-N 2.78Å; S463-S465 VanDerWaalsContact C-N 3.29Å; S463-S465 PolarHBondContact O-N 3.38Å; S463-W466 WeakPolarHBondContact O-CB 3.33Å; S463-W466 PolarHBondContact O-N 2.87Å; S463-W466 PolarHBondContact OG-N 2.85Å; S463-W466 VanDerWaalsContact OG-N 3.16Å; S463-I467 WeakPolarHBondContact O-CG1 3.29Å; S463-I467 PolarHBondContact O-N 3.33Å | ||
| 464 | V | 91.5 | Very high | 78.9 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -54.3 | -45.8 | 174 | 177.1 | 0 | 0 | 0 | 0 | 112 | L446 Y450 W466 I467 L468 A517 Y521 | L446-V464 HydrophobicContact CD2-CG1 3.87Å; Y450-V464 HydrophobicContact CD1-CG2 3.78Å; Y450-V464 HydrophobicContact CD2-CG2 3.86Å; Y450-V464 HydrophobicContact CE1-CG2 3.76Å; Y450-V464 HydrophobicContact CE2-CG2 3.82Å; Y450-V464 HydrophobicContact CG-CG2 3.83Å; V464-W466 VanDerWaalsContact C-N 3.32Å; V464-W466 PolarHBondContact O-N 3Å; V464-I467 PolarHBondContact O-N 3.07Å; V464-L468 HydrophobicContact CG1-CD1 4.29Å; V464-L468 WeakPolarHBondContact O-CG 3.4Å; V464-L468 PolarHBondContact O-N 2.9Å; V464-A517 HydrophobicContact CG1-CB 4.15Å; V464-Y521 HydrophobicContact CB-CD1 4.29Å; V464-Y521 HydrophobicContact CB-CD2 4.26Å; V464-Y521 HydrophobicContact CB-CG 4.12Å; V464-Y521 HydrophobicContact CG1-CD1 4.23Å; V464-Y521 HydrophobicContact CG1-CD2 3.51Å; V464-Y521 HydrophobicContact CG1-CE2 4.17Å; V464-Y521 HydrophobicContact CG1-CG 3.57Å |
| 465 | S | 91.2 | Very high | 80.2 | Confident | 61 Ų | 61 | 53 Ų | 53 | 43% | 0.427 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.3 | -36.1 | 176.7 | -61.9 | 0 | 0 | 0 | 0 | 112.6 | S463 G469 Y521 | S463-S465 VanDerWaalsContact C-N 3.29Å; S463-S465 PolarHBondContact O-N 3.38Å; S465-G469 PolarHBondContact O-N 3.38Å; S465-Y521 WeakPolarHBondContact OG-CD1 3.43Å |
| 466 | W | 92.4 | Very high | 81.8 | Confident | 56 Ų | 56 | 52.5 Ų | 52.5 | 21% | 0.212 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.1 | -45.2 | 174.6 | 179.1 | 94.1 | 0 | 0 | 0 | 111.6 | I401 S402 L405 V462 S463 V464 L468 G469 V470 | I401-W466 HydrophobicContact CB-CH2 4.4Å; I401-W466 HydrophobicContact CG2-CH2 4.17Å; I401-W466 HydrophobicContact CG2-CZ3 3.83Å; S402-W466 WeakPolarHBondContact OG-CH2 3.22Å; S402-W466 VanDerWaalsContact OG-CZ2 3.26Å; S402-W466 WeakPolarHBondContact OG-CZ2 3.3Å; L405-W466 HydrophobicContact CD1-CZ3 4.04Å; V462-W466 HydrophobicContact CB-CE3 4.13Å; V462-W466 HydrophobicContact CB-CZ3 4.2Å; V462-W466 HydrophobicContact CG1-CE3 4.06Å; V462-W466 HydrophobicContact CG1-CZ3 3.9Å; V462-W466 HydrophobicContact CG2-CE3 4.23Å; V462-W466 HydrophobicContact CG2-CH2 4.13Å; V462-W466 HydrophobicContact CG2-CZ3 3.95Å; S463-W466 WeakPolarHBondContact O-CB 3.33Å; S463-W466 PolarHBondContact O-N 2.87Å; S463-W466 PolarHBondContact OG-N 2.85Å; S463-W466 VanDerWaalsContact OG-N 3.16Å; V464-W466 VanDerWaalsContact C-N 3.32Å; V464-W466 PolarHBondContact O-N 3Å; W466-L468 VanDerWaalsContact C-N 3.34Å; W466-L468 PolarHBondContact O-N 3.35Å; W466-G469 CarbonylContact O-C 3.58Å; W466-G469 WeakPolarHBondContact O-CA 3.37Å; W466-G469 PolarHBondContact O-N 2.94Å; W466-G469 VanDerWaalsContact O-N 3.1Å; W466-V470 HydrophobicContact CD2-CG2 3.84Å; W466-V470 HydrophobicContact CE3-CG2 3.95Å; W466-V470 HydrophobicContact CH2-CG2 3.84Å; W466-V470 HydrophobicContact CZ2-CG2 3.67Å; W466-V470 HydrophobicContact CZ3-CG2 3.95Å; W466-V470 WeakPolarHBondContact O-CG2 3.23Å; W466-V470 PolarHBondContact O-N 3.34Å |
| 467 | I | 95.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58 | -49.2 | 178.5 | -69.6 | 170.6 | 0 | 0 | 0 | 109.9 | L405 L442 L445 L446 V462 S463 V464 G469 V470 L471 | L405-I467 HydrophobicContact CD1-CB 4.38Å; L405-I467 HydrophobicContact CD1-CG1 4.38Å; L405-I467 HydrophobicContact CD1-CG2 3.95Å; L405-I467 HydrophobicContact CD2-CG2 3.8Å; L442-I467 HydrophobicContact CD1-CG2 4.17Å; L445-I467 WeakPolarHBondContact O-CD1 3.42Å; L446-I467 HydrophobicContact CD2-CG2 4.19Å; V462-I467 HydrophobicContact CG1-CD1 4.18Å; V462-I467 HydrophobicContact CG1-CG1 4.12Å; S463-I467 WeakPolarHBondContact O-CG1 3.29Å; S463-I467 PolarHBondContact O-N 3.33Å; V464-I467 PolarHBondContact O-N 3.07Å; I467-G469 VanDerWaalsContact C-N 3.31Å; I467-G469 PolarHBondContact O-N 2.67Å; I467-V470 PolarHBondContact O-N 3.08Å; I467-L471 WeakPolarHBondContact O-CG 3.21Å; I467-L471 PolarHBondContact O-N 3.36Å |
| 468 | L | 95.2 | Very high | 85.4 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.2 | -33.8 | 177.3 | -63.7 | -179.6 | 0 | 0 | 0 | 112.2 | L446 V464 W466 L471 Q472 L525 | L446-L468 HydrophobicContact CD2-CD2 4.4Å; V464-L468 HydrophobicContact CG1-CD1 4.29Å; V464-L468 WeakPolarHBondContact O-CG 3.4Å; V464-L468 PolarHBondContact O-N 2.9Å; W466-L468 VanDerWaalsContact C-N 3.34Å; W466-L468 PolarHBondContact O-N 3.35Å; L468-L471 PolarHBondContact O-N 3.09Å; L468-Q472 PolarHBondContact O-N 3.41Å; L468-L525 HydrophobicContact CD2-CD1 4.26Å |
| 469 | G | 94 | Very high | 87.4 | Confident | 34 Ų | 34 | 45.9 Ų | 45.9 | 35% | 0.351 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S465 W466 I467 L471 Q472 P473 | S465-G469 PolarHBondContact O-N 3.38Å; W466-G469 CarbonylContact O-C 3.58Å; W466-G469 WeakPolarHBondContact O-CA 3.37Å; W466-G469 PolarHBondContact O-N 2.94Å; W466-G469 VanDerWaalsContact O-N 3.1Å; I467-G469 VanDerWaalsContact C-N 3.31Å; I467-G469 PolarHBondContact O-N 2.67Å; G469-L471 VanDerWaalsContact C-N 3.29Å; G469-L471 PolarHBondContact O-N 3.26Å; G469-Q472 WeakPolarHBondContact O-CB 3.4Å; G469-Q472 PolarHBondContact O-N 3Å; G469-P473 WeakPolarHBondContact O-CD 3.47Å |
| 470 | V | 94.4 | Very high | 89.2 | Confident | 26 Ų | 26 | 41 Ų | 41 | 16% | 0.158 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62 | -39.6 | 173.4 | 169 | 0 | 0 | 0 | 0 | 111.1 | L405 L406 W466 I467 P473 | L405-V470 HydrophobicContact CB-CG1 4.23Å; L405-V470 HydrophobicContact CD1-CB 4.21Å; L405-V470 HydrophobicContact CD1-CG1 4.03Å; L406-V470 HydrophobicContact CD2-CG1 4.49Å; L406-V470 HydrophobicContact CG-CG1 4.3Å; W466-V470 HydrophobicContact CD2-CG2 3.84Å; W466-V470 HydrophobicContact CE3-CG2 3.95Å; W466-V470 HydrophobicContact CH2-CG2 3.84Å; W466-V470 HydrophobicContact CZ2-CG2 3.67Å; W466-V470 HydrophobicContact CZ3-CG2 3.95Å; W466-V470 WeakPolarHBondContact O-CG2 3.23Å; W466-V470 PolarHBondContact O-N 3.34Å; I467-V470 PolarHBondContact O-N 3.08Å; V470-P473 WeakPolarHBondContact O-CD 3.47Å |
| 471 | L | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -76.6 | -23.3 | 179.2 | -69.4 | 178.4 | 0 | 0 | 0 | 113.4 | L405 I409 L442 I467 L468 G469 P473 H474 L477 | L405-L471 HydrophobicContact CB-CD2 3.79Å; L405-L471 HydrophobicContact CB-CG 4.35Å; L405-L471 HydrophobicContact CD2-CD1 4.24Å; L405-L471 HydrophobicContact CD2-CD2 4.41Å; L405-L471 HydrophobicContact CD2-CG 4.38Å; L405-L471 WeakPolarHBondContact O-CD2 3.43Å; I409-L471 HydrophobicContact CG1-CD2 3.76Å; L442-L471 HydrophobicContact CD1-CD1 3.97Å; L442-L471 HydrophobicContact CD2-CD1 4.38Å; I467-L471 WeakPolarHBondContact O-CG 3.21Å; I467-L471 PolarHBondContact O-N 3.36Å; L468-L471 PolarHBondContact O-N 3.09Å; G469-L471 VanDerWaalsContact C-N 3.29Å; G469-L471 PolarHBondContact O-N 3.26Å; L471-P473 VanDerWaalsContact C-CD 3.48Å; L471-H474 WeakPolarHBondContact O-CB 3.48Å; L471-H474 PolarHBondContact O-N 3.26Å; L471-L477 HydrophobicContact CB-CD1 4.1Å; L471-L477 HydrophobicContact CB-CD2 4.03Å; L471-L477 HydrophobicContact CD1-CD1 4.37Å; L471-L477 WeakPolarHBondContact O-CD2 3.46Å |
| 472 | Q | 93.5 | Very high | 92.4 | Very high | 99 Ų | 99 | 35.3 Ų | 35.3 | 46% | 0.463 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -44.2 | -173.4 | -169.2 | 177.9 | 1.3 | 0 | 0 | 115.2 | L468 G469 H474 | L468-Q472 PolarHBondContact O-N 3.41Å; G469-Q472 WeakPolarHBondContact O-CB 3.4Å; G469-Q472 PolarHBondContact O-N 3Å; Q472-H474 PolarHBondContact O-N 2.89Å |
| 473 | P | 91.3 | Very high | 93.1 | Very high | 107 Ų | 107 | 36 Ų | 36 | 70% | 0.695 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -9.4 | 177.4 | 29.9 | -37 | 0 | 0 | 0 | 113.9 | G469 V470 L471 | G469-P473 WeakPolarHBondContact O-CD 3.47Å; V470-P473 WeakPolarHBondContact O-CD 3.47Å; L471-P473 VanDerWaalsContact C-CD 3.48Å |
| 474 | H | 90.8 | Very high | 93.5 | Very high | 16 Ų | 16 | 35 Ų | 35 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | trans | -69.9 | 125 | -175.3 | -166.4 | -82.9 | 0 | 0 | 0 | 111 | L406 I409 L471 Q472 H476 L477 | L406-H474 HydrophobicContact CD2-CB 4.28Å; L406-H474 PolarHBondContact O-NE2 3.08Å; I409-H474 PolarHBondContact O-CE1 3.42Å; L471-H474 WeakPolarHBondContact O-CB 3.48Å; L471-H474 PolarHBondContact O-N 3.26Å; Q472-H474 PolarHBondContact O-N 2.89Å; H474-H476 AromaticContact CE1-CD2 3.77Å; H474-H476 PolarHBondContact ND1-N 3.16Å; H474-H476 PolarHBondContact O-N 3.2Å; H474-H476 VanDerWaalsContact O-N 3.13Å; H474-L477 HydrophobicContact CB-CB 4.4Å; H474-L477 WeakPolarHBondContact O-CB 3.45Å; H474-L477 PolarHBondContact O-N 3.36Å; H474-L477 VanDerWaalsContact O-N 3.08Å | ||
| 475 | P | 88.9 | Confident | 93.7 | Very high | 97 Ų | 97 | 34.9 Ų | 34.9 | 63% | 0.63 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -30.3 | -171.8 | 23.5 | -34.1 | 0 | 0 | 0 | 113.2 | ||
| 476 | H | 90.6 | Very high | 93.9 | Very high | 34 Ų | 34 | 36.1 Ų | 36.1 | 16% | 0.157 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 2.3 | -178.3 | -54.7 | -57.4 | 0 | 0 | 0 | 114.6 | I409 D411 H474 L478 P479 F480 | I409-H476 HydrophobicContact CG2-CB 4.24Å; D411-H476 WeakPolarHBondContact CB-ND1 3.46Å; D411-H476 IonicContact OD2-CE1 3.61Å; D411-H476 IonicContact OD2-ND1 3.69Å; H474-H476 AromaticContact CE1-CD2 3.77Å; H474-H476 PolarHBondContact ND1-N 3.16Å; H474-H476 PolarHBondContact O-N 3.2Å; H474-H476 VanDerWaalsContact O-N 3.13Å; H476-L478 PolarHBondContact O-N 3.1Å; H476-P479 WeakPolarHBondContact O-CD 3.33Å; H476-F480 WeakPolarHBondContact O-CB 3.35Å; H476-F480 PolarHBondContact O-N 3.26Å |
| 477 | L | 93.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.8 | -50.6 | 179.7 | 175.2 | 62.4 | 0 | 0 | 0 | 112 | L471 H474 F480 I481 L525 | L471-L477 HydrophobicContact CB-CD1 4.1Å; L471-L477 HydrophobicContact CB-CD2 4.03Å; L471-L477 HydrophobicContact CD1-CD1 4.37Å; L471-L477 WeakPolarHBondContact O-CD2 3.46Å; H474-L477 HydrophobicContact CB-CB 4.4Å; H474-L477 WeakPolarHBondContact O-CB 3.45Å; H474-L477 PolarHBondContact O-N 3.36Å; H474-L477 VanDerWaalsContact O-N 3.08Å; L477-F480 PolarHBondContact O-N 3.13Å; L477-I481 HydrophobicContact CD1-CD1 4.4Å; L477-I481 HydrophobicContact CD1-CG1 3.91Å; L477-I481 HydrophobicContact CG-CG1 4.47Å; L477-I481 WeakPolarHBondContact O-CG1 3.35Å; L477-I481 PolarHBondContact O-N 3.39Å; L477-L525 HydrophobicContact CD2-CD1 4.33Å; L477-L525 HydrophobicContact CD2-CD2 4.07Å; L477-L525 HydrophobicContact CG-CD2 4.17Å |
