| 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 | 36.7 | Very low | 47.4 | Very low | 243 Ų | 243 | 131.4 Ų | 131.4 | 100% | 1.197 | 76% | 0.761 | S | S | * | * | 0 | 33.4 | 0 | -153.3 | 175.5 | 166.7 | 0 | 0 | 112.5 | |||||
| 2 | L | 36 | Very low | 47.9 | Very low | 182 Ų | 182 | 136.8 Ų | 136.8 | 95% | 0.953 | 76% | 0.759 | S | S | * | * | trans | -145.9 | 58 | 176.6 | -90.8 | 167 | 0 | 0 | 0 | 109.3 | ||||
| 3 | Q | 40.5 | Very low | 48.5 | Very low | 204 Ų | 204 | 135.4 Ų | 135.4 | 95% | 0.953 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -139.3 | 31.3 | 175 | -143.4 | 175.4 | 7.4 | 0 | 0 | 111.1 | ||
| 4 | S | 49.7 | Very low | 49 | Very low | 102 Ų | 102 | 132 Ų | 132 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -131.6 | -1.3 | -162.8 | -168.9 | 0 | 0 | 0 | 0 | 117.4 | ||
| 5 | L | 44.6 | Very low | 49.6 | Very low | 175 Ų | 175 | 132.5 Ų | 132.5 | 92% | 0.916 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -133 | 16.7 | -167.6 | -73.3 | 170.6 | 0 | 0 | 0 | 117.5 | ||
| 6 | A | 44 | Very low | 50.5 | Low | 83 Ų | 83 | 133.3 Ų | 133.3 | 69% | 0.686 | 73% | 0.726 | S | S | * | * | trans | -144.6 | 29.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N8 | A6-N8 PolarHBondContact O-N 3.19Å; A6-N8 VanDerWaalsContact O-N 3.1Å | ||
| 7 | S | 49.5 | Very low | 51.7 | Low | 100 Ų | 100 | 130.8 Ų | 130.8 | 70% | 0.699 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -85.2 | 69.2 | 161.8 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | S9 | S7-S9 PolarHBondContact O-N 3.1Š|
| 8 | N | 51.1 | Low | 53.1 | Low | 99 Ų | 99 | 129.7 Ų | 129.7 | 53% | 0.529 | 70% | 0.695 | S | S | . | * | trans | 8 | 106.2 | 161.4 | -63.6 | -27.8 | 0 | 0 | 0 | 115.7 | A6 C10 V11 R12 | A6-N8 PolarHBondContact O-N 3.19Å; A6-N8 VanDerWaalsContact O-N 3.1Å; N8-C10 PolarHBondContact O-N 3.46Å; N8-V11 HydrophobicContact CB-CB 4.12Å; N8-V11 HydrophobicContact CB-CG2 3.67Å; N8-V11 WeakPolarHBondContact O-CB 3.38Å; N8-V11 PolarHBondContact O-N 3.18Å; N8-R12 PolarHBondContact O-N 3.49Å | ||
| 9 | S | 57.9 | Low | 54.4 | Low | 110 Ų | 110 | 124.3 Ų | 124.3 | 77% | 0.769 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -47.5 | -30.3 | 165.1 | -81.7 | 0 | 0 | 0 | 0 | 112.7 | S7 R12 L13 | S7-S9 PolarHBondContact O-N 3.1Å; S9-R12 PolarHBondContact O-N 3.42Å; S9-L13 WeakPolarHBondContact O-CB 3.26Å; S9-L13 PolarHBondContact O-N 3.18Å |
| 10 | C | 54.3 | Low | 55.9 | Low | 85 Ų | 85 | 121.4 Ų | 121.4 | 57% | 0.574 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -62.1 | -40.2 | 174.1 | -160.5 | 0 | 0 | 0 | 0 | 112.8 | N8 L13 I14 | N8-C10 PolarHBondContact O-N 3.46Å; C10-L13 PolarHBondContact O-N 3.15Å; C10-I14 WeakPolarHBondContact O-CB 3.25Å; C10-I14 WeakPolarHBondContact O-CD1 3.44Å; C10-I14 WeakPolarHBondContact O-CG1 3.16Å; C10-I14 PolarHBondContact O-N 3.43Å |
| 11 | V | 56.8 | Low | 57.3 | Low | 62 Ų | 62 | 123.2 Ų | 123.2 | 38% | 0.376 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -67.9 | -40.2 | 176.8 | 175 | 0 | 0 | 0 | 0 | 110.7 | N8 I14 Q15 | N8-V11 HydrophobicContact CB-CB 4.12Å; N8-V11 HydrophobicContact CB-CG2 3.67Å; N8-V11 WeakPolarHBondContact O-CB 3.38Å; N8-V11 PolarHBondContact O-N 3.18Å; V11-I14 PolarHBondContact O-N 2.82Å; V11-Q15 VanDerWaalsContact O-CB 3.32Å; V11-Q15 WeakPolarHBondContact O-CB 3.46Å; V11-Q15 PolarHBondContact O-N 3.35Å |
| 12 | R | 53.9 | Low | 59.6 | Low | 197 Ų | 197 | 115.5 Ų | 115.5 | 74% | 0.743 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.3 | -38.7 | 173.6 | -97.8 | -179.8 | 175.8 | -177 | -1.8 | 112.9 | N8 S9 Q15 N16 | N8-R12 PolarHBondContact O-N 3.49Å; S9-R12 PolarHBondContact O-N 3.42Å; R12-Q15 PolarHBondContact O-N 3.46Å; R12-N16 PolarHBondContact O-N 2.89Å |
| 13 | L | 55.2 | Low | 62.1 | Low | 118 Ų | 118 | 111.8 Ų | 111.8 | 62% | 0.618 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.6 | -42.2 | 176.8 | -154.9 | 102.5 | 0 | 0 | 0 | 111.8 | S9 C10 Q15 N16 H17 | S9-L13 WeakPolarHBondContact O-CB 3.26Å; S9-L13 PolarHBondContact O-N 3.18Å; C10-L13 PolarHBondContact O-N 3.15Å; L13-Q15 VanDerWaalsContact C-N 3.29Å; L13-Q15 PolarHBondContact O-N 3.02Å; L13-N16 PolarHBondContact O-N 2.93Å; L13-H17 PolarHBondContact O-CD2 3.33Å; L13-H17 PolarHBondContact O-N 2.97Å; L13-H17 VanDerWaalsContact O-N 3.16Å |
| 14 | I | 55.2 | Low | 64.4 | Low | 88 Ų | 88 | 105.5 Ų | 105.5 | 45% | 0.451 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.6 | -37.6 | 174.2 | -70.7 | 163.9 | 0 | 0 | 0 | 110.9 | C10 V11 H17 K18 | C10-I14 WeakPolarHBondContact O-CB 3.25Å; C10-I14 WeakPolarHBondContact O-CD1 3.44Å; C10-I14 WeakPolarHBondContact O-CG1 3.16Å; C10-I14 PolarHBondContact O-N 3.43Å; V11-I14 PolarHBondContact O-N 2.82Å; I14-H17 PolarHBondContact O-N 2.82Å; I14-K18 PolarHBondContact O-N 3Å; I14-K18 VanDerWaalsContact O-N 3.11Å |
| 15 | Q | 58.8 | Low | 66.4 | Low | 139 Ų | 139 | 104.3 Ų | 104.3 | 65% | 0.65 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -72 | -33.6 | -179.8 | -148.2 | 143.2 | -15 | 0 | 0 | 112.5 | V11 R12 L13 | V11-Q15 VanDerWaalsContact O-CB 3.32Å; V11-Q15 WeakPolarHBondContact O-CB 3.46Å; V11-Q15 PolarHBondContact O-N 3.35Å; R12-Q15 PolarHBondContact O-N 3.46Å; L13-Q15 VanDerWaalsContact C-N 3.29Å; L13-Q15 PolarHBondContact O-N 3.02Å |
| 16 | N | 63.7 | Low | 68.6 | Low | 146 Ų | 146 | 100 Ų | 100 | 78% | 0.781 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -72.2 | -31.5 | 174.1 | -102.2 | 12.8 | 0 | 0 | 0 | 113.4 | R12 L13 | R12-N16 PolarHBondContact O-N 2.89Å; L13-N16 PolarHBondContact O-N 2.93Å |
| 17 | H | 70.8 | Confident | 71 | Confident | 91 Ų | 91 | 99.7 Ų | 99.7 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 16.9 | -179.1 | -70.6 | -73.7 | 0 | 0 | 0 | 114.3 | L13 I14 S19 T20 W21 | L13-H17 PolarHBondContact O-CD2 3.33Å; L13-H17 PolarHBondContact O-N 2.97Å; L13-H17 VanDerWaalsContact O-N 3.16Å; I14-H17 PolarHBondContact O-N 2.82Å; H17-S19 VanDerWaalsContact C-N 3.29Å; H17-S19 PolarHBondContact O-N 3.36Å; H17-T20 WeakPolarHBondContact O-CA 3.34Å; H17-T20 VanDerWaalsContact O-CB 3.31Å; H17-T20 WeakPolarHBondContact O-CB 3.35Å; H17-T20 PolarHBondContact O-N 2.89Å; H17-W21 VanDerWaalsContact O-CD1 3.3Å; H17-W21 PolarHBondContact O-N 2.92Å |
| 18 | K | 77.9 | Confident | 73.2 | Confident | 111 Ų | 111 | 99.6 Ų | 99.6 | 48% | 0.483 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -54.9 | -41.4 | -174 | -167.6 | 178.8 | -179.5 | 178.1 | 0 | 113.3 | I14 W21 Y22 | I14-K18 PolarHBondContact O-N 3Å; I14-K18 VanDerWaalsContact O-N 3.11Å; K18-W21 PolarHBondContact O-N 3.22Å; K18-Y22 HydrophobicContact CD-CE2 3.98Å; K18-Y22 WeakPolarHBondContact CE-OH 3.39Å; K18-Y22 HydrophobicContact CG-CD2 4.05Å; K18-Y22 HydrophobicContact CG-CE2 3.51Å; K18-Y22 WeakPolarHBondContact O-CD2 3.45Å; K18-Y22 PolarHBondContact O-N 3.03Å |
| 19 | S | 77.3 | Confident | 75.3 | Confident | 27 Ų | 27 | 96.7 Ų | 96.7 | 19% | 0.189 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 175.5 | 173.4 | 0 | 0 | 0 | 0 | 112.4 | H17 Y22 F23 F280 Y281 L282 | H17-S19 VanDerWaalsContact C-N 3.29Å; H17-S19 PolarHBondContact O-N 3.36Å; S19-Y22 PolarHBondContact O-N 2.98Å; S19-F23 WeakPolarHBondContact O-CB 3.35Å; S19-F23 PolarHBondContact O-N 2.96Å; S19-F280 PolarHBondContact OG-O 2.92Å; S19-Y281 PolarHBondContact OG-O 3.12Å; S19-L282 PolarHBondContact OG-N 3.38Å |
| 20 | T | 83.6 | Confident | 77.1 | Confident | 66 Ų | 66 | 98.2 Ų | 98.2 | 41% | 0.405 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 174.9 | -48.3 | 0 | 0 | 0 | 0 | 111.2 | H17 F23 V24 | H17-T20 WeakPolarHBondContact O-CA 3.34Å; H17-T20 VanDerWaalsContact O-CB 3.31Å; H17-T20 WeakPolarHBondContact O-CB 3.35Å; H17-T20 PolarHBondContact O-N 2.89Å; T20-F23 PolarHBondContact O-N 3.47Å; T20-V24 WeakPolarHBondContact O-CG2 3.31Å; T20-V24 PolarHBondContact O-N 2.96Å |
| 21 | W | 85.2 | Confident | 79.1 | Confident | 159 Ų | 159 | 98.4 Ų | 98.4 | 60% | 0.602 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.8 | -41 | 175.8 | -77.4 | 108.2 | 0 | 0 | 0 | 112.7 | H17 K18 F23 V24 S25 | H17-W21 VanDerWaalsContact O-CD1 3.3Å; H17-W21 PolarHBondContact O-N 2.92Å; K18-W21 PolarHBondContact O-N 3.22Å; W21-F23 VanDerWaalsContact C-N 3.34Å; W21-F23 PolarHBondContact O-N 3.24Å; W21-V24 PolarHBondContact O-N 3.37Å; W21-S25 VanDerWaalsContact O-CB 3.32Å; W21-S25 WeakPolarHBondContact O-CB 3.26Å; W21-S25 PolarHBondContact O-N 2.89Å |
| 22 | Y | 86.3 | Confident | 81.1 | Confident | 81 Ų | 81 | 100.3 Ų | 100.3 | 32% | 0.318 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 173.4 | -72.1 | -53.8 | 0 | 0 | 0 | 112.3 | K18 S19 S25 L26 M279 F280 | K18-Y22 HydrophobicContact CD-CE2 3.98Å; K18-Y22 WeakPolarHBondContact CE-OH 3.39Å; K18-Y22 HydrophobicContact CG-CD2 4.05Å; K18-Y22 HydrophobicContact CG-CE2 3.51Å; K18-Y22 WeakPolarHBondContact O-CD2 3.45Å; K18-Y22 PolarHBondContact O-N 3.03Å; S19-Y22 PolarHBondContact O-N 2.98Å; Y22-S25 PolarHBondContact O-N 3.29Å; Y22-L26 PolarHBondContact O-N 2.95Å; Y22-M279 HydrophobicContact CD1-CG 3.97Å; Y22-M279 HydrophobicContact CD1-SD 3.62Å; Y22-M279 HydrophobicContact CD2-CG 3.35Å; Y22-M279 HydrophobicContact CD2-SD 4.09Å; Y22-M279 HydrophobicContact CE1-CG 4.09Å; Y22-M279 HydrophobicContact CE1-SD 3.48Å; Y22-M279 WeakPolarHBondContact CE1-SD 3.22Å; Y22-M279 HydrophobicContact CE2-CG 3.43Å; Y22-M279 VanDerWaalsContact CE2-CG 3.43Å; Y22-M279 HydrophobicContact CE2-SD 3.91Å; Y22-M279 HydrophobicContact CG-CG 3.63Å; Y22-M279 HydrophobicContact CG-SD 3.95Å; Y22-F280 WeakPolarHBondContact O-CE1 3.15Å |
| 23 | F | 87.1 | Confident | 83.1 | Confident | 104 Ų | 104 | 98.6 Ų | 98.6 | 46% | 0.456 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 176.9 | -177.8 | -105.4 | 0 | 0 | 0 | 112.4 | S19 T20 W21 S25 L26 I27 | S19-F23 WeakPolarHBondContact O-CB 3.35Å; S19-F23 PolarHBondContact O-N 2.96Å; T20-F23 PolarHBondContact O-N 3.47Å; W21-F23 VanDerWaalsContact C-N 3.34Å; W21-F23 PolarHBondContact O-N 3.24Å; F23-S25 VanDerWaalsContact C-N 3.33Å; F23-S25 PolarHBondContact O-N 2.86Å; F23-L26 WeakPolarHBondContact O-CB 3.31Å; F23-L26 PolarHBondContact O-N 3.35Å; F23-I27 HydrophobicContact CD1-CD1 3.88Å; F23-I27 HydrophobicContact CE1-CD1 3.4Å; F23-I27 VanDerWaalsContact CE1-CD1 3.4Å; F23-I27 HydrophobicContact CE1-CG1 4.34Å; F23-I27 HydrophobicContact CZ-CD1 3.81Å; F23-I27 HydrophobicContact CZ-CG1 4.4Å; F23-I27 PolarHBondContact O-N 2.94Å |
| 24 | V | 90.1 | Very high | 85.2 | Confident | 73 Ų | 73 | 97 Ų | 97 | 44% | 0.442 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 174.3 | 172.1 | 0 | 0 | 0 | 0 | 111 | T20 W21 L26 I27 L28 | T20-V24 WeakPolarHBondContact O-CG2 3.31Å; T20-V24 PolarHBondContact O-N 2.96Å; W21-V24 PolarHBondContact O-N 3.37Å; V24-L26 VanDerWaalsContact C-N 3.3Å; V24-L26 PolarHBondContact O-N 3.01Å; V24-I27 PolarHBondContact O-N 3.32Å; V24-L28 WeakPolarHBondContact O-CB 3.48Å; V24-L28 PolarHBondContact O-N 3.46Å |
| 25 | S | 90.9 | Very high | 87.2 | Confident | 76 Ų | 76 | 97.9 Ų | 97.9 | 53% | 0.531 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.9 | -35.5 | 175.1 | -173.8 | 0 | 0 | 0 | 0 | 112.5 | W21 Y22 F23 G29 | W21-S25 VanDerWaalsContact O-CB 3.32Å; W21-S25 WeakPolarHBondContact O-CB 3.26Å; W21-S25 PolarHBondContact O-N 2.89Å; Y22-S25 PolarHBondContact O-N 3.29Å; F23-S25 VanDerWaalsContact C-N 3.33Å; F23-S25 PolarHBondContact O-N 2.86Å; S25-G29 PolarHBondContact O-N 3.35Å |
| 26 | L | 91.2 | Very high | 89.1 | Confident | 85 Ų | 85 | 97.6 Ų | 97.6 | 45% | 0.445 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66 | -44.6 | 174.5 | -180 | 65.9 | 0 | 0 | 0 | 111.2 | Y22 F23 V24 G29 Y30 F280 | Y22-L26 PolarHBondContact O-N 2.95Å; F23-L26 WeakPolarHBondContact O-CB 3.31Å; F23-L26 PolarHBondContact O-N 3.35Å; V24-L26 VanDerWaalsContact C-N 3.3Å; V24-L26 PolarHBondContact O-N 3.01Å; L26-G29 PolarHBondContact O-N 3.36Å; L26-Y30 WeakPolarHBondContact O-CB 3.19Å; L26-Y30 PolarHBondContact O-N 3.44Å; L26-F280 HydrophobicContact CB-CD1 4.06Å; L26-F280 HydrophobicContact CB-CE1 3.76Å; L26-F280 HydrophobicContact CB-CZ 4.43Å; L26-F280 HydrophobicContact CD1-CE1 4.36Å; L26-F280 HydrophobicContact CD1-CZ 4.2Å; L26-F280 HydrophobicContact CD2-CD1 3.99Å; L26-F280 HydrophobicContact CD2-CD2 4.42Å; L26-F280 HydrophobicContact CD2-CE1 4.16Å; L26-F280 HydrophobicContact CD2-CG 4.14Å; L26-F280 HydrophobicContact CD2-CZ 4.43Å; L26-F280 HydrophobicContact CG-CE1 4.32Å |
| 27 | I | 93.6 | Very high | 90.7 | Very high | 77 Ų | 77 | 91.6 Ų | 91.6 | 40% | 0.395 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 175.6 | -68.6 | 171 | 0 | 0 | 0 | 110.2 | F23 V24 G29 Y30 L31 | F23-I27 HydrophobicContact CD1-CD1 3.88Å; F23-I27 HydrophobicContact CE1-CD1 3.4Å; F23-I27 VanDerWaalsContact CE1-CD1 3.4Å; F23-I27 HydrophobicContact CE1-CG1 4.34Å; F23-I27 HydrophobicContact CZ-CD1 3.81Å; F23-I27 HydrophobicContact CZ-CG1 4.4Å; F23-I27 PolarHBondContact O-N 2.94Å; V24-I27 PolarHBondContact O-N 3.32Å; I27-G29 VanDerWaalsContact C-N 3.34Å; I27-G29 PolarHBondContact O-N 2.95Å; I27-Y30 PolarHBondContact O-N 3.07Å; I27-L31 HydrophobicContact CG2-CD1 4.12Å; I27-L31 HydrophobicContact CG2-CG 4.43Å; I27-L31 WeakPolarHBondContact O-CG 3.03Å; I27-L31 PolarHBondContact O-N 3.46Å |
| 28 | L | 95.8 | Very high | 92 | Very high | 98 Ų | 98 | 90 Ų | 90 | 51% | 0.513 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 178.7 | -178.7 | 62.9 | 0 | 0 | 0 | 111.3 | V24 Y30 L31 L32 | V24-L28 WeakPolarHBondContact O-CB 3.48Å; V24-L28 PolarHBondContact O-N 3.46Å; L28-Y30 VanDerWaalsContact C-N 3.32Å; L28-Y30 PolarHBondContact O-N 3.11Å; L28-L31 PolarHBondContact O-N 3.43Å; L28-L32 HydrophobicContact CD1-CG 4.5Å; L28-L32 HydrophobicContact CG-CD1 4.26Å; L28-L32 VanDerWaalsContact O-CG 3.32Å; L28-L32 WeakPolarHBondContact O-CG 3.48Å; L28-L32 PolarHBondContact O-N 2.92Å |
| 29 | G | 95.8 | Very high | 93 | Very high | 37 Ų | 37 | 89.3 Ų | 89.3 | 38% | 0.381 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S25 L26 I27 L32 Y33 | S25-G29 PolarHBondContact O-N 3.35Å; L26-G29 PolarHBondContact O-N 3.36Å; I27-G29 VanDerWaalsContact C-N 3.34Å; I27-G29 PolarHBondContact O-N 2.95Å; G29-L32 PolarHBondContact O-N 3.36Å; G29-Y33 WeakPolarHBondContact O-CB 3.38Å; G29-Y33 PolarHBondContact O-N 3.46Å |
| 30 | Y | 95.2 | Very high | 94 | Very high | 142 Ų | 142 | 90.9 Ų | 90.9 | 56% | 0.557 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.4 | -42.1 | 176 | -175.9 | -109.2 | 0 | 0 | 0 | 112.3 | L26 I27 L28 L32 Y33 L34 | L26-Y30 WeakPolarHBondContact O-CB 3.19Å; L26-Y30 PolarHBondContact O-N 3.44Å; I27-Y30 PolarHBondContact O-N 3.07Å; L28-Y30 VanDerWaalsContact C-N 3.32Å; L28-Y30 PolarHBondContact O-N 3.11Å; Y30-L32 PolarHBondContact O-N 3.23Å; Y30-Y33 WeakPolarHBondContact O-CB 3.42Å; Y30-Y33 PolarHBondContact O-N 2.92Å; Y30-L34 HydrophobicContact CD1-CD1 4.11Å; Y30-L34 HydrophobicContact CD1-CG 4.5Å; Y30-L34 HydrophobicContact CE1-CD1 3.65Å; Y30-L34 HydrophobicContact CE1-CG 4.15Å; Y30-L34 WeakPolarHBondContact O-CG 3.32Å; Y30-L34 PolarHBondContact O-N 2.91Å |
| 31 | L | 97.6 | Very high | 94.6 | Very high | 90 Ų | 90 | 94.5 Ų | 94.5 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 174.6 | -70.6 | 174.6 | 0 | 0 | 0 | 111.8 | I27 L28 Y33 L34 I35 | I27-L31 HydrophobicContact CG2-CD1 4.12Å; I27-L31 HydrophobicContact CG2-CG 4.43Å; I27-L31 WeakPolarHBondContact O-CG 3.03Å; I27-L31 PolarHBondContact O-N 3.46Å; L28-L31 PolarHBondContact O-N 3.43Å; L31-Y33 VanDerWaalsContact C-N 3.31Å; L31-Y33 PolarHBondContact O-N 3.44Å; L31-L34 PolarHBondContact O-N 3.4Å; L31-I35 WeakPolarHBondContact O-CG1 3.05Å; L31-I35 PolarHBondContact O-N 3.27Å |
| 32 | L | 97.8 | Very high | 95.2 | Very high | 101 Ų | 101 | 90.2 Ų | 90.2 | 53% | 0.529 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63 | -38.7 | 175 | -70.1 | 173.3 | 0 | 0 | 0 | 111.7 | L28 G29 Y30 I35 F36 | L28-L32 HydrophobicContact CD1-CG 4.5Å; L28-L32 HydrophobicContact CG-CD1 4.26Å; L28-L32 VanDerWaalsContact O-CG 3.32Å; L28-L32 WeakPolarHBondContact O-CG 3.48Å; L28-L32 PolarHBondContact O-N 2.92Å; G29-L32 PolarHBondContact O-N 3.36Å; Y30-L32 PolarHBondContact O-N 3.23Å; L32-I35 PolarHBondContact O-N 3.29Å; L32-F36 WeakPolarHBondContact O-CB 3.11Å; L32-F36 PolarHBondContact O-N 2.95Å |
| 33 | Y | 97 | Very high | 95.8 | Very high | 161 Ų | 161 | 90 Ų | 90 | 63% | 0.631 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.4 | -40 | 175.1 | -173.6 | -99.7 | 0 | 0 | 0 | 112.2 | G29 Y30 L31 F36 G37 | G29-Y33 WeakPolarHBondContact O-CB 3.38Å; G29-Y33 PolarHBondContact O-N 3.46Å; Y30-Y33 WeakPolarHBondContact O-CB 3.42Å; Y30-Y33 PolarHBondContact O-N 2.92Å; L31-Y33 VanDerWaalsContact C-N 3.31Å; L31-Y33 PolarHBondContact O-N 3.44Å; Y33-F36 PolarHBondContact O-N 2.8Å; Y33-G37 PolarHBondContact O-N 2.93Å |