| 478 | L | 93.6 | Very high | 94.1 | Very high | 54 Ų | 54 | 35.7 Ų | 35.7 | 28% | 0.283 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.5 | -49.3 | -179.6 | -74.2 | 174.3 | 0 | 0 | 0 | 112.3 | H476 F480 I481 R482 L525 H528 | H476-L478 PolarHBondContact O-N 3.1Å; L478-F480 VanDerWaalsContact C-N 3.32Å; L478-F480 PolarHBondContact O-N 3.32Å; L478-I481 PolarHBondContact O-N 3.46Å; L478-R482 WeakPolarHBondContact O-CB 3.41Å; L478-R482 PolarHBondContact O-N 2.93Å; L478-L525 HydrophobicContact CD2-CD2 3.7Å; L478-H528 HydrophobicContact CD2-CB 3.96Å |
| 479 | P | 93.3 | Very high | 94 | Very high | 32 Ų | 32 | 36.4 Ų | 36.4 | 21% | 0.208 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -52 | -46.7 | 170.7 | -29.6 | 35.3 | 0 | 0 | 0 | 113.5 | P412 H476 R482 H483 | P412-P479 HydrophobicContact CG-CB 3.76Å; P412-P479 WeakPolarHBondContact CG-O 3.47Å; H476-P479 WeakPolarHBondContact O-CD 3.33Å; P479-R482 WeakPolarHBondContact O-CB 3.45Å; P479-R482 PolarHBondContact O-N 3.5Å; P479-H483 PolarHBondContact O-N 2.59Å |
| 480 | F | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.5 | -51 | 179.1 | 177.3 | -94 | 0 | 0 | 0 | 111.7 | I409 L435 A438 C439 L442 H476 L477 L478 R482 H483 Q484 L514 | I409-F480 HydrophobicContact CD1-CD1 3.96Å; I409-F480 HydrophobicContact CD1-CD2 4.35Å; I409-F480 HydrophobicContact CD1-CE1 3.93Å; I409-F480 HydrophobicContact CD1-CE2 4.34Å; I409-F480 HydrophobicContact CD1-CG 4.18Å; I409-F480 HydrophobicContact CD1-CZ 4.13Å; I409-F480 HydrophobicContact CG2-CB 4.15Å; I409-F480 HydrophobicContact CG2-CG 4.36Å; L435-F480 HydrophobicContact CD2-CD2 3.64Å; L435-F480 HydrophobicContact CD2-CE2 3.87Å; A438-F480 HydrophobicContact CB-CE2 3.97Å; A438-F480 HydrophobicContact CB-CZ 4.26Å; C439-F480 HydrophobicContact CB-CZ 4.41Å; L442-F480 HydrophobicContact CD2-CE1 3.98Å; H476-F480 WeakPolarHBondContact O-CB 3.35Å; H476-F480 PolarHBondContact O-N 3.26Å; L477-F480 PolarHBondContact O-N 3.13Å; L478-F480 VanDerWaalsContact C-N 3.32Å; L478-F480 PolarHBondContact O-N 3.32Å; F480-R482 VanDerWaalsContact C-N 3.32Å; F480-R482 PolarHBondContact O-N 3.04Å; F480-H483 WeakPolarHBondContact O-CB 3.38Å; F480-H483 PolarHBondContact O-N 2.74Å; F480-H483 VanDerWaalsContact O-N 3.16Å; F480-Q484 HydrophobicContact CD1-CG 4.35Å; F480-Q484 HydrophobicContact CE1-CG 3.98Å; F480-Q484 HydrophobicContact CZ-CG 4.11Å; F480-Q484 WeakPolarHBondContact O-CG 3.42Å; F480-Q484 PolarHBondContact O-N 2.94Å; F480-L514 HydrophobicContact CE1-CD2 4.01Å |
| 481 | I | 96.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.5 | -40 | 178.7 | -65.3 | -58.2 | 0 | 0 | 0 | 111.5 | L477 L478 H483 Q484 A485 L514 L515 L525 L529 | L477-I481 HydrophobicContact CD1-CD1 4.4Å; L477-I481 HydrophobicContact CD1-CG1 3.91Å; L477-I481 HydrophobicContact CG-CG1 4.47Å; L477-I481 WeakPolarHBondContact O-CG1 3.35Å; L477-I481 PolarHBondContact O-N 3.39Å; L478-I481 PolarHBondContact O-N 3.46Å; I481-H483 VanDerWaalsContact C-N 3.35Å; I481-H483 PolarHBondContact O-N 3.19Å; I481-Q484 PolarHBondContact O-N 3.34Å; I481-A485 PolarHBondContact O-N 3.29Å; I481-L514 HydrophobicContact CD1-CD1 4.04Å; I481-L514 HydrophobicContact CD1-CD2 4.1Å; I481-L514 HydrophobicContact CD1-CG 4.16Å; I481-L515 HydrophobicContact CG2-CD2 4.19Å; I481-L525 HydrophobicContact CG1-CD2 4.27Å; I481-L529 HydrophobicContact CG2-CD1 4.39Å; I481-L529 HydrophobicContact CG2-CD2 3.96Å; I481-L529 HydrophobicContact CG2-CG 4.29Å |
| 482 | R | 95.4 | Very high | 93.8 | Very high | 90 Ų | 90 | 40.5 Ų | 40.5 | 34% | 0.34 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.9 | -46.4 | 173.8 | -179.2 | -172.8 | -73.3 | 147.1 | -11.2 | 111.2 | L478 P479 F480 Q484 A485 Q486 H528 F533 | L478-R482 WeakPolarHBondContact O-CB 3.41Å; L478-R482 PolarHBondContact O-N 2.93Å; P479-R482 WeakPolarHBondContact O-CB 3.45Å; P479-R482 PolarHBondContact O-N 3.5Å; F480-R482 VanDerWaalsContact C-N 3.32Å; F480-R482 PolarHBondContact O-N 3.04Å; R482-Q484 VanDerWaalsContact C-N 3.34Å; R482-Q484 PolarHBondContact O-N 3.04Å; R482-A485 PolarHBondContact O-N 3.45Å; R482-Q486 HydrophobicContact CG-CG 4.5Å; R482-Q486 WeakPolarHBondContact O-CG 3.22Å; R482-Q486 PolarHBondContact O-N 3.33Å; R482-H528 PolarHBondContact NH2-CE1 2.92Å; R482-F533 HydrophobicContact CB-CE2 4.38Å; R482-F533 HydrophobicContact CB-CZ 4.36Å; R482-F533 HydrophobicContact CG-CE2 3.94Å; R482-F533 HydrophobicContact CG-CZ 3.65Å; R482-F533 WeakPolarHBondContact O-CZ 3.43Å |
| 483 | H | 95.5 | Very high | 93.5 | Very high | 15 Ų | 15 | 37.8 Ų | 37.8 | 7% | 0.069 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59 | -45.5 | 176.8 | 175.2 | 92 | 0 | 0 | 0 | 111.2 | P412 P479 F480 I481 A485 Q486 Q487 | P412-H483 HydrophobicContact CB-CB 3.78Å; P412-H483 HydrophobicContact CG-CB 3.92Å; P479-H483 PolarHBondContact O-N 2.59Å; F480-H483 WeakPolarHBondContact O-CB 3.38Å; F480-H483 PolarHBondContact O-N 2.74Å; F480-H483 VanDerWaalsContact O-N 3.16Å; I481-H483 VanDerWaalsContact C-N 3.35Å; I481-H483 PolarHBondContact O-N 3.19Å; H483-A485 VanDerWaalsContact C-N 3.34Å; H483-A485 PolarHBondContact O-N 2.82Å; H483-Q486 PolarHBondContact O-N 3.22Å; H483-Q487 WeakPolarHBondContact O-CG 3.2Å; H483-Q487 PolarHBondContact O-N 3.4Å |
| 484 | Q | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63 | -38.5 | 178.5 | -59.8 | -52.8 | -30.5 | 0 | 0 | 112.8 | L435 F480 I481 R482 L488 L514 | L435-Q484 PolarHBondContact O-NE2 3.41Å; F480-Q484 HydrophobicContact CD1-CG 4.35Å; F480-Q484 HydrophobicContact CE1-CG 3.98Å; F480-Q484 HydrophobicContact CZ-CG 4.11Å; F480-Q484 WeakPolarHBondContact O-CG 3.42Å; F480-Q484 PolarHBondContact O-N 2.94Å; I481-Q484 PolarHBondContact O-N 3.34Å; R482-Q484 VanDerWaalsContact C-N 3.34Å; R482-Q484 PolarHBondContact O-N 3.04Å; Q484-L488 PolarHBondContact O-N 3.07Å; Q484-L488 VanDerWaalsContact O-N 3.13Å; Q484-L514 HydrophobicContact CB-CD2 4.36Å; Q484-L514 HydrophobicContact CG-CD2 3.96Å |
| 485 | A | 96.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.7 | -42.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I481 R482 H483 L488 V489 L515 L529 F533 | I481-A485 PolarHBondContact O-N 3.29Å; R482-A485 PolarHBondContact O-N 3.45Å; H483-A485 VanDerWaalsContact C-N 3.34Å; H483-A485 PolarHBondContact O-N 2.82Å; A485-L488 PolarHBondContact O-N 2.82Å; A485-V489 WeakPolarHBondContact O-CG2 3.34Å; A485-V489 PolarHBondContact O-N 3.14Å; A485-L515 HydrophobicContact CB-CD1 4.15Å; A485-L515 HydrophobicContact CB-CD2 4.23Å; A485-L529 HydrophobicContact CB-CD2 3.87Å; A485-F533 HydrophobicContact CB-CD1 4Å; A485-F533 HydrophobicContact CB-CD2 4.14Å; A485-F533 HydrophobicContact CB-CE1 3.66Å; A485-F533 HydrophobicContact CB-CE2 3.82Å; A485-F533 HydrophobicContact CB-CG 4.21Å; A485-F533 HydrophobicContact CB-CZ 3.56Å |
| 486 | Q | 95.3 | Very high | 91.2 | Very high | 87 Ų | 87 | 45.3 Ų | 45.3 | 41% | 0.407 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.2 | -46.2 | 175.1 | -74.4 | 171.6 | -22.4 | 0 | 0 | 111.8 | R482 H483 L488 V489 L490 F533 | R482-Q486 HydrophobicContact CG-CG 4.5Å; R482-Q486 WeakPolarHBondContact O-CG 3.22Å; R482-Q486 PolarHBondContact O-N 3.33Å; H483-Q486 PolarHBondContact O-N 3.22Å; Q486-L488 VanDerWaalsContact C-N 3.31Å; Q486-L488 PolarHBondContact O-N 3.2Å; Q486-V489 PolarHBondContact O-N 2.93Å; Q486-L490 WeakPolarHBondContact O-CB 3.35Å; Q486-L490 VanDerWaalsContact O-CG 3.25Å; Q486-L490 WeakPolarHBondContact O-CG 3.31Å; Q486-L490 PolarHBondContact O-N 2.96Å; Q486-F533 HydrophobicContact CG-CE1 3.68Å; Q486-F533 HydrophobicContact CG-CZ 3.82Å |
| 487 | Q | 94.8 | Very high | 90.1 | Very high | 47 Ų | 47 | 46.6 Ų | 46.6 | 22% | 0.22 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 178 | -68.7 | -55.5 | -41.5 | 0 | 0 | 112.2 | H483 V491 | H483-Q487 WeakPolarHBondContact O-CG 3.2Å; H483-Q487 PolarHBondContact O-N 3.4Å; Q487-V491 WeakPolarHBondContact O-CB 3.06Å; Q487-V491 VanDerWaalsContact O-CG2 3.22Å; Q487-V491 WeakPolarHBondContact O-CG2 3.49Å; Q487-V491 PolarHBondContact O-N 3.01Å |
| 488 | L | 95.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.7 | -47.2 | 174 | -179 | 154.4 | 0 | 0 | 0 | 111.5 | Q484 A485 Q486 V491 L492 L508 C512 L515 F537 V541 | Q484-L488 PolarHBondContact O-N 3.07Å; Q484-L488 VanDerWaalsContact O-N 3.13Å; A485-L488 PolarHBondContact O-N 2.82Å; Q486-L488 VanDerWaalsContact C-N 3.31Å; Q486-L488 PolarHBondContact O-N 3.2Å; L488-V491 PolarHBondContact O-N 2.96Å; L488-L492 HydrophobicContact CD2-CD1 3.74Å; L488-L492 HydrophobicContact CG-CD1 4.13Å; L488-L492 WeakPolarHBondContact O-CG 3.47Å; L488-L492 PolarHBondContact O-N 2.79Å; L488-L492 VanDerWaalsContact O-N 3.09Å; L488-L508 HydrophobicContact CD1-CD1 4.3Å; L488-L508 HydrophobicContact CG-CD1 3.99Å; L488-C512 VanDerWaalsContact CD1-SG 3.51Å; L488-L515 HydrophobicContact CD1-CD1 3.84Å; L488-F537 HydrophobicContact CD2-CE1 3.86Å; L488-F537 HydrophobicContact CD2-CZ 3.77Å; L488-V541 HydrophobicContact CD2-CB 4.46Å; L488-V541 HydrophobicContact CD2-CG1 3.89Å; L488-V541 HydrophobicContact CD2-CG2 3.67Å |
| 489 | V | 94.7 | Very high | 89.5 | Confident | 18 Ų | 18 | 50 Ų | 50 | 11% | 0.109 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.8 | -50.8 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 109.8 | A485 Q486 V491 L492 S493 F533 E536 F537 A540 V541 | A485-V489 WeakPolarHBondContact O-CG2 3.34Å; A485-V489 PolarHBondContact O-N 3.14Å; Q486-V489 PolarHBondContact O-N 2.93Å; V489-V491 VanDerWaalsContact C-N 3.33Å; V489-V491 PolarHBondContact O-N 3.12Å; V489-L492 PolarHBondContact O-N 2.81Å; V489-S493 WeakPolarHBondContact CG1-OG 3.49Å; V489-S493 WeakPolarHBondContact O-CB 3.34Å; V489-S493 PolarHBondContact O-N 3.46Å; V489-S493 PolarHBondContact O-OG 3.05Å; V489-F533 HydrophobicContact CG2-CD1 4.44Å; V489-E536 HydrophobicContact CG1-CB 4.08Å; V489-E536 HydrophobicContact CG2-CB 4.05Å; V489-F537 HydrophobicContact CG2-CD2 3.95Å; V489-F537 HydrophobicContact CG2-CE2 3.64Å; V489-F537 HydrophobicContact CG2-CZ 4.4Å; V489-A540 HydrophobicContact CG1-CB 4.48Å; V489-V541 HydrophobicContact CG2-CG2 3.91Å |