| 34 | L | 98 | Very high | 96.3 | Very high | 85 Ų | 85 | 88.4 Ų | 88.4 | 45% | 0.445 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 174.1 | -69.3 | 178.6 | 0 | 0 | 0 | 112.3 | Y30 L31 F36 G37 A38 | Y30-L34 HydrophobicContact CD1-CD1 4.11Å; Y30-L34 HydrophobicContact CD1-CG 4.5Å; Y30-L34 HydrophobicContact CE1-CD1 3.65Å; Y30-L34 HydrophobicContact CE1-CG 4.15Å; Y30-L34 WeakPolarHBondContact O-CG 3.32Å; Y30-L34 PolarHBondContact O-N 2.91Å; L31-L34 PolarHBondContact O-N 3.4Å; L34-F36 VanDerWaalsContact C-N 3.33Å; L34-F36 PolarHBondContact O-N 2.9Å; L34-G37 PolarHBondContact O-N 3.21Å; L34-A38 WeakPolarHBondContact O-CB 3.35Å; L34-A38 PolarHBondContact O-N 3.33Å |
| 35 | I | 98.1 | Very high | 96.6 | Very high | 106 Ų | 106 | 90.1 Ų | 90.1 | 54% | 0.544 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 176.7 | -68 | 166.4 | 0 | 0 | 0 | 110.3 | L31 L32 A38 V39 | L31-I35 WeakPolarHBondContact O-CG1 3.05Å; L31-I35 PolarHBondContact O-N 3.27Å; L32-I35 PolarHBondContact O-N 3.29Å; I35-A38 PolarHBondContact O-N 3.33Å; I35-V39 HydrophobicContact CG2-CG2 4.49Å; I35-V39 WeakPolarHBondContact O-CG2 3.06Å; I35-V39 PolarHBondContact O-N 3.48Å |
| 36 | F | 97.9 | Very high | 96.9 | Very high | 134 Ų | 134 | 91 Ų | 91 | 59% | 0.588 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -57.1 | -50.4 | 174.8 | 169.8 | -103.2 | 0 | 0 | 0 | 111.4 | L32 Y33 L34 A38 V39 V40 | L32-F36 WeakPolarHBondContact O-CB 3.11Å; L32-F36 PolarHBondContact O-N 2.95Å; Y33-F36 PolarHBondContact O-N 2.8Å; L34-F36 VanDerWaalsContact C-N 3.33Å; L34-F36 PolarHBondContact O-N 2.9Å; F36-A38 VanDerWaalsContact C-N 3.34Å; F36-A38 PolarHBondContact O-N 3.25Å; F36-V39 PolarHBondContact O-N 3.43Å; F36-V40 HydrophobicContact CD2-CG2 4.22Å; F36-V40 HydrophobicContact CE1-CG2 4.23Å; F36-V40 HydrophobicContact CE2-CG2 3.76Å; F36-V40 HydrophobicContact CZ-CG2 3.76Å; F36-V40 WeakPolarHBondContact O-CG2 3.49Å; F36-V40 PolarHBondContact O-N 2.84Å |
| 37 | G | 97.5 | Very high | 97.2 | Very high | 19 Ų | 19 | 90.7 Ų | 90.7 | 20% | 0.196 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -57.9 | -44.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y33 L34 V39 V40 F41 | Y33-G37 PolarHBondContact O-N 2.93Å; L34-G37 PolarHBondContact O-N 3.21Å; G37-V39 PolarHBondContact O-N 3.49Å; G37-V40 PolarHBondContact O-N 3.4Å; G37-F41 WeakPolarHBondContact O-CD2 3.3Å; G37-F41 PolarHBondContact O-N 2.89Å |
| 38 | A | 97.9 | Very high | 97.3 | Very high | 59 Ų | 59 | 94.5 Ų | 94.5 | 49% | 0.488 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L34 I35 F36 S42 | L34-A38 WeakPolarHBondContact O-CB 3.35Å; L34-A38 PolarHBondContact O-N 3.33Å; I35-A38 PolarHBondContact O-N 3.33Å; F36-A38 VanDerWaalsContact C-N 3.34Å; F36-A38 PolarHBondContact O-N 3.25Å; A38-S42 WeakPolarHBondContact O-CB 3.21Å; A38-S42 PolarHBondContact O-N 2.91Å |
| 39 | V | 98.3 | Very high | 97.3 | Very high | 96 Ų | 96 | 94 Ų | 94 | 58% | 0.582 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.6 | -45.8 | 176.1 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | I35 F36 G37 S42 S43 | I35-V39 HydrophobicContact CG2-CG2 4.49Å; I35-V39 WeakPolarHBondContact O-CG2 3.06Å; I35-V39 PolarHBondContact O-N 3.48Å; F36-V39 PolarHBondContact O-N 3.43Å; G37-V39 PolarHBondContact O-N 3.49Å; V39-S42 PolarHBondContact O-N 3.48Å; V39-S43 VanDerWaalsContact O-CB 3.32Å; V39-S43 WeakPolarHBondContact O-CB 3.27Å; V39-S43 PolarHBondContact O-N 2.9Å; V39-S43 PolarHBondContact O-OG 2.84Å |
| 40 | V | 98.2 | Very high | 97.4 | Very high | 59 Ų | 59 | 95.7 Ų | 95.7 | 36% | 0.358 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62 | -53.7 | 179.6 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | F36 G37 S42 S43 V44 | F36-V40 HydrophobicContact CD2-CG2 4.22Å; F36-V40 HydrophobicContact CE1-CG2 4.23Å; F36-V40 HydrophobicContact CE2-CG2 3.76Å; F36-V40 HydrophobicContact CZ-CG2 3.76Å; F36-V40 WeakPolarHBondContact O-CG2 3.49Å; F36-V40 PolarHBondContact O-N 2.84Å; G37-V40 PolarHBondContact O-N 3.4Å; V40-S42 PolarHBondContact O-N 2.93Å; V40-S43 PolarHBondContact O-N 3.45Å; V40-S43 VanDerWaalsContact O-N 3.14Å; V40-S43 PolarHBondContact O-OG 3.12Å; V40-V44 HydrophobicContact CG1-CG2 4.39Å; V40-V44 WeakPolarHBondContact O-CG2 3.26Å; V40-V44 PolarHBondContact O-N 3Å |
| 41 | F | 97.6 | Very high | 97.5 | Very high | 142 Ų | 142 | 93.7 Ų | 93.7 | 62% | 0.623 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.7 | -44.9 | 178.5 | -75.9 | -59 | 0 | 0 | 0 | 112.2 | G37 S43 V44 E45 | G37-F41 WeakPolarHBondContact O-CD2 3.3Å; G37-F41 PolarHBondContact O-N 2.89Å; F41-S43 VanDerWaalsContact C-N 3.27Å; F41-S43 PolarHBondContact O-N 3.12Å; F41-V44 PolarHBondContact O-N 3.48Å; F41-E45 WeakPolarHBondContact O-CB 3.4Å; F41-E45 PolarHBondContact O-N 2.74Å |
| 42 | S | 97.9 | Very high | 97.4 | Very high | 70 Ų | 70 | 94.9 Ų | 94.9 | 49% | 0.49 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -34.4 | 177.6 | -177.5 | 0 | 0 | 0 | 0 | 112.4 | A38 V39 V40 L46 | A38-S42 WeakPolarHBondContact O-CB 3.21Å; A38-S42 PolarHBondContact O-N 2.91Å; V39-S42 PolarHBondContact O-N 3.48Å; V40-S42 PolarHBondContact O-N 2.93Å; S42-L46 WeakPolarHBondContact O-CB 3.45Å; S42-L46 PolarHBondContact O-N 2.92Å |
| 43 | S | 97.4 | Very high | 97.3 | Very high | 76 Ų | 76 | 95.9 Ų | 95.9 | 53% | 0.531 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -75.6 | -33.3 | 179.2 | 69.7 | 0 | 0 | 0 | 0 | 112.8 | V39 V40 F41 | V39-S43 VanDerWaalsContact O-CB 3.32Å; V39-S43 WeakPolarHBondContact O-CB 3.27Å; V39-S43 PolarHBondContact O-N 2.9Å; V39-S43 PolarHBondContact O-OG 2.84Å; V40-S43 PolarHBondContact O-N 3.45Å; V40-S43 VanDerWaalsContact O-N 3.14Å; V40-S43 PolarHBondContact O-OG 3.12Å; F41-S43 VanDerWaalsContact C-N 3.27Å; F41-S43 PolarHBondContact O-N 3.12Å |
| 44 | V | 97.6 | Very high | 97.2 | Very high | 70 Ų | 70 | 93.3 Ų | 93.3 | 42% | 0.424 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -84 | -48 | -177 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | V40 F41 Y48 | V40-V44 HydrophobicContact CG1-CG2 4.39Å; V40-V44 WeakPolarHBondContact O-CG2 3.26Å; V40-V44 PolarHBondContact O-N 3Å; F41-V44 PolarHBondContact O-N 3.48Å; V44-Y48 WeakPolarHBondContact O-CD2 3.35Å; V44-Y48 WeakPolarHBondContact O-CE2 3.27Å |
| 45 | E | 97 | Very high | 97.2 | Very high | 109 Ų | 109 | 93.9 Ų | 93.9 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -86.6 | -31 | -169.7 | -65.8 | -61.9 | 147.5 | 0 | 0 | 114.1 | F41 P47 Y48 E49 | F41-E45 WeakPolarHBondContact O-CB 3.4Å; F41-E45 PolarHBondContact O-N 2.74Å; E45-P47 VanDerWaalsContact C-CD 3.5Å; E45-Y48 PolarHBondContact O-N 3.33Å; E45-Y48 VanDerWaalsContact O-N 3.12Å; E45-E49 PolarHBondContact O-N 3.14Å |
| 46 | L | 97.1 | Very high | 97 | Very high | 95 Ų | 95 | 94.7 Ų | 94.7 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.9 | -39.5 | -174.7 | -172.4 | 69.9 | 0 | 0 | 0 | 114 | S42 E49 D50 | S42-L46 WeakPolarHBondContact O-CB 3.45Å; S42-L46 PolarHBondContact O-N 2.92Å; L46-E49 PolarHBondContact O-N 3.32Å; L46-D50 PolarHBondContact O-N 3.47Å |
| 47 | P | 97.6 | Very high | 96.8 | Very high | 79 Ų | 79 | 95.7 Ų | 95.7 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 175 | -22.4 | 34.5 | 0 | 0 | 0 | 113.1 | E45 D50 Q51 | E45-P47 VanDerWaalsContact C-CD 3.5Å; P47-D50 PolarHBondContact O-N 3.32Å; P47-Q51 PolarHBondContact O-N 3.43Å |
| 48 | Y | 96.3 | Very high | 96.8 | Very high | 156 Ų | 156 | 97.6 Ų | 97.6 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.8 | -38 | 178.3 | -65.6 | -80.2 | 0 | 0 | 0 | 111.4 | V44 E45 Q51 L52 | V44-Y48 WeakPolarHBondContact O-CD2 3.35Å; V44-Y48 WeakPolarHBondContact O-CE2 3.27Å; E45-Y48 PolarHBondContact O-N 3.33Å; E45-Y48 VanDerWaalsContact O-N 3.12Å; Y48-Q51 PolarHBondContact O-N 3.37Å; Y48-L52 WeakPolarHBondContact O-CB 3.43Å; Y48-L52 PolarHBondContact O-N 3.18Å |
| 49 | E | 96.3 | Very high | 96.7 | Very high | 88 Ų | 88 | 99.1 Ų | 99.1 | 41% | 0.411 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 173.5 | -174.8 | -177.6 | -176.9 | 0 | 0 | 111.6 | E45 L46 L52 R53 | E45-E49 PolarHBondContact O-N 3.14Å; L46-E49 PolarHBondContact O-N 3.32Å; E49-L52 PolarHBondContact O-N 3.05Å; E49-R53 WeakPolarHBondContact O-CB 3.18Å; E49-R53 VanDerWaalsContact O-CG 3.26Å; E49-R53 WeakPolarHBondContact O-CG 3.46Å; E49-R53 PolarHBondContact O-N 3.22Å; E49-R53 IonicContact OE1-CZ 3.93Å; E49-R53 IonicContact OE1-NE 3.57Å; E49-R53 PolarHBondContact OE1-NE 3.4Å; E49-R53 VanDerWaalsContact OE1-NE 3.14Å; E49-R53 IonicContact OE1-NH2 3.35Å; E49-R53 PolarHBondContact OE1-NH2 2.89Å |
| 50 | D | 96.8 | Very high | 96.5 | Very high | 72 Ų | 72 | 97 Ų | 97 | 39% | 0.385 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 178.7 | -166.9 | 50 | 0 | 0 | 0 | 111.6 | L46 P47 L52 R53 Q54 | L46-D50 PolarHBondContact O-N 3.47Å; P47-D50 PolarHBondContact O-N 3.32Å; D50-L52 PolarHBondContact O-N 3.46Å; D50-R53 PolarHBondContact O-N 3.45Å; D50-Q54 VanDerWaalsContact O-CG 3.27Å; D50-Q54 WeakPolarHBondContact O-CG 3.2Å; D50-Q54 PolarHBondContact O-N 3.16Å; D50-Q54 PolarHBondContact OD2-NE2 2.9Å |
| 51 | Q | 97.4 | Very high | 96.2 | Very high | 101 Ų | 101 | 101.1 Ų | 101.1 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.7 | -49.2 | 173.9 | -176 | -180 | -17.9 | 0 | 0 | 111.4 | P47 Y48 R53 Q54 E55 | P47-Q51 PolarHBondContact O-N 3.43Å; Y48-Q51 PolarHBondContact O-N 3.37Å; Q51-R53 VanDerWaalsContact C-N 3.31Å; Q51-R53 PolarHBondContact O-N 3.18Å; Q51-Q54 WeakPolarHBondContact O-CB 3.29Å; Q51-Q54 PolarHBondContact O-N 2.99Å; Q51-Q54 VanDerWaalsContact O-N 3.1Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.37Å; Q51-E55 PolarHBondContact NE2-OE1 2.74Å; Q51-E55 WeakPolarHBondContact O-CG 3.34Å; Q51-E55 PolarHBondContact O-N 3.49Å |
| 52 | L | 95.7 | Very high | 96.1 | Very high | 115 Ų | 115 | 99.6 Ų | 99.6 | 60% | 0.602 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.2 | -38.9 | 179.4 | -177.1 | 61.9 | 0 | 0 | 0 | 112 | Y48 E49 D50 Q54 E55 L56 | Y48-L52 WeakPolarHBondContact O-CB 3.43Å; Y48-L52 PolarHBondContact O-N 3.18Å; E49-L52 PolarHBondContact O-N 3.05Å; D50-L52 PolarHBondContact O-N 3.46Å; L52-Q54 VanDerWaalsContact C-N 3.33Å; L52-Q54 PolarHBondContact O-N 3.27Å; L52-E55 PolarHBondContact O-N 3.46Å; L52-L56 WeakPolarHBondContact O-CB 3.45Å; L52-L56 PolarHBondContact O-N 3.5Å |
| 53 | R | 95.3 | Very high | 96 | Very high | 122 Ų | 122 | 100.7 Ų | 100.7 | 46% | 0.46 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 174.1 | -75.4 | 171.8 | 174.9 | -167.5 | -1 | 111.7 | E49 D50 Q51 R57 | E49-R53 WeakPolarHBondContact O-CB 3.18Å; E49-R53 VanDerWaalsContact O-CG 3.26Å; E49-R53 WeakPolarHBondContact O-CG 3.46Å; E49-R53 PolarHBondContact O-N 3.22Å; E49-R53 IonicContact OE1-CZ 3.93Å; E49-R53 IonicContact OE1-NE 3.57Å; E49-R53 PolarHBondContact OE1-NE 3.4Å; E49-R53 VanDerWaalsContact OE1-NE 3.14Å; E49-R53 IonicContact OE1-NH2 3.35Å; E49-R53 PolarHBondContact OE1-NH2 2.89Å; D50-R53 PolarHBondContact O-N 3.45Å; Q51-R53 VanDerWaalsContact C-N 3.31Å; Q51-R53 PolarHBondContact O-N 3.18Å; R53-R57 WeakPolarHBondContact O-CB 3.45Å; R53-R57 VanDerWaalsContact O-CG 3.24Å; R53-R57 WeakPolarHBondContact O-CG 3.14Å; R53-R57 PolarHBondContact O-N 2.95Å; R53-R57 VanDerWaalsContact O-N 3.08Å |
| 54 | Q | 96.6 | Very high | 95.8 | Very high | 107 Ų | 107 | 98.7 Ų | 98.7 | 50% | 0.5 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.3 | -45.6 | 176.9 | -70.5 | 178 | 22.9 | 0 | 0 | 111.4 | D50 Q51 L52 L56 R57 A58 | D50-Q54 VanDerWaalsContact O-CG 3.27Å; D50-Q54 WeakPolarHBondContact O-CG 3.2Å; D50-Q54 PolarHBondContact O-N 3.16Å; D50-Q54 PolarHBondContact OD2-NE2 2.9Å; Q51-Q54 WeakPolarHBondContact O-CB 3.29Å; Q51-Q54 PolarHBondContact O-N 2.99Å; Q51-Q54 VanDerWaalsContact O-N 3.1Å; L52-Q54 VanDerWaalsContact C-N 3.33Å; L52-Q54 PolarHBondContact O-N 3.27Å; Q54-L56 PolarHBondContact O-N 3.42Å; Q54-R57 PolarHBondContact O-N 2.96Å; Q54-A58 WeakPolarHBondContact O-CB 3.42Å; Q54-A58 PolarHBondContact O-N 3.47Å |
| 55 | E | 96.8 | Very high | 95.6 | Very high | 97 Ų | 97 | 101.3 Ų | 101.3 | 45% | 0.453 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.5 | -47 | 175.6 | -72.6 | 176.1 | -169.1 | 0 | 0 | 111.4 | Q51 L52 R57 A58 V59 | Q51-E55 WeakPolarHBondContact CG-OE1 3.37Å; Q51-E55 PolarHBondContact NE2-OE1 2.74Å; Q51-E55 WeakPolarHBondContact O-CG 3.34Å; Q51-E55 PolarHBondContact O-N 3.49Å; L52-E55 PolarHBondContact O-N 3.46Å; E55-R57 PolarHBondContact O-N 3.2Å; E55-A58 WeakPolarHBondContact O-CB 3.32Å; E55-A58 PolarHBondContact O-N 3.01Å; E55-V59 WeakPolarHBondContact O-CG2 3.31Å; E55-V59 PolarHBondContact O-N 2.92Å |
| 56 | L | 94.3 | Very high | 95.5 | Very high | 123 Ų | 123 | 102 Ų | 102 | 64% | 0.644 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63 | -41.1 | 178.7 | -174 | 64.9 | 0 | 0 | 0 | 112.4 | L52 Q54 A58 K60 | L52-L56 WeakPolarHBondContact O-CB 3.45Å; L52-L56 PolarHBondContact O-N 3.5Å; Q54-L56 PolarHBondContact O-N 3.42Å; L56-A58 VanDerWaalsContact C-N 3.34Å; L56-K60 WeakPolarHBondContact O-CB 3.44Å; L56-K60 PolarHBondContact O-N 3.4Å |
| 57 | R | 94.5 | Very high | 95.3 | Very high | 154 Ų | 154 | 100.6 Ų | 100.6 | 58% | 0.581 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.3 | -40.1 | 174.8 | -74 | 173.8 | -168.2 | 147.2 | 2.5 | 111.6 | R53 Q54 E55 K61 | R53-R57 WeakPolarHBondContact O-CB 3.45Å; R53-R57 VanDerWaalsContact O-CG 3.24Å; R53-R57 WeakPolarHBondContact O-CG 3.14Å; R53-R57 PolarHBondContact O-N 2.95Å; R53-R57 VanDerWaalsContact O-N 3.08Å; Q54-R57 PolarHBondContact O-N 2.96Å; E55-R57 PolarHBondContact O-N 3.2Å; R57-K61 WeakPolarHBondContact O-CB 3.24Å; R57-K61 PolarHBondContact O-N 3.29Å |
| 58 | A | 96.3 | Very high | 94.9 | Very high | 59 Ų | 59 | 105.5 Ų | 105.5 | 49% | 0.488 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -48.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q54 E55 L56 K60 K61 Q62 | Q54-A58 WeakPolarHBondContact O-CB 3.42Å; Q54-A58 PolarHBondContact O-N 3.47Å; E55-A58 WeakPolarHBondContact O-CB 3.32Å; E55-A58 PolarHBondContact O-N 3.01Å; L56-A58 VanDerWaalsContact C-N 3.34Å; A58-K60 PolarHBondContact O-N 3.29Å; A58-K61 PolarHBondContact O-N 3.42Å; A58-Q62 WeakPolarHBondContact O-CB 3.5Å; A58-Q62 PolarHBondContact O-N 3.47Å |
| 59 | V | 95.5 | Very high | 94.6 | Very high | 92 Ų | 92 | 104.5 Ų | 104.5 | 56% | 0.558 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.1 | -45.3 | 177 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | E55 K61 Q62 F63 | E55-V59 WeakPolarHBondContact O-CG2 3.31Å; E55-V59 PolarHBondContact O-N 2.92Å; V59-K61 VanDerWaalsContact C-N 3.35Å; V59-K61 PolarHBondContact O-N 3.5Å; V59-Q62 PolarHBondContact O-N 3.2Å; V59-F63 WeakPolarHBondContact O-CB 3.32Å; V59-F63 PolarHBondContact O-N 3.43Å |
| 60 | K | 93.8 | Very high | 94.4 | Very high | 50 Ų | 50 | 102.7 Ų | 102.7 | 22% | 0.217 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 176.4 | -177.6 | -174.6 | 177.3 | -163.3 | 0 | 111.5 | L56 A58 F63 L64 E72 L75 E76 | L56-K60 WeakPolarHBondContact O-CB 3.44Å; L56-K60 PolarHBondContact O-N 3.4Å; A58-K60 PolarHBondContact O-N 3.29Å; K60-F63 PolarHBondContact O-N 3.49Å; K60-L64 HydrophobicContact CG-CD1 4.3Å; K60-L64 WeakPolarHBondContact O-CG 3.46Å; K60-L64 PolarHBondContact O-N 3.21Å; K60-L64 VanDerWaalsContact O-N 3.12Å; K60-E72 WeakPolarHBondContact CE-OE1 3.46Å; K60-E72 IonicContact NZ-OE1 2.65Å; K60-E72 PolarHBondContact NZ-OE1 3.45Å; K60-L75 HydrophobicContact CG-CD2 4.13Å; K60-E76 IonicContact NZ-OE1 3.68Å; K60-E76 PolarHBondContact NZ-OE1 2.98Å |
| 61 | K | 92.8 | Very high | 94.2 | Very high | 147 Ų | 147 | 102.3 Ų | 102.3 | 64% | 0.639 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.4 | -43.9 | -179.9 | -173.4 | 179.5 | 179.7 | -177.2 | 0 | 111.3 | R57 A58 V59 L64 L65 | R57-K61 WeakPolarHBondContact O-CB 3.24Å; R57-K61 PolarHBondContact O-N 3.29Å; A58-K61 PolarHBondContact O-N 3.42Å; V59-K61 VanDerWaalsContact C-N 3.35Å; V59-K61 PolarHBondContact O-N 3.5Å; K61-L64 PolarHBondContact O-N 3.48Å; K61-L65 HydrophobicContact CG-CD1 4.31Å; K61-L65 WeakPolarHBondContact O-CG 3.32Å; K61-L65 PolarHBondContact O-N 2.87Å |
| 62 | Q | 95.6 | Very high | 93.9 | Very high | 110 Ų | 110 | 102.4 Ų | 102.4 | 51% | 0.514 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 176.6 | -179.2 | 176.7 | -11.4 | 0 | 0 | 111.2 | A58 V59 L64 L65 E66 | A58-Q62 WeakPolarHBondContact O-CB 3.5Å; A58-Q62 PolarHBondContact O-N 3.47Å; V59-Q62 PolarHBondContact O-N 3.2Å; Q62-L64 VanDerWaalsContact C-N 3.31Å; Q62-L64 PolarHBondContact O-N 2.94Å; Q62-L65 PolarHBondContact O-N 3.2Å; Q62-L65 VanDerWaalsContact O-N 3.14Å; Q62-E66 VanDerWaalsContact CG-OE1 3.29Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.49Å; Q62-E66 PolarHBondContact NE2-OE1 3.48Å; Q62-E66 WeakPolarHBondContact O-CG 3.37Å; Q62-E66 PolarHBondContact O-N 3.37Å |
| 63 | F | 94.8 | Very high | 93.8 | Very high | 92 Ų | 92 | 103.1 Ų | 103.1 | 40% | 0.404 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.4 | -37.6 | 179.4 | -173 | -100.5 | 0 | 0 | 0 | 113 | V59 K60 N67 L70 L75 | V59-F63 WeakPolarHBondContact O-CB 3.32Å; V59-F63 PolarHBondContact O-N 3.43Å; K60-F63 PolarHBondContact O-N 3.49Å; F63-N67 WeakPolarHBondContact O-CB 3.44Å; F63-N67 PolarHBondContact O-N 3.44Å; F63-N67 PolarHBondContact O-ND2 2.92Å; F63-L70 HydrophobicContact CD1-CD2 4.3Å; F63-L70 HydrophobicContact CE1-CD2 3.81Å; F63-L75 HydrophobicContact CD1-CD1 4.22Å; F63-L75 HydrophobicContact CD1-CD2 3.92Å; F63-L75 HydrophobicContact CE1-CD1 3.99Å; F63-L75 HydrophobicContact CE1-CD2 4.46Å |
| 64 | L | 94 | Very high | 93.7 | Very high | 34 Ų | 34 | 104.8 Ų | 104.8 | 18% | 0.178 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -69.5 | -36.1 | 175.4 | -71.6 | 170 | 0 | 0 | 0 | 112.5 | K60 K61 Q62 N67 L70 E72 L75 | K60-L64 HydrophobicContact CG-CD1 4.3Å; K60-L64 WeakPolarHBondContact O-CG 3.46Å; K60-L64 PolarHBondContact O-N 3.21Å; K60-L64 VanDerWaalsContact O-N 3.12Å; K61-L64 PolarHBondContact O-N 3.48Å; Q62-L64 VanDerWaalsContact C-N 3.31Å; Q62-L64 PolarHBondContact O-N 2.94Å; L64-N67 CarbonylContact O-C 3.58Å; L64-N67 VanDerWaalsContact O-C 3.31Å; L64-N67 PolarHBondContact O-N 3.43Å; L64-L70 HydrophobicContact CD2-CD2 4.14Å; L64-E72 HydrophobicContact CD1-CB 4.03Å; L64-E72 HydrophobicContact CD1-CG 4.09Å; L64-L75 HydrophobicContact CD2-CB 4.48Å; L64-L75 HydrophobicContact CD2-CD2 3.9Å; L64-L75 HydrophobicContact CG-CD2 4.05Å |
| 65 | L | 93.4 | Very high | 93.5 | Very high | 125 Ų | 125 | 100.4 Ų | 100.4 | 65% | 0.654 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.4 | -37.7 | 175.5 | -71.1 | 170.4 | 0 | 0 | 0 | 112 | K61 Q62 N67 | K61-L65 HydrophobicContact CG-CD1 4.31Å; K61-L65 WeakPolarHBondContact O-CG 3.32Å; K61-L65 PolarHBondContact O-N 2.87Å; Q62-L65 PolarHBondContact O-N 3.2Å; Q62-L65 VanDerWaalsContact O-N 3.14Å; L65-N67 PolarHBondContact O-N 2.9Å |
| 66 | E | 95.9 | Very high | 93.3 | Very high | 123 Ų | 123 | 100.3 Ų | 100.3 | 58% | 0.575 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -70.3 | -20.1 | 176 | -70.7 | 172.4 | -171.1 | 0 | 0 | 112.5 | Q62 | Q62-E66 VanDerWaalsContact CG-OE1 3.29Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.49Å; Q62-E66 PolarHBondContact NE2-OE1 3.48Å; Q62-E66 WeakPolarHBondContact O-CG 3.37Å; Q62-E66 PolarHBondContact O-N 3.37Å |
| 67 | N | 92.8 | Very high | 93.3 | Very high | 66 Ų | 66 | 101.3 Ų | 101.3 | 35% | 0.353 | 50% | 0.495 | S | S | . | . | trans | -130.1 | 72.6 | -174.6 | -62.7 | -87 | 0 | 0 | 0 | 111.8 | F63 L64 L65 C69 L70 | F63-N67 WeakPolarHBondContact O-CB 3.44Å; F63-N67 PolarHBondContact O-N 3.44Å; F63-N67 PolarHBondContact O-ND2 2.92Å; L64-N67 CarbonylContact O-C 3.58Å; L64-N67 VanDerWaalsContact O-C 3.31Å; L64-N67 PolarHBondContact O-N 3.43Å; L65-N67 PolarHBondContact O-N 2.9Å; N67-C69 PolarHBondContact O-N 2.9Å; N67-L70 HydrophobicContact CB-CB 4.2Å; N67-L70 WeakPolarHBondContact O-CB 3.38Å; N67-L70 PolarHBondContact O-N 3.28Å | ||
| 68 | E | 87.5 | Confident | 93.2 | Very high | 182 Ų | 182 | 100 Ų | 100 | 85% | 0.85 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26.5 | -179.9 | -64.6 | -173 | 163.9 | 0 | 0 | 114 | L70 | E68-L70 PolarHBondContact O-N 3.36Š|
| 69 | C | 90.6 | Very high | 93 | Very high | 135 Ų | 135 | 100.7 Ų | 100.7 | 91% | 0.912 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -9.1 | 177.9 | -58.5 | 0 | 0 | 0 | 0 | 114.3 | N67 | N67-C69 PolarHBondContact O-N 2.9Š|
| 70 | L | 92.8 | Very high | 92.9 | Very high | 50 Ų | 50 | 102.9 Ų | 102.9 | 26% | 0.262 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -108.2 | 117 | -173.6 | -162.7 | 95.9 | 0 | 0 | 0 | 110.7 | F63 L64 N67 E68 L75 | F63-L70 HydrophobicContact CD1-CD2 4.3Å; F63-L70 HydrophobicContact CE1-CD2 3.81Å; L64-L70 HydrophobicContact CD2-CD2 4.14Å; N67-L70 HydrophobicContact CB-CB 4.2Å; N67-L70 WeakPolarHBondContact O-CB 3.38Å; N67-L70 PolarHBondContact O-N 3.28Å; E68-L70 PolarHBondContact O-N 3.36Å; L70-L75 HydrophobicContact CD2-CB 3.72Å; L70-L75 HydrophobicContact CD2-CD1 4.05Å; L70-L75 HydrophobicContact CD2-CD2 4.28Å; L70-L75 HydrophobicContact CD2-CG 4.22Å |
| 71 | S | 91.8 | Very high | 92.7 | Very high | 64 Ų | 64 | 108 Ų | 108 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | trans | -74.1 | 146.9 | 172.2 | 66.3 | 0 | 0 | 0 | 0 | 111.8 | E73 R74 L75 | S71-E73 VanDerWaalsContact C-N 3.27Å; S71-E73 PolarHBondContact O-N 3.43Å; S71-R74 PolarHBondContact O-N 3.18Å; S71-R74 WeakPolarHBondContact OG-CB 3.41Å; S71-R74 PolarHBondContact OG-N 2.96Å; S71-L75 PolarHBondContact O-N 2.92Å; S71-L75 VanDerWaalsContact O-N 3.13Å | ||
| 72 | E | 91.7 | Very high | 92.6 | Very high | 104 Ų | 104 | 101.9 Ų | 101.9 | 49% | 0.486 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -54.4 | -43.3 | 176.6 | -177.7 | 168.6 | -162.9 | 0 | 0 | 112 | K60 L64 R74 L75 E76 | K60-E72 WeakPolarHBondContact CE-OE1 3.46Å; K60-E72 IonicContact NZ-OE1 2.65Å; K60-E72 PolarHBondContact NZ-OE1 3.45Å; L64-E72 HydrophobicContact CD1-CB 4.03Å; L64-E72 HydrophobicContact CD1-CG 4.09Å; E72-R74 VanDerWaalsContact C-N 3.31Å; E72-R74 PolarHBondContact O-N 3.36Å; E72-L75 WeakPolarHBondContact O-CB 3.33Å; E72-L75 PolarHBondContact O-N 3.04Å; E72-E76 HydrophobicContact CG-CG 4.5Å; E72-E76 WeakPolarHBondContact O-CG 3.47Å; E72-E76 PolarHBondContact O-N 2.78Å |
| 73 | E | 92.6 | Very high | 92.2 | Very high | 130 Ų | 130 | 101.6 Ų | 101.6 | 61% | 0.607 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.3 | -33.8 | 178.6 | -166.7 | -169.2 | 173.8 | 0 | 0 | 112.9 | S71 R77 | S71-E73 VanDerWaalsContact C-N 3.27Å; S71-E73 PolarHBondContact O-N 3.43Å; E73-R77 WeakPolarHBondContact O-CB 3.5Å; E73-R77 WeakPolarHBondContact O-CG 3.41Å; E73-R77 PolarHBondContact O-N 3.42Å; E73-R77 PolarHBondContact O-NE 3.48Å |
| 74 | R | 92.8 | Very high | 91.9 | Very high | 156 Ų | 156 | 100.8 Ų | 100.8 | 59% | 0.589 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -71.5 | -39.9 | 176.7 | -171.6 | 176.7 | -179.4 | -177.8 | -0.8 | 110.7 | S71 E72 R77 F78 | S71-R74 PolarHBondContact O-N 3.18Å; S71-R74 WeakPolarHBondContact OG-CB 3.41Å; S71-R74 PolarHBondContact OG-N 2.96Å; E72-R74 VanDerWaalsContact C-N 3.31Å; E72-R74 PolarHBondContact O-N 3.36Å; R74-R77 PolarHBondContact O-N 2.95Å; R74-F78 PolarHBondContact O-N 3.38Å; R74-F78 VanDerWaalsContact O-N 3.08Å |
| 75 | L | 93.1 | Very high | 91.4 | Very high | 16 Ų | 16 | 100.6 Ų | 100.6 | 8% | 0.084 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -62 | -47.9 | 174.1 | -177.2 | 56.9 | 0 | 0 | 0 | 111 | K60 F63 L64 L70 S71 E72 R77 F78 L79 | K60-L75 HydrophobicContact CG-CD2 4.13Å; F63-L75 HydrophobicContact CD1-CD1 4.22Å; F63-L75 HydrophobicContact CD1-CD2 3.92Å; F63-L75 HydrophobicContact CE1-CD1 3.99Å; F63-L75 HydrophobicContact CE1-CD2 4.46Å; L64-L75 HydrophobicContact CD2-CB 4.48Å; L64-L75 HydrophobicContact CD2-CD2 3.9Å; L64-L75 HydrophobicContact CG-CD2 4.05Å; L70-L75 HydrophobicContact CD2-CB 3.72Å; L70-L75 HydrophobicContact CD2-CD1 4.05Å; L70-L75 HydrophobicContact CD2-CD2 4.28Å; L70-L75 HydrophobicContact CD2-CG 4.22Å; S71-L75 PolarHBondContact O-N 2.92Å; S71-L75 VanDerWaalsContact O-N 3.13Å; E72-L75 WeakPolarHBondContact O-CB 3.33Å; E72-L75 PolarHBondContact O-N 3.04Å; L75-R77 PolarHBondContact O-N 3.28Å; L75-F78 WeakPolarHBondContact O-CB 3.35Å; L75-F78 PolarHBondContact O-N 3.06Å; L75-F78 VanDerWaalsContact O-N 3.16Å; L75-L79 HydrophobicContact CD1-CD1 4.14Å; L75-L79 HydrophobicContact CD1-CG 4.13Å; L75-L79 HydrophobicContact CG-CD1 3.89Å; L75-L79 HydrophobicContact CG-CG 4.31Å; L75-L79 WeakPolarHBondContact O-CB 3.31Å; L75-L79 WeakPolarHBondContact O-CG 3.29Å; L75-L79 PolarHBondContact O-N 3.23Å |
| 76 | E | 93.2 | Very high | 91 | Very high | 95 Ų | 95 | 97.7 Ų | 97.7 | 44% | 0.444 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 178.8 | -73.1 | -172.8 | 168.2 | 0 | 0 | 112.6 | K60 E72 F78 L79 K80 | K60-E76 IonicContact NZ-OE1 3.68Å; K60-E76 PolarHBondContact NZ-OE1 2.98Å; E72-E76 HydrophobicContact CG-CG 4.5Å; E72-E76 WeakPolarHBondContact O-CG 3.47Å; E72-E76 PolarHBondContact O-N 2.78Å; E76-F78 VanDerWaalsContact C-N 3.31Å; E76-F78 PolarHBondContact O-N 3.19Å; E76-L79 PolarHBondContact O-N 3.3Å; E76-K80 WeakPolarHBondContact O-CB 3.24Å; E76-K80 PolarHBondContact O-N 3.11Å |
| 77 | R | 94.3 | Very high | 90.3 | Very high | 144 Ų | 144 | 97.2 Ų | 97.2 | 54% | 0.543 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 174.2 | -78.8 | -174.8 | -66.5 | 165 | -5.5 | 112.4 | E73 R74 L75 K81 | E73-R77 WeakPolarHBondContact O-CB 3.5Å; E73-R77 WeakPolarHBondContact O-CG 3.41Å; E73-R77 PolarHBondContact O-N 3.42Å; E73-R77 PolarHBondContact O-NE 3.48Å; R74-R77 PolarHBondContact O-N 2.95Å; L75-R77 PolarHBondContact O-N 3.28Å; R77-K81 WeakPolarHBondContact O-CG 3.47Å; R77-K81 PolarHBondContact O-N 2.94Å |
| 78 | F | 91.9 | Very high | 89.7 | Confident | 126 Ų | 126 | 98.9 Ų | 98.9 | 55% | 0.553 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67 | -50.7 | 175.2 | 175.2 | -102.2 | 0 | 0 | 0 | 111.2 | R74 L75 E76 K80 K81 A82 | R74-F78 PolarHBondContact O-N 3.38Å; R74-F78 VanDerWaalsContact O-N 3.08Å; L75-F78 WeakPolarHBondContact O-CB 3.35Å; L75-F78 PolarHBondContact O-N 3.06Å; L75-F78 VanDerWaalsContact O-N 3.16Å; E76-F78 VanDerWaalsContact C-N 3.31Å; E76-F78 PolarHBondContact O-N 3.19Å; F78-K80 VanDerWaalsContact C-N 3.31Å; F78-K80 PolarHBondContact O-N 3.34Å; F78-K81 PolarHBondContact O-N 3.43Å; F78-A82 WeakPolarHBondContact O-CB 3.45Å; F78-A82 PolarHBondContact O-N 3.25Å |
| 79 | L | 92.3 | Very high | 89.1 | Confident | 73 Ų | 73 | 91.3 Ų | 91.3 | 38% | 0.382 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.6 | -41.8 | 177.8 | -71.9 | 174.2 | 0 | 0 | 0 | 111.6 | L75 E76 A82 L83 | L75-L79 HydrophobicContact CD1-CD1 4.14Å; L75-L79 HydrophobicContact CD1-CG 4.13Å; L75-L79 HydrophobicContact CG-CD1 3.89Å; L75-L79 HydrophobicContact CG-CG 4.31Å; L75-L79 WeakPolarHBondContact O-CB 3.31Å; L75-L79 WeakPolarHBondContact O-CG 3.29Å; L75-L79 PolarHBondContact O-N 3.23Å; E76-L79 PolarHBondContact O-N 3.3Å; L79-A82 WeakPolarHBondContact O-CB 3.45Å; L79-A82 PolarHBondContact O-N 3.49Å; L79-L83 WeakPolarHBondContact O-CB 3.16Å; L79-L83 WeakPolarHBondContact O-CG 3.32Å; L79-L83 PolarHBondContact O-N 2.84Å |
| 80 | K | 92.7 | Very high | 88.6 | Confident | 138 Ų | 138 | 88.4 Ų | 88.4 | 60% | 0.6 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.5 | -50.1 | 176.1 | -176.1 | 174.7 | -178.1 | 176.4 | 0 | 111.5 | E76 F78 A82 L83 D84 | E76-K80 WeakPolarHBondContact O-CB 3.24Å; E76-K80 PolarHBondContact O-N 3.11Å; F78-K80 VanDerWaalsContact C-N 3.31Å; F78-K80 PolarHBondContact O-N 3.34Å; K80-A82 PolarHBondContact O-N 2.85Å; K80-L83 PolarHBondContact O-N 3.27Å; K80-D84 WeakPolarHBondContact O-CB 3.41Å; K80-D84 PolarHBondContact O-N 3.24Å |
| 81 | K | 90.8 | Very high | 87.8 | Confident | 158 Ų | 158 | 89 Ų | 89 | 69% | 0.687 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.8 | -36 | 176.1 | -73.8 | -175.4 | 177.8 | -170.1 | 0 | 112.3 | R77 F78 A85 | R77-K81 WeakPolarHBondContact O-CG 3.47Å; R77-K81 PolarHBondContact O-N 2.94Å; F78-K81 PolarHBondContact O-N 3.43Å; K81-A85 WeakPolarHBondContact O-CB 3.24Å; K81-A85 PolarHBondContact O-N 3.16Å |
| 82 | A | 89.8 | Confident | 87 | Confident | 18 Ų | 18 | 90.4 Ų | 90.4 | 15% | 0.149 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -67.4 | -45.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F78 L79 K80 A85 S86 I92 | F78-A82 WeakPolarHBondContact O-CB 3.45Å; F78-A82 PolarHBondContact O-N 3.25Å; L79-A82 WeakPolarHBondContact O-CB 3.45Å; L79-A82 PolarHBondContact O-N 3.49Å; K80-A82 PolarHBondContact O-N 2.85Å; A82-A85 PolarHBondContact O-N 3.15Å; A82-S86 WeakPolarHBondContact O-CB 3.38Å; A82-S86 PolarHBondContact O-N 3.33Å; A82-I92 HydrophobicContact CB-CD1 3.22Å |
| 83 | L | 88.5 | Confident | 85.9 | Confident | 105 Ų | 105 | 92 Ų | 92 | 55% | 0.55 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.6 | -41 | 175 | -68.6 | 170.2 | 0 | 0 | 0 | 111.2 | L79 K80 A85 S86 N87 | L79-L83 WeakPolarHBondContact O-CB 3.16Å; L79-L83 WeakPolarHBondContact O-CG 3.32Å; L79-L83 PolarHBondContact O-N 2.84Å; K80-L83 PolarHBondContact O-N 3.27Å; L83-A85 VanDerWaalsContact C-N 3.32Å; L83-A85 PolarHBondContact O-N 3.46Å; L83-S86 WeakPolarHBondContact O-CB 3.46Å; L83-S86 PolarHBondContact O-N 2.85Å; L83-N87 WeakPolarHBondContact O-CB 3.41Å; L83-N87 PolarHBondContact O-N 3.43Å; L83-N87 PolarHBondContact O-ND2 3.42Å |
| 84 | D | 87 | Confident | 84.3 | Confident | 74 Ų | 74 | 91.6 Ų | 91.6 | 40% | 0.396 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 175.1 | -71.5 | -21.1 | 0 | 0 | 0 | 110.9 | K80 N87 Y88 | K80-D84 WeakPolarHBondContact O-CB 3.41Å; K80-D84 PolarHBondContact O-N 3.24Å; D84-N87 PolarHBondContact O-N 3.39Å; D84-Y88 WeakPolarHBondContact O-CD2 3.33Å |
| 85 | A | 84.7 | Confident | 82.5 | Confident | 31 Ų | 31 | 91.4 Ų | 91.4 | 26% | 0.256 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K81 A82 L83 N87 Y88 V90 | K81-A85 WeakPolarHBondContact O-CB 3.24Å; K81-A85 PolarHBondContact O-N 3.16Å; A82-A85 PolarHBondContact O-N 3.15Å; L83-A85 VanDerWaalsContact C-N 3.32Å; L83-A85 PolarHBondContact O-N 3.46Å; A85-N87 VanDerWaalsContact C-N 3.31Å; A85-N87 PolarHBondContact O-N 2.89Å; A85-Y88 PolarHBondContact O-N 2.85Å; A85-Y88 VanDerWaalsContact O-N 3.1Å; A85-V90 CarbonylContact C-O 3.32Å; A85-V90 VanDerWaalsContact C-O 3.32Å; A85-V90 HydrophobicContact CB-CB 4.46Å; A85-V90 WeakPolarHBondContact O-CB 3.44Å; A85-V90 PolarHBondContact O-N 2.67Å |
| 86 | S | 83.6 | Confident | 80.6 | Confident | 64 Ų | 64 | 92.8 Ų | 92.8 | 45% | 0.448 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.4 | -36.6 | 177.2 | -168.6 | 0 | 0 | 0 | 0 | 112.5 | A82 L83 Y88 G89 V90 | A82-S86 WeakPolarHBondContact O-CB 3.38Å; A82-S86 PolarHBondContact O-N 3.33Å; L83-S86 WeakPolarHBondContact O-CB 3.46Å; L83-S86 PolarHBondContact O-N 2.85Å; S86-Y88 PolarHBondContact O-N 2.67Å; S86-G89 WeakPolarHBondContact O-CA 3.28Å; S86-G89 PolarHBondContact O-N 3.23Å; S86-V90 WeakPolarHBondContact CA-O 3.42Å; S86-V90 PolarHBondContact N-O 2.85Å |
| 87 | N | 82.3 | Confident | 78.7 | Confident | 113 Ų | 113 | 92.8 Ų | 92.8 | 60% | 0.604 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64 | -21.7 | 176.3 | -71.5 | -24.2 | 0 | 0 | 0 | 112.7 | L83 D84 A85 G89 | L83-N87 WeakPolarHBondContact O-CB 3.41Å; L83-N87 PolarHBondContact O-N 3.43Å; L83-N87 PolarHBondContact O-ND2 3.42Å; D84-N87 PolarHBondContact O-N 3.39Å; A85-N87 VanDerWaalsContact C-N 3.31Å; A85-N87 PolarHBondContact O-N 2.89Å; N87-G89 VanDerWaalsContact C-N 3.32Å |
| 88 | Y | 78.8 | Confident | 76.8 | Confident | 101 Ų | 101 | 89.7 Ų | 89.7 | 40% | 0.396 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 11.1 | 171.2 | -65.9 | -67.1 | 0 | 0 | 0 | 113.1 | D84 A85 S86 V90 L126 | D84-Y88 WeakPolarHBondContact O-CD2 3.33Å; A85-Y88 PolarHBondContact O-N 2.85Å; A85-Y88 VanDerWaalsContact O-N 3.1Å; S86-Y88 PolarHBondContact O-N 2.67Å; Y88-V90 VanDerWaalsContact C-N 3.34Å; Y88-L126 HydrophobicContact CD1-CD2 4.49Å; Y88-L126 HydrophobicContact CD1-CG 4.06Å; Y88-L126 HydrophobicContact CG-CD2 4.15Å; Y88-L126 HydrophobicContact CG-CG 4.21Å |
| 89 | G | 75.9 | Confident | 75.5 | Confident | 23 Ų | 23 | 86.5 Ų | 86.5 | 24% | 0.237 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 7.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S86 N87 N101 H122 | S86-G89 WeakPolarHBondContact O-CA 3.28Å; S86-G89 PolarHBondContact O-N 3.23Å; N87-G89 VanDerWaalsContact C-N 3.32Å; G89-N101 VanDerWaalsContact C-ND2 3.32Å; G89-N101 PolarHBondContact O-ND2 2.93Å; G89-H122 VanDerWaalsContact CA-O 3.31Å; G89-H122 WeakPolarHBondContact CA-O 3.31Å |
| 90 | V | 80 | Confident | 74.6 | Confident | 73 Ų | 73 | 92 Ų | 92 | 44% | 0.442 | 50% | 0.504 | S | S | . | . | trans | -95.9 | 99.3 | -178.4 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | A85 S86 Y88 | A85-V90 CarbonylContact C-O 3.32Å; A85-V90 VanDerWaalsContact C-O 3.32Å; A85-V90 HydrophobicContact CB-CB 4.46Å; A85-V90 WeakPolarHBondContact O-CB 3.44Å; A85-V90 PolarHBondContact O-N 2.67Å; S86-V90 WeakPolarHBondContact CA-O 3.42Å; S86-V90 PolarHBondContact N-O 2.85Å; Y88-V90 VanDerWaalsContact C-N 3.34Å | ||
| 91 | S | 75.8 | Confident | 73.9 | Confident | 62 Ų | 62 | 86.8 Ų | 86.8 | 43% | 0.434 | 48% | 0.483 | S | S | . | . | trans | -72.9 | 137.6 | 175.3 | -179.1 | 0 | 0 | 0 | 0 | 111.7 | L93 | S91-L93 PolarHBondContact OG-N 3.41Å; S91-L93 PolarHBondContact OG-O 3.08Å | ||
| 92 | I | 76.3 | Confident | 73.7 | Confident | 95 Ų | 95 | 84.4 Ų | 84.4 | 49% | 0.487 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -87.3 | -22.2 | 168.6 | -68.7 | 158.4 | 0 | 0 | 0 | 111.2 | A82 | A82-I92 HydrophobicContact CB-CD1 3.22Š|
| 93 | L | 68.3 | Low | 73.7 | Confident | 137 Ų | 137 | 85 Ų | 85 | 72% | 0.717 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -83 | 127.3 | 178.3 | -62.5 | 164.3 | 0 | 0 | 0 | 107.9 | S91 | S91-L93 PolarHBondContact OG-N 3.41Å; S91-L93 PolarHBondContact OG-O 3.08Å |