| 490 | L | 92.9 | Very high | 89.5 | Confident | 106 Ų | 106 | 49 Ų | 49 | 56% | 0.555 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -55.4 | -47 | 179.9 | -72.6 | 170 | 0 | 0 | 0 | 112.1 | Q486 L492 S493 D494 | Q486-L490 WeakPolarHBondContact O-CB 3.35Å; Q486-L490 VanDerWaalsContact O-CG 3.25Å; Q486-L490 WeakPolarHBondContact O-CG 3.31Å; Q486-L490 PolarHBondContact O-N 2.96Å; L490-L492 PolarHBondContact O-N 2.69Å; L490-S493 PolarHBondContact O-N 3.22Å; L490-D494 PolarHBondContact O-N 3.31Å |
| 491 | V | 92.8 | Very high | 89.5 | Confident | 34 Ų | 34 | 51.1 Ų | 51.1 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 179.6 | 165.5 | 0 | 0 | 0 | 0 | 112.2 | Q487 L488 V489 L500 L508 K549 | Q487-V491 WeakPolarHBondContact O-CB 3.06Å; Q487-V491 VanDerWaalsContact O-CG2 3.22Å; Q487-V491 WeakPolarHBondContact O-CG2 3.49Å; Q487-V491 PolarHBondContact O-N 3.01Å; L488-V491 PolarHBondContact O-N 2.96Å; V489-V491 VanDerWaalsContact C-N 3.33Å; V489-V491 PolarHBondContact O-N 3.12Å; V491-L500 HydrophobicContact CG1-CD1 3.72Å; V491-L500 HydrophobicContact CG1-CD2 3.87Å; V491-L500 HydrophobicContact CG1-CG 4.39Å; V491-L508 HydrophobicContact CG1-CD1 4.35Å; V491-L508 HydrophobicContact CG1-CD2 4.38Å; V491-K549 WeakPolarHBondContact O-CE 3.26Å |
| 492 | L | 91.9 | Very high | 89.5 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -86.3 | -18 | -176.1 | -66.4 | -178.9 | 0 | 0 | 0 | 113.9 | L488 V489 L490 L508 V541 S545 A546 K549 V564 | L488-L492 HydrophobicContact CD2-CD1 3.74Å; L488-L492 HydrophobicContact CG-CD1 4.13Å; L488-L492 WeakPolarHBondContact O-CG 3.47Å; L488-L492 PolarHBondContact O-N 2.79Å; L488-L492 VanDerWaalsContact O-N 3.09Å; V489-L492 PolarHBondContact O-N 2.81Å; L490-L492 PolarHBondContact O-N 2.69Å; L492-L508 HydrophobicContact CD1-CD1 4.44Å; L492-L508 HydrophobicContact CD2-CD2 3.95Å; L492-L508 HydrophobicContact CG-CD1 4.37Å; L492-V541 HydrophobicContact CD1-CG1 3.8Å; L492-V541 HydrophobicContact CD1-CG2 4.47Å; L492-S545 WeakPolarHBondContact O-CB 3.17Å; L492-A546 HydrophobicContact CD2-CB 4.07Å; L492-K549 HydrophobicContact CD2-CB 4.48Å; L492-K549 HydrophobicContact CD2-CG 4.37Å; L492-V564 HydrophobicContact CD1-CG2 4.27Å |
| 493 | S | 88.9 | Confident | 89.4 | Confident | 42 Ų | 42 | 49.6 Ų | 49.6 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -90.5 | -13.2 | 179 | -49 | 0 | 0 | 0 | 0 | 113.2 | V489 L490 Q495 A540 | V489-S493 WeakPolarHBondContact CG1-OG 3.49Å; V489-S493 WeakPolarHBondContact O-CB 3.34Å; V489-S493 PolarHBondContact O-N 3.46Å; V489-S493 PolarHBondContact O-OG 3.05Å; L490-S493 PolarHBondContact O-N 3.22Å; S493-Q495 PolarHBondContact O-N 2.87Å; S493-Q495 VanDerWaalsContact O-N 3.07Å; S493-A540 WeakPolarHBondContact OG-CB 3.47Å |
| 494 | D | 82.1 | Confident | 89.4 | Confident | 49 Ų | 49 | 53.8 Ų | 53.8 | 26% | 0.262 | 31% | 0.311 | S | S | . | . | trans | -63.8 | 108.8 | -177.1 | 171.9 | 40.5 | 0 | 0 | 0 | 111.5 | L490 N496 S498 K549 | L490-D494 PolarHBondContact O-N 3.31Å; D494-N496 PolarHBondContact O-N 2.8Å; D494-N496 VanDerWaalsContact OD1-CB 3.29Å; D494-N496 WeakPolarHBondContact OD1-CB 3.32Å; D494-N496 VanDerWaalsContact OD1-CG 3.29Å; D494-N496 PolarHBondContact OD1-N 3.06Å; D494-N496 PolarHBondContact OD1-ND2 2.82Å; D494-S498 PolarHBondContact OD2-OG 2.67Å; D494-K549 WeakPolarHBondContact O-CE 3.49Å; D494-K549 PolarHBondContact O-NZ 3.17Å; D494-K549 IonicContact OD2-NZ 3.75Å; D494-K549 PolarHBondContact OD2-NZ 3.31Å | ||
| 495 | Q | 70.2 | Confident | 89.4 | Confident | 188 Ų | 188 | 53.8 Ų | 53.8 | 88% | 0.879 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -5.7 | -177.4 | -61.5 | -179 | 12.9 | 0 | 0 | 113.3 | S493 G497 | S493-Q495 PolarHBondContact O-N 2.87Å; S493-Q495 VanDerWaalsContact O-N 3.07Å; Q495-G497 PolarHBondContact O-N 3.3Å |
| 496 | N | 69.7 | Low | 89.4 | Confident | 141 Ų | 141 | 54 Ų | 54 | 75% | 0.754 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 7.6 | -174.9 | -67 | -42.5 | 0 | 0 | 0 | 114.5 | D494 S498 | D494-N496 PolarHBondContact O-N 2.8Å; D494-N496 VanDerWaalsContact OD1-CB 3.29Å; D494-N496 WeakPolarHBondContact OD1-CB 3.32Å; D494-N496 VanDerWaalsContact OD1-CG 3.29Å; D494-N496 PolarHBondContact OD1-N 3.06Å; D494-N496 PolarHBondContact OD1-ND2 2.82Å; N496-S498 PolarHBondContact O-N 3.24Å |
| 497 | G | 66.5 | Low | 89.5 | Confident | 62 Ų | 62 | 51 Ų | 51 | 64% | 0.639 | 30% | 0.299 | S | S | * | . | trans | 61.9 | 8.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q495 V499 | Q495-G497 PolarHBondContact O-N 3.3Å; G497-V499 PolarHBondContact O-N 3.21Å | ||
| 498 | S | 83.7 | Confident | 89.6 | Confident | 60 Ų | 60 | 48.8 Ų | 48.8 | 42% | 0.42 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 129.2 | -178.3 | 72.2 | 0 | 0 | 0 | 0 | 109.8 | D494 N496 K549 | D494-S498 PolarHBondContact OD2-OG 2.67Å; N496-S498 PolarHBondContact O-N 3.24Å; S498-K549 WeakPolarHBondContact O-CD 3.28Å; S498-K549 PolarHBondContact O-NZ 3.41Å; S498-K549 VanDerWaalsContact O-NZ 3.15Å; S498-K549 PolarHBondContact OG-NZ 2.92Å |
| 499 | V | 91 | Very high | 89.7 | Confident | 72 Ų | 72 | 49 Ų | 49 | 44% | 0.436 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -90 | 137.2 | -179.3 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | G497 Q551 | G497-V499 PolarHBondContact O-N 3.21Å; V499-Q551 HydrophobicContact CG1-CG 3.17Å; V499-Q551 VanDerWaalsContact CG1-NE2 3.26Å |
| 500 | L | 94.4 | Very high | 89.8 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 141.7 | -176.2 | -61.3 | 177.5 | 0 | 0 | 0 | 112.2 | V491 Q504 S505 L508 K549 L550 Y554 | V491-L500 HydrophobicContact CG1-CD1 3.72Å; V491-L500 HydrophobicContact CG1-CD2 3.87Å; V491-L500 HydrophobicContact CG1-CG 4.39Å; L500-Q504 HydrophobicContact CB-CB 4.05Å; L500-Q504 HydrophobicContact CD2-CB 4.18Å; L500-S505 WeakPolarHBondContact CB-OG 3.24Å; L500-L508 HydrophobicContact CD1-CD2 3.79Å; L500-K549 HydrophobicContact CD1-CB 4.15Å; L500-K549 HydrophobicContact CG-CB 4.2Å; L500-K549 PolarHBondContact N-O 3.07Å; L500-L550 HydrophobicContact CD1-CD2 4.16Å; L500-Y554 WeakPolarHBondContact O-CE2 3.47Å; L500-Y554 PolarHBondContact O-OH 2.87Å; L500-Y554 VanDerWaalsContact O-OH 3.04Å |
| 501 | S | 94.7 | Very high | 90 | Very high | 44 Ų | 44 | 43.8 Ų | 43.8 | 31% | 0.308 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 161.6 | 167.1 | 81.3 | 0 | 0 | 0 | 0 | 110.3 | A503 Q504 S505 | S501-A503 VanDerWaalsContact C-N 3.29Å; S501-A503 PolarHBondContact O-N 2.85Å; S501-Q504 PolarHBondContact O-N 2.9Å; S501-Q504 WeakPolarHBondContact OG-CG 3.44Å; S501-Q504 PolarHBondContact OG-N 2.86Å; S501-Q504 PolarHBondContact OG-OE1 3.46Å; S501-S505 WeakPolarHBondContact O-CB 3.38Å; S501-S505 PolarHBondContact O-N 3.38Å; S501-S505 PolarHBondContact O-OG 3.27Å |
| 502 | P | 96.3 | Very high | 90.2 | Very high | 12 Ų | 12 | 42.2 Ų | 42.2 | 8% | 0.078 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.7 | -40.3 | 176.6 | -27.7 | 37.3 | 0 | 0 | 0 | 113.4 | T268 L271 D272 S505 V506 Y554 | T268-P502 HydrophobicContact CG2-CB 4.02Å; T268-P502 WeakPolarHBondContact O-CB 3.38Å; L271-P502 HydrophobicContact CB-CG 4.12Å; D272-P502 HydrophobicContact CB-CB 4.05Å; D272-P502 HydrophobicContact CB-CG 3.9Å; P502-S505 PolarHBondContact O-N 2.99Å; P502-V506 WeakPolarHBondContact O-CG2 3.49Å; P502-V506 PolarHBondContact O-N 2.82Å; P502-V506 VanDerWaalsContact O-N 3.07Å; P502-Y554 WeakPolarHBondContact CD-OH 3.4Å; P502-Y554 HydrophobicContact CG-CE1 4.16Å |
| 503 | A | 94 | Very high | 90.4 | Very high | 47 Ų | 47 | 43.1 Ų | 43.1 | 39% | 0.388 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L269 S501 S505 V506 L507 | L269-A503 HydrophobicContact CD2-CB 4.47Å; S501-A503 VanDerWaalsContact C-N 3.29Å; S501-A503 PolarHBondContact O-N 2.85Å; A503-S505 VanDerWaalsContact C-N 3.3Å; A503-S505 PolarHBondContact O-N 2.98Å; A503-V506 PolarHBondContact O-N 3.18Å; A503-L507 PolarHBondContact O-N 2.94Å |
| 504 | Q | 95.3 | Very high | 90.8 | Very high | 103 Ų | 103 | 41.1 Ų | 41.1 | 48% | 0.481 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.3 | -37.9 | 176.1 | -72.5 | 169.9 | -30.2 | 0 | 0 | 112.1 | L500 S501 L507 L508 | L500-Q504 HydrophobicContact CB-CB 4.05Å; L500-Q504 HydrophobicContact CD2-CB 4.18Å; S501-Q504 PolarHBondContact O-N 2.9Å; S501-Q504 WeakPolarHBondContact OG-CG 3.44Å; S501-Q504 PolarHBondContact OG-N 2.86Å; S501-Q504 PolarHBondContact OG-OE1 3.46Å; Q504-L507 PolarHBondContact O-N 2.8Å; Q504-L508 WeakPolarHBondContact O-CB 3.16Å; Q504-L508 PolarHBondContact O-N 3.1Å |
| 505 | S | 96.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.5 | -40.6 | 177.1 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | L500 S501 P502 A503 F509 L550 Y554 | L500-S505 WeakPolarHBondContact CB-OG 3.24Å; S501-S505 WeakPolarHBondContact O-CB 3.38Å; S501-S505 PolarHBondContact O-N 3.38Å; S501-S505 PolarHBondContact O-OG 3.27Å; P502-S505 PolarHBondContact O-N 2.99Å; A503-S505 VanDerWaalsContact C-N 3.3Å; A503-S505 PolarHBondContact O-N 2.98Å; S505-F509 PolarHBondContact O-N 3.23Å; S505-F509 VanDerWaalsContact O-N 3.09Å; S505-L550 WeakPolarHBondContact OG-CD2 3.38Å; S505-Y554 WeakPolarHBondContact OG-CD2 3.48Å; S505-Y554 VanDerWaalsContact OG-CE2 3.26Å; S505-Y554 WeakPolarHBondContact OG-CE2 3.46Å |
| 506 | V | 96.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.03 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.9 | -42.5 | 174.2 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | I265 T268 L269 P502 A503 F509 Q510 I556 | I265-V506 HydrophobicContact CG1-CG1 4.47Å; I265-V506 HydrophobicContact CG2-CG1 3.73Å; I265-V506 HydrophobicContact CG2-CG2 4.19Å; T268-V506 HydrophobicContact CG2-CG2 3.92Å; L269-V506 HydrophobicContact CD2-CB 4.19Å; L269-V506 HydrophobicContact CD2-CG2 3.84Å; L269-V506 HydrophobicContact CG-CG2 3.84Å; P502-V506 WeakPolarHBondContact O-CG2 3.49Å; P502-V506 PolarHBondContact O-N 2.82Å; P502-V506 VanDerWaalsContact O-N 3.07Å; A503-V506 PolarHBondContact O-N 3.18Å; V506-F509 WeakPolarHBondContact O-CB 3.32Å; V506-F509 PolarHBondContact O-N 2.86Å; V506-Q510 HydrophobicContact CG1-CG 4.41Å; V506-Q510 WeakPolarHBondContact O-CG 3.45Å; V506-Q510 PolarHBondContact O-N 2.74Å; V506-Q510 PolarHBondContact O-OE1 2.87Å; V506-I556 HydrophobicContact CB-CD1 4.36Å; V506-I556 HydrophobicContact CG2-CD1 3.84Å |