| 94 | N | 59.2 | Low | 73.8 | Confident | 122 Ų | 122 | 87.9 Ų | 87.9 | 65% | 0.652 | 48% | 0.479 | S | S | * | . | S | Bend | trans | 95.6 | 149.3 | -175.4 | -54.2 | -37.6 | 0 | 0 | 0 | 115.6 | A96 | N94-A96 PolarHBondContact O-N 3.25Š|
| 95 | N | 53.7 | Low | 73.9 | Confident | 151 Ų | 151 | 85.1 Ų | 85.1 | 81% | 0.807 | 47% | 0.465 | S | S | * | . | trans | -70 | 61.8 | 168.2 | -169.9 | 3.6 | 0 | 0 | 0 | 109.3 | S97 | N95-S97 PolarHBondContact O-N 3Å; N95-S97 PolarHBondContact OD1-OG 3.48Å | ||
| 96 | A | 53.6 | Low | 74.2 | Confident | 45 Ų | 45 | 83.9 Ų | 83.9 | 37% | 0.372 | 45% | 0.454 | S | S | . | . | trans | -80.4 | 24 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N94 A98 N99 | N94-A96 PolarHBondContact O-N 3.25Å; A96-A98 PolarHBondContact O-N 3Å; A96-N99 PolarHBondContact O-N 2.84Å | ||
| 97 | S | 52.8 | Low | 74.7 | Confident | 95 Ų | 95 | 82.5 Ų | 82.5 | 66% | 0.664 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -12.1 | 179.5 | -47.3 | 0 | 0 | 0 | 0 | 113.5 | N95 | N95-S97 PolarHBondContact O-N 3Å; N95-S97 PolarHBondContact OD1-OG 3.48Å |
| 98 | A | 55.1 | Low | 75.2 | Confident | 80 Ų | 80 | 80.6 Ų | 80.6 | 66% | 0.661 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | -8.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | A96 | A96-A98 PolarHBondContact O-N 3Š|
| 99 | N | 64.8 | Low | 76 | Confident | 58 Ų | 58 | 75.9 Ų | 75.9 | 31% | 0.31 | 42% | 0.416 | S | S | . | . | trans | -109 | 95.9 | -178.2 | -75.6 | -10.4 | 0 | 0 | 0 | 109.9 | A96 | A96-N99 PolarHBondContact O-N 2.84Š| ||
| 100 | W | 72.6 | Confident | 76.9 | Confident | 188 Ų | 188 | 76.3 Ų | 76.3 | 71% | 0.712 | 41% | 0.411 | S | S | * | . | trans | -82.9 | 138.4 | 174.8 | -60.2 | -39.9 | 0 | 0 | 0 | 110.8 | W102 D103 | W100-W102 VanDerWaalsContact C-N 3.32Å; W100-D103 VanDerWaalsContact O-OD1 3.13Å | ||
| 101 | N | 78.9 | Confident | 77.6 | Confident | 30 Ų | 30 | 73.9 Ų | 73.9 | 16% | 0.16 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -18.3 | 174.8 | -66.4 | -7.8 | 0 | 0 | 0 | 112.6 | G89 S106 T123 | G89-N101 VanDerWaalsContact C-ND2 3.32Å; G89-N101 PolarHBondContact O-ND2 2.93Å; N101-S106 WeakPolarHBondContact O-CB 3.33Å; N101-T123 HydrophobicContact CB-CG2 3.86Å |
| 102 | W | 87.1 | Confident | 78.6 | Confident | 107 Ų | 107 | 71.9 Ų | 71.9 | 41% | 0.405 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 30.6 | -174.6 | -65.8 | 105.6 | 0 | 0 | 0 | 112.3 | W100 F110 | W100-W102 VanDerWaalsContact C-N 3.32Å; W102-F110 AromaticContact CH2-CD1 3.89Å; W102-F110 HydrophobicContact CH2-CD1 3.89Å; W102-F110 HydrophobicContact CH2-CD2 4.13Å; W102-F110 AromaticContact CH2-CE1 3.94Å; W102-F110 HydrophobicContact CH2-CE1 3.94Å; W102-F110 HydrophobicContact CH2-CE2 4.18Å; W102-F110 AromaticContact CH2-CG 3.99Å; W102-F110 HydrophobicContact CH2-CG 3.99Å; W102-F110 HydrophobicContact CH2-CZ 4.1Å; W102-F110 HydrophobicContact CZ3-CB 4.44Å; W102-F110 AromaticContact CZ3-CD1 3.79Å; W102-F110 HydrophobicContact CZ3-CD1 3.79Å; W102-F110 HydrophobicContact CZ3-CE1 4.2Å; W102-F110 HydrophobicContact CZ3-CG 4.01Å |
| 103 | D | 88.3 | Confident | 79.5 | Confident | 31 Ų | 31 | 67.5 Ų | 67.5 | 17% | 0.166 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -66.7 | 166.7 | 161.1 | 72.7 | -70.6 | 0 | 0 | 0 | 109.9 | W100 T105 S106 S107 | W100-D103 VanDerWaalsContact O-OD1 3.13Å; D103-T105 VanDerWaalsContact C-N 3.31Å; D103-T105 PolarHBondContact O-N 3.06Å; D103-T105 PolarHBondContact OD2-N 3.41Å; D103-T105 PolarHBondContact OD2-OG1 2.86Å; D103-S106 PolarHBondContact O-N 3.39Å; D103-S106 WeakPolarHBondContact OD1-CB 3.27Å; D103-S106 PolarHBondContact OD1-OG 3.46Å; D103-S106 PolarHBondContact OD2-N 3.28Å; D103-S107 VanDerWaalsContact O-CB 3.24Å; D103-S107 WeakPolarHBondContact O-CB 3.38Å; D103-S107 PolarHBondContact O-N 2.93Å; D103-S107 PolarHBondContact O-OG 2.85Å |
| 104 | F | 90.4 | Very high | 80.8 | Confident | 165 Ų | 165 | 62 Ų | 62 | 72% | 0.724 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -60.3 | -39.6 | -175.3 | 177.6 | -99.9 | 0 | 0 | 0 | 112.8 | S107 L108 | F104-S107 PolarHBondContact O-N 2.88Å; F104-L108 WeakPolarHBondContact O-CB 3.28Å; F104-L108 PolarHBondContact O-N 3.41Å |
| 105 | T | 90.8 | Very high | 82.6 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.8 | -40.2 | -176.4 | 66.9 | 0 | 0 | 0 | 0 | 112.2 | D103 L108 F109 E243 V247 | D103-T105 VanDerWaalsContact C-N 3.31Å; D103-T105 PolarHBondContact O-N 3.06Å; D103-T105 PolarHBondContact OD2-N 3.41Å; D103-T105 PolarHBondContact OD2-OG1 2.86Å; T105-L108 PolarHBondContact O-N 2.97Å; T105-F109 PolarHBondContact O-N 3.38Å; T105-E243 HydrophobicContact CG2-CB 3.88Å; T105-E243 HydrophobicContact CG2-CG 4.19Å; T105-V247 HydrophobicContact CG2-CG2 4.05Å |
| 106 | S | 90.1 | Very high | 84.5 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.7 | -35.5 | 172.3 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | N101 D103 F109 F110 | N101-S106 WeakPolarHBondContact O-CB 3.33Å; D103-S106 PolarHBondContact O-N 3.39Å; D103-S106 WeakPolarHBondContact OD1-CB 3.27Å; D103-S106 PolarHBondContact OD1-OG 3.46Å; D103-S106 PolarHBondContact OD2-N 3.28Å; S106-F109 WeakPolarHBondContact O-CB 3.49Å; S106-F109 PolarHBondContact O-N 3.47Å; S106-F110 WeakPolarHBondContact O-CB 3.01Å; S106-F110 PolarHBondContact O-N 3.4Å |
| 107 | S | 93.4 | Very high | 86.5 | Confident | 35 Ų | 35 | 52.7 Ų | 52.7 | 25% | 0.245 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 174.8 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | D103 F104 F110 A111 | D103-S107 VanDerWaalsContact O-CB 3.24Å; D103-S107 WeakPolarHBondContact O-CB 3.38Å; D103-S107 PolarHBondContact O-N 2.93Å; D103-S107 PolarHBondContact O-OG 2.85Å; F104-S107 PolarHBondContact O-N 2.88Å; S107-F110 PolarHBondContact O-N 3.2Å; S107-A111 WeakPolarHBondContact O-CB 3.38Å; S107-A111 PolarHBondContact O-N 2.96Å |
| 108 | L | 94.3 | Very high | 88.5 | Confident | 73 Ų | 73 | 48.6 Ų | 48.6 | 38% | 0.382 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 173.4 | 178.1 | 64.4 | 0 | 0 | 0 | 111.2 | F104 T105 A111 S112 | F104-L108 WeakPolarHBondContact O-CB 3.28Å; F104-L108 PolarHBondContact O-N 3.41Å; T105-L108 PolarHBondContact O-N 2.97Å; L108-A111 PolarHBondContact O-N 3.33Å; L108-S112 WeakPolarHBondContact O-CB 3.37Å; L108-S112 PolarHBondContact O-N 2.71Å |
| 109 | F | 93.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59 | -49.1 | 173.9 | 177.1 | -107.3 | 0 | 0 | 0 | 110.9 | T105 S106 A111 S112 T113 Y120 H122 V232 I249 L253 | T105-F109 PolarHBondContact O-N 3.38Å; S106-F109 WeakPolarHBondContact O-CB 3.49Å; S106-F109 PolarHBondContact O-N 3.47Å; F109-A111 PolarHBondContact O-N 3.41Å; F109-S112 PolarHBondContact O-N 3.17Å; F109-T113 HydrophobicContact CD1-CG2 4.44Å; F109-T113 HydrophobicContact CD2-CG2 4.24Å; F109-T113 HydrophobicContact CE1-CG2 4.21Å; F109-T113 HydrophobicContact CE2-CG2 3.98Å; F109-T113 HydrophobicContact CG-CG2 4.47Å; F109-T113 HydrophobicContact CZ-CG2 3.97Å; F109-T113 VanDerWaalsContact O-CG2 3.23Å; F109-T113 WeakPolarHBondContact O-CG2 3.44Å; F109-T113 PolarHBondContact O-N 3.12Å; F109-T113 PolarHBondContact O-OG1 2.9Å; F109-Y120 HydrophobicContact CE1-CD2 4.07Å; F109-Y120 HydrophobicContact CE1-CE2 4.19Å; F109-Y120 HydrophobicContact CE2-CE2 4.21Å; F109-Y120 AromaticContact CZ-CD2 3.83Å; F109-Y120 HydrophobicContact CZ-CD2 3.83Å; F109-Y120 AromaticContact CZ-CE2 3.48Å; F109-Y120 HydrophobicContact CZ-CE2 3.48Å; F109-Y120 VanDerWaalsContact CZ-CE2 3.48Å; F109-H122 AromaticContact CE1-CE1 3.65Å; F109-H122 AromaticContact CE1-NE2 3.84Å; F109-V232 HydrophobicContact CE1-CG1 4.01Å; F109-V232 HydrophobicContact CZ-CG1 4.17Å; F109-I249 HydrophobicContact CD2-CG2 4.43Å; F109-I249 HydrophobicContact CE2-CG2 3.73Å; F109-I249 HydrophobicContact CZ-CG2 4.49Å; F109-L253 HydrophobicContact CE2-CD1 3.68Å; F109-L253 HydrophobicContact CZ-CD1 4.37Å |
| 110 | F | 94.9 | Very high | 91.5 | Very high | 31 Ų | 31 | 44.4 Ų | 44.4 | 14% | 0.136 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.4 | -54 | 174.1 | 173.9 | -95.3 | 0 | 0 | 0 | 111.3 | W102 S106 S107 S112 T113 V114 T123 | W102-F110 AromaticContact CH2-CD1 3.89Å; W102-F110 HydrophobicContact CH2-CD1 3.89Å; W102-F110 HydrophobicContact CH2-CD2 4.13Å; W102-F110 AromaticContact CH2-CE1 3.94Å; W102-F110 HydrophobicContact CH2-CE1 3.94Å; W102-F110 HydrophobicContact CH2-CE2 4.18Å; W102-F110 AromaticContact CH2-CG 3.99Å; W102-F110 HydrophobicContact CH2-CG 3.99Å; W102-F110 HydrophobicContact CH2-CZ 4.1Å; W102-F110 HydrophobicContact CZ3-CB 4.44Å; W102-F110 AromaticContact CZ3-CD1 3.79Å; W102-F110 HydrophobicContact CZ3-CD1 3.79Å; W102-F110 HydrophobicContact CZ3-CE1 4.2Å; W102-F110 HydrophobicContact CZ3-CG 4.01Å; S106-F110 WeakPolarHBondContact O-CB 3.01Å; S106-F110 PolarHBondContact O-N 3.4Å; S107-F110 PolarHBondContact O-N 3.2Å; F110-S112 VanDerWaalsContact C-N 3.32Å; F110-S112 PolarHBondContact O-N 3.34Å; F110-T113 PolarHBondContact O-N 3.22Å; F110-T113 VanDerWaalsContact O-N 3.11Å; F110-T113 PolarHBondContact O-OG1 3.26Å; F110-V114 HydrophobicContact CD1-CG2 4.22Å; F110-V114 HydrophobicContact CD2-CG2 4.32Å; F110-V114 HydrophobicContact CE1-CG2 3.76Å; F110-V114 HydrophobicContact CE2-CG2 3.88Å; F110-V114 HydrophobicContact CG-CG2 4.47Å; F110-V114 HydrophobicContact CZ-CG2 3.57Å; F110-V114 WeakPolarHBondContact O-CG2 3.44Å; F110-V114 PolarHBondContact O-N 2.95Å; F110-T123 WeakPolarHBondContact CE2-O 3.37Å |
| 111 | A | 96 | Very high | 92.1 | Very high | 22 Ų | 22 | 37.8 Ų | 37.8 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.4 | -43.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | S107 L108 F109 V114 L115 Y137 | S107-A111 WeakPolarHBondContact O-CB 3.38Å; S107-A111 PolarHBondContact O-N 2.96Å; L108-A111 PolarHBondContact O-N 3.33Å; F109-A111 PolarHBondContact O-N 3.41Å; A111-V114 PolarHBondContact O-N 3.32Å; A111-L115 WeakPolarHBondContact O-CG 3.36Å; A111-L115 PolarHBondContact O-N 3.4Å; A111-Y137 HydrophobicContact CB-CE1 4.23Å |
| 112 | S | 95.6 | Very high | 92.3 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 14% | 0.14 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 176.1 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | L108 F109 F110 V114 L115 S116 | L108-S112 WeakPolarHBondContact O-CB 3.37Å; L108-S112 PolarHBondContact O-N 2.71Å; F109-S112 PolarHBondContact O-N 3.17Å; F110-S112 VanDerWaalsContact C-N 3.32Å; F110-S112 PolarHBondContact O-N 3.34Å; S112-V114 PolarHBondContact O-N 2.91Å; S112-L115 PolarHBondContact O-N 3.4Å; S112-S116 WeakPolarHBondContact O-CB 3.46Å; S112-S116 PolarHBondContact O-N 3.43Å; S112-S116 PolarHBondContact O-OG 2.9Å |
| 113 | T | 95.2 | Very high | 92.2 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.4 | -30.8 | 179.6 | 62.8 | 0 | 0 | 0 | 0 | 113.2 | F109 F110 S116 T117 T118 G119 Y120 L253 | F109-T113 HydrophobicContact CD1-CG2 4.44Å; F109-T113 HydrophobicContact CD2-CG2 4.24Å; F109-T113 HydrophobicContact CE1-CG2 4.21Å; F109-T113 HydrophobicContact CE2-CG2 3.98Å; F109-T113 HydrophobicContact CG-CG2 4.47Å; F109-T113 HydrophobicContact CZ-CG2 3.97Å; F109-T113 VanDerWaalsContact O-CG2 3.23Å; F109-T113 WeakPolarHBondContact O-CG2 3.44Å; F109-T113 PolarHBondContact O-N 3.12Å; F109-T113 PolarHBondContact O-OG1 2.9Å; F110-T113 PolarHBondContact O-N 3.22Å; F110-T113 VanDerWaalsContact O-N 3.11Å; F110-T113 PolarHBondContact O-OG1 3.26Å; T113-S116 VanDerWaalsContact CA-OG 3.31Å; T113-S116 WeakPolarHBondContact CA-OG 3.23Å; T113-S116 PolarHBondContact O-OG 3.06Å; T113-T117 PolarHBondContact O-N 3.4Å; T113-T118 PolarHBondContact O-N 2.87Å; T113-G119 PolarHBondContact O-N 3.33Å; T113-Y120 HydrophobicContact CG2-CD2 3.75Å; T113-Y120 HydrophobicContact CG2-CE2 3.58Å; T113-L253 HydrophobicContact CG2-CD1 4.41Å |
| 114 | V | 96.3 | Very high | 92.2 | Very high | 21 Ų | 21 | 33.6 Ų | 33.6 | 13% | 0.127 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.6 | -48.3 | 171.6 | 170 | 0 | 0 | 0 | 0 | 110.3 | F110 A111 S112 T117 Y137 S138 | F110-V114 HydrophobicContact CD1-CG2 4.22Å; F110-V114 HydrophobicContact CD2-CG2 4.32Å; F110-V114 HydrophobicContact CE1-CG2 3.76Å; F110-V114 HydrophobicContact CE2-CG2 3.88Å; F110-V114 HydrophobicContact CG-CG2 4.47Å; F110-V114 HydrophobicContact CZ-CG2 3.57Å; F110-V114 WeakPolarHBondContact O-CG2 3.44Å; F110-V114 PolarHBondContact O-N 2.95Å; A111-V114 PolarHBondContact O-N 3.32Å; S112-V114 PolarHBondContact O-N 2.91Å; V114-T117 PolarHBondContact O-N 3Å; V114-T117 VanDerWaalsContact O-N 3.14Å; V114-Y137 HydrophobicContact CG1-CD1 4.43Å; V114-S138 WeakPolarHBondContact CG1-OG 3.47Å |
| 115 | L | 96.1 | Very high | 92.2 | Very high | 28 Ų | 28 | 27 Ų | 27 | 15% | 0.147 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.3 | -31 | -178 | -69.4 | -161.7 | 0 | 0 | 0 | 114.1 | A111 S112 T117 Y137 | A111-L115 WeakPolarHBondContact O-CG 3.36Å; A111-L115 PolarHBondContact O-N 3.4Å; S112-L115 PolarHBondContact O-N 3.4Å; L115-T117 PolarHBondContact O-N 2.96Å; L115-Y137 HydrophobicContact CD1-CE1 4.12Å; L115-Y137 VanDerWaalsContact CD1-OH 3.24Å; L115-Y137 WeakPolarHBondContact CD1-OH 3.44Å; L115-Y137 HydrophobicContact CD2-CD1 3.96Å; L115-Y137 HydrophobicContact CD2-CE1 3.49Å; L115-Y137 VanDerWaalsContact CD2-CE1 3.49Å; L115-Y137 HydrophobicContact CG-CE1 3.63Å |
| 116 | S | 94.7 | Very high | 92.1 | Very high | 17 Ų | 17 | 30 Ų | 30 | 12% | 0.119 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -1.1 | 172.4 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | S112 T113 T118 T225 | S112-S116 WeakPolarHBondContact O-CB 3.46Å; S112-S116 PolarHBondContact O-N 3.43Å; S112-S116 PolarHBondContact O-OG 2.9Å; T113-S116 VanDerWaalsContact CA-OG 3.31Å; T113-S116 WeakPolarHBondContact CA-OG 3.23Å; T113-S116 PolarHBondContact O-OG 3.06Å; S116-T118 PolarHBondContact O-N 3.26Å; S116-T225 WeakPolarHBondContact O-CG2 3.36Å |
| 117 | T | 95.6 | Very high | 92.3 | Very high | 78 Ų | 78 | 33.2 Ų | 33.2 | 48% | 0.479 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 20.5 | -179.3 | 66.4 | 0 | 0 | 0 | 0 | 114.9 | T113 V114 L115 I142 | T113-T117 PolarHBondContact O-N 3.4Å; V114-T117 PolarHBondContact O-N 3Å; V114-T117 VanDerWaalsContact O-N 3.14Å; L115-T117 PolarHBondContact O-N 2.96Å; T117-I142 HydrophobicContact CG2-CD1 3.89Å; T117-I142 HydrophobicContact CG2-CG1 4.04Å; T117-I142 HydrophobicContact CG2-CG2 4.35Å |
| 118 | T | 95 | Very high | 92.4 | Very high | 10 Ų | 10 | 37.7 Ų | 37.7 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | trans | -74.8 | -50.1 | 172 | -57 | 0 | 0 | 0 | 0 | 110.7 | T113 S116 Y120 G227 | T113-T118 PolarHBondContact O-N 2.87Å; S116-T118 PolarHBondContact O-N 3.26Å; T118-Y120 HydrophobicContact CG2-CD1 4.22Å; T118-Y120 HydrophobicContact CG2-CD2 4.42Å; T118-Y120 HydrophobicContact CG2-CE1 3.79Å; T118-Y120 HydrophobicContact CG2-CE2 4.02Å; T118-G227 WeakPolarHBondContact O-CA 3.29Å | ||
| 119 | G | 92.3 | Very high | 92.5 | Very high | 42 Ų | 42 | 36.6 Ų | 36.6 | 43% | 0.433 | 25% | 0.247 | S | C | . | . | trans | 53.3 | 58.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | T113 G121 | T113-G119 PolarHBondContact O-N 3.33Å; G119-G121 PolarHBondContact O-N 3.14Å | ||
| 120 | Y | 90.7 | Very high | 92.6 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | trans | -53 | -21.8 | -177.6 | -63.4 | -69.1 | 0 | 0 | 0 | 116.7 | F109 T113 T118 H122 F218 S222 G227 G229 V232 L253 | F109-Y120 HydrophobicContact CE1-CD2 4.07Å; F109-Y120 HydrophobicContact CE1-CE2 4.19Å; F109-Y120 HydrophobicContact CE2-CE2 4.21Å; F109-Y120 AromaticContact CZ-CD2 3.83Å; F109-Y120 HydrophobicContact CZ-CD2 3.83Å; F109-Y120 AromaticContact CZ-CE2 3.48Å; F109-Y120 HydrophobicContact CZ-CE2 3.48Å; F109-Y120 VanDerWaalsContact CZ-CE2 3.48Å; T113-Y120 HydrophobicContact CG2-CD2 3.75Å; T113-Y120 HydrophobicContact CG2-CE2 3.58Å; T118-Y120 HydrophobicContact CG2-CD1 4.22Å; T118-Y120 HydrophobicContact CG2-CD2 4.42Å; T118-Y120 HydrophobicContact CG2-CE1 3.79Å; T118-Y120 HydrophobicContact CG2-CE2 4.02Å; Y120-H122 WeakPolarHBondContact CB-ND1 3.44Å; Y120-H122 PolarHBondContact O-N 3.49Å; Y120-F218 HydrophobicContact CE1-CE2 4.22Å; Y120-S222 WeakPolarHBondContact OH-CB 3.34Å; Y120-S222 PolarHBondContact OH-OG 3.49Å; Y120-G227 WeakPolarHBondContact CA-O 3.35Å; Y120-G229 VanDerWaalsContact O-CA 3.31Å; Y120-G229 WeakPolarHBondContact O-CA 3.44Å; Y120-V232 HydrophobicContact CD1-CG2 4.24Å; Y120-V232 HydrophobicContact CG-CG2 4.11Å; Y120-L253 HydrophobicContact CE2-CD1 4.1Å; Y120-L253 WeakPolarHBondContact OH-CD1 3.42Å | ||
| 121 | G | 85.5 | Confident | 92.6 | Very high | 49 Ų | 49 | 40 Ų | 40 | 51% | 0.505 | 27% | 0.268 | S | S | . | . | trans | 73.5 | -13.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | G119 T123 | G119-G121 PolarHBondContact O-N 3.14Å; G121-T123 PolarHBondContact O-N 3.46Å; G121-T123 VanDerWaalsContact O-N 3.16Å | ||