| 507 | L | 97.1 | Very high | 94 | Very high | 23 Ų | 23 | 23.6 Ų | 23.6 | 12% | 0.12 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.2 | -41.7 | 177.9 | -177.9 | 62 | 0 | 0 | 0 | 111.9 | D436 A503 Q504 F509 Q510 R511 | D436-L507 HydrophobicContact CB-CD1 4.04Å; D436-L507 HydrophobicContact CB-CD2 3.79Å; D436-L507 VanDerWaalsContact OD2-CD2 3.27Å; D436-L507 WeakPolarHBondContact OD2-CD2 3.47Å; A503-L507 PolarHBondContact O-N 2.94Å; Q504-L507 PolarHBondContact O-N 2.8Å; L507-F509 VanDerWaalsContact C-N 3.33Å; L507-F509 PolarHBondContact O-N 2.84Å; L507-Q510 PolarHBondContact O-N 2.81Å; L507-R511 WeakPolarHBondContact O-CG 3.44Å; L507-R511 PolarHBondContact O-N 3.13Å |
| 508 | L | 97.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.6 | -46.7 | 172.8 | 178.1 | 63.8 | 0 | 0 | 0 | 111.2 | L488 V491 L492 L500 Q504 Q510 R511 C512 L550 T560 | L488-L508 HydrophobicContact CD1-CD1 4.3Å; L488-L508 HydrophobicContact CG-CD1 3.99Å; V491-L508 HydrophobicContact CG1-CD1 4.35Å; V491-L508 HydrophobicContact CG1-CD2 4.38Å; L492-L508 HydrophobicContact CD1-CD1 4.44Å; L492-L508 HydrophobicContact CD2-CD2 3.95Å; L492-L508 HydrophobicContact CG-CD1 4.37Å; L500-L508 HydrophobicContact CD1-CD2 3.79Å; Q504-L508 WeakPolarHBondContact O-CB 3.16Å; Q504-L508 PolarHBondContact O-N 3.1Å; L508-Q510 PolarHBondContact O-N 3.44Å; L508-R511 PolarHBondContact O-N 2.94Å; L508-C512 PolarHBondContact O-N 3.02Å; L508-C512 PolarHBondContact O-SG 3.46Å; L508-L550 HydrophobicContact CD2-CD1 4.38Å; L508-L550 HydrophobicContact CD2-CD2 4.34Å; L508-L550 HydrophobicContact CD2-CG 4.49Å; L508-T560 HydrophobicContact CD2-CG2 4.11Å; L508-T560 HydrophobicContact CG-CG2 4.07Å |
| 509 | F | 96.8 | Very high | 96.1 | Very high | 5 Ų | 5 | 18.7 Ų | 18.7 | 2% | 0.022 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.6 | -44.9 | 175.6 | 174.9 | -103.3 | 0 | 0 | 0 | 112.5 | I265 S505 V506 L507 C512 R513 I556 P559 T560 L563 | I265-F509 HydrophobicContact CD1-CD1 4.38Å; I265-F509 HydrophobicContact CD1-CE1 4.08Å; I265-F509 HydrophobicContact CG1-CD1 4.25Å; I265-F509 HydrophobicContact CG1-CE1 4.14Å; S505-F509 PolarHBondContact O-N 3.23Å; S505-F509 VanDerWaalsContact O-N 3.09Å; V506-F509 WeakPolarHBondContact O-CB 3.32Å; V506-F509 PolarHBondContact O-N 2.86Å; L507-F509 VanDerWaalsContact C-N 3.33Å; L507-F509 PolarHBondContact O-N 2.84Å; F509-C512 WeakPolarHBondContact O-CB 3.24Å; F509-C512 PolarHBondContact O-N 3.33Å; F509-R513 VanDerWaalsContact CE1-CD 3.45Å; F509-R513 HydrophobicContact CE1-CG 4.35Å; F509-R513 HydrophobicContact CZ-CG 4.3Å; F509-R513 WeakPolarHBondContact O-CG 3.29Å; F509-R513 PolarHBondContact O-N 3.49Å; F509-I556 HydrophobicContact CB-CD1 3.43Å; F509-I556 VanDerWaalsContact CB-CD1 3.43Å; F509-I556 HydrophobicContact CB-CG1 3.73Å; F509-I556 HydrophobicContact CD1-CD1 3.64Å; F509-I556 HydrophobicContact CD1-CG1 4.12Å; F509-I556 HydrophobicContact CD2-CD1 4.16Å; F509-I556 HydrophobicContact CD2-CG1 3.74Å; F509-I556 HydrophobicContact CE1-CD1 4.37Å; F509-I556 HydrophobicContact CE2-CG1 4.33Å; F509-I556 HydrophobicContact CG-CD1 3.49Å; F509-I556 VanDerWaalsContact CG-CD1 3.49Å; F509-I556 HydrophobicContact CG-CG1 3.61Å; F509-P559 HydrophobicContact CD2-CB 4.43Å; F509-P559 HydrophobicContact CE2-CB 3.8Å; F509-T560 WeakPolarHBondContact CD2-OG1 3.47Å; F509-L563 HydrophobicContact CD2-CD1 3.56Å; F509-L563 HydrophobicContact CE2-CD1 3.46Å; F509-L563 VanDerWaalsContact CE2-CD1 3.46Å; F509-L563 HydrophobicContact CG-CD1 4.48Å; F509-L563 HydrophobicContact CZ-CD1 4.33Å |
| 510 | Q | 96.7 | Very high | 96.2 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 2% | 0.023 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.4 | -41.8 | 178.5 | -72.6 | 168.2 | -43.4 | 0 | 0 | 112.1 | S440 S443 V506 L507 L508 R513 L514 | S440-Q510 PolarHBondContact OG-OE1 2.98Å; S440-Q510 VanDerWaalsContact OG-OE1 3.1Å; S443-Q510 PolarHBondContact OG-O 3.42Å; V506-Q510 HydrophobicContact CG1-CG 4.41Å; V506-Q510 WeakPolarHBondContact O-CG 3.45Å; V506-Q510 PolarHBondContact O-N 2.74Å; V506-Q510 PolarHBondContact O-OE1 2.87Å; L507-Q510 PolarHBondContact O-N 2.81Å; L508-Q510 PolarHBondContact O-N 3.44Å; Q510-R513 PolarHBondContact O-N 3.25Å; Q510-L514 PolarHBondContact O-N 2.85Å |
| 511 | R | 97.4 | Very high | 96.2 | Very high | 9 Ų | 9 | 21.2 Ų | 21.2 | 3% | 0.034 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 173.3 | -74.6 | -179.9 | -177.5 | 135.8 | -8.1 | 111.6 | D436 C439 L507 L508 R513 L514 L515 | D436-R511 IonicContact OD1-CZ 3.21Å; D436-R511 IonicContact OD1-NH2 3.27Å; D436-R511 PolarHBondContact OD1-NH2 3.46Å; D436-R511 IonicContact OD2-NH2 3.56Å; D436-R511 PolarHBondContact OD2-NH2 2.99Å; C439-R511 VanDerWaalsContact SG-CG 3.57Å; L507-R511 WeakPolarHBondContact O-CG 3.44Å; L507-R511 PolarHBondContact O-N 3.13Å; L508-R511 PolarHBondContact O-N 2.94Å; R511-R513 VanDerWaalsContact C-N 3.3Å; R511-R513 PolarHBondContact O-N 3.23Å; R511-L514 WeakPolarHBondContact O-CB 3.45Å; R511-L514 PolarHBondContact O-N 3.33Å; R511-L514 VanDerWaalsContact O-N 3.15Å; R511-L515 WeakPolarHBondContact O-CG 3.48Å; R511-L515 PolarHBondContact O-N 2.87Å |
| 512 | C | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -55.9 | -45 | 174.8 | -73 | 0 | 0 | 0 | 0 | 111.5 | L488 L508 F509 L514 L515 L516 L563 I567 | L488-C512 VanDerWaalsContact CD1-SG 3.51Å; L508-C512 PolarHBondContact O-N 3.02Å; L508-C512 PolarHBondContact O-SG 3.46Å; F509-C512 WeakPolarHBondContact O-CB 3.24Å; F509-C512 PolarHBondContact O-N 3.33Å; C512-L514 PolarHBondContact O-N 3.27Å; C512-L515 PolarHBondContact O-N 3.32Å; C512-L516 VanDerWaalsContact O-CB 3.27Å; C512-L516 WeakPolarHBondContact O-CB 3.39Å; C512-L516 PolarHBondContact O-N 2.89Å; C512-L563 HydrophobicContact CB-CB 3.84Å; C512-L563 HydrophobicContact CB-CD1 3.98Å; C512-I567 HydrophobicContact CB-CD1 3.8Å; C512-I567 VanDerWaalsContact O-CD1 3.3Å; C512-I567 WeakPolarHBondContact O-CD1 3.25Å |
| 513 | R | 95.2 | Very high | 96 | Very high | 25 Ų | 25 | 25.8 Ų | 25.8 | 9% | 0.094 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.5 | -41.5 | 177 | -71.6 | -176.2 | 66.4 | -164.6 | -2.5 | 112.7 | L447 F509 Q510 R511 A517 L563 | L447-R513 VanDerWaalsContact CD1-NH2 3.33Å; F509-R513 VanDerWaalsContact CE1-CD 3.45Å; F509-R513 HydrophobicContact CE1-CG 4.35Å; F509-R513 HydrophobicContact CZ-CG 4.3Å; F509-R513 WeakPolarHBondContact O-CG 3.29Å; F509-R513 PolarHBondContact O-N 3.49Å; Q510-R513 PolarHBondContact O-N 3.25Å; R511-R513 VanDerWaalsContact C-N 3.3Å; R511-R513 PolarHBondContact O-N 3.23Å; R513-A517 WeakPolarHBondContact O-CB 3.48Å; R513-A517 PolarHBondContact O-N 3Å; R513-L563 HydrophobicContact CG-CD1 3.55Å; R513-L563 HydrophobicContact CG-CD2 4.48Å |
| 514 | L | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.9 | -51.5 | 176.5 | 170.4 | 59.9 | 0 | 0 | 0 | 111.4 | L442 L446 F480 I481 Q484 Q510 R511 C512 L516 A517 C518 | L442-L514 HydrophobicContact CD2-CD1 3.46Å; L442-L514 VanDerWaalsContact CD2-CD1 3.46Å; L442-L514 HydrophobicContact CD2-CD2 4.13Å; L442-L514 HydrophobicContact CD2-CG 4.45Å; L442-L514 HydrophobicContact CG-CD1 4Å; L446-L514 HydrophobicContact CD1-CB 4.39Å; L446-L514 HydrophobicContact CD1-CD1 3.69Å; F480-L514 HydrophobicContact CE1-CD2 4.01Å; I481-L514 HydrophobicContact CD1-CD1 4.04Å; I481-L514 HydrophobicContact CD1-CD2 4.1Å; I481-L514 HydrophobicContact CD1-CG 4.16Å; Q484-L514 HydrophobicContact CB-CD2 4.36Å; Q484-L514 HydrophobicContact CG-CD2 3.96Å; Q510-L514 PolarHBondContact O-N 2.85Å; R511-L514 WeakPolarHBondContact O-CB 3.45Å; R511-L514 PolarHBondContact O-N 3.33Å; R511-L514 VanDerWaalsContact O-N 3.15Å; C512-L514 PolarHBondContact O-N 3.27Å; L514-L516 VanDerWaalsContact C-N 3.33Å; L514-L516 PolarHBondContact O-N 3.01Å; L514-A517 WeakPolarHBondContact O-CB 3.12Å; L514-A517 PolarHBondContact O-N 3.35Å; L514-A517 VanDerWaalsContact O-N 3.16Å; L514-C518 PolarHBondContact O-N 2.9Å; L514-C518 PolarHBondContact O-SG 2.81Å |
| 515 | L | 97.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.3 | -39.5 | -179.5 | -63 | -175.5 | 0 | 0 | 0 | 111.8 | I481 A485 L488 R511 C512 A517 C518 L519 L529 F537 I567 | I481-L515 HydrophobicContact CG2-CD2 4.19Å; A485-L515 HydrophobicContact CB-CD1 4.15Å; A485-L515 HydrophobicContact CB-CD2 4.23Å; L488-L515 HydrophobicContact CD1-CD1 3.84Å; R511-L515 WeakPolarHBondContact O-CG 3.48Å; R511-L515 PolarHBondContact O-N 2.87Å; C512-L515 PolarHBondContact O-N 3.32Å; L515-A517 VanDerWaalsContact C-N 3.31Å; L515-A517 PolarHBondContact O-N 3.14Å; L515-C518 WeakPolarHBondContact O-CB 3.39Å; L515-C518 PolarHBondContact O-N 2.68Å; L515-L519 WeakPolarHBondContact O-CG 3.43Å; L515-L519 PolarHBondContact O-N 3.36Å; L515-L529 HydrophobicContact CD2-CD1 4.25Å; L515-L529 HydrophobicContact CD2-CD2 4.14Å; L515-F537 HydrophobicContact CD1-CZ 4.06Å; L515-I567 HydrophobicContact CB-CD1 4.44Å |
| 516 | L | 96.4 | Very high | 96.1 | Very high | 9 Ų | 9 | 23 Ų | 23 | 5% | 0.047 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.9 | -42.1 | 173.9 | -176.9 | 61.5 | 0 | 0 | 0 | 111.4 | C512 L514 C518 L519 Q520 L563 R566 I567 L570 | C512-L516 VanDerWaalsContact O-CB 3.27Å; C512-L516 WeakPolarHBondContact O-CB 3.39Å; C512-L516 PolarHBondContact O-N 2.89Å; L514-L516 VanDerWaalsContact C-N 3.33Å; L514-L516 PolarHBondContact O-N 3.01Å; L516-C518 VanDerWaalsContact C-N 3.34Å; L516-L519 PolarHBondContact O-N 3.22Å; L516-Q520 HydrophobicContact CD1-CG 4.08Å; L516-Q520 HydrophobicContact CG-CG 4.44Å; L516-Q520 WeakPolarHBondContact O-CB 3.3Å; L516-Q520 VanDerWaalsContact O-CG 3.3Å; L516-Q520 WeakPolarHBondContact O-CG 3.14Å; L516-Q520 PolarHBondContact O-N 3.33Å; L516-L563 HydrophobicContact CD2-CD2 3.51Å; L516-R566 HydrophobicContact CD1-CB 4.15Å; L516-I567 HydrophobicContact CB-CD1 4.41Å; L516-I567 HydrophobicContact CB-CG1 3.98Å; L516-I567 HydrophobicContact CD1-CG1 4.25Å; L516-L570 HydrophobicContact CD1-CD1 3.58Å |
| 517 | A | 95.9 | Very high | 96 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.7 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L446 V464 R513 L514 L515 L519 Q520 Y521 | L446-A517 HydrophobicContact CD1-CB 3.91Å; L446-A517 HydrophobicContact CD2-CB 4.19Å; V464-A517 HydrophobicContact CG1-CB 4.15Å; R513-A517 WeakPolarHBondContact O-CB 3.48Å; R513-A517 PolarHBondContact O-N 3Å; L514-A517 WeakPolarHBondContact O-CB 3.12Å; L514-A517 PolarHBondContact O-N 3.35Å; L514-A517 VanDerWaalsContact O-N 3.16Å; L515-A517 VanDerWaalsContact C-N 3.31Å; L515-A517 PolarHBondContact O-N 3.14Å; A517-L519 PolarHBondContact O-N 3.03Å; A517-Q520 PolarHBondContact O-N 3.03Å; A517-Y521 WeakPolarHBondContact O-CB 3.45Å; A517-Y521 WeakPolarHBondContact O-CD2 3.39Å; A517-Y521 PolarHBondContact O-N 2.97Å |