| 122 | H | 82.3 | Confident | 92.7 | Very high | 39 Ų | 39 | 41.2 Ų | 41.2 | 18% | 0.181 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -57.1 | -26.9 | 172.8 | 69.1 | -69.2 | 0 | 0 | 0 | 113.4 | G89 F109 Y120 V232 | G89-H122 VanDerWaalsContact CA-O 3.31Å; G89-H122 WeakPolarHBondContact CA-O 3.31Å; F109-H122 AromaticContact CE1-CE1 3.65Å; F109-H122 AromaticContact CE1-NE2 3.84Å; Y120-H122 WeakPolarHBondContact CB-ND1 3.44Å; Y120-H122 PolarHBondContact O-N 3.49Å; H122-V232 HydrophobicContact CB-CG2 4.27Å |
| 123 | T | 84.9 | Confident | 92.8 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 7% | 0.067 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -126.5 | 127.3 | 170.9 | 46.2 | 0 | 0 | 0 | 0 | 109.4 | N101 F110 G121 | N101-T123 HydrophobicContact CB-CG2 3.86Å; F110-T123 WeakPolarHBondContact CE2-O 3.37Å; G121-T123 PolarHBondContact O-N 3.46Å; G121-T123 VanDerWaalsContact O-N 3.16Å |
| 124 | A | 88.2 | Confident | 92.9 | Very high | 31 Ų | 31 | 47.8 Ų | 47.8 | 26% | 0.256 | 31% | 0.307 | S | S | . | . | trans | -138.5 | 146 | -179 | 0 | 0 | 0 | 0 | 0 | 110.9 | L126 | A124-L126 WeakPolarHBondContact O-CD1 3.43Å; A124-L126 PolarHBondContact O-N 2.95Å | ||
| 125 | P | 91.2 | Very high | 92.9 | Very high | 25 Ų | 25 | 52.1 Ų | 52.1 | 16% | 0.162 | 33% | 0.329 | C | S | . | . | trans | -63.1 | 124 | -179 | 24.6 | -33 | 0 | 0 | 0 | 111.2 | K131 C134 | P125-K131 HydrophobicContact CB-CG 4.24Å; P125-K131 HydrophobicContact CG-CG 3.98Å; P125-K131 VanDerWaalsContact O-CE 3.23Å; P125-K131 WeakPolarHBondContact O-CE 3.37Å; P125-C134 HydrophobicContact CG-CB 4.28Å | ||
| 126 | L | 88.8 | Confident | 93 | Very high | 80 Ų | 80 | 55.8 Ų | 55.8 | 42% | 0.419 | 35% | 0.347 | S | S | . | . | trans | -80.7 | -43.2 | -176 | -64.4 | 90 | 0 | 0 | 0 | 112 | Y88 A124 K131 | Y88-L126 HydrophobicContact CD1-CD2 4.49Å; Y88-L126 HydrophobicContact CD1-CG 4.06Å; Y88-L126 HydrophobicContact CG-CD2 4.15Å; Y88-L126 HydrophobicContact CG-CG 4.21Å; A124-L126 WeakPolarHBondContact O-CD1 3.43Å; A124-L126 PolarHBondContact O-N 2.95Å; L126-K131 PolarHBondContact O-NZ 2.96Å | ||
| 127 | S | 93.6 | Very high | 93.1 | Very high | 74 Ų | 74 | 58.7 Ų | 58.7 | 52% | 0.517 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -80.2 | 150.2 | -175.9 | 68.7 | 0 | 0 | 0 | 0 | 112.4 | G129 G130 K131 | S127-G129 PolarHBondContact O-N 2.92Å; S127-G130 PolarHBondContact O-N 3.28Å; S127-G130 VanDerWaalsContact O-N 3.08Å; S127-G130 PolarHBondContact OG-N 3.31Å; S127-K131 WeakPolarHBondContact O-CG 3.36Å; S127-K131 PolarHBondContact O-N 2.87Å |
| 128 | D | 95.3 | Very high | 93.2 | Very high | 128 Ų | 128 | 56.1 Ų | 56.1 | 68% | 0.684 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.1 | -34.2 | 175.5 | -63.6 | -23.2 | 0 | 0 | 0 | 111.7 | K131 A132 | D128-K131 PolarHBondContact O-N 2.96Å; D128-K131 IonicContact OD1-NZ 2.67Å; D128-A132 WeakPolarHBondContact O-CB 3.36Å; D128-A132 PolarHBondContact O-N 2.9Å |
| 129 | G | 97.1 | Very high | 93.3 | Very high | 51 Ų | 51 | 60.4 Ų | 60.4 | 53% | 0.526 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113 | S127 A132 F133 | S127-G129 PolarHBondContact O-N 2.92Å; G129-A132 PolarHBondContact O-N 3.01Å; G129-F133 WeakPolarHBondContact O-CB 3.02Å; G129-F133 PolarHBondContact O-N 3.19Å |
| 130 | G | 95.3 | Very high | 93.6 | Very high | 22 Ų | 22 | 64.1 Ų | 64.1 | 23% | 0.227 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S127 F133 C134 | S127-G130 PolarHBondContact O-N 3.28Å; S127-G130 VanDerWaalsContact O-N 3.08Å; S127-G130 PolarHBondContact OG-N 3.31Å; G130-F133 PolarHBondContact O-N 3.38Å; G130-C134 WeakPolarHBondContact O-CB 3.15Å; G130-C134 PolarHBondContact O-N 3.4Å |
| 131 | K | 95.3 | Very high | 93.9 | Very high | 81 Ų | 81 | 64.2 Ų | 64.2 | 35% | 0.352 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 174 | -68.1 | 169.2 | -170.1 | 162.6 | 0 | 111.3 | P125 L126 S127 D128 C134 I135 | P125-K131 HydrophobicContact CB-CG 4.24Å; P125-K131 HydrophobicContact CG-CG 3.98Å; P125-K131 VanDerWaalsContact O-CE 3.23Å; P125-K131 WeakPolarHBondContact O-CE 3.37Å; L126-K131 PolarHBondContact O-NZ 2.96Å; S127-K131 WeakPolarHBondContact O-CG 3.36Å; S127-K131 PolarHBondContact O-N 2.87Å; D128-K131 PolarHBondContact O-N 2.96Å; D128-K131 IonicContact OD1-NZ 2.67Å; K131-C134 WeakPolarHBondContact O-CB 3.5Å; K131-C134 PolarHBondContact O-N 3.26Å; K131-I135 WeakPolarHBondContact O-CG1 3.48Å; K131-I135 PolarHBondContact O-N 2.99Å; K131-I135 VanDerWaalsContact O-N 3.09Å |
| 132 | A | 97.7 | Very high | 94.4 | Very high | 48 Ų | 48 | 64.4 Ų | 64.4 | 40% | 0.397 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | D128 G129 C134 I135 I136 | D128-A132 WeakPolarHBondContact O-CB 3.36Å; D128-A132 PolarHBondContact O-N 2.9Å; G129-A132 PolarHBondContact O-N 3.01Å; A132-C134 PolarHBondContact O-N 3.09Å; A132-I135 PolarHBondContact O-N 3.47Å; A132-I136 WeakPolarHBondContact O-CG1 3.45Å; A132-I136 PolarHBondContact O-N 3.47Å; A132-I136 VanDerWaalsContact O-N 3.17Å |
| 133 | F | 97.4 | Very high | 95.1 | Very high | 135 Ų | 135 | 66.1 Ų | 66.1 | 59% | 0.592 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.3 | -44.9 | 174.4 | 176 | -104.1 | 0 | 0 | 0 | 111.7 | G129 G130 I135 I136 Y137 | G129-F133 WeakPolarHBondContact O-CB 3.02Å; G129-F133 PolarHBondContact O-N 3.19Å; G130-F133 PolarHBondContact O-N 3.38Å; F133-I135 VanDerWaalsContact C-N 3.28Å; F133-I135 PolarHBondContact O-N 3.45Å; F133-I136 PolarHBondContact O-N 3.02Å; F133-Y137 HydrophobicContact CE1-CG 4.4Å; F133-Y137 HydrophobicContact CZ-CD2 4.23Å; F133-Y137 HydrophobicContact CZ-CG 4.4Å; F133-Y137 WeakPolarHBondContact O-CB 3.44Å; F133-Y137 PolarHBondContact O-N 3.4Å |
| 134 | C | 96.9 | Very high | 95.7 | Very high | 26 Ų | 26 | 72.1 Ų | 72.1 | 18% | 0.176 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58.1 | -39.7 | 178 | -170.5 | 0 | 0 | 0 | 0 | 112.1 | P125 G130 K131 A132 S138 | P125-C134 HydrophobicContact CG-CB 4.28Å; G130-C134 WeakPolarHBondContact O-CB 3.15Å; G130-C134 PolarHBondContact O-N 3.4Å; K131-C134 WeakPolarHBondContact O-CB 3.5Å; K131-C134 PolarHBondContact O-N 3.26Å; A132-C134 PolarHBondContact O-N 3.09Å; C134-S138 VanDerWaalsContact O-CB 3.28Å; C134-S138 WeakPolarHBondContact O-CB 3.3Å; C134-S138 PolarHBondContact O-N 2.94Å; C134-S138 PolarHBondContact O-OG 3.32Å |
| 135 | I | 97.3 | Very high | 96.1 | Very high | 112 Ų | 112 | 71.7 Ų | 71.7 | 57% | 0.574 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.8 | -54.1 | 175.5 | -66.8 | 166.2 | 0 | 0 | 0 | 110.3 | K131 A132 F133 Y137 S138 V139 | K131-I135 WeakPolarHBondContact O-CG1 3.48Å; K131-I135 PolarHBondContact O-N 2.99Å; K131-I135 VanDerWaalsContact O-N 3.09Å; A132-I135 PolarHBondContact O-N 3.47Å; F133-I135 VanDerWaalsContact C-N 3.28Å; F133-I135 PolarHBondContact O-N 3.45Å; I135-Y137 VanDerWaalsContact C-N 3.34Å; I135-Y137 PolarHBondContact O-N 3.02Å; I135-S138 PolarHBondContact O-N 3.42Å; I135-V139 WeakPolarHBondContact O-CG2 3.4Å; I135-V139 PolarHBondContact O-N 3Å |
| 136 | I | 97.8 | Very high | 96.3 | Very high | 105 Ų | 105 | 75.4 Ų | 75.4 | 54% | 0.538 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | -177.8 | -62.8 | 166.6 | 0 | 0 | 0 | 110.8 | A132 F133 S138 V139 I140 | A132-I136 WeakPolarHBondContact O-CG1 3.45Å; A132-I136 PolarHBondContact O-N 3.47Å; A132-I136 VanDerWaalsContact O-N 3.17Å; F133-I136 PolarHBondContact O-N 3.02Å; I136-S138 VanDerWaalsContact C-N 3.34Å; I136-S138 PolarHBondContact O-N 2.84Å; I136-V139 PolarHBondContact O-N 2.91Å; I136-I140 HydrophobicContact CG2-CD1 4.29Å; I136-I140 PolarHBondContact O-N 3.14Å |
| 137 | Y | 97.6 | Very high | 96.6 | Very high | 79 Ų | 79 | 77.3 Ų | 77.3 | 31% | 0.31 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 177.2 | 180 | -110.3 | 0 | 0 | 0 | 111.8 | A111 V114 L115 F133 I135 G141 | A111-Y137 HydrophobicContact CB-CE1 4.23Å; V114-Y137 HydrophobicContact CG1-CD1 4.43Å; L115-Y137 HydrophobicContact CD1-CE1 4.12Å; L115-Y137 VanDerWaalsContact CD1-OH 3.24Å; L115-Y137 WeakPolarHBondContact CD1-OH 3.44Å; L115-Y137 HydrophobicContact CD2-CD1 3.96Å; L115-Y137 HydrophobicContact CD2-CE1 3.49Å; L115-Y137 VanDerWaalsContact CD2-CE1 3.49Å; L115-Y137 HydrophobicContact CG-CE1 3.63Å; F133-Y137 HydrophobicContact CE1-CG 4.4Å; F133-Y137 HydrophobicContact CZ-CD2 4.23Å; F133-Y137 HydrophobicContact CZ-CG 4.4Å; F133-Y137 WeakPolarHBondContact O-CB 3.44Å; F133-Y137 PolarHBondContact O-N 3.4Å; I135-Y137 VanDerWaalsContact C-N 3.34Å; I135-Y137 PolarHBondContact O-N 3.02Å; Y137-G141 WeakPolarHBondContact O-CA 3.4Å; Y137-G141 PolarHBondContact O-N 3.12Å |
| 138 | S | 96.9 | Very high | 96.7 | Very high | 23 Ų | 23 | 78.4 Ų | 78.4 | 16% | 0.161 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -70.5 | -39.4 | 179.8 | -56.7 | 0 | 0 | 0 | 0 | 112.6 | V114 C134 I135 I136 I140 G141 I142 | V114-S138 WeakPolarHBondContact CG1-OG 3.47Å; C134-S138 VanDerWaalsContact O-CB 3.28Å; C134-S138 WeakPolarHBondContact O-CB 3.3Å; C134-S138 PolarHBondContact O-N 2.94Å; C134-S138 PolarHBondContact O-OG 3.32Å; I135-S138 PolarHBondContact O-N 3.42Å; I136-S138 VanDerWaalsContact C-N 3.34Å; I136-S138 PolarHBondContact O-N 2.84Å; S138-I140 VanDerWaalsContact C-N 3.28Å; S138-I140 PolarHBondContact O-N 3.28Å; S138-G141 PolarHBondContact O-N 2.89Å; S138-I142 VanDerWaalsContact O-CB 3.32Å; S138-I142 WeakPolarHBondContact O-CB 3.14Å; S138-I142 VanDerWaalsContact O-CG1 3.3Å; S138-I142 WeakPolarHBondContact O-CG1 3.47Å; S138-I142 PolarHBondContact O-N 2.9Å |
| 139 | V | 97.6 | Very high | 96.7 | Very high | 101 Ų | 101 | 73 Ų | 73 | 61% | 0.612 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.1 | -38.6 | 178.8 | 167.7 | 0 | 0 | 0 | 0 | 111.8 | I135 I136 P143 | I135-V139 WeakPolarHBondContact O-CG2 3.4Å; I135-V139 PolarHBondContact O-N 3Å; I136-V139 PolarHBondContact O-N 2.91Å; V139-P143 WeakPolarHBondContact O-CD 3.39Å; V139-P143 VanDerWaalsContact O-CG 3.27Å; V139-P143 WeakPolarHBondContact O-CG 3.35Å |
| 140 | I | 97.6 | Very high | 96.6 | Very high | 120 Ų | 120 | 74.5 Ų | 74.5 | 62% | 0.615 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -86.5 | -42.6 | 178.7 | -60.2 | 171.5 | 0 | 0 | 0 | 110.8 | I136 S138 P143 F144 | I136-I140 HydrophobicContact CG2-CD1 4.29Å; I136-I140 PolarHBondContact O-N 3.14Å; S138-I140 VanDerWaalsContact C-N 3.28Å; S138-I140 PolarHBondContact O-N 3.28Å; I140-P143 WeakPolarHBondContact O-CD 3.12Å; I140-F144 PolarHBondContact O-N 2.96Å |
| 141 | G | 97.6 | Very high | 96.7 | Very high | 9 Ų | 9 | 76.3 Ų | 76.3 | 9% | 0.093 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -73.1 | -37.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y137 S138 F144 T145 | Y137-G141 WeakPolarHBondContact O-CA 3.4Å; Y137-G141 PolarHBondContact O-N 3.12Å; S138-G141 PolarHBondContact O-N 2.89Å; G141-F144 PolarHBondContact O-N 3.38Å; G141-T145 WeakPolarHBondContact O-CB 3.17Å; G141-T145 PolarHBondContact O-N 3.3Å; G141-T145 PolarHBondContact O-OG1 2.81Å |
| 142 | I | 96.6 | Very high | 96.8 | Very high | 53 Ų | 53 | 74.1 Ų | 74.1 | 27% | 0.272 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.4 | -50.3 | 179.5 | -67.5 | 168.6 | 0 | 0 | 0 | 111.2 | T117 S138 F144 T145 L146 | T117-I142 HydrophobicContact CG2-CD1 3.89Å; T117-I142 HydrophobicContact CG2-CG1 4.04Å; T117-I142 HydrophobicContact CG2-CG2 4.35Å; S138-I142 VanDerWaalsContact O-CB 3.32Å; S138-I142 WeakPolarHBondContact O-CB 3.14Å; S138-I142 VanDerWaalsContact O-CG1 3.3Å; S138-I142 WeakPolarHBondContact O-CG1 3.47Å; S138-I142 PolarHBondContact O-N 2.9Å; I142-F144 VanDerWaalsContact C-N 3.3Å; I142-F144 PolarHBondContact O-N 2.94Å; I142-T145 PolarHBondContact O-N 2.88Å; I142-L146 HydrophobicContact CG2-CD1 4.13Å; I142-L146 HydrophobicContact CG2-CG 4.4Å; I142-L146 WeakPolarHBondContact O-CG 3.4Å; I142-L146 PolarHBondContact O-N 3.46Å |
| 143 | P | 97.5 | Very high | 96.7 | Very high | 75 Ų | 75 | 72.2 Ų | 72.2 | 49% | 0.487 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.9 | -40.5 | 174.2 | -26.1 | 35.1 | 0 | 0 | 0 | 113.3 | V139 I140 L146 L147 | V139-P143 WeakPolarHBondContact O-CD 3.39Å; V139-P143 VanDerWaalsContact O-CG 3.27Å; V139-P143 WeakPolarHBondContact O-CG 3.35Å; I140-P143 WeakPolarHBondContact O-CD 3.12Å; P143-L146 PolarHBondContact O-N 2.89Å; P143-L147 PolarHBondContact O-N 2.64Å |
| 144 | F | 96.9 | Very high | 96.6 | Very high | 137 Ų | 137 | 69 Ų | 69 | 60% | 0.601 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.6 | -45.1 | 176.4 | 179.5 | -96.5 | 0 | 0 | 0 | 111.7 | I140 G141 I142 L147 F148 | I140-F144 PolarHBondContact O-N 2.96Å; G141-F144 PolarHBondContact O-N 3.38Å; I142-F144 VanDerWaalsContact C-N 3.3Å; I142-F144 PolarHBondContact O-N 2.94Å; F144-L147 PolarHBondContact O-N 3.49Å; F144-F148 WeakPolarHBondContact O-CB 3.34Å; F144-F148 PolarHBondContact O-N 3.09Å |
| 145 | T | 95.9 | Very high | 96.6 | Very high | 21 Ų | 21 | 76.6 Ų | 76.6 | 13% | 0.129 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 176 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | G141 I142 L147 F148 L149 | G141-T145 WeakPolarHBondContact O-CB 3.17Å; G141-T145 PolarHBondContact O-N 3.3Å; G141-T145 PolarHBondContact O-OG1 2.81Å; I142-T145 PolarHBondContact O-N 2.88Å; T145-L147 VanDerWaalsContact C-N 3.34Å; T145-L147 PolarHBondContact O-N 2.79Å; T145-F148 PolarHBondContact O-N 3.48Å; T145-L149 HydrophobicContact CG2-CD1 3.74Å; T145-L149 HydrophobicContact CG2-CG 4.11Å; T145-L149 WeakPolarHBondContact O-CB 3.44Å; T145-L149 VanDerWaalsContact O-CG 3.27Å; T145-L149 WeakPolarHBondContact O-CG 3.47Å; T145-L149 PolarHBondContact O-N 3.36Å |
| 146 | L | 94.8 | Very high | 96.5 | Very high | 103 Ų | 103 | 74.4 Ų | 74.4 | 54% | 0.539 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 175.9 | -71.5 | 174.5 | 0 | 0 | 0 | 111.9 | I142 P143 T150 | I142-L146 HydrophobicContact CG2-CD1 4.13Å; I142-L146 HydrophobicContact CG2-CG 4.4Å; I142-L146 WeakPolarHBondContact O-CG 3.4Å; I142-L146 PolarHBondContact O-N 3.46Å; P143-L146 PolarHBondContact O-N 2.89Å; L146-T150 VanDerWaalsContact O-CB 3.28Å; L146-T150 WeakPolarHBondContact O-CB 3.5Å; L146-T150 PolarHBondContact O-N 3.29Å; L146-T150 PolarHBondContact O-OG1 3.09Å |
| 147 | L | 96.1 | Very high | 96.4 | Very high | 121 Ų | 121 | 69.4 Ų | 69.4 | 63% | 0.634 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.1 | -47.9 | 174.7 | 176.6 | 63.7 | 0 | 0 | 0 | 111.3 | P143 F144 T145 T150 A151 | P143-L147 PolarHBondContact O-N 2.64Å; F144-L147 PolarHBondContact O-N 3.49Å; T145-L147 VanDerWaalsContact C-N 3.34Å; T145-L147 PolarHBondContact O-N 2.79Å; L147-T150 PolarHBondContact O-N 2.91Å; L147-A151 WeakPolarHBondContact O-CB 3.19Å; L147-A151 PolarHBondContact O-N 2.98Å |
| 148 | F | 96.6 | Very high | 96.3 | Very high | 96 Ų | 96 | 68.1 Ų | 68.1 | 42% | 0.421 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.2 | -53.4 | 177.7 | 168.3 | -101 | 0 | 0 | 0 | 111.7 | F144 T145 T150 A151 V152 | F144-F148 WeakPolarHBondContact O-CB 3.34Å; F144-F148 PolarHBondContact O-N 3.09Å; T145-F148 PolarHBondContact O-N 3.48Å; F148-T150 VanDerWaalsContact C-N 3.33Å; F148-T150 PolarHBondContact O-N 2.86Å; F148-A151 PolarHBondContact O-N 3.27Å; F148-V152 HydrophobicContact CD2-CG2 4.06Å; F148-V152 HydrophobicContact CE1-CG2 4.29Å; F148-V152 HydrophobicContact CE2-CG2 3.66Å; F148-V152 HydrophobicContact CZ-CG2 3.8Å; F148-V152 WeakPolarHBondContact O-CB 3.26Å; F148-V152 WeakPolarHBondContact O-CG2 3.27Å; F148-V152 PolarHBondContact O-N 3.06Å |
| 149 | L | 95.3 | Very high | 96.1 | Very high | 16 Ų | 16 | 72.3 Ų | 72.3 | 8% | 0.084 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 179.4 | -71.3 | 174.1 | 0 | 0 | 0 | 110.9 | T145 A151 V152 V153 L257 I258 L261 | T145-L149 HydrophobicContact CG2-CD1 3.74Å; T145-L149 HydrophobicContact CG2-CG 4.11Å; T145-L149 WeakPolarHBondContact O-CB 3.44Å; T145-L149 VanDerWaalsContact O-CG 3.27Å; T145-L149 WeakPolarHBondContact O-CG 3.47Å; T145-L149 PolarHBondContact O-N 3.36Å; L149-A151 PolarHBondContact O-N 3.24Å; L149-V152 PolarHBondContact O-N 2.62Å; L149-V153 VanDerWaalsContact O-CB 3.26Å; L149-V153 WeakPolarHBondContact O-CB 3.34Å; L149-V153 WeakPolarHBondContact O-CG2 3.46Å; L149-V153 PolarHBondContact O-N 3.06Å; L149-L257 HydrophobicContact CD1-CD2 3.88Å; L149-L257 HydrophobicContact CD1-CG 4.5Å; L149-L257 HydrophobicContact CD2-CD2 4.47Å; L149-I258 HydrophobicContact CD2-CG1 3.72Å; L149-L261 HydrophobicContact CB-CD1 4.02Å; L149-L261 HydrophobicContact CD1-CD1 3.94Å; L149-L261 HydrophobicContact CD2-CD1 4.23Å; L149-L261 HydrophobicContact CG-CD1 4.29Å |