| 518 | C | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.8 | -47.2 | 175.5 | -64.5 | 0 | 0 | 0 | 0 | 111.6 | L514 L515 L516 Q520 S522 L525 L529 | L514-C518 PolarHBondContact O-N 2.9Å; L514-C518 PolarHBondContact O-SG 2.81Å; L515-C518 WeakPolarHBondContact O-CB 3.39Å; L515-C518 PolarHBondContact O-N 2.68Å; L516-C518 VanDerWaalsContact C-N 3.34Å; C518-Q520 VanDerWaalsContact C-N 3.34Å; C518-Q520 PolarHBondContact O-N 2.92Å; C518-S522 PolarHBondContact O-N 2.83Å; C518-S522 VanDerWaalsContact O-O 3.06Å; C518-L525 HydrophobicContact CB-CB 3.91Å; C518-L525 HydrophobicContact CB-CD1 4.13Å; C518-L529 HydrophobicContact CB-CD1 3.91Å |
| 519 | L | 96.4 | Very high | 95.8 | Very high | 19 Ų | 19 | 28.2 Ų | 28.2 | 10% | 0.099 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.8 | -34 | 179.6 | -71.9 | 162.8 | 0 | 0 | 0 | 113.3 | L515 L516 A517 A526 L529 I567 L570 I571 | L515-L519 WeakPolarHBondContact O-CG 3.43Å; L515-L519 PolarHBondContact O-N 3.36Å; L516-L519 PolarHBondContact O-N 3.22Å; A517-L519 PolarHBondContact O-N 3.03Å; L519-A526 HydrophobicContact CD2-CB 4.32Å; L519-L529 HydrophobicContact CD2-CB 4.17Å; L519-L529 HydrophobicContact CD2-CD1 4.16Å; L519-L529 HydrophobicContact CG-CD1 3.99Å; L519-I567 HydrophobicContact CD1-CB 4.36Å; L519-I567 HydrophobicContact CD1-CG1 4.44Å; L519-I567 HydrophobicContact CD1-CG2 3.82Å; L519-L570 HydrophobicContact CB-CB 4.41Å; L519-L570 HydrophobicContact CB-CD1 4.1Å; L519-L570 HydrophobicContact CD1-CB 4.23Å; L519-I571 HydrophobicContact CD1-CD1 4.21Å; L519-I571 HydrophobicContact CD1-CG1 3.87Å; L519-I571 HydrophobicContact CD2-CG1 3.86Å |
| 520 | Q | 94.2 | Very high | 95.7 | Very high | 83 Ų | 83 | 30 Ų | 30 | 39% | 0.388 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -90.3 | -28.9 | -174.6 | -71.9 | -178.8 | -23.7 | 0 | 0 | 114 | L516 A517 C518 L570 | L516-Q520 HydrophobicContact CD1-CG 4.08Å; L516-Q520 HydrophobicContact CG-CG 4.44Å; L516-Q520 WeakPolarHBondContact O-CB 3.3Å; L516-Q520 VanDerWaalsContact O-CG 3.3Å; L516-Q520 WeakPolarHBondContact O-CG 3.14Å; L516-Q520 PolarHBondContact O-N 3.33Å; A517-Q520 PolarHBondContact O-N 3.03Å; C518-Q520 VanDerWaalsContact C-N 3.34Å; C518-Q520 PolarHBondContact O-N 2.92Å; Q520-L570 HydrophobicContact CG-CD1 3.85Å |
| 521 | Y | 93.6 | Very high | 95.6 | Very high | 55 Ų | 55 | 36.7 Ų | 36.7 | 22% | 0.216 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -123.6 | -2.6 | -165.9 | -64.2 | -82 | 0 | 0 | 0 | 114.6 | Y450 R453 V464 S465 A517 | Y450-Y521 AromaticContact CE1-CE2 3.67Å; Y450-Y521 HydrophobicContact CE1-CE2 3.67Å; Y450-Y521 AromaticContact CE1-CZ 3.83Å; Y450-Y521 AromaticContact CZ-CE2 3.92Å; Y450-Y521 WeakPolarHBondContact OH-CE2 3.49Å; R453-Y521 PolarHBondContact NH1-OH 3.41Å; V464-Y521 HydrophobicContact CB-CD1 4.29Å; V464-Y521 HydrophobicContact CB-CD2 4.26Å; V464-Y521 HydrophobicContact CB-CG 4.12Å; V464-Y521 HydrophobicContact CG1-CD1 4.23Å; V464-Y521 HydrophobicContact CG1-CD2 3.51Å; V464-Y521 HydrophobicContact CG1-CE2 4.17Å; V464-Y521 HydrophobicContact CG1-CG 3.57Å; S465-Y521 WeakPolarHBondContact OG-CD1 3.43Å; A517-Y521 WeakPolarHBondContact O-CB 3.45Å; A517-Y521 WeakPolarHBondContact O-CD2 3.39Å; A517-Y521 PolarHBondContact O-N 2.97Å |
| 522 | S | 94.8 | Very high | 95.4 | Very high | 16 Ų | 16 | 39.6 Ų | 39.6 | 11% | 0.112 | 20% | 0.197 | C | C | . | . | trans | -139.6 | 110.5 | 175.4 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | C518 Q524 L525 A526 | C518-S522 PolarHBondContact O-N 2.83Å; C518-S522 VanDerWaalsContact O-O 3.06Å; S522-Q524 VanDerWaalsContact C-N 3.3Å; S522-Q524 PolarHBondContact O-N 3.41Å; S522-L525 PolarHBondContact O-N 3.04Å; S522-L525 WeakPolarHBondContact OG-CG 3.37Å; S522-L525 PolarHBondContact OG-N 3.03Å; S522-A526 VanDerWaalsContact O-CB 3.22Å; S522-A526 WeakPolarHBondContact O-CB 3.48Å; S522-A526 PolarHBondContact O-N 3.35Å | ||
| 523 | N | 93.6 | Very high | 95.3 | Very high | 135 Ų | 135 | 40 Ų | 40 | 72% | 0.722 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -59.5 | -40.2 | 179.2 | -67.7 | -17.9 | 0 | 0 | 0 | 112.3 | A526 Q527 | N523-A526 PolarHBondContact O-N 3.32Å; N523-Q527 WeakPolarHBondContact O-CB 3.3Å; N523-Q527 VanDerWaalsContact O-CG 3.24Å; N523-Q527 WeakPolarHBondContact O-CG 3.37Å; N523-Q527 PolarHBondContact O-N 3.02Å |
| 524 | Q | 94.6 | Very high | 95.1 | Very high | 82 Ų | 82 | 43.3 Ų | 43.3 | 38% | 0.383 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.1 | -46 | 179.7 | -177.1 | -176.6 | -7.5 | 0 | 0 | 111.7 | S522 H528 | S522-Q524 VanDerWaalsContact C-N 3.3Å; S522-Q524 PolarHBondContact O-N 3.41Å; Q524-H528 WeakPolarHBondContact O-CB 3.47Å; Q524-H528 PolarHBondContact O-N 3.07Å |
| 525 | L | 96.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.5 | -36.8 | 178.4 | -62.3 | 177.7 | 0 | 0 | 0 | 111.4 | L468 L477 L478 I481 C518 S522 H528 L529 | L468-L525 HydrophobicContact CD2-CD1 4.26Å; L477-L525 HydrophobicContact CD2-CD1 4.33Å; L477-L525 HydrophobicContact CD2-CD2 4.07Å; L477-L525 HydrophobicContact CG-CD2 4.17Å; L478-L525 HydrophobicContact CD2-CD2 3.7Å; I481-L525 HydrophobicContact CG1-CD2 4.27Å; C518-L525 HydrophobicContact CB-CB 3.91Å; C518-L525 HydrophobicContact CB-CD1 4.13Å; S522-L525 PolarHBondContact O-N 3.04Å; S522-L525 WeakPolarHBondContact OG-CG 3.37Å; S522-L525 PolarHBondContact OG-N 3.03Å; L525-H528 PolarHBondContact O-N 3Å; L525-L529 WeakPolarHBondContact O-CG 3.46Å; L525-L529 PolarHBondContact O-N 2.99Å |
| 526 | A | 96.3 | Very high | 94.6 | Very high | 8 Ų | 8 | 51.9 Ų | 51.9 | 7% | 0.066 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.5 | -49.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L519 S522 N523 H528 L529 Q530 | L519-A526 HydrophobicContact CD2-CB 4.32Å; S522-A526 VanDerWaalsContact O-CB 3.22Å; S522-A526 WeakPolarHBondContact O-CB 3.48Å; S522-A526 PolarHBondContact O-N 3.35Å; N523-A526 PolarHBondContact O-N 3.32Å; A526-H528 VanDerWaalsContact C-N 3.32Å; A526-H528 PolarHBondContact O-N 3.25Å; A526-L529 PolarHBondContact O-N 3.15Å; A526-Q530 WeakPolarHBondContact O-CB 3.44Å; A526-Q530 VanDerWaalsContact O-CG 3.3Å; A526-Q530 WeakPolarHBondContact O-CG 3.35Å; A526-Q530 PolarHBondContact O-N 3.27Å |
| 527 | Q | 94.8 | Very high | 94.3 | Very high | 115 Ų | 115 | 51.5 Ų | 51.5 | 54% | 0.537 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60 | -42 | 175.3 | -74.6 | 173 | -0.5 | 0 | 0 | 111.6 | N523 L529 Q530 L531 | N523-Q527 WeakPolarHBondContact O-CB 3.3Å; N523-Q527 VanDerWaalsContact O-CG 3.24Å; N523-Q527 WeakPolarHBondContact O-CG 3.37Å; N523-Q527 PolarHBondContact O-N 3.02Å; Q527-L529 PolarHBondContact O-N 2.83Å; Q527-Q530 PolarHBondContact O-N 3Å; Q527-L531 WeakPolarHBondContact O-CB 3.48Å; Q527-L531 VanDerWaalsContact O-CG 3.26Å; Q527-L531 WeakPolarHBondContact O-CG 3.43Å; Q527-L531 PolarHBondContact O-N 3.3Å |
| 528 | H | 94.3 | Very high | 94 | Very high | 23 Ų | 23 | 58 Ų | 58 | 11% | 0.106 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59 | -48.6 | 176.2 | -176.3 | 74.6 | 0 | 0 | 0 | 112 | L478 R482 Q524 L525 A526 L531 N532 | L478-H528 HydrophobicContact CD2-CB 3.96Å; R482-H528 PolarHBondContact NH2-CE1 2.92Å; Q524-H528 WeakPolarHBondContact O-CB 3.47Å; Q524-H528 PolarHBondContact O-N 3.07Å; L525-H528 PolarHBondContact O-N 3Å; A526-H528 VanDerWaalsContact C-N 3.32Å; A526-H528 PolarHBondContact O-N 3.25Å; H528-L531 PolarHBondContact O-N 3.15Å; H528-N532 PolarHBondContact CE1-ND2 3.49Å; H528-N532 PolarHBondContact ND1-ND2 3.2Å; H528-N532 WeakPolarHBondContact O-CB 3.32Å; H528-N532 PolarHBondContact O-N 3.08Å; H528-N532 PolarHBondContact O-ND2 3.33Å |
| 529 | L | 95.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 178.6 | -71 | 169.6 | 0 | 0 | 0 | 111.6 | I481 A485 L515 C518 L519 L525 A526 Q527 L531 F533 | I481-L529 HydrophobicContact CG2-CD1 4.39Å; I481-L529 HydrophobicContact CG2-CD2 3.96Å; I481-L529 HydrophobicContact CG2-CG 4.29Å; A485-L529 HydrophobicContact CB-CD2 3.87Å; L515-L529 HydrophobicContact CD2-CD1 4.25Å; L515-L529 HydrophobicContact CD2-CD2 4.14Å; C518-L529 HydrophobicContact CB-CD1 3.91Å; L519-L529 HydrophobicContact CD2-CB 4.17Å; L519-L529 HydrophobicContact CD2-CD1 4.16Å; L519-L529 HydrophobicContact CG-CD1 3.99Å; L525-L529 WeakPolarHBondContact O-CG 3.46Å; L525-L529 PolarHBondContact O-N 2.99Å; A526-L529 PolarHBondContact O-N 3.15Å; Q527-L529 PolarHBondContact O-N 2.83Å; L529-L531 PolarHBondContact O-N 2.75Å; L529-F533 HydrophobicContact CD2-CD2 4.12Å; L529-F533 HydrophobicContact CD2-CE2 4.43Å; L529-F533 WeakPolarHBondContact O-CB 3.25Å; L529-F533 PolarHBondContact O-N 2.9Å |
| 530 | Q | 95.4 | Very high | 93 | Very high | 42 Ų | 42 | 65.3 Ų | 65.3 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 177.9 | -74.6 | 168 | -19.4 | 0 | 0 | 112.3 | A526 Q527 R534 L570 | A526-Q530 WeakPolarHBondContact O-CB 3.44Å; A526-Q530 VanDerWaalsContact O-CG 3.3Å; A526-Q530 WeakPolarHBondContact O-CG 3.35Å; A526-Q530 PolarHBondContact O-N 3.27Å; Q527-Q530 PolarHBondContact O-N 3Å; Q530-R534 WeakPolarHBondContact O-CB 3.27Å; Q530-L570 PolarHBondContact NE2-O 3.21Å; Q530-L570 VanDerWaalsContact NE2-O 3.07Å |
| 531 | L | 93.9 | Very high | 92.9 | Very high | 146 Ų | 146 | 61.5 Ų | 61.5 | 76% | 0.764 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -75.4 | -33.9 | -178 | -69.8 | 171.2 | 0 | 0 | 0 | 113.3 | Q527 H528 L529 | Q527-L531 WeakPolarHBondContact O-CB 3.48Å; Q527-L531 VanDerWaalsContact O-CG 3.26Å; Q527-L531 WeakPolarHBondContact O-CG 3.43Å; Q527-L531 PolarHBondContact O-N 3.3Å; H528-L531 PolarHBondContact O-N 3.15Å; L529-L531 PolarHBondContact O-N 2.75Å |
| 532 | N | 93.6 | Very high | 92.7 | Very high | 70 Ų | 70 | 61.2 Ų | 61.2 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -101.6 | -14.1 | -170.6 | -65.2 | -96.8 | 0 | 0 | 0 | 114.2 | H528 | H528-N532 PolarHBondContact CE1-ND2 3.49Å; H528-N532 PolarHBondContact ND1-ND2 3.2Å; H528-N532 WeakPolarHBondContact O-CB 3.32Å; H528-N532 PolarHBondContact O-N 3.08Å; H528-N532 PolarHBondContact O-ND2 3.33Å |
| 533 | F | 94.1 | Very high | 92.5 | Very high | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -132.2 | 6.7 | -172.8 | -69.7 | -88 | 0 | 0 | 0 | 114.2 | R482 A485 Q486 V489 L529 E535 E536 F537 | R482-F533 HydrophobicContact CB-CE2 4.38Å; R482-F533 HydrophobicContact CB-CZ 4.36Å; R482-F533 HydrophobicContact CG-CE2 3.94Å; R482-F533 HydrophobicContact CG-CZ 3.65Å; R482-F533 WeakPolarHBondContact O-CZ 3.43Å; A485-F533 HydrophobicContact CB-CD1 4Å; A485-F533 HydrophobicContact CB-CD2 4.14Å; A485-F533 HydrophobicContact CB-CE1 3.66Å; A485-F533 HydrophobicContact CB-CE2 3.82Å; A485-F533 HydrophobicContact CB-CG 4.21Å; A485-F533 HydrophobicContact CB-CZ 3.56Å; Q486-F533 HydrophobicContact CG-CE1 3.68Å; Q486-F533 HydrophobicContact CG-CZ 3.82Å; V489-F533 HydrophobicContact CG2-CD1 4.44Å; L529-F533 HydrophobicContact CD2-CD2 4.12Å; L529-F533 HydrophobicContact CD2-CE2 4.43Å; L529-F533 WeakPolarHBondContact O-CB 3.25Å; L529-F533 PolarHBondContact O-N 2.9Å; F533-E535 PolarHBondContact O-N 2.82Å; F533-E536 VanDerWaalsContact C-OE2 3.3Å; F533-E536 VanDerWaalsContact CA-OE2 3.23Å; F533-E536 WeakPolarHBondContact CA-OE2 3.34Å; F533-F537 HydrophobicContact CB-CD2 3.72Å; F533-F537 HydrophobicContact CB-CE2 3.85Å; F533-F537 HydrophobicContact CD1-CE2 4.18Å; F533-F537 HydrophobicContact CG-CE2 4.28Å; F533-F537 WeakPolarHBondContact O-CB 3.46Å; F533-F537 VanDerWaalsContact O-CD2 3.26Å; F533-F537 WeakPolarHBondContact O-CD2 3.44Å; F533-F537 PolarHBondContact O-N 3.3Å |
| 534 | R | 91.8 | Very high | 92.3 | Very high | 95 Ų | 95 | 59.3 Ų | 59.3 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.2 | -46.2 | -176.1 | 173.8 | -178.4 | -168.5 | 148.9 | 14.8 | 112.6 | Q530 R538 I571 S574 | Q530-R534 WeakPolarHBondContact O-CB 3.27Å; R534-R538 WeakPolarHBondContact O-CB 3.49Å; R534-R538 PolarHBondContact O-N 3.04Å; R534-I571 HydrophobicContact CB-CG2 4.38Å; R534-S574 PolarHBondContact NH1-O 3.27Å; R534-S574 PolarHBondContact NH2-O 2.76Å |
| 535 | E | 91.4 | Very high | 92.1 | Very high | 97 Ų | 97 | 56 Ų | 56 | 45% | 0.453 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -71.9 | -43.7 | -176.2 | -61.5 | -52.5 | 130.7 | 0 | 0 | 110.9 | F533 F537 R538 F539 | F533-E535 PolarHBondContact O-N 2.82Å; E535-F537 VanDerWaalsContact C-N 3.33Å; E535-F537 PolarHBondContact O-N 3.46Å; E535-R538 WeakPolarHBondContact O-CB 3.35Å; E535-R538 PolarHBondContact O-N 3.2Å; E535-R538 VanDerWaalsContact O-N 3.09Å; E535-F539 HydrophobicContact CB-CD2 4.44Å; E535-F539 HydrophobicContact CB-CE2 4.47Å; E535-F539 WeakPolarHBondContact O-CD2 3.26Å; E535-F539 PolarHBondContact O-N 2.9Å; E535-F539 WeakPolarHBondContact OE2-CE2 3.33Å |
| 536 | E | 92.1 | Very high | 91.8 | Very high | 84 Ų | 84 | 55.9 Ų | 55.9 | 39% | 0.393 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 176.1 | -63.2 | 89.4 | 156.4 | 0 | 0 | 111.4 | V489 F533 R538 A540 V541 | V489-E536 HydrophobicContact CG1-CB 4.08Å; V489-E536 HydrophobicContact CG2-CB 4.05Å; F533-E536 VanDerWaalsContact C-OE2 3.3Å; F533-E536 VanDerWaalsContact CA-OE2 3.23Å; F533-E536 WeakPolarHBondContact CA-OE2 3.34Å; E536-R538 VanDerWaalsContact C-N 3.32Å; E536-A540 WeakPolarHBondContact O-CA 3.4Å; E536-A540 WeakPolarHBondContact O-CB 3.47Å; E536-A540 PolarHBondContact O-N 3.27Å; E536-V541 PolarHBondContact O-N 3.19Å |
| 537 | F | 91.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 61 Ų | 61 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.9 | -25.8 | 176.9 | -84.8 | -108.8 | 0 | 0 | 0 | 113.1 | L488 V489 L515 F533 E535 V541 I567 V568 I571 | L488-F537 HydrophobicContact CD2-CE1 3.86Å; L488-F537 HydrophobicContact CD2-CZ 3.77Å; V489-F537 HydrophobicContact CG2-CD2 3.95Å; V489-F537 HydrophobicContact CG2-CE2 3.64Å; V489-F537 HydrophobicContact CG2-CZ 4.4Å; L515-F537 HydrophobicContact CD1-CZ 4.06Å; F533-F537 HydrophobicContact CB-CD2 3.72Å; F533-F537 HydrophobicContact CB-CE2 3.85Å; F533-F537 HydrophobicContact CD1-CE2 4.18Å; F533-F537 HydrophobicContact CG-CE2 4.28Å; F533-F537 WeakPolarHBondContact O-CB 3.46Å; F533-F537 VanDerWaalsContact O-CD2 3.26Å; F533-F537 WeakPolarHBondContact O-CD2 3.44Å; F533-F537 PolarHBondContact O-N 3.3Å; E535-F537 VanDerWaalsContact C-N 3.33Å; E535-F537 PolarHBondContact O-N 3.46Å; F537-V541 HydrophobicContact CB-CB 4.4Å; F537-V541 HydrophobicContact CD1-CB 3.87Å; F537-V541 HydrophobicContact CD1-CG1 3.81Å; F537-V541 HydrophobicContact CD1-CG2 4Å; F537-V541 HydrophobicContact CD2-CG2 4.29Å; F537-V541 HydrophobicContact CE1-CB 4.4Å; F537-V541 HydrophobicContact CE1-CG1 4.04Å; F537-V541 HydrophobicContact CE1-CG2 4.23Å; F537-V541 HydrophobicContact CG-CB 4.16Å; F537-V541 HydrophobicContact CG-CG2 4.06Å; F537-I567 HydrophobicContact CD1-CG2 3.91Å; F537-I567 HydrophobicContact CE1-CG2 3.46Å; F537-I567 VanDerWaalsContact CE1-CG2 3.46Å; F537-I567 HydrophobicContact CZ-CG2 4.42Å; F537-V568 HydrophobicContact CD1-CG2 4.39Å; F537-I571 HydrophobicContact CB-CD1 4.17Å; F537-I571 HydrophobicContact CB-CG2 4.18Å; F537-I571 HydrophobicContact CD1-CD1 3.4Å; F537-I571 VanDerWaalsContact CD1-CD1 3.4Å; F537-I571 HydrophobicContact CD2-CD1 4.06Å; F537-I571 HydrophobicContact CE1-CD1 3.66Å; F537-I571 HydrophobicContact CE2-CD1 4.26Å; F537-I571 HydrophobicContact CG-CD1 3.6Å; F537-I571 HydrophobicContact CZ-CD1 4.06Å |
| 538 | R | 88.1 | Confident | 91.4 | Very high | 137 Ų | 137 | 62.8 Ų | 62.8 | 52% | 0.517 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -71 | -41.7 | 175.9 | -179.8 | -178.7 | 176.9 | 89.6 | 1.2 | 111.7 | R534 E535 E536 | R534-R538 WeakPolarHBondContact O-CB 3.49Å; R534-R538 PolarHBondContact O-N 3.04Å; E535-R538 WeakPolarHBondContact O-CB 3.35Å; E535-R538 PolarHBondContact O-N 3.2Å; E535-R538 VanDerWaalsContact O-N 3.09Å; E536-R538 VanDerWaalsContact C-N 3.32Å |
| 539 | F | 86.6 | Confident | 91.2 | Very high | 146 Ų | 146 | 62.1 Ų | 62.1 | 64% | 0.64 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -100.5 | -30.7 | -171.6 | -64.3 | -64.4 | 0 | 0 | 0 | 114.3 | E535 | E535-F539 HydrophobicContact CB-CD2 4.44Å; E535-F539 HydrophobicContact CB-CE2 4.47Å; E535-F539 WeakPolarHBondContact O-CD2 3.26Å; E535-F539 PolarHBondContact O-N 2.9Å; E535-F539 WeakPolarHBondContact OE2-CE2 3.33Å |
| 540 | A | 86.9 | Confident | 91.1 | Very high | 26 Ų | 26 | 62.1 Ų | 62.1 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -24.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V489 S493 E536 S545 | V489-A540 HydrophobicContact CG1-CB 4.48Å; S493-A540 WeakPolarHBondContact OG-CB 3.47Å; E536-A540 WeakPolarHBondContact O-CA 3.4Å; E536-A540 WeakPolarHBondContact O-CB 3.47Å; E536-A540 PolarHBondContact O-N 3.27Å; A540-S545 PolarHBondContact O-OG 2.81Å |
| 541 | V | 90.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | trans | -104.1 | 102.2 | 179.4 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | L488 V489 L492 E536 F537 V564 V568 | L488-V541 HydrophobicContact CD2-CB 4.46Å; L488-V541 HydrophobicContact CD2-CG1 3.89Å; L488-V541 HydrophobicContact CD2-CG2 3.67Å; V489-V541 HydrophobicContact CG2-CG2 3.91Å; L492-V541 HydrophobicContact CD1-CG1 3.8Å; L492-V541 HydrophobicContact CD1-CG2 4.47Å; E536-V541 PolarHBondContact O-N 3.19Å; F537-V541 HydrophobicContact CB-CB 4.4Å; F537-V541 HydrophobicContact CD1-CB 3.87Å; F537-V541 HydrophobicContact CD1-CG1 3.81Å; F537-V541 HydrophobicContact CD1-CG2 4Å; F537-V541 HydrophobicContact CD2-CG2 4.29Å; F537-V541 HydrophobicContact CE1-CB 4.4Å; F537-V541 HydrophobicContact CE1-CG1 4.04Å; F537-V541 HydrophobicContact CE1-CG2 4.23Å; F537-V541 HydrophobicContact CG-CB 4.16Å; F537-V541 HydrophobicContact CG-CG2 4.06Å; V541-V564 HydrophobicContact CG1-CG1 3.73Å; V541-V568 HydrophobicContact CB-CG2 4.46Å; V541-V568 HydrophobicContact CG1-CG2 3.95Å; V541-V568 VanDerWaalsContact O-CG2 3.31Å; V541-V568 WeakPolarHBondContact O-CG2 3.16Å | ||
| 542 | T | 89.4 | Confident | 90.5 | Very high | 50 Ų | 50 | 61.1 Ų | 61.1 | 31% | 0.307 | 31% | 0.307 | S | S | . | . | trans | -127.3 | 156.6 | 177.1 | 67.3 | 0 | 0 | 0 | 0 | 111 | S544 S545 A546 | T542-S544 PolarHBondContact O-N 3.5Å; T542-S545 PolarHBondContact N-OG 2.86Å; T542-S545 PolarHBondContact O-N 2.89Å; T542-S545 PolarHBondContact O-OG 3Å; T542-S545 VanDerWaalsContact O-OG 3.07Å; T542-S545 PolarHBondContact OG1-N 2.8Å; T542-S545 PolarHBondContact OG1-OG 2.85Å; T542-A546 PolarHBondContact O-N 3.17Å; T542-A546 VanDerWaalsContact O-N 3.15Å | ||
| 543 | P | 90.8 | Very high | 90.3 | Very high | 43 Ų | 43 | 66.2 Ų | 66.2 | 28% | 0.279 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -54.5 | -38.5 | 170.9 | -26.7 | 36.2 | 0 | 0 | 0 | 112.2 | A546 E547 V561 Q565 | P543-A546 PolarHBondContact O-N 3.24Å; P543-E547 WeakPolarHBondContact O-CG 3.43Å; P543-E547 PolarHBondContact O-N 2.91Å; P543-V561 HydrophobicContact CB-CG1 3.88Å; P543-Q565 HydrophobicContact CG-CB 4.02Å; P543-Q565 HydrophobicContact CG-CG 4.28Å |
| 544 | S | 89.6 | Confident | 90.3 | Very high | 67 Ų | 67 | 66.3 Ų | 66.3 | 47% | 0.469 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 177.6 | -55.1 | 0 | 0 | 0 | 0 | 112.5 | T542 A546 E547 E548 | T542-S544 PolarHBondContact O-N 3.5Å; S544-A546 VanDerWaalsContact C-N 3.26Å; S544-A546 PolarHBondContact O-N 2.96Å; S544-E547 PolarHBondContact O-N 2.89Å; S544-E547 VanDerWaalsContact O-N 3.08Å; S544-E548 WeakPolarHBondContact O-CG 3.23Å; S544-E548 PolarHBondContact O-N 2.79Å |
| 545 | S | 90.1 | Very high | 90.3 | Very high | 13 Ų | 13 | 64.1 Ų | 64.1 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.7 | -31.8 | 176.3 | 63.1 | 0 | 0 | 0 | 0 | 112.4 | L492 A540 T542 K549 | L492-S545 WeakPolarHBondContact O-CB 3.17Å; A540-S545 PolarHBondContact O-OG 2.81Å; T542-S545 PolarHBondContact N-OG 2.86Å; T542-S545 PolarHBondContact O-N 2.89Å; T542-S545 PolarHBondContact O-OG 3Å; T542-S545 VanDerWaalsContact O-OG 3.07Å; T542-S545 PolarHBondContact OG1-N 2.8Å; T542-S545 PolarHBondContact OG1-OG 2.85Å; S545-K549 WeakPolarHBondContact O-CB 3.26Å; S545-K549 VanDerWaalsContact O-CG 3.28Å; S545-K549 WeakPolarHBondContact O-CG 3.47Å; S545-K549 PolarHBondContact O-N 3.48Å |
| 546 | A | 90.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | L492 T542 P543 S544 K549 L550 V561 V564 | L492-A546 HydrophobicContact CD2-CB 4.07Å; T542-A546 PolarHBondContact O-N 3.17Å; T542-A546 VanDerWaalsContact O-N 3.15Å; P543-A546 PolarHBondContact O-N 3.24Å; S544-A546 VanDerWaalsContact C-N 3.26Å; S544-A546 PolarHBondContact O-N 2.96Å; A546-K549 PolarHBondContact O-N 3.49Å; A546-L550 HydrophobicContact CB-CD1 4.49Å; A546-L550 VanDerWaalsContact O-CB 3.26Å; A546-L550 WeakPolarHBondContact O-CB 3.41Å; A546-L550 WeakPolarHBondContact O-CD1 3.17Å; A546-L550 VanDerWaalsContact O-CG 3.23Å; A546-L550 WeakPolarHBondContact O-CG 3.04Å; A546-L550 PolarHBondContact O-N 2.9Å; A546-V561 HydrophobicContact CB-CG2 4.1Å; A546-V564 HydrophobicContact CB-CG2 4.1Å |