| 150 | T | 94.3 | Very high | 95.9 | Very high | 82 Ų | 82 | 69.3 Ų | 69.3 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.2 | -47.6 | 177.4 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | L146 L147 F148 V152 V153 Q154 | L146-T150 VanDerWaalsContact O-CB 3.28Å; L146-T150 WeakPolarHBondContact O-CB 3.5Å; L146-T150 PolarHBondContact O-N 3.29Å; L146-T150 PolarHBondContact O-OG1 3.09Å; L147-T150 PolarHBondContact O-N 2.91Å; F148-T150 VanDerWaalsContact C-N 3.33Å; F148-T150 PolarHBondContact O-N 2.86Å; T150-V152 PolarHBondContact O-N 2.73Å; T150-V153 PolarHBondContact O-N 2.9Å; T150-Q154 HydrophobicContact CG2-CG 4.37Å; T150-Q154 WeakPolarHBondContact O-CB 3.27Å; T150-Q154 VanDerWaalsContact O-CG 3.23Å; T150-Q154 WeakPolarHBondContact O-CG 3.29Å; T150-Q154 PolarHBondContact O-N 3.06Å |
| 151 | A | 96.7 | Very high | 95.7 | Very high | 59 Ų | 59 | 63.8 Ų | 63.8 | 49% | 0.488 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L147 F148 L149 R155 | L147-A151 WeakPolarHBondContact O-CB 3.19Å; L147-A151 PolarHBondContact O-N 2.98Å; F148-A151 PolarHBondContact O-N 3.27Å; L149-A151 PolarHBondContact O-N 3.24Å; A151-R155 WeakPolarHBondContact O-CB 3.43Å; A151-R155 PolarHBondContact O-N 3.42Å; A151-R155 VanDerWaalsContact O-N 3.09Å |
| 152 | V | 97.3 | Very high | 95.5 | Very high | 36 Ų | 36 | 68.5 Ų | 68.5 | 22% | 0.218 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.4 | -49.8 | 178.4 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | F148 L149 T150 Q154 R155 I156 I258 | F148-V152 HydrophobicContact CD2-CG2 4.06Å; F148-V152 HydrophobicContact CE1-CG2 4.29Å; F148-V152 HydrophobicContact CE2-CG2 3.66Å; F148-V152 HydrophobicContact CZ-CG2 3.8Å; F148-V152 WeakPolarHBondContact O-CB 3.26Å; F148-V152 WeakPolarHBondContact O-CG2 3.27Å; F148-V152 PolarHBondContact O-N 3.06Å; L149-V152 PolarHBondContact O-N 2.62Å; T150-V152 PolarHBondContact O-N 2.73Å; V152-Q154 PolarHBondContact O-N 2.96Å; V152-R155 PolarHBondContact O-N 3.35Å; V152-I156 HydrophobicContact CG1-CD1 3.58Å; V152-I156 HydrophobicContact CG1-CG1 4.29Å; V152-I156 WeakPolarHBondContact O-CG1 3.15Å; V152-I156 PolarHBondContact O-N 2.93Å; V152-I258 HydrophobicContact CG1-CD1 4.16Å; V152-I258 HydrophobicContact CG1-CG1 4.4Å; V152-I258 HydrophobicContact CG1-CG2 3.86Å |
| 153 | V | 96.4 | Very high | 95.3 | Very high | 8 Ų | 8 | 73.1 Ų | 73.1 | 5% | 0.048 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.9 | -47.6 | 179.5 | 168.6 | 0 | 0 | 0 | 0 | 110.8 | L149 T150 R155 I156 M157 L261 V262 E265 | L149-V153 VanDerWaalsContact O-CB 3.26Å; L149-V153 WeakPolarHBondContact O-CB 3.34Å; L149-V153 WeakPolarHBondContact O-CG2 3.46Å; L149-V153 PolarHBondContact O-N 3.06Å; T150-V153 PolarHBondContact O-N 2.9Å; V153-R155 VanDerWaalsContact C-N 3.32Å; V153-R155 PolarHBondContact O-N 3.26Å; V153-I156 PolarHBondContact O-N 3.38Å; V153-M157 HydrophobicContact CG1-CG 4.29Å; V153-M157 HydrophobicContact CG1-SD 3.66Å; V153-M157 WeakPolarHBondContact O-CB 3.42Å; V153-M157 VanDerWaalsContact O-CG 3.29Å; V153-M157 WeakPolarHBondContact O-CG 3.45Å; V153-M157 PolarHBondContact O-N 2.89Å; V153-L261 HydrophobicContact CG2-CB 3.62Å; V153-L261 HydrophobicContact CG2-CD1 4.28Å; V153-V262 HydrophobicContact CB-CG2 4.32Å; V153-V262 HydrophobicContact CG1-CG2 3.99Å; V153-V262 HydrophobicContact CG2-CG2 4.17Å; V153-E265 HydrophobicContact CG1-CB 4.35Å |
| 154 | Q | 94.8 | Very high | 95.1 | Very high | 68 Ų | 68 | 71.5 Ų | 71.5 | 32% | 0.318 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 178.3 | -70.1 | -60.7 | -36.1 | 0 | 0 | 112 | T150 V152 V158 | T150-Q154 HydrophobicContact CG2-CG 4.37Å; T150-Q154 WeakPolarHBondContact O-CB 3.27Å; T150-Q154 VanDerWaalsContact O-CG 3.23Å; T150-Q154 WeakPolarHBondContact O-CG 3.29Å; T150-Q154 PolarHBondContact O-N 3.06Å; V152-Q154 PolarHBondContact O-N 2.96Å; Q154-V158 WeakPolarHBondContact O-CG2 3.34Å; Q154-V158 PolarHBondContact O-N 2.94Å |
| 155 | R | 96.6 | Very high | 94.9 | Very high | 185 Ų | 185 | 65.6 Ų | 65.6 | 70% | 0.698 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -66.6 | -45.3 | 176.8 | -177.3 | 171.9 | -84.9 | -108.8 | 1.6 | 111.7 | A151 V152 V153 V158 F159 | A151-R155 WeakPolarHBondContact O-CB 3.43Å; A151-R155 PolarHBondContact O-N 3.42Å; A151-R155 VanDerWaalsContact O-N 3.09Å; V152-R155 PolarHBondContact O-N 3.35Å; V153-R155 VanDerWaalsContact C-N 3.32Å; V153-R155 PolarHBondContact O-N 3.26Å; R155-V158 PolarHBondContact O-N 3.4Å; R155-F159 HydrophobicContact CG-CE2 4.29Å; R155-F159 WeakPolarHBondContact O-CD2 3.04Å |
| 156 | I | 96.3 | Very high | 94.7 | Very high | 66 Ų | 66 | 68.1 Ų | 68.1 | 34% | 0.338 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 178.3 | -69.4 | 172.4 | 0 | 0 | 0 | 110.7 | V152 V153 V158 F159 S160 I258 V262 | V152-I156 HydrophobicContact CG1-CD1 3.58Å; V152-I156 HydrophobicContact CG1-CG1 4.29Å; V152-I156 WeakPolarHBondContact O-CG1 3.15Å; V152-I156 PolarHBondContact O-N 2.93Å; V153-I156 PolarHBondContact O-N 3.38Å; I156-V158 PolarHBondContact O-N 3.14Å; I156-F159 PolarHBondContact O-N 2.86Å; I156-S160 WeakPolarHBondContact O-CB 3.11Å; I156-S160 PolarHBondContact O-N 3.32Å; I156-I258 HydrophobicContact CD1-CG2 3.57Å; I156-V262 HydrophobicContact CB-CG2 4.16Å; I156-V262 HydrophobicContact CG2-CG1 4.42Å; I156-V262 HydrophobicContact CG2-CG2 3.85Å |
| 157 | M | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.6 | -31.3 | -179.7 | -82.5 | 173.7 | 30.1 | 0 | 0 | 114 | V153 F159 T161 R162 V262 E265 E269 | V153-M157 HydrophobicContact CG1-CG 4.29Å; V153-M157 HydrophobicContact CG1-SD 3.66Å; V153-M157 WeakPolarHBondContact O-CB 3.42Å; V153-M157 VanDerWaalsContact O-CG 3.29Å; V153-M157 WeakPolarHBondContact O-CG 3.45Å; V153-M157 PolarHBondContact O-N 2.89Å; M157-F159 VanDerWaalsContact C-N 3.27Å; M157-F159 PolarHBondContact O-N 3.19Å; M157-T161 WeakPolarHBondContact O-CA 3.46Å; M157-T161 WeakPolarHBondContact O-CB 3.4Å; M157-T161 PolarHBondContact O-N 3.16Å; M157-R162 PolarHBondContact O-N 3.1Å; M157-V262 HydrophobicContact CG-CG1 4.05Å; M157-V262 HydrophobicContact CG-CG2 4.46Å; M157-E265 HydrophobicContact CE-CB 4.48Å; M157-E265 HydrophobicContact CE-CG 3.6Å; M157-E265 HydrophobicContact SD-CB 3.57Å; M157-E265 VanDerWaalsContact SD-CB 3.57Å; M157-E265 HydrophobicContact SD-CG 3.26Å; M157-E265 WeakPolarHBondContact SD-CG 3.28Å; M157-E269 VanDerWaalsContact CE-OE1 3.28Å; M157-E269 WeakPolarHBondContact CE-OE1 3.22Å |
| 158 | V | 94.8 | Very high | 94.4 | Very high | 52 Ų | 52 | 67 Ų | 67 | 32% | 0.315 | 32% | 0.324 | S | S | . | . | I | π-helix | trans | -57.8 | -44.9 | 174.3 | 170.1 | 0 | 0 | 0 | 0 | 110.3 | Q154 R155 I156 R163 | Q154-V158 WeakPolarHBondContact O-CG2 3.34Å; Q154-V158 PolarHBondContact O-N 2.94Å; R155-V158 PolarHBondContact O-N 3.4Å; I156-V158 PolarHBondContact O-N 3.14Å; V158-R163 HydrophobicContact CG1-CG 4.35Å; V158-R163 VanDerWaalsContact O-CB 3.31Å; V158-R163 WeakPolarHBondContact O-CB 3.29Å; V158-R163 VanDerWaalsContact O-CG 3.23Å; V158-R163 WeakPolarHBondContact O-CG 3.38Å; V158-R163 PolarHBondContact O-N 3.19Å |
| 159 | F | 94.5 | Very high | 94.2 | Very high | 110 Ų | 110 | 65.8 Ų | 65.8 | 48% | 0.482 | 32% | 0.32 | S | S | . | . | I | π-helix | trans | -82.5 | -42.5 | -178.8 | -60.8 | -78.1 | 0 | 0 | 0 | 112.9 | R155 I156 M157 R163 P164 | R155-F159 HydrophobicContact CG-CE2 4.29Å; R155-F159 WeakPolarHBondContact O-CD2 3.04Å; I156-F159 PolarHBondContact O-N 2.86Å; M157-F159 VanDerWaalsContact C-N 3.27Å; M157-F159 PolarHBondContact O-N 3.19Å; F159-R163 VanDerWaalsContact CE1-NH1 3.33Å; F159-P164 WeakPolarHBondContact O-CD 3.28Å; F159-P164 VanDerWaalsContact O-CG 3.29Å; F159-P164 WeakPolarHBondContact O-CG 3.06Å |
| 160 | S | 93.4 | Very high | 94.1 | Very high | 38 Ų | 38 | 70.2 Ų | 70.2 | 27% | 0.266 | 35% | 0.348 | S | S | . | . | I | π-helix | trans | -77.4 | -35.5 | -175.2 | 169.8 | 0 | 0 | 0 | 0 | 112.8 | I156 P164 H183 | I156-S160 WeakPolarHBondContact O-CB 3.11Å; I156-S160 PolarHBondContact O-N 3.32Å; S160-P164 WeakPolarHBondContact O-CG 3.34Å; S160-H183 PolarHBondContact O-CE1 3.04Å; S160-H183 PolarHBondContact O-NE2 2.96Å |
| 161 | T | 92.9 | Very high | 94 | Very high | 4 Ų | 4 | 74.1 Ų | 74.1 | 3% | 0.025 | 35% | 0.353 | C | S | . | . | I | π-helix | trans | -121 | -56.4 | -169.9 | -65.6 | 0 | 0 | 0 | 0 | 112.8 | M157 P164 I165 H183 T266 | M157-T161 WeakPolarHBondContact O-CA 3.46Å; M157-T161 WeakPolarHBondContact O-CB 3.4Å; M157-T161 PolarHBondContact O-N 3.16Å; T161-P164 WeakPolarHBondContact O-CD 3.44Å; T161-I165 HydrophobicContact CG2-CD1 3.55Å; T161-I165 WeakPolarHBondContact O-CB 3.33Å; T161-I165 WeakPolarHBondContact O-CD1 3.5Å; T161-I165 WeakPolarHBondContact O-CG1 3.47Å; T161-I165 PolarHBondContact O-N 2.93Å; T161-I165 VanDerWaalsContact O-N 3.12Å; T161-H183 PolarHBondContact OG1-CE1 3.42Å; T161-T266 HydrophobicContact CG2-CG2 3.79Å; T161-T266 PolarHBondContact OG1-OG1 3.45Å |
| 162 | R | 92.1 | Very high | 93.8 | Very high | 108 Ų | 108 | 79.7 Ų | 79.7 | 41% | 0.408 | 36% | 0.362 | S | S | . | . | I | π-helix | trans | -68.4 | -45.5 | -170 | -60.5 | -178.1 | 179.7 | -142.7 | 7.7 | 112.9 | M157 T166 E269 | M157-R162 PolarHBondContact O-N 3.1Å; R162-T166 WeakPolarHBondContact O-CB 3.35Å; R162-T166 PolarHBondContact O-N 3.48Å; R162-T166 VanDerWaalsContact O-N 3.14Å; R162-T166 PolarHBondContact O-OG1 3.14Å; R162-E269 IonicContact CZ-OE1 3.06Å; R162-E269 IonicContact NE-OE1 2.6Å; R162-E269 IonicContact NE-OE2 3.47Å; R162-E269 IonicContact NH2-OE1 3.14Å; R162-E269 PolarHBondContact NH2-OE1 3.24Å |
| 163 | R | 93.4 | Very high | 93.4 | Very high | 151 Ų | 151 | 81.3 Ų | 81.3 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.9 | -50 | 178.2 | -76 | 178.7 | -177.6 | -162.7 | 2.1 | 112.4 | V158 F159 I165 T166 Y167 | V158-R163 HydrophobicContact CG1-CG 4.35Å; V158-R163 VanDerWaalsContact O-CB 3.31Å; V158-R163 WeakPolarHBondContact O-CB 3.29Å; V158-R163 VanDerWaalsContact O-CG 3.23Å; V158-R163 WeakPolarHBondContact O-CG 3.38Å; V158-R163 PolarHBondContact O-N 3.19Å; F159-R163 VanDerWaalsContact CE1-NH1 3.33Å; R163-I165 PolarHBondContact O-N 3.47Å; R163-T166 PolarHBondContact O-N 3.46Å; R163-Y167 VanDerWaalsContact O-CB 3.31Å; R163-Y167 WeakPolarHBondContact O-CB 3.46Å; R163-Y167 PolarHBondContact O-N 2.98Å |
| 164 | P | 92.7 | Very high | 93.2 | Very high | 40 Ų | 40 | 84.4 Ų | 84.4 | 26% | 0.26 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 179.3 | -27.7 | 38.2 | 0 | 0 | 0 | 113.2 | F159 S160 T161 T166 Y167 I168 | F159-P164 WeakPolarHBondContact O-CD 3.28Å; F159-P164 VanDerWaalsContact O-CG 3.29Å; F159-P164 WeakPolarHBondContact O-CG 3.06Å; S160-P164 WeakPolarHBondContact O-CG 3.34Å; T161-P164 WeakPolarHBondContact O-CD 3.44Å; P164-T166 VanDerWaalsContact C-N 3.34Å; P164-T166 PolarHBondContact O-N 2.77Å; P164-Y167 PolarHBondContact O-N 3.22Å; P164-I168 WeakPolarHBondContact O-CB 3.34Å; P164-I168 VanDerWaalsContact O-CG1 3.31Å; P164-I168 WeakPolarHBondContact O-CG1 3.37Å; P164-I168 PolarHBondContact O-N 2.8Å |
| 165 | I | 93.1 | Very high | 93.1 | Very high | 14 Ų | 14 | 84.5 Ų | 84.5 | 7% | 0.072 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61 | -45.2 | 177.9 | -68.6 | 170.5 | 0 | 0 | 0 | 110.7 | T161 R163 H169 K176 V179 A180 H183 | T161-I165 HydrophobicContact CG2-CD1 3.55Å; T161-I165 WeakPolarHBondContact O-CB 3.33Å; T161-I165 WeakPolarHBondContact O-CD1 3.5Å; T161-I165 WeakPolarHBondContact O-CG1 3.47Å; T161-I165 PolarHBondContact O-N 2.93Å; T161-I165 VanDerWaalsContact O-N 3.12Å; R163-I165 PolarHBondContact O-N 3.47Å; I165-H169 VanDerWaalsContact O-CB 3.22Å; I165-H169 WeakPolarHBondContact O-CB 3.2Å; I165-H169 PolarHBondContact O-N 3.22Å; I165-K176 HydrophobicContact CG2-CG 4.39Å; I165-V179 HydrophobicContact CB-CG1 4.33Å; I165-V179 HydrophobicContact CG1-CG1 4.34Å; I165-V179 HydrophobicContact CG2-CB 4.5Å; I165-V179 HydrophobicContact CG2-CG1 4.04Å; I165-A180 HydrophobicContact CD1-CB 4.11Å; I165-H183 HydrophobicContact CD1-CB 4.17Å; I165-H183 HydrophobicContact CG1-CB 3.96Å |
| 166 | T | 91.2 | Very high | 92.8 | Very high | 74 Ų | 74 | 82 Ų | 82 | 45% | 0.454 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 179.5 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | R162 R163 P164 T170 | R162-T166 WeakPolarHBondContact O-CB 3.35Å; R162-T166 PolarHBondContact O-N 3.48Å; R162-T166 VanDerWaalsContact O-N 3.14Å; R162-T166 PolarHBondContact O-OG1 3.14Å; R163-T166 PolarHBondContact O-N 3.46Å; P164-T166 VanDerWaalsContact C-N 3.34Å; P164-T166 PolarHBondContact O-N 2.77Å; T166-T170 WeakPolarHBondContact O-CB 3.32Å; T166-T170 PolarHBondContact O-N 3.43Å; T166-T170 PolarHBondContact O-OG1 3.12Å |
| 167 | Y | 93.4 | Very high | 92.5 | Very high | 154 Ų | 154 | 83.8 Ų | 83.8 | 60% | 0.604 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62 | -50.5 | 176.5 | 179.1 | -95.8 | 0 | 0 | 0 | 111.6 | R163 P164 T170 R171 | R163-Y167 VanDerWaalsContact O-CB 3.31Å; R163-Y167 WeakPolarHBondContact O-CB 3.46Å; R163-Y167 PolarHBondContact O-N 2.98Å; P164-Y167 PolarHBondContact O-N 3.22Å; Y167-T170 PolarHBondContact O-N 3.35Å; Y167-R171 HydrophobicContact CE1-CB 4.4Å; Y167-R171 HydrophobicContact CE1-CG 4.48Å; Y167-R171 WeakPolarHBondContact O-CB 3.46Å; Y167-R171 PolarHBondContact O-N 2.85Å |
| 168 | I | 92.6 | Very high | 92.3 | Very high | 45 Ų | 45 | 88.2 Ų | 88.2 | 23% | 0.231 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.6 | -44.3 | -179.6 | -69.4 | 168.7 | 0 | 0 | 0 | 111 | P164 T170 R171 W172 L174 V179 | P164-I168 WeakPolarHBondContact O-CB 3.34Å; P164-I168 VanDerWaalsContact O-CG1 3.31Å; P164-I168 WeakPolarHBondContact O-CG1 3.37Å; P164-I168 PolarHBondContact O-N 2.8Å; I168-T170 PolarHBondContact O-N 3.4Å; I168-R171 PolarHBondContact O-N 2.81Å; I168-W172 HydrophobicContact CG2-CD2 4.42Å; I168-W172 HydrophobicContact CG2-CE3 3.6Å; I168-W172 HydrophobicContact CG2-CZ3 4Å; I168-W172 PolarHBondContact O-N 3.02Å; I168-L174 HydrophobicContact CG2-CD1 4.42Å; I168-V179 HydrophobicContact CB-CG1 3.93Å; I168-V179 HydrophobicContact CG2-CG1 3.72Å; I168-V179 HydrophobicContact CG2-CG2 3.92Å |
| 169 | H | 91.8 | Very high | 92.2 | Very high | 72 Ų | 72 | 86.1 Ų | 86.1 | 33% | 0.333 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -56.1 | -49.8 | 175.3 | 173.3 | -84.7 | 0 | 0 | 0 | 111.6 | I165 G173 L174 K176 | I165-H169 VanDerWaalsContact O-CB 3.22Å; I165-H169 WeakPolarHBondContact O-CB 3.2Å; I165-H169 PolarHBondContact O-N 3.22Å; H169-G173 VanDerWaalsContact O-CA 3.25Å; H169-G173 WeakPolarHBondContact O-CA 3.27Å; H169-G173 PolarHBondContact O-N 2.86Å; H169-L174 PolarHBondContact CD2-O 3.38Å; H169-K176 PolarHBondContact CD2-N 2.85Å |
| 170 | T | 91.9 | Very high | 92.1 | Very high | 109 Ų | 109 | 81.8 Ų | 81.8 | 67% | 0.669 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -72.6 | -35.9 | -177.6 | -57.1 | 0 | 0 | 0 | 0 | 112.4 | T166 Y167 I168 | T166-T170 WeakPolarHBondContact O-CB 3.32Å; T166-T170 PolarHBondContact O-N 3.43Å; T166-T170 PolarHBondContact O-OG1 3.12Å; Y167-T170 PolarHBondContact O-N 3.35Å; I168-T170 PolarHBondContact O-N 3.4Å |
| 171 | R | 93.9 | Very high | 92.1 | Very high | 163 Ų | 163 | 82.9 Ų | 82.9 | 62% | 0.615 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -78 | -36.4 | -175.6 | -175.2 | 62.9 | 178.9 | 106.4 | -4.8 | 113.3 | Y167 I168 | Y167-R171 HydrophobicContact CE1-CB 4.4Å; Y167-R171 HydrophobicContact CE1-CG 4.48Å; Y167-R171 WeakPolarHBondContact O-CB 3.46Å; Y167-R171 PolarHBondContact O-N 2.85Å; I168-R171 PolarHBondContact O-N 2.81Å |
| 172 | W | 91.4 | Very high | 92.2 | Very high | 177 Ų | 177 | 86.8 Ų | 86.8 | 67% | 0.67 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -112 | -2.3 | -175.6 | -64.6 | -23.1 | 0 | 0 | 0 | 114 | I168 L174 | I168-W172 HydrophobicContact CG2-CD2 4.42Å; I168-W172 HydrophobicContact CG2-CE3 3.6Å; I168-W172 HydrophobicContact CG2-CZ3 4Å; I168-W172 PolarHBondContact O-N 3.02Å; W172-L174 HydrophobicContact CB-CD1 4.31Å; W172-L174 HydrophobicContact CB-CG 4.14Å; W172-L174 HydrophobicContact CE3-CD1 4.17Å; W172-L174 PolarHBondContact O-N 3.29Å |
| 173 | G | 90.2 | Very high | 92.3 | Very high | 69 Ų | 69 | 83.1 Ų | 83.1 | 71% | 0.711 | 42% | 0.419 | S | S | * | . | trans | 66.1 | 16.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | H169 | H169-G173 VanDerWaalsContact O-CA 3.25Å; H169-G173 WeakPolarHBondContact O-CA 3.27Å; H169-G173 PolarHBondContact O-N 2.86Å | ||
| 174 | L | 92.1 | Very high | 92.3 | Very high | 74 Ų | 74 | 76 Ų | 76 | 39% | 0.387 | 39% | 0.392 | S | S | . | . | trans | -74.5 | 154.5 | 179.9 | -66.5 | 175.7 | 0 | 0 | 0 | 111.5 | I168 H169 W172 K176 V179 | I168-L174 HydrophobicContact CG2-CD1 4.42Å; H169-L174 PolarHBondContact CD2-O 3.38Å; W172-L174 HydrophobicContact CB-CD1 4.31Å; W172-L174 HydrophobicContact CB-CG 4.14Å; W172-L174 HydrophobicContact CE3-CD1 4.17Å; W172-L174 PolarHBondContact O-N 3.29Å; L174-K176 PolarHBondContact O-N 2.89Å; L174-V179 HydrophobicContact CB-CG2 3.59Å; L174-V179 HydrophobicContact CD1-CG2 4.13Å | ||
| 175 | S | 92.3 | Very high | 92.4 | Very high | 69 Ų | 69 | 77.2 Ų | 77.2 | 48% | 0.483 | 40% | 0.399 | S | S | . | . | trans | -64.6 | 136.1 | 177.3 | 76.4 | 0 | 0 | 0 | 0 | 111.7 | Q177 L178 V179 | S175-Q177 PolarHBondContact O-N 2.97Å; S175-L178 PolarHBondContact O-N 3.49Å; S175-L178 VanDerWaalsContact OG-CB 3.26Å; S175-L178 WeakPolarHBondContact OG-CB 3.45Å; S175-L178 PolarHBondContact OG-N 3.39Å; S175-V179 WeakPolarHBondContact O-CG2 3.48Å; S175-V179 PolarHBondContact O-N 3.03Å; S175-V179 VanDerWaalsContact O-N 3.15Å | ||
| 176 | K | 89.6 | Confident | 92.6 | Very high | 134 Ų | 134 | 81.7 Ų | 81.7 | 58% | 0.583 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -59.1 | -34.5 | -175.9 | -171.8 | 176.2 | -178.9 | 175.7 | 0 | 112.7 | I165 H169 L174 A180 | I165-K176 HydrophobicContact CG2-CG 4.39Å; H169-K176 PolarHBondContact CD2-N 2.85Å; L174-K176 PolarHBondContact O-N 2.89Å; K176-A180 VanDerWaalsContact O-CB 3.26Å; K176-A180 WeakPolarHBondContact O-CB 3.44Å; K176-A180 PolarHBondContact O-N 2.93Å |
| 177 | Q | 89.3 | Confident | 92.8 | Very high | 102 Ų | 102 | 79.5 Ų | 79.5 | 48% | 0.477 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.8 | -46 | 178.9 | -68.1 | 172.7 | 3.1 | 0 | 0 | 111.9 | S175 A180 I181 | S175-Q177 PolarHBondContact O-N 2.97Å; Q177-A180 PolarHBondContact O-N 3.1Å; Q177-I181 WeakPolarHBondContact O-CG1 3.41Å; Q177-I181 PolarHBondContact O-N 3.37Å |
| 178 | L | 90.8 | Very high | 92.9 | Very high | 93 Ų | 93 | 72.7 Ų | 72.7 | 49% | 0.487 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.7 | -47.7 | 179.4 | 179.3 | 64 | 0 | 0 | 0 | 110.7 | S175 A180 I181 V182 | S175-L178 PolarHBondContact O-N 3.49Å; S175-L178 VanDerWaalsContact OG-CB 3.26Å; S175-L178 WeakPolarHBondContact OG-CB 3.45Å; S175-L178 PolarHBondContact OG-N 3.39Å; L178-A180 VanDerWaalsContact C-N 3.29Å; L178-A180 PolarHBondContact O-N 3.4Å; L178-I181 PolarHBondContact O-N 3.31Å; L178-V182 HydrophobicContact CD1-CG2 4.24Å; L178-V182 WeakPolarHBondContact O-CG2 3.09Å; L178-V182 PolarHBondContact O-N 2.94Å |
| 179 | V | 93.6 | Very high | 93.1 | Very high | 9 Ų | 9 | 75.8 Ų | 75.8 | 6% | 0.055 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.4 | -42 | 178.1 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | I165 I168 L174 S175 H183 | I165-V179 HydrophobicContact CB-CG1 4.33Å; I165-V179 HydrophobicContact CG1-CG1 4.34Å; I165-V179 HydrophobicContact CG2-CB 4.5Å; I165-V179 HydrophobicContact CG2-CG1 4.04Å; I168-V179 HydrophobicContact CB-CG1 3.93Å; I168-V179 HydrophobicContact CG2-CG1 3.72Å; I168-V179 HydrophobicContact CG2-CG2 3.92Å; L174-V179 HydrophobicContact CB-CG2 3.59Å; L174-V179 HydrophobicContact CD1-CG2 4.13Å; S175-V179 WeakPolarHBondContact O-CG2 3.48Å; S175-V179 PolarHBondContact O-N 3.03Å; S175-V179 VanDerWaalsContact O-N 3.15Å; V179-H183 WeakPolarHBondContact O-CB 3.26Å; V179-H183 PolarHBondContact O-N 2.75Å |
| 180 | A | 92.5 | Very high | 93.3 | Very high | 19 Ų | 19 | 77 Ų | 77 | 16% | 0.157 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I165 K176 Q177 L178 A184 L270 | I165-A180 HydrophobicContact CD1-CB 4.11Å; K176-A180 VanDerWaalsContact O-CB 3.26Å; K176-A180 WeakPolarHBondContact O-CB 3.44Å; K176-A180 PolarHBondContact O-N 2.93Å; Q177-A180 PolarHBondContact O-N 3.1Å; L178-A180 VanDerWaalsContact C-N 3.29Å; L178-A180 PolarHBondContact O-N 3.4Å; A180-A184 VanDerWaalsContact O-CB 3.27Å; A180-A184 WeakPolarHBondContact O-CB 3.33Å; A180-A184 PolarHBondContact O-N 3.44Å; A180-L270 HydrophobicContact CB-CD2 3.97Å |
| 181 | I | 93.2 | Very high | 93.5 | Very high | 60 Ų | 60 | 72.1 Ų | 72.1 | 31% | 0.308 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65 | -50.5 | 177.1 | -68.4 | 167 | 0 | 0 | 0 | 110.2 | Q177 L178 H183 A184 T185 L270 | Q177-I181 WeakPolarHBondContact O-CG1 3.41Å; Q177-I181 PolarHBondContact O-N 3.37Å; L178-I181 PolarHBondContact O-N 3.31Å; I181-H183 VanDerWaalsContact C-N 3.31Å; I181-H183 PolarHBondContact O-N 3.21Å; I181-A184 PolarHBondContact O-N 2.94Å; I181-T185 PolarHBondContact O-N 3.04Å; I181-T185 PolarHBondContact O-OG1 3.5Å; I181-T185 VanDerWaalsContact O-OG1 3.12Å; I181-L270 HydrophobicContact CG1-CD2 4.15Å |
| 182 | V | 94.5 | Very high | 93.7 | Very high | 87 Ų | 87 | 67.6 Ų | 67.6 | 53% | 0.527 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 179 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | L178 T185 L186 | L178-V182 HydrophobicContact CD1-CG2 4.24Å; L178-V182 WeakPolarHBondContact O-CG2 3.09Å; L178-V182 PolarHBondContact O-N 2.94Å; V182-T185 PolarHBondContact O-N 3.45Å; V182-L186 WeakPolarHBondContact O-CB 3.16Å; V182-L186 PolarHBondContact O-N 3.02Å |
| 183 | H | 94.9 | Very high | 93.9 | Very high | 30 Ų | 30 | 61.5 Ų | 61.5 | 14% | 0.139 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 176.5 | -177.6 | -81.2 | 0 | 0 | 0 | 112.2 | S160 T161 I165 V179 I181 T185 L186 L187 | S160-H183 PolarHBondContact O-CE1 3.04Å; S160-H183 PolarHBondContact O-NE2 2.96Å; T161-H183 PolarHBondContact OG1-CE1 3.42Å; I165-H183 HydrophobicContact CD1-CB 4.17Å; I165-H183 HydrophobicContact CG1-CB 3.96Å; V179-H183 WeakPolarHBondContact O-CB 3.26Å; V179-H183 PolarHBondContact O-N 2.75Å; I181-H183 VanDerWaalsContact C-N 3.31Å; I181-H183 PolarHBondContact O-N 3.21Å; H183-T185 PolarHBondContact O-N 3.15Å; H183-L186 PolarHBondContact O-N 2.62Å; H183-L187 VanDerWaalsContact O-CB 3.26Å; H183-L187 WeakPolarHBondContact O-CB 3.32Å; H183-L187 PolarHBondContact O-N 2.94Å |
| 184 | A | 94.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A180 I181 L187 G188 T266 F267 L270 | A180-A184 VanDerWaalsContact O-CB 3.27Å; A180-A184 WeakPolarHBondContact O-CB 3.33Å; A180-A184 PolarHBondContact O-N 3.44Å; I181-A184 PolarHBondContact O-N 2.94Å; A184-L187 PolarHBondContact O-N 3.47Å; A184-G188 PolarHBondContact O-N 2.9Å; A184-T266 HydrophobicContact CB-CG2 3.96Å; A184-F267 HydrophobicContact CB-CD1 4.41Å; A184-F267 HydrophobicContact CB-CE1 4.2Å; A184-F267 HydrophobicContact CB-CZ 4.32Å; A184-L270 HydrophobicContact CB-CD1 4.23Å; A184-L270 HydrophobicContact CB-CD2 4.2Å |
| 185 | T | 94.3 | Very high | 94.5 | Very high | 67 Ų | 67 | 58.8 Ų | 58.8 | 41% | 0.411 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 175.5 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | I181 V182 H183 G188 M189 | I181-T185 PolarHBondContact O-N 3.04Å; I181-T185 PolarHBondContact O-OG1 3.5Å; I181-T185 VanDerWaalsContact O-OG1 3.12Å; V182-T185 PolarHBondContact O-N 3.45Å; H183-T185 PolarHBondContact O-N 3.15Å; T185-G188 PolarHBondContact O-N 3.43Å; T185-M189 HydrophobicContact CG2-CE 4.2Å; T185-M189 HydrophobicContact CG2-SD 4.46Å; T185-M189 WeakPolarHBondContact O-CG 3.4Å; T185-M189 PolarHBondContact O-N 2.85Å |
| 186 | L | 96.3 | Very high | 94.7 | Very high | 107 Ų | 107 | 56.1 Ų | 56.1 | 56% | 0.56 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.5 | -45.2 | 177.7 | -179.1 | 63.1 | 0 | 0 | 0 | 112.1 | V182 H183 G188 M189 L190 | V182-L186 WeakPolarHBondContact O-CB 3.16Å; V182-L186 PolarHBondContact O-N 3.02Å; H183-L186 PolarHBondContact O-N 2.62Å; L186-G188 VanDerWaalsContact C-N 3.33Å; L186-G188 PolarHBondContact O-N 3.28Å; L186-M189 HydrophobicContact CD1-CE 4.1Å; L186-M189 PolarHBondContact O-N 3.38Å; L186-L190 WeakPolarHBondContact O-CB 3.08Å; L186-L190 PolarHBondContact O-N 3.45Å |
| 187 | L | 96.1 | Very high | 95.1 | Very high | 28 Ų | 28 | 53.2 Ų | 53.2 | 15% | 0.147 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 177.1 | -176.4 | 66.2 | 0 | 0 | 0 | 111.2 | H183 A184 L190 A191 V262 V263 T266 | H183-L187 VanDerWaalsContact O-CB 3.26Å; H183-L187 WeakPolarHBondContact O-CB 3.32Å; H183-L187 PolarHBondContact O-N 2.94Å; A184-L187 PolarHBondContact O-N 3.47Å; L187-L190 PolarHBondContact O-N 3.5Å; L187-A191 WeakPolarHBondContact O-CB 3.14Å; L187-A191 PolarHBondContact O-N 2.82Å; L187-V262 HydrophobicContact CD2-CG1 4.33Å; L187-V263 HydrophobicContact CD2-CG2 4.44Å; L187-V263 HydrophobicContact CG-CG2 4.19Å; L187-T266 HydrophobicContact CD2-CG2 4.2Å |
| 188 | G | 95.7 | Very high | 95.5 | Very high | 12 Ų | 12 | 52.9 Ų | 52.9 | 12% | 0.124 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62 | -46.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A184 T185 L186 L190 A191 V192 | A184-G188 PolarHBondContact O-N 2.9Å; T185-G188 PolarHBondContact O-N 3.43Å; L186-G188 VanDerWaalsContact C-N 3.33Å; L186-G188 PolarHBondContact O-N 3.28Å; G188-L190 VanDerWaalsContact C-N 3.32Å; G188-L190 PolarHBondContact O-N 3.08Å; G188-A191 PolarHBondContact O-N 3.43Å; G188-V192 WeakPolarHBondContact O-CG2 3.34Å; G188-V192 PolarHBondContact O-N 3.47Å |
| 189 | M | 96.6 | Very high | 95.9 | Very high | 109 Ų | 109 | 49 Ų | 49 | 54% | 0.537 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 176.3 | -70.2 | -173.8 | -59.9 | 0 | 0 | 112.3 | T185 L186 S193 | T185-M189 HydrophobicContact CG2-CE 4.2Å; T185-M189 HydrophobicContact CG2-SD 4.46Å; T185-M189 WeakPolarHBondContact O-CG 3.4Å; T185-M189 PolarHBondContact O-N 2.85Å; L186-M189 HydrophobicContact CD1-CE 4.1Å; L186-M189 PolarHBondContact O-N 3.38Å; M189-S193 WeakPolarHBondContact O-CB 3.26Å; M189-S193 PolarHBondContact O-N 2.97Å; M189-S193 PolarHBondContact O-OG 3.11Å |
| 190 | L | 96.8 | Very high | 96.1 | Very high | 99 Ų | 99 | 48.6 Ų | 48.6 | 52% | 0.518 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 175.6 | -178 | 64.8 | 0 | 0 | 0 | 111.2 | L186 L187 G188 S193 C194 | L186-L190 WeakPolarHBondContact O-CB 3.08Å; L186-L190 PolarHBondContact O-N 3.45Å; L187-L190 PolarHBondContact O-N 3.5Å; G188-L190 VanDerWaalsContact C-N 3.32Å; G188-L190 PolarHBondContact O-N 3.08Å; L190-S193 PolarHBondContact O-N 3.11Å; L190-C194 WeakPolarHBondContact O-CB 3.36Å; L190-C194 PolarHBondContact O-N 2.78Å; L190-C194 PolarHBondContact O-SG 3.48Å |
| 191 | A | 96.1 | Very high | 96.3 | Very high | 6 Ų | 6 | 50 Ų | 50 | 5% | 0.05 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L187 G188 S193 C194 F195 V259 V263 | L187-A191 WeakPolarHBondContact O-CB 3.14Å; L187-A191 PolarHBondContact O-N 2.82Å; G188-A191 PolarHBondContact O-N 3.43Å; A191-S193 VanDerWaalsContact C-N 3.3Å; A191-S193 PolarHBondContact O-N 2.82Å; A191-C194 PolarHBondContact O-N 3.47Å; A191-F195 WeakPolarHBondContact O-CB 3.11Å; A191-F195 PolarHBondContact O-N 2.92Å; A191-V259 HydrophobicContact CB-CG1 3.93Å; A191-V263 HydrophobicContact CB-CG2 3.65Å |
| 192 | V | 96.8 | Very high | 96.4 | Very high | 68 Ų | 68 | 51.2 Ų | 51.2 | 41% | 0.412 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.9 | -44.6 | 174.9 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | G188 F196 L197 | G188-V192 WeakPolarHBondContact O-CG2 3.34Å; G188-V192 PolarHBondContact O-N 3.47Å; V192-F196 WeakPolarHBondContact O-CA 3.49Å; V192-F196 VanDerWaalsContact O-CB 3.28Å; V192-F196 WeakPolarHBondContact O-CB 3.13Å; V192-F196 PolarHBondContact O-N 3.49Å; V192-L197 HydrophobicContact CG1-CG 4.44Å; V192-L197 PolarHBondContact O-N 2.87Å |
| 193 | S | 96.8 | Very high | 96.5 | Very high | 49 Ų | 49 | 47.6 Ų | 47.6 | 34% | 0.343 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -65.8 | -49.9 | 179.4 | -55.9 | 0 | 0 | 0 | 0 | 112.2 | M189 L190 A191 L197 I198 | M189-S193 WeakPolarHBondContact O-CB 3.26Å; M189-S193 PolarHBondContact O-N 2.97Å; M189-S193 PolarHBondContact O-OG 3.11Å; L190-S193 PolarHBondContact O-N 3.11Å; A191-S193 VanDerWaalsContact C-N 3.3Å; A191-S193 PolarHBondContact O-N 2.82Å; S193-L197 PolarHBondContact O-N 3.2Å; S193-I198 WeakPolarHBondContact O-CG1 3.27Å; S193-I198 PolarHBondContact O-N 3.09Å |
| 194 | C | 97.1 | Very high | 96.5 | Very high | 52 Ų | 52 | 48 Ų | 48 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | I | π-helix | trans | -78.7 | -28.8 | -173 | -67.9 | 0 | 0 | 0 | 0 | 114.7 | L190 A191 P199 | L190-C194 WeakPolarHBondContact O-CB 3.36Å; L190-C194 PolarHBondContact O-N 2.78Å; L190-C194 PolarHBondContact O-SG 3.48Å; A191-C194 PolarHBondContact O-N 3.47Å; C194-P199 VanDerWaalsContact O-CD 3.28Å; C194-P199 WeakPolarHBondContact O-CD 3.48Å; C194-P199 WeakPolarHBondContact O-CG 3.4Å |
| 195 | F | 97 | Very high | 96.5 | Very high | 34 Ų | 34 | 52 Ų | 52 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | I | π-helix | trans | -113.6 | -8.8 | -174 | -70.8 | -87.9 | 0 | 0 | 0 | 114.3 | A191 L223 Y252 L255 V259 | A191-F195 WeakPolarHBondContact O-CB 3.11Å; A191-F195 PolarHBondContact O-N 2.92Å; F195-L223 HydrophobicContact CB-CD2 4.29Å; F195-Y252 HydrophobicContact CD1-CE2 4.4Å; F195-Y252 PolarHBondContact O-OH 3.39Å; F195-Y252 VanDerWaalsContact O-OH 3.14Å; F195-L255 HydrophobicContact CE1-CB 4.5Å; F195-L255 HydrophobicContact CE1-CD2 4.09Å; F195-L255 HydrophobicContact CE1-CG 3.89Å; F195-L255 HydrophobicContact CZ-CD2 4.16Å; F195-L255 HydrophobicContact CZ-CG 4.05Å; F195-V259 HydrophobicContact CD2-CB 4.24Å; F195-V259 HydrophobicContact CD2-CG1 3.8Å; F195-V259 HydrophobicContact CD2-CG2 4.43Å; F195-V259 HydrophobicContact CE1-CG2 4.26Å; F195-V259 HydrophobicContact CE2-CB 3.95Å; F195-V259 HydrophobicContact CE2-CG1 3.74Å; F195-V259 HydrophobicContact CE2-CG2 3.65Å; F195-V259 HydrophobicContact CZ-CB 4.11Å; F195-V259 HydrophobicContact CZ-CG1 4.41Å; F195-V259 HydrophobicContact CZ-CG2 3.54Å |
| 196 | F | 97.3 | Very high | 96.3 | Very high | 12 Ų | 12 | 53.2 Ų | 53.2 | 5% | 0.053 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -120.7 | -59.1 | 174 | -58.9 | -108.2 | 0 | 0 | 0 | 111.1 | V192 A200 F216 C219 F220 L223 M260 | V192-F196 WeakPolarHBondContact O-CA 3.49Å; V192-F196 VanDerWaalsContact O-CB 3.28Å; V192-F196 WeakPolarHBondContact O-CB 3.13Å; V192-F196 PolarHBondContact O-N 3.49Å; F196-A200 WeakPolarHBondContact O-CB 3.26Å; F196-A200 PolarHBondContact O-N 3.39Å; F196-F216 HydrophobicContact CB-CD2 4.05Å; F196-F216 HydrophobicContact CB-CE2 3.56Å; F196-F216 HydrophobicContact CB-CZ 4.23Å; F196-F216 HydrophobicContact CD1-CE2 4.44Å; F196-F216 HydrophobicContact CD1-CZ 4.35Å; F196-F216 HydrophobicContact CG-CE2 4.4Å; F196-C219 HydrophobicContact CD1-CB 4.15Å; F196-F220 HydrophobicContact CD1-CB 4.48Å; F196-F220 HydrophobicContact CE1-CB 4.25Å; F196-F220 HydrophobicContact CE1-CD2 4.1Å; F196-L223 HydrophobicContact CZ-CB 4.27Å; F196-M260 HydrophobicContact CE2-CE 4.31Å; F196-M260 HydrophobicContact CE2-SD 3.53Å; F196-M260 VanDerWaalsContact CE2-SD 3.53Å; F196-M260 HydrophobicContact CZ-CE 3.93Å; F196-M260 HydrophobicContact CZ-SD 3.64Å |
| 197 | L | 97.9 | Very high | 96.1 | Very high | 74 Ų | 74 | 48.5 Ų | 48.5 | 39% | 0.387 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -66.4 | -49.6 | -173.4 | -59.9 | 179.3 | 0 | 0 | 0 | 112.9 | V192 S193 A201 F212 F216 | V192-L197 HydrophobicContact CG1-CG 4.44Å; V192-L197 PolarHBondContact O-N 2.87Å; S193-L197 PolarHBondContact O-N 3.2Å; L197-A201 PolarHBondContact O-N 2.9Å; L197-A201 VanDerWaalsContact O-N 3.08Å; L197-F212 HydrophobicContact CD2-CZ 4.14Å; L197-F216 HydrophobicContact CD2-CD2 4.13Å; L197-F216 HydrophobicContact CD2-CE2 3.87Å |
| 198 | I | 97.5 | Very high | 95.7 | Very high | 95 Ų | 95 | 56.2 Ų | 56.2 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65 | -50.6 | 179.3 | -65.7 | 172.1 | 0 | 0 | 0 | 111 | S193 A200 A201 I202 | S193-I198 WeakPolarHBondContact O-CG1 3.27Å; S193-I198 PolarHBondContact O-N 3.09Å; I198-A200 VanDerWaalsContact C-N 3.35Å; I198-A200 PolarHBondContact O-N 2.6Å; I198-A201 PolarHBondContact O-N 3.3Å; I198-I202 HydrophobicContact CG2-CD1 3.88Å; I198-I202 WeakPolarHBondContact O-CG1 3.44Å; I198-I202 PolarHBondContact O-N 3.42Å |
| 199 | P | 97.5 | Very high | 95.3 | Very high | 12 Ų | 12 | 62.2 Ų | 62.2 | 8% | 0.078 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.5 | -37.8 | 176.7 | -26.2 | 38.2 | 0 | 0 | 0 | 113.2 | C194 A201 I202 F203 Y252 | C194-P199 VanDerWaalsContact O-CD 3.28Å; C194-P199 WeakPolarHBondContact O-CD 3.48Å; C194-P199 WeakPolarHBondContact O-CG 3.4Å; P199-A201 VanDerWaalsContact C-N 3.32Å; P199-A201 PolarHBondContact O-N 3.08Å; P199-I202 CarbonylContact O-C 3.57Å; P199-I202 PolarHBondContact O-N 2.95Å; P199-I202 VanDerWaalsContact O-N 3.12Å; P199-F203 HydrophobicContact CB-CD2 4.2Å; P199-F203 HydrophobicContact CB-CE2 4.03Å; P199-F203 WeakPolarHBondContact O-CD2 3.23Å; P199-F203 PolarHBondContact O-N 3.48Å; P199-Y252 HydrophobicContact CB-CE2 3.83Å; P199-Y252 HydrophobicContact CG-CE2 3.71Å |
| 200 | A | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.4 | -42 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F196 I198 I202 F203 S204 F212 S215 F216 | F196-A200 WeakPolarHBondContact O-CB 3.26Å; F196-A200 PolarHBondContact O-N 3.39Å; I198-A200 VanDerWaalsContact C-N 3.35Å; I198-A200 PolarHBondContact O-N 2.6Å; A200-I202 VanDerWaalsContact C-N 3.35Å; A200-F203 PolarHBondContact O-N 3.17Å; A200-S204 WeakPolarHBondContact O-CB 3.41Å; A200-S204 PolarHBondContact O-N 3.14Å; A200-S204 PolarHBondContact O-OG 2.93Å; A200-F212 HydrophobicContact CB-CD2 4.16Å; A200-F212 HydrophobicContact CB-CE2 3.71Å; A200-F212 HydrophobicContact CB-CZ 4.11Å; A200-S215 WeakPolarHBondContact O-CB 3.43Å; A200-F216 HydrophobicContact CB-CB 3.89Å; A200-F216 HydrophobicContact CB-CD2 4.35Å |