| 547 | E | 91.2 | Very high | 90.5 | Very high | 114 Ų | 114 | 56.1 Ų | 56.1 | 53% | 0.533 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 176.2 | -75.4 | -179.9 | 169.1 | 0 | 0 | 112.6 | P543 S544 L550 V561 | P543-E547 WeakPolarHBondContact O-CG 3.43Å; P543-E547 PolarHBondContact O-N 2.91Å; S544-E547 PolarHBondContact O-N 2.89Å; S544-E547 VanDerWaalsContact O-N 3.08Å; E547-L550 VanDerWaalsContact O-O 3.04Å; E547-V561 HydrophobicContact CG-CB 4.41Å; E547-V561 HydrophobicContact CG-CG1 4.02Å; E547-V561 HydrophobicContact CG-CG2 3.51Å |
| 548 | E | 90.4 | Very high | 90.5 | Very high | 153 Ų | 153 | 61.2 Ų | 61.2 | 72% | 0.715 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.8 | -39.6 | 176.2 | -72.6 | 172.6 | -174 | 0 | 0 | 112.1 | S544 | S544-E548 WeakPolarHBondContact O-CG 3.23Å; S544-E548 PolarHBondContact O-N 2.79Å |
| 549 | K | 91.7 | Very high | 90.7 | Very high | 10 Ų | 10 | 55.5 Ų | 55.5 | 4% | 0.043 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -77.3 | -27.7 | -179.6 | -71 | -66.4 | -177.6 | -177.2 | 0 | 113.9 | V491 L492 D494 S498 L500 S545 A546 | V491-K549 WeakPolarHBondContact O-CE 3.26Å; L492-K549 HydrophobicContact CD2-CB 4.48Å; L492-K549 HydrophobicContact CD2-CG 4.37Å; D494-K549 WeakPolarHBondContact O-CE 3.49Å; D494-K549 PolarHBondContact O-NZ 3.17Å; D494-K549 IonicContact OD2-NZ 3.75Å; D494-K549 PolarHBondContact OD2-NZ 3.31Å; S498-K549 WeakPolarHBondContact O-CD 3.28Å; S498-K549 PolarHBondContact O-NZ 3.41Å; S498-K549 VanDerWaalsContact O-NZ 3.15Å; S498-K549 PolarHBondContact OG-NZ 2.92Å; L500-K549 HydrophobicContact CD1-CB 4.15Å; L500-K549 HydrophobicContact CG-CB 4.2Å; L500-K549 PolarHBondContact N-O 3.07Å; S545-K549 WeakPolarHBondContact O-CB 3.26Å; S545-K549 VanDerWaalsContact O-CG 3.28Å; S545-K549 WeakPolarHBondContact O-CG 3.47Å; S545-K549 PolarHBondContact O-N 3.48Å; A546-K549 PolarHBondContact O-N 3.49Å |
| 550 | L | 93.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -102.5 | 125.1 | -174.1 | -67 | 168 | 0 | 0 | 0 | 111.6 | L500 S505 L508 A546 E547 C557 T560 | L500-L550 HydrophobicContact CD1-CD2 4.16Å; S505-L550 WeakPolarHBondContact OG-CD2 3.38Å; L508-L550 HydrophobicContact CD2-CD1 4.38Å; L508-L550 HydrophobicContact CD2-CD2 4.34Å; L508-L550 HydrophobicContact CD2-CG 4.49Å; A546-L550 HydrophobicContact CB-CD1 4.49Å; A546-L550 VanDerWaalsContact O-CB 3.26Å; A546-L550 WeakPolarHBondContact O-CB 3.41Å; A546-L550 WeakPolarHBondContact O-CD1 3.17Å; A546-L550 VanDerWaalsContact O-CG 3.23Å; A546-L550 WeakPolarHBondContact O-CG 3.04Å; A546-L550 PolarHBondContact O-N 2.9Å; E547-L550 VanDerWaalsContact O-O 3.04Å; L550-C557 HydrophobicContact CB-CB 4.08Å; L550-T560 HydrophobicContact CD1-CG2 3.72Å |
| 551 | Q | 89.8 | Confident | 91.5 | Very high | 41 Ų | 41 | 47.9 Ų | 47.9 | 19% | 0.192 | 25% | 0.249 | C | C | . | . | trans | -63.3 | 134.8 | 178.9 | -62.3 | -179.9 | 2.4 | 0 | 0 | 111.4 | V499 R553 Y554 | V499-Q551 HydrophobicContact CG1-CG 3.17Å; V499-Q551 VanDerWaalsContact CG1-NE2 3.26Å; Q551-R553 HydrophobicContact CB-CG 4Å; Q551-R553 PolarHBondContact O-N 3.13Å; Q551-Y554 HydrophobicContact CB-CD1 3.9Å; Q551-Y554 HydrophobicContact CB-CD2 3.85Å; Q551-Y554 HydrophobicContact CB-CE1 3.94Å; Q551-Y554 HydrophobicContact CB-CE2 3.84Å; Q551-Y554 HydrophobicContact CB-CG 3.89Å; Q551-Y554 HydrophobicContact CG-CD2 4.34Å; Q551-Y554 HydrophobicContact CG-CE1 4.19Å; Q551-Y554 HydrophobicContact CG-CE2 3.83Å; Q551-Y554 PolarHBondContact NE2-OH 3.05Å; Q551-Y554 WeakPolarHBondContact O-CB 3.29Å; Q551-Y554 PolarHBondContact O-N 3.45Å; Q551-Y554 PolarHBondContact OE1-OH 2.75Å | ||
| 552 | P | 87.4 | Confident | 91.7 | Very high | 126 Ų | 126 | 51.8 Ų | 51.8 | 82% | 0.818 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.7 | 178 | -27.4 | 34.8 | 0 | 0 | 0 | 114.1 | Y554 | P552-Y554 VanDerWaalsContact C-N 3.29Å; P552-Y554 PolarHBondContact O-N 3.12Å |
| 553 | R | 89.2 | Confident | 91.9 | Very high | 177 Ų | 177 | 50.6 Ų | 50.6 | 67% | 0.668 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -15.1 | 176 | 68.5 | 178.5 | 177.1 | -172.8 | -3.5 | 113.8 | Q551 P555 | Q551-R553 HydrophobicContact CB-CG 4Å; Q551-R553 PolarHBondContact O-N 3.13Å; R553-P555 WeakPolarHBondContact O-CD 3.26Å |
| 554 | Y | 93.6 | Very high | 92.2 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -76.4 | 120.7 | 177.4 | -63.9 | -12.6 | 0 | 0 | 0 | 109.3 | T268 L271 L500 P502 S505 Q551 P552 I556 C557 | T268-Y554 HydrophobicContact CG2-CD2 4.5Å; T268-Y554 HydrophobicContact CG2-CG 4.28Å; L271-Y554 HydrophobicContact CB-CE1 4.43Å; L271-Y554 HydrophobicContact CD1-CD1 3.33Å; L271-Y554 HydrophobicContact CD1-CE1 3.75Å; L271-Y554 HydrophobicContact CD1-CG 4.41Å; L500-Y554 WeakPolarHBondContact O-CE2 3.47Å; L500-Y554 PolarHBondContact O-OH 2.87Å; L500-Y554 VanDerWaalsContact O-OH 3.04Å; P502-Y554 WeakPolarHBondContact CD-OH 3.4Å; P502-Y554 HydrophobicContact CG-CE1 4.16Å; S505-Y554 WeakPolarHBondContact OG-CD2 3.48Å; S505-Y554 VanDerWaalsContact OG-CE2 3.26Å; S505-Y554 WeakPolarHBondContact OG-CE2 3.46Å; Q551-Y554 HydrophobicContact CB-CD1 3.9Å; Q551-Y554 HydrophobicContact CB-CD2 3.85Å; Q551-Y554 HydrophobicContact CB-CE1 3.94Å; Q551-Y554 HydrophobicContact CB-CE2 3.84Å; Q551-Y554 HydrophobicContact CB-CG 3.89Å; Q551-Y554 HydrophobicContact CG-CD2 4.34Å; Q551-Y554 HydrophobicContact CG-CE1 4.19Å; Q551-Y554 HydrophobicContact CG-CE2 3.83Å; Q551-Y554 PolarHBondContact NE2-OH 3.05Å; Q551-Y554 WeakPolarHBondContact O-CB 3.29Å; Q551-Y554 PolarHBondContact O-N 3.45Å; Q551-Y554 PolarHBondContact OE1-OH 2.75Å; P552-Y554 VanDerWaalsContact C-N 3.29Å; P552-Y554 PolarHBondContact O-N 3.12Å; Y554-I556 PolarHBondContact O-N 2.95Å; Y554-C557 VanDerWaalsContact O-CB 3.27Å; Y554-C557 WeakPolarHBondContact O-CB 3.49Å; Y554-C557 PolarHBondContact O-N 2.9Å |
| 555 | P | 92.3 | Very high | 92.4 | Very high | 48 Ų | 48 | 50.6 Ų | 50.6 | 31% | 0.312 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -26.3 | 176.7 | -29.4 | 38 | 0 | 0 | 0 | 113.3 | V264 T268 R553 C557 P559 | V264-P555 HydrophobicContact CG1-CB 4.25Å; V264-P555 HydrophobicContact CG2-CB 4.32Å; T268-P555 WeakPolarHBondContact OG1-CD 3.27Å; R553-P555 WeakPolarHBondContact O-CD 3.26Å; P555-C557 VanDerWaalsContact C-N 3.33Å; P555-P559 VanDerWaalsContact O-CD 3.3Å; P555-P559 WeakPolarHBondContact O-CD 3.4Å |
| 556 | I | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -11.5 | -179.1 | -150.1 | 161.4 | 0 | 0 | 0 | 114.6 | V264 I265 T268 V506 F509 Y554 P559 T560 | V264-I556 HydrophobicContact CG1-CB 3.58Å; V264-I556 HydrophobicContact CG1-CD1 4.25Å; V264-I556 HydrophobicContact CG1-CG1 3.63Å; I265-I556 HydrophobicContact CG1-CD1 4.13Å; T268-I556 HydrophobicContact CG2-CG2 3.9Å; T268-I556 WeakPolarHBondContact OG1-CB 3.39Å; T268-I556 WeakPolarHBondContact OG1-CG2 3.43Å; T268-I556 PolarHBondContact OG1-N 3.23Å; V506-I556 HydrophobicContact CB-CD1 4.36Å; V506-I556 HydrophobicContact CG2-CD1 3.84Å; F509-I556 HydrophobicContact CB-CD1 3.43Å; F509-I556 VanDerWaalsContact CB-CD1 3.43Å; F509-I556 HydrophobicContact CB-CG1 3.73Å; F509-I556 HydrophobicContact CD1-CD1 3.64Å; F509-I556 HydrophobicContact CD1-CG1 4.12Å; F509-I556 HydrophobicContact CD2-CD1 4.16Å; F509-I556 HydrophobicContact CD2-CG1 3.74Å; F509-I556 HydrophobicContact CE1-CD1 4.37Å; F509-I556 HydrophobicContact CE2-CG1 4.33Å; F509-I556 HydrophobicContact CG-CD1 3.49Å; F509-I556 VanDerWaalsContact CG-CD1 3.49Å; F509-I556 HydrophobicContact CG-CG1 3.61Å; Y554-I556 PolarHBondContact O-N 2.95Å; I556-P559 WeakPolarHBondContact O-CD 3.4Å; I556-T560 WeakPolarHBondContact O-CB 3.25Å; I556-T560 PolarHBondContact O-N 3.24Å; I556-T560 PolarHBondContact O-OG1 3.16Å |
| 557 | C | 93.6 | Very high | 92.9 | Very high | 13 Ų | 13 | 57.2 Ų | 57.2 | 9% | 0.088 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.2 | -64 | -175.7 | 176.3 | 0 | 0 | 0 | 0 | 111.5 | L550 Y554 P555 T560 V561 | L550-C557 HydrophobicContact CB-CB 4.08Å; Y554-C557 VanDerWaalsContact O-CB 3.27Å; Y554-C557 WeakPolarHBondContact O-CB 3.49Å; Y554-C557 PolarHBondContact O-N 2.9Å; P555-C557 VanDerWaalsContact C-N 3.33Å; C557-T560 PolarHBondContact O-N 3.28Å; C557-T560 VanDerWaalsContact O-N 3.08Å; C557-V561 WeakPolarHBondContact O-CG2 3.35Å; C557-V561 PolarHBondContact O-N 3.22Å |
| 558 | K | 91.3 | Very high | 93.1 | Very high | 108 Ų | 108 | 52.6 Ų | 52.6 | 47% | 0.47 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.8 | -46.6 | -179.2 | -64.5 | -169.4 | 177.9 | -166.8 | 0 | 113.4 | T560 V561 R562 | K558-T560 VanDerWaalsContact C-N 3.29Å; K558-T560 PolarHBondContact O-N 2.79Å; K558-V561 PolarHBondContact O-N 3.49Å; K558-R562 WeakPolarHBondContact O-CG 3.22Å; K558-R562 PolarHBondContact O-N 3.25Å; K558-R562 VanDerWaalsContact O-N 3.13Å |
| 559 | P | 92.7 | Very high | 93.3 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.4 | -40.5 | 174.6 | -28.6 | 36.5 | 0 | 0 | 0 | 113.6 | W260 V264 F509 P555 I556 L563 | W260-P559 HydrophobicContact CZ2-CG 4.44Å; V264-P559 HydrophobicContact CG1-CG 4.39Å; F509-P559 HydrophobicContact CD2-CB 4.43Å; F509-P559 HydrophobicContact CE2-CB 3.8Å; P555-P559 VanDerWaalsContact O-CD 3.3Å; P555-P559 WeakPolarHBondContact O-CD 3.4Å; I556-P559 WeakPolarHBondContact O-CD 3.4Å; P559-L563 WeakPolarHBondContact O-CG 3.48Å; P559-L563 PolarHBondContact O-N 3.24Å; P559-L563 VanDerWaalsContact O-N 3.16Å |
| 560 | T | 95.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.3 | -44.3 | 179.7 | -53.1 | 0 | 0 | 0 | 0 | 111.6 | L508 F509 L550 I556 C557 K558 R562 L563 V564 | L508-T560 HydrophobicContact CD2-CG2 4.11Å; L508-T560 HydrophobicContact CG-CG2 4.07Å; F509-T560 WeakPolarHBondContact CD2-OG1 3.47Å; L550-T560 HydrophobicContact CD1-CG2 3.72Å; I556-T560 WeakPolarHBondContact O-CB 3.25Å; I556-T560 PolarHBondContact O-N 3.24Å; I556-T560 PolarHBondContact O-OG1 3.16Å; C557-T560 PolarHBondContact O-N 3.28Å; C557-T560 VanDerWaalsContact O-N 3.08Å; K558-T560 VanDerWaalsContact C-N 3.29Å; K558-T560 PolarHBondContact O-N 2.79Å; T560-R562 VanDerWaalsContact C-N 3.32Å; T560-R562 PolarHBondContact O-N 3.3Å; T560-L563 WeakPolarHBondContact O-CB 3.32Å; T560-L563 PolarHBondContact O-N 2.77Å; T560-L563 VanDerWaalsContact O-N 3.08Å; T560-V564 WeakPolarHBondContact O-CG2 3.46Å; T560-V564 PolarHBondContact O-N 3.31Å |
| 561 | V | 94.9 | Very high | 93.4 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.4 | -42.9 | 178 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | P543 A546 E547 C557 K558 L563 V564 Q565 | P543-V561 HydrophobicContact CB-CG1 3.88Å; A546-V561 HydrophobicContact CB-CG2 4.1Å; E547-V561 HydrophobicContact CG-CB 4.41Å; E547-V561 HydrophobicContact CG-CG1 4.02Å; E547-V561 HydrophobicContact CG-CG2 3.51Å; C557-V561 WeakPolarHBondContact O-CG2 3.35Å; C557-V561 PolarHBondContact O-N 3.22Å; K558-V561 PolarHBondContact O-N 3.49Å; V561-L563 VanDerWaalsContact C-N 3.33Å; V561-L563 PolarHBondContact O-N 2.82Å; V561-V564 PolarHBondContact O-N 2.95Å; V561-Q565 PolarHBondContact O-N 3.03Å |
| 562 | R | 93.4 | Very high | 93.2 | Very high | 84 Ų | 84 | 51.2 Ų | 51.2 | 32% | 0.317 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.8 | -38.8 | 174.6 | -69.2 | -175.2 | -165 | 153.1 | 9.6 | 112.6 | R82 D83 K558 T560 R566 | R82-R562 VanDerWaalsContact O-CZ 3.31Å; R82-R562 PolarHBondContact O-NH1 3.48Å; R82-R562 PolarHBondContact O-NH2 2.98Å; D83-R562 IonicContact OD1-NH1 3.24Å; D83-R562 PolarHBondContact OD1-NH1 3.02Å; D83-R562 IonicContact OD2-CZ 2.7Å; D83-R562 IonicContact OD2-NH1 2.98Å; D83-R562 PolarHBondContact OD2-NH1 3.24Å; K558-R562 WeakPolarHBondContact O-CG 3.22Å; K558-R562 PolarHBondContact O-N 3.25Å; K558-R562 VanDerWaalsContact O-N 3.13Å; T560-R562 VanDerWaalsContact C-N 3.32Å; T560-R562 PolarHBondContact O-N 3.3Å; R562-R566 WeakPolarHBondContact O-CG 3.07Å; R562-R566 PolarHBondContact O-N 2.68Å; R562-R566 VanDerWaalsContact O-N 3.1Å |
| 563 | L | 95 | Very high | 92.6 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.3 | -44.9 | 175.7 | -68.8 | 172.3 | 0 | 0 | 0 | 111.1 | F509 C512 R513 L516 P559 T560 V561 Q565 R566 I567 | F509-L563 HydrophobicContact CD2-CD1 3.56Å; F509-L563 HydrophobicContact CE2-CD1 3.46Å; F509-L563 VanDerWaalsContact CE2-CD1 3.46Å; F509-L563 HydrophobicContact CG-CD1 4.48Å; F509-L563 HydrophobicContact CZ-CD1 4.33Å; C512-L563 HydrophobicContact CB-CB 3.84Å; C512-L563 HydrophobicContact CB-CD1 3.98Å; R513-L563 HydrophobicContact CG-CD1 3.55Å; R513-L563 HydrophobicContact CG-CD2 4.48Å; L516-L563 HydrophobicContact CD2-CD2 3.51Å; P559-L563 WeakPolarHBondContact O-CG 3.48Å; P559-L563 PolarHBondContact O-N 3.24Å; P559-L563 VanDerWaalsContact O-N 3.16Å; T560-L563 WeakPolarHBondContact O-CB 3.32Å; T560-L563 PolarHBondContact O-N 2.77Å; T560-L563 VanDerWaalsContact O-N 3.08Å; V561-L563 VanDerWaalsContact C-N 3.33Å; V561-L563 PolarHBondContact O-N 2.82Å; L563-Q565 VanDerWaalsContact C-N 3.35Å; L563-Q565 PolarHBondContact O-N 3.43Å; L563-R566 PolarHBondContact O-N 2.84Å; L563-I567 WeakPolarHBondContact O-CD1 3.49Å; L563-I567 VanDerWaalsContact O-CG1 3.23Å; L563-I567 WeakPolarHBondContact O-CG1 3.3Å; L563-I567 PolarHBondContact O-N 3.38Å |
| 564 | V | 95.9 | Very high | 91 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57 | -49 | 176 | 171 | 0 | 0 | 0 | 0 | 110.5 | L492 V541 A546 T560 V561 R566 I567 V568 | L492-V564 HydrophobicContact CD1-CG2 4.27Å; V541-V564 HydrophobicContact CG1-CG1 3.73Å; A546-V564 HydrophobicContact CB-CG2 4.1Å; T560-V564 WeakPolarHBondContact O-CG2 3.46Å; T560-V564 PolarHBondContact O-N 3.31Å; V561-V564 PolarHBondContact O-N 2.95Å; V564-R566 VanDerWaalsContact C-N 3.31Å; V564-R566 PolarHBondContact O-N 2.75Å; V564-I567 PolarHBondContact O-N 3.02Å; V564-V568 HydrophobicContact CG1-CG2 4.31Å; V564-V568 WeakPolarHBondContact O-CG2 3.43Å; V564-V568 PolarHBondContact O-N 2.81Å |
| 565 | Q | 95.1 | Very high | 90.9 | Very high | 109 Ų | 109 | 52.2 Ų | 52.2 | 51% | 0.509 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56.1 | -44.6 | 177.2 | -172.4 | -178.1 | 8.9 | 0 | 0 | 112.3 | P543 V561 L563 T569 | P543-Q565 HydrophobicContact CG-CB 4.02Å; P543-Q565 HydrophobicContact CG-CG 4.28Å; V561-Q565 PolarHBondContact O-N 3.03Å; L563-Q565 VanDerWaalsContact C-N 3.35Å; L563-Q565 PolarHBondContact O-N 3.43Å; Q565-T569 WeakPolarHBondContact O-CB 3.48Å; Q565-T569 PolarHBondContact O-N 3.22Å; Q565-T569 PolarHBondContact O-OG1 3.35Å |
| 566 | R | 95.3 | Very high | 90.8 | Very high | 152 Ų | 152 | 52.4 Ų | 52.4 | 57% | 0.574 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.8 | -42.7 | 177.3 | -79.3 | -178.6 | 151 | -170 | -3.6 | 112.8 | L516 R562 L563 V564 T569 L570 | L516-R566 HydrophobicContact CD1-CB 4.15Å; R562-R566 WeakPolarHBondContact O-CG 3.07Å; R562-R566 PolarHBondContact O-N 2.68Å; R562-R566 VanDerWaalsContact O-N 3.1Å; L563-R566 PolarHBondContact O-N 2.84Å; V564-R566 VanDerWaalsContact C-N 3.31Å; V564-R566 PolarHBondContact O-N 2.75Å; R566-T569 PolarHBondContact O-N 3.24Å; R566-L570 WeakPolarHBondContact O-CG 3.24Å; R566-L570 PolarHBondContact O-N 2.7Å |
| 567 | I | 96 | Very high | 90.6 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.7 | -50.5 | 179.1 | -68.4 | 161.8 | 0 | 0 | 0 | 110.1 | C512 L515 L516 L519 F537 L563 V564 T569 L570 I571 | C512-I567 HydrophobicContact CB-CD1 3.8Å; C512-I567 VanDerWaalsContact O-CD1 3.3Å; C512-I567 WeakPolarHBondContact O-CD1 3.25Å; L515-I567 HydrophobicContact CB-CD1 4.44Å; L516-I567 HydrophobicContact CB-CD1 4.41Å; L516-I567 HydrophobicContact CB-CG1 3.98Å; L516-I567 HydrophobicContact CD1-CG1 4.25Å; L519-I567 HydrophobicContact CD1-CB 4.36Å; L519-I567 HydrophobicContact CD1-CG1 4.44Å; L519-I567 HydrophobicContact CD1-CG2 3.82Å; F537-I567 HydrophobicContact CD1-CG2 3.91Å; F537-I567 HydrophobicContact CE1-CG2 3.46Å; F537-I567 VanDerWaalsContact CE1-CG2 3.46Å; F537-I567 HydrophobicContact CZ-CG2 4.42Å; L563-I567 WeakPolarHBondContact O-CD1 3.49Å; L563-I567 VanDerWaalsContact O-CG1 3.23Å; L563-I567 WeakPolarHBondContact O-CG1 3.3Å; L563-I567 PolarHBondContact O-N 3.38Å; V564-I567 PolarHBondContact O-N 3.02Å; I567-T569 VanDerWaalsContact C-N 3.29Å; I567-T569 PolarHBondContact O-N 2.92Å; I567-L570 PolarHBondContact O-N 3.07Å; I567-L570 VanDerWaalsContact O-N 3.1Å; I567-I571 HydrophobicContact CG2-CD1 3.64Å; I567-I571 HydrophobicContact CG2-CG1 4.36Å; I567-I571 WeakPolarHBondContact O-CG1 3.3Å; I567-I571 PolarHBondContact O-N 3.07Å |
| 568 | V | 94.3 | Very high | 90.4 | Very high | 16 Ų | 16 | 57.8 Ų | 57.8 | 10% | 0.097 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.8 | -45 | 177.7 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | F537 V541 V564 L570 I571 Q572 | F537-V568 HydrophobicContact CD1-CG2 4.39Å; V541-V568 HydrophobicContact CB-CG2 4.46Å; V541-V568 HydrophobicContact CG1-CG2 3.95Å; V541-V568 VanDerWaalsContact O-CG2 3.31Å; V541-V568 WeakPolarHBondContact O-CG2 3.16Å; V564-V568 HydrophobicContact CG1-CG2 4.31Å; V564-V568 WeakPolarHBondContact O-CG2 3.43Å; V564-V568 PolarHBondContact O-N 2.81Å; V568-L570 VanDerWaalsContact C-N 3.34Å; V568-L570 PolarHBondContact O-N 2.88Å; V568-I571 PolarHBondContact O-N 3.1Å; V568-Q572 HydrophobicContact CG1-CG 4.34Å; V568-Q572 VanDerWaalsContact CG1-NE2 3.29Å; V568-Q572 WeakPolarHBondContact O-CB 3.25Å; V568-Q572 VanDerWaalsContact O-CG 3.25Å; V568-Q572 WeakPolarHBondContact O-CG 3.44Å; V568-Q572 PolarHBondContact O-N 3.44Å |
| 569 | T | 94.1 | Very high | 90.4 | Very high | 53 Ų | 53 | 54.7 Ų | 54.7 | 33% | 0.325 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.4 | -42.4 | 177.2 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | Q565 R566 I567 R573 | Q565-T569 WeakPolarHBondContact O-CB 3.48Å; Q565-T569 PolarHBondContact O-N 3.22Å; Q565-T569 PolarHBondContact O-OG1 3.35Å; R566-T569 PolarHBondContact O-N 3.24Å; I567-T569 VanDerWaalsContact C-N 3.29Å; I567-T569 PolarHBondContact O-N 2.92Å; T569-R573 WeakPolarHBondContact O-CG 3.38Å; T569-R573 PolarHBondContact O-N 3.02Å |
| 570 | L | 94.3 | Very high | 90.2 | Very high | 42 Ų | 42 | 57.2 Ų | 57.2 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74.8 | -33.1 | -179.2 | -71.9 | 173.1 | 0 | 0 | 0 | 113.1 | L516 L519 Q520 Q530 R566 I567 V568 | L516-L570 HydrophobicContact CD1-CD1 3.58Å; L519-L570 HydrophobicContact CB-CB 4.41Å; L519-L570 HydrophobicContact CB-CD1 4.1Å; L519-L570 HydrophobicContact CD1-CB 4.23Å; Q520-L570 HydrophobicContact CG-CD1 3.85Å; Q530-L570 PolarHBondContact NE2-O 3.21Å; Q530-L570 VanDerWaalsContact NE2-O 3.07Å; R566-L570 WeakPolarHBondContact O-CG 3.24Å; R566-L570 PolarHBondContact O-N 2.7Å; I567-L570 PolarHBondContact O-N 3.07Å; I567-L570 VanDerWaalsContact O-N 3.1Å; V568-L570 VanDerWaalsContact C-N 3.34Å; V568-L570 PolarHBondContact O-N 2.88Å |
| 571 | I | 92.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.2 | -35.6 | 175.9 | -71 | 174.7 | 0 | 0 | 0 | 110.8 | L519 R534 F537 I567 V568 S574 | L519-I571 HydrophobicContact CD1-CD1 4.21Å; L519-I571 HydrophobicContact CD1-CG1 3.87Å; L519-I571 HydrophobicContact CD2-CG1 3.86Å; R534-I571 HydrophobicContact CB-CG2 4.38Å; F537-I571 HydrophobicContact CB-CD1 4.17Å; F537-I571 HydrophobicContact CB-CG2 4.18Å; F537-I571 HydrophobicContact CD1-CD1 3.4Å; F537-I571 VanDerWaalsContact CD1-CD1 3.4Å; F537-I571 HydrophobicContact CD2-CD1 4.06Å; F537-I571 HydrophobicContact CE1-CD1 3.66Å; F537-I571 HydrophobicContact CE2-CD1 4.26Å; F537-I571 HydrophobicContact CG-CD1 3.6Å; F537-I571 HydrophobicContact CZ-CD1 4.06Å; I567-I571 HydrophobicContact CG2-CD1 3.64Å; I567-I571 HydrophobicContact CG2-CG1 4.36Å; I567-I571 WeakPolarHBondContact O-CG1 3.3Å; I567-I571 PolarHBondContact O-N 3.07Å; V568-I571 PolarHBondContact O-N 3.1Å; I571-S574 PolarHBondContact O-OG 3.48Å |
| 572 | Q | 85.6 | Confident | 89.4 | Confident | 80 Ų | 80 | 65 Ų | 65 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -82.3 | -15.1 | -177.6 | -69.8 | 177.5 | -2.8 | 0 | 0 | 114.7 | V568 S574 | V568-Q572 HydrophobicContact CG1-CG 4.34Å; V568-Q572 VanDerWaalsContact CG1-NE2 3.29Å; V568-Q572 WeakPolarHBondContact O-CB 3.25Å; V568-Q572 VanDerWaalsContact O-CG 3.25Å; V568-Q572 WeakPolarHBondContact O-CG 3.44Å; V568-Q572 PolarHBondContact O-N 3.44Å; Q572-S574 PolarHBondContact O-N 2.77Å |
| 573 | R | 75.2 | Confident | 89.1 | Confident | 192 Ų | 192 | 63.4 Ų | 63.4 | 73% | 0.725 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -3.7 | -176.3 | -90.2 | 174.5 | -179.5 | -173 | 1.3 | 115.2 | T569 | T569-R573 WeakPolarHBondContact O-CG 3.38Å; T569-R573 PolarHBondContact O-N 3.02Å |
| 574 | S | 55.6 | Low | 88.6 | Confident | 90 Ų | 90 | 67 Ų | 67 | 63% | 0.629 | 32% | 0.315 | S | S | * | . | trans | -93.8 | 0 | -179.9 | 62.2 | 0 | 0 | 0 | 0 | 113.6 | R534 I571 Q572 | R534-S574 PolarHBondContact NH1-O 3.27Å; R534-S574 PolarHBondContact NH2-O 2.76Å; I571-S574 PolarHBondContact O-OG 3.48Å; Q572-S574 PolarHBondContact O-N 2.77Å |
Retrieved 574 of 574 residues in 1328.7 ms
(Link to these results)