| 201 | A | 97.7 | Very high | 95.2 | Very high | 47 Ų | 47 | 57.6 Ų | 57.6 | 39% | 0.388 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L197 I198 P199 S204 A205 F212 | L197-A201 PolarHBondContact O-N 2.9Å; L197-A201 VanDerWaalsContact O-N 3.08Å; I198-A201 PolarHBondContact O-N 3.3Å; P199-A201 VanDerWaalsContact C-N 3.32Å; P199-A201 PolarHBondContact O-N 3.08Å; A201-S204 WeakPolarHBondContact CA-OG 3.25Å; A201-S204 PolarHBondContact O-N 2.87Å; A201-S204 PolarHBondContact O-OG 3.39Å; A201-A205 PolarHBondContact O-N 3.34Å; A201-F212 HydrophobicContact CB-CE2 4.35Å |
| 202 | I | 96.2 | Very high | 95.2 | Very high | 87 Ų | 87 | 62 Ų | 62 | 45% | 0.446 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.9 | -48.6 | 176.8 | -66.1 | 167.2 | 0 | 0 | 0 | 111 | I198 P199 A200 S204 A205 L206 | I198-I202 HydrophobicContact CG2-CD1 3.88Å; I198-I202 WeakPolarHBondContact O-CG1 3.44Å; I198-I202 PolarHBondContact O-N 3.42Å; P199-I202 CarbonylContact O-C 3.57Å; P199-I202 PolarHBondContact O-N 2.95Å; P199-I202 VanDerWaalsContact O-N 3.12Å; A200-I202 VanDerWaalsContact C-N 3.35Å; I202-S204 PolarHBondContact O-N 2.91Å; I202-A205 PolarHBondContact O-N 3.02Å; I202-A205 VanDerWaalsContact O-N 3.1Å; I202-L206 HydrophobicContact CG2-CD1 3.6Å; I202-L206 HydrophobicContact CG2-CG 4.16Å; I202-L206 WeakPolarHBondContact O-CG 3.2Å; I202-L206 PolarHBondContact O-N 3.45Å |
| 203 | F | 95.7 | Very high | 95.2 | Very high | 10 Ų | 10 | 64.8 Ų | 64.8 | 4% | 0.044 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 178.8 | -74.9 | -61.6 | 0 | 0 | 0 | 111.6 | P199 A200 A205 L206 E207 W210 F218 P233 Y245 I249 Y252 | P199-F203 HydrophobicContact CB-CD2 4.2Å; P199-F203 HydrophobicContact CB-CE2 4.03Å; P199-F203 WeakPolarHBondContact O-CD2 3.23Å; P199-F203 PolarHBondContact O-N 3.48Å; A200-F203 PolarHBondContact O-N 3.17Å; F203-A205 PolarHBondContact O-N 3.18Å; F203-A205 VanDerWaalsContact O-N 3.16Å; F203-L206 PolarHBondContact O-N 3.5Å; F203-L206 VanDerWaalsContact O-N 3.11Å; F203-E207 WeakPolarHBondContact O-CB 3.4Å; F203-E207 PolarHBondContact O-N 2.72Å; F203-W210 HydrophobicContact CB-CE3 4.26Å; F203-W210 HydrophobicContact CB-CZ3 4.42Å; F203-F218 AromaticContact CD2-CD1 4Å; F203-F218 HydrophobicContact CD2-CD1 4Å; F203-F218 HydrophobicContact CD2-CE1 4.07Å; F203-F218 HydrophobicContact CE1-CE1 4.12Å; F203-F218 HydrophobicContact CE2-CD1 4.03Å; F203-F218 AromaticContact CE2-CE1 3.64Å; F203-F218 HydrophobicContact CE2-CE1 3.64Å; F203-F218 HydrophobicContact CG-CD1 4.4Å; F203-F218 HydrophobicContact CZ-CD1 4.42Å; F203-F218 AromaticContact CZ-CE1 3.68Å; F203-F218 HydrophobicContact CZ-CE1 3.68Å; F203-P233 HydrophobicContact CD1-CB 4.02Å; F203-P233 HydrophobicContact CD1-CG 4.44Å; F203-P233 HydrophobicContact CE1-CB 3.81Å; F203-P233 HydrophobicContact CE1-CG 3.87Å; F203-P233 HydrophobicContact CZ-CG 4.49Å; F203-Y245 WeakPolarHBondContact CD1-OH 3.25Å; F203-Y245 HydrophobicContact CE1-CE2 4.35Å; F203-Y245 VanDerWaalsContact CE1-OH 3.25Å; F203-Y245 WeakPolarHBondContact CE1-OH 3.3Å; F203-I249 HydrophobicContact CE1-CG1 4.28Å; F203-Y252 HydrophobicContact CE2-CD1 4.28Å; F203-Y252 AromaticContact CE2-CE1 3.78Å; F203-Y252 HydrophobicContact CE2-CE1 3.78Å; F203-Y252 HydrophobicContact CZ-CD1 4.12Å; F203-Y252 HydrophobicContact CZ-CE1 4.03Å |
| 204 | S | 95.8 | Very high | 95.2 | Very high | 40 Ų | 40 | 64.5 Ų | 64.5 | 28% | 0.28 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.3 | -20.5 | 176.1 | 69.2 | 0 | 0 | 0 | 0 | 113.8 | A200 A201 I202 S215 | A200-S204 WeakPolarHBondContact O-CB 3.41Å; A200-S204 PolarHBondContact O-N 3.14Å; A200-S204 PolarHBondContact O-OG 2.93Å; A201-S204 WeakPolarHBondContact CA-OG 3.25Å; A201-S204 PolarHBondContact O-N 2.87Å; A201-S204 PolarHBondContact O-OG 3.39Å; I202-S204 PolarHBondContact O-N 2.91Å; S204-S215 WeakPolarHBondContact CA-OG 3.24Å; S204-S215 WeakPolarHBondContact CB-OG 3.38Å; S204-S215 PolarHBondContact N-OG 3.5Å; S204-S215 VanDerWaalsContact N-OG 3.09Å |
| 205 | A | 93.2 | Very high | 95.3 | Very high | 83 Ų | 83 | 62 Ų | 62 | 69% | 0.686 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -91.9 | -26.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A201 I202 F203 | A201-A205 PolarHBondContact O-N 3.34Å; I202-A205 PolarHBondContact O-N 3.02Å; I202-A205 VanDerWaalsContact O-N 3.1Å; F203-A205 PolarHBondContact O-N 3.18Å; F203-A205 VanDerWaalsContact O-N 3.16Å |
| 206 | L | 91.4 | Very high | 95.3 | Very high | 94 Ų | 94 | 63.4 Ų | 63.4 | 49% | 0.492 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -91.5 | -35.6 | -178.7 | -68.6 | 178.6 | 0 | 0 | 0 | 112.9 | I202 F203 Y245 | I202-L206 HydrophobicContact CG2-CD1 3.6Å; I202-L206 HydrophobicContact CG2-CG 4.16Å; I202-L206 WeakPolarHBondContact O-CG 3.2Å; I202-L206 PolarHBondContact O-N 3.45Å; F203-L206 PolarHBondContact O-N 3.5Å; F203-L206 VanDerWaalsContact O-N 3.11Å; L206-Y245 HydrophobicContact CD1-CD2 4.46Å; L206-Y245 HydrophobicContact CD1-CE2 3.65Å |
| 207 | E | 91.6 | Very high | 95.3 | Very high | 8 Ų | 8 | 66.5 Ų | 66.5 | 4% | 0.037 | 35% | 0.351 | C | S | . | . | trans | -99.5 | 104 | -179.6 | -66.6 | -65.7 | 165.7 | 0 | 0 | 109.4 | F203 N209 W210 P233 G234 Q239 Y245 | F203-E207 WeakPolarHBondContact O-CB 3.4Å; F203-E207 PolarHBondContact O-N 2.72Å; E207-N209 PolarHBondContact O-N 2.69Å; E207-N209 VanDerWaalsContact O-N 3.11Å; E207-W210 HydrophobicContact CB-CB 3.91Å; E207-W210 HydrophobicContact CB-CD2 3.67Å; E207-W210 HydrophobicContact CB-CE3 4.14Å; E207-W210 HydrophobicContact CB-CG 3.58Å; E207-W210 HydrophobicContact CG-CD2 3.97Å; E207-W210 HydrophobicContact CG-CE3 4.14Å; E207-W210 HydrophobicContact CG-CG 4.4Å; E207-W210 HydrophobicContact CG-CZ2 4.48Å; E207-W210 HydrophobicContact CG-CZ3 4.49Å; E207-W210 PolarHBondContact O-N 2.81Å; E207-P233 HydrophobicContact CG-CB 4.35Å; E207-P233 WeakPolarHBondContact OE1-CA 3.37Å; E207-G234 PolarHBondContact OE1-N 3.5Å; E207-Q239 PolarHBondContact OE1-NE2 2.88Å; E207-Q239 PolarHBondContact OE2-NE2 3.4Å; E207-Y245 WeakPolarHBondContact OE1-CE1 3.44Å | ||
| 208 | E | 86.6 | Confident | 95.3 | Very high | 190 Ų | 190 | 63 Ų | 63 | 89% | 0.888 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -28.8 | -172.1 | -65 | -178 | 174.4 | 0 | 0 | 113.9 | ||
| 209 | N | 88.1 | Confident | 95.3 | Very high | 137 Ų | 137 | 58.5 Ų | 58.5 | 73% | 0.733 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 1.7 | -177.9 | -63.5 | -40.2 | 0 | 0 | 0 | 113.2 | E207 | E207-N209 PolarHBondContact O-N 2.69Å; E207-N209 VanDerWaalsContact O-N 3.11Å |
| 210 | W | 94.4 | Very high | 95.3 | Very high | 29 Ų | 29 | 62.9 Ų | 62.9 | 11% | 0.11 | 33% | 0.327 | C | S | . | . | trans | -109.2 | 125.5 | -173.7 | -65.9 | 14.2 | 0 | 0 | 0 | 110.9 | F203 E207 E214 F218 Y231 P233 | F203-W210 HydrophobicContact CB-CE3 4.26Å; F203-W210 HydrophobicContact CB-CZ3 4.42Å; E207-W210 HydrophobicContact CB-CB 3.91Å; E207-W210 HydrophobicContact CB-CD2 3.67Å; E207-W210 HydrophobicContact CB-CE3 4.14Å; E207-W210 HydrophobicContact CB-CG 3.58Å; E207-W210 HydrophobicContact CG-CD2 3.97Å; E207-W210 HydrophobicContact CG-CE3 4.14Å; E207-W210 HydrophobicContact CG-CG 4.4Å; E207-W210 HydrophobicContact CG-CZ2 4.48Å; E207-W210 HydrophobicContact CG-CZ3 4.49Å; E207-W210 PolarHBondContact O-N 2.81Å; W210-E214 WeakPolarHBondContact CA-OE2 3.46Å; W210-E214 HydrophobicContact CB-CB 4.5Å; W210-F218 HydrophobicContact CH2-CB 4.11Å; W210-F218 HydrophobicContact CH2-CD1 4.26Å; W210-F218 AromaticContact CH2-CD2 3.96Å; W210-F218 HydrophobicContact CH2-CD2 3.96Å; W210-F218 AromaticContact CH2-CG 3.81Å; W210-F218 HydrophobicContact CH2-CG 3.81Å; W210-F218 HydrophobicContact CZ3-CB 3.68Å; W210-F218 AromaticContact CZ3-CD1 3.79Å; W210-F218 HydrophobicContact CZ3-CD1 3.79Å; W210-F218 HydrophobicContact CZ3-CD2 4.23Å; W210-F218 AromaticContact CZ3-CG 3.59Å; W210-F218 HydrophobicContact CZ3-CG 3.59Å; W210-Y231 AromaticContact CD2-CD1 3.95Å; W210-Y231 HydrophobicContact CD2-CD1 3.95Å; W210-Y231 AromaticContact CE2-CD1 3.54Å; W210-Y231 HydrophobicContact CG-CD1 4.27Å; W210-Y231 HydrophobicContact CH2-CD1 4.41Å; W210-Y231 AromaticContact CZ2-CD1 3.82Å; W210-Y231 HydrophobicContact CZ2-CD1 3.82Å; W210-Y231 HydrophobicContact CZ2-CG 4.23Å; W210-Y231 AromaticContact NE1-CD1 3.59Å; W210-P233 HydrophobicContact CH2-CB 4.07Å; W210-P233 HydrophobicContact CH2-CG 4.4Å; W210-P233 HydrophobicContact CZ3-CB 4.49Å | ||
| 211 | N | 96.2 | Very high | 95.3 | Very high | 82 Ų | 82 | 63 Ų | 63 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | trans | -80.4 | 172.5 | 165.8 | 71.8 | 55.9 | 0 | 0 | 0 | 111.1 | L213 E214 S215 | N211-L213 VanDerWaalsContact C-N 3.33Å; N211-L213 PolarHBondContact O-N 3.24Å; N211-L213 WeakPolarHBondContact OD1-CA 3.49Å; N211-L213 WeakPolarHBondContact OD1-CB 3.3Å; N211-L213 PolarHBondContact OD1-N 3.41Å; N211-E214 PolarHBondContact N-OE2 2.81Å; N211-E214 PolarHBondContact ND2-OE2 3.45Å; N211-E214 PolarHBondContact O-N 3.05Å; N211-E214 PolarHBondContact OD1-N 3.04Å; N211-S215 WeakPolarHBondContact O-CB 3.48Å; N211-S215 PolarHBondContact O-N 2.95Å; N211-S215 PolarHBondContact O-OG 3.18Å | ||
| 212 | F | 97.3 | Very high | 95.2 | Very high | 99 Ų | 99 | 60.9 Ų | 60.9 | 43% | 0.434 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.9 | -37.6 | -178.8 | 180 | -95 | 0 | 0 | 0 | 113.1 | L197 A200 A201 S215 F216 | L197-F212 HydrophobicContact CD2-CZ 4.14Å; A200-F212 HydrophobicContact CB-CD2 4.16Å; A200-F212 HydrophobicContact CB-CE2 3.71Å; A200-F212 HydrophobicContact CB-CZ 4.11Å; A201-F212 HydrophobicContact CB-CE2 4.35Å; F212-S215 PolarHBondContact O-N 3.28Å; F212-F216 HydrophobicContact CE1-CB 4.5Å; F212-F216 WeakPolarHBondContact O-CB 3.35Å; F212-F216 PolarHBondContact O-N 2.96Å |
| 213 | L | 97 | Very high | 95.3 | Very high | 126 Ų | 126 | 57 Ų | 57 | 66% | 0.66 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -67.2 | -43.9 | 179.5 | 177.8 | 64.6 | 0 | 0 | 0 | 110.8 | N211 S215 F216 Y217 | N211-L213 VanDerWaalsContact C-N 3.33Å; N211-L213 PolarHBondContact O-N 3.24Å; N211-L213 WeakPolarHBondContact OD1-CA 3.49Å; N211-L213 WeakPolarHBondContact OD1-CB 3.3Å; N211-L213 PolarHBondContact OD1-N 3.41Å; L213-S215 VanDerWaalsContact C-N 3.32Å; L213-S215 PolarHBondContact O-N 2.94Å; L213-F216 PolarHBondContact O-N 3.4Å; L213-Y217 WeakPolarHBondContact O-CB 3.5Å; L213-Y217 PolarHBondContact O-N 2.89Å |
| 214 | E | 96.9 | Very high | 95.2 | Very high | 44 Ų | 44 | 58.7 Ų | 58.7 | 21% | 0.206 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 175.2 | -68 | 171 | 138 | 0 | 0 | 111.2 | W210 N211 Y217 F218 Y231 | W210-E214 WeakPolarHBondContact CA-OE2 3.46Å; W210-E214 HydrophobicContact CB-CB 4.5Å; N211-E214 PolarHBondContact N-OE2 2.81Å; N211-E214 PolarHBondContact ND2-OE2 3.45Å; N211-E214 PolarHBondContact O-N 3.05Å; N211-E214 PolarHBondContact OD1-N 3.04Å; E214-Y217 PolarHBondContact O-N 3.18Å; E214-F218 WeakPolarHBondContact O-CB 3.49Å; E214-F218 PolarHBondContact O-N 3.42Å; E214-Y231 HydrophobicContact CB-CD1 4.25Å; E214-Y231 HydrophobicContact CB-CE1 3.71Å; E214-Y231 VanDerWaalsContact CD-OH 3.3Å; E214-Y231 HydrophobicContact CG-CE1 3.8Å; E214-Y231 WeakPolarHBondContact CG-OH 3.41Å; E214-Y231 PolarHBondContact OE1-OH 2.84Å |
| 215 | S | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 176.3 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | A200 S204 N211 F212 L213 F218 C219 | A200-S215 WeakPolarHBondContact O-CB 3.43Å; S204-S215 WeakPolarHBondContact CA-OG 3.24Å; S204-S215 WeakPolarHBondContact CB-OG 3.38Å; S204-S215 PolarHBondContact N-OG 3.5Å; S204-S215 VanDerWaalsContact N-OG 3.09Å; N211-S215 WeakPolarHBondContact O-CB 3.48Å; N211-S215 PolarHBondContact O-N 2.95Å; N211-S215 PolarHBondContact O-OG 3.18Å; F212-S215 PolarHBondContact O-N 3.28Å; L213-S215 VanDerWaalsContact C-N 3.32Å; L213-S215 PolarHBondContact O-N 2.94Å; S215-F218 PolarHBondContact O-N 2.84Å; S215-C219 PolarHBondContact O-N 3.09Å; S215-C219 PolarHBondContact O-SG 3.46Å |
| 216 | F | 98.1 | Very high | 95.4 | Very high | 63 Ų | 63 | 59.3 Ų | 59.3 | 28% | 0.276 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67 | -42.1 | 175.3 | -176.9 | -84.4 | 0 | 0 | 0 | 111.6 | F196 L197 A200 F212 L213 C219 F220 | F196-F216 HydrophobicContact CB-CD2 4.05Å; F196-F216 HydrophobicContact CB-CE2 3.56Å; F196-F216 HydrophobicContact CB-CZ 4.23Å; F196-F216 HydrophobicContact CD1-CE2 4.44Å; F196-F216 HydrophobicContact CD1-CZ 4.35Å; F196-F216 HydrophobicContact CG-CE2 4.4Å; L197-F216 HydrophobicContact CD2-CD2 4.13Å; L197-F216 HydrophobicContact CD2-CE2 3.87Å; A200-F216 HydrophobicContact CB-CB 3.89Å; A200-F216 HydrophobicContact CB-CD2 4.35Å; F212-F216 HydrophobicContact CE1-CB 4.5Å; F212-F216 WeakPolarHBondContact O-CB 3.35Å; F212-F216 PolarHBondContact O-N 2.96Å; L213-F216 PolarHBondContact O-N 3.4Å; F216-C219 WeakPolarHBondContact O-CB 3.37Å; F216-C219 PolarHBondContact O-N 3.42Å; F216-F220 PolarHBondContact O-N 2.9Å |
| 217 | Y | 97.8 | Very high | 95.5 | Very high | 77 Ų | 77 | 55.1 Ų | 55.1 | 30% | 0.302 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 175.2 | 167.5 | -101.5 | 0 | 0 | 0 | 110.9 | L213 E214 C219 F220 I221 L228 D230 Y231 | L213-Y217 WeakPolarHBondContact O-CB 3.5Å; L213-Y217 PolarHBondContact O-N 2.89Å; E214-Y217 PolarHBondContact O-N 3.18Å; Y217-C219 PolarHBondContact O-N 3.41Å; Y217-F220 WeakPolarHBondContact O-CA 3.35Å; Y217-F220 WeakPolarHBondContact O-CB 3.27Å; Y217-F220 PolarHBondContact O-N 3.39Å; Y217-F220 VanDerWaalsContact O-N 3.09Å; Y217-I221 HydrophobicContact CD1-CD1 4.29Å; Y217-I221 HydrophobicContact CD2-CG2 3.94Å; Y217-I221 HydrophobicContact CE1-CD1 3.78Å; Y217-I221 HydrophobicContact CE1-CG2 4.32Å; Y217-I221 HydrophobicContact CE2-CG2 3.53Å; Y217-I221 WeakPolarHBondContact O-CG1 3.31Å; Y217-I221 PolarHBondContact O-N 3.09Å; Y217-L228 WeakPolarHBondContact OH-CD1 3.33Å; Y217-D230 WeakPolarHBondContact CE1-OD2 3.44Å; Y217-D230 PolarHBondContact OH-OD2 3.14Å; Y217-Y231 AromaticContact CD1-CD2 3.91Å; Y217-Y231 HydrophobicContact CD1-CD2 3.91Å; Y217-Y231 HydrophobicContact CD1-CE2 4.19Å; Y217-Y231 AromaticContact CE1-CD2 3.77Å; Y217-Y231 HydrophobicContact CE1-CD2 3.77Å; Y217-Y231 HydrophobicContact CE1-CE2 4.09Å |
| 218 | F | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -54 | -52.4 | 171.6 | 165.3 | -103.7 | 0 | 0 | 0 | 111.3 | Y120 F203 W210 E214 S215 F220 I221 S222 Y231 P233 Y252 | Y120-F218 HydrophobicContact CE1-CE2 4.22Å; F203-F218 AromaticContact CD2-CD1 4Å; F203-F218 HydrophobicContact CD2-CD1 4Å; F203-F218 HydrophobicContact CD2-CE1 4.07Å; F203-F218 HydrophobicContact CE1-CE1 4.12Å; F203-F218 HydrophobicContact CE2-CD1 4.03Å; F203-F218 AromaticContact CE2-CE1 3.64Å; F203-F218 HydrophobicContact CE2-CE1 3.64Å; F203-F218 HydrophobicContact CG-CD1 4.4Å; F203-F218 HydrophobicContact CZ-CD1 4.42Å; F203-F218 AromaticContact CZ-CE1 3.68Å; F203-F218 HydrophobicContact CZ-CE1 3.68Å; W210-F218 HydrophobicContact CH2-CB 4.11Å; W210-F218 HydrophobicContact CH2-CD1 4.26Å; W210-F218 AromaticContact CH2-CD2 3.96Å; W210-F218 HydrophobicContact CH2-CD2 3.96Å; W210-F218 AromaticContact CH2-CG 3.81Å; W210-F218 HydrophobicContact CH2-CG 3.81Å; W210-F218 HydrophobicContact CZ3-CB 3.68Å; W210-F218 AromaticContact CZ3-CD1 3.79Å; W210-F218 HydrophobicContact CZ3-CD1 3.79Å; W210-F218 HydrophobicContact CZ3-CD2 4.23Å; W210-F218 AromaticContact CZ3-CG 3.59Å; W210-F218 HydrophobicContact CZ3-CG 3.59Å; E214-F218 WeakPolarHBondContact O-CB 3.49Å; E214-F218 PolarHBondContact O-N 3.42Å; S215-F218 PolarHBondContact O-N 2.84Å; F218-F220 VanDerWaalsContact C-N 3.25Å; F218-F220 PolarHBondContact O-N 3.35Å; F218-I221 WeakPolarHBondContact O-CG1 3.31Å; F218-I221 PolarHBondContact O-N 3.05Å; F218-S222 WeakPolarHBondContact CD2-OG 3.4Å; F218-S222 WeakPolarHBondContact CE2-OG 3.47Å; F218-S222 WeakPolarHBondContact O-CB 3.27Å; F218-S222 PolarHBondContact O-N 2.98Å; F218-S222 PolarHBondContact O-OG 2.94Å; F218-Y231 VanDerWaalsContact CD2-O 3.27Å; F218-Y231 WeakPolarHBondContact CD2-O 3.34Å; F218-P233 HydrophobicContact CE1-CG 3.87Å; F218-P233 HydrophobicContact CE2-CG 4.05Å; F218-P233 HydrophobicContact CZ-CG 3.48Å; F218-P233 VanDerWaalsContact CZ-CG 3.48Å; F218-Y252 HydrophobicContact CE1-CE1 4.36Å |
| 219 | C | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.3 | -46.1 | 176.3 | -66.5 | 0 | 0 | 0 | 0 | 110.9 | F196 S215 F216 Y217 S222 L223 Y252 | F196-C219 HydrophobicContact CD1-CB 4.15Å; S215-C219 PolarHBondContact O-N 3.09Å; S215-C219 PolarHBondContact O-SG 3.46Å; F216-C219 WeakPolarHBondContact O-CB 3.37Å; F216-C219 PolarHBondContact O-N 3.42Å; Y217-C219 PolarHBondContact O-N 3.41Å; C219-S222 PolarHBondContact O-N 3.43Å; C219-L223 HydrophobicContact CB-CD1 4.09Å; C219-L223 WeakPolarHBondContact O-CB 3.38Å; C219-L223 WeakPolarHBondContact O-CD1 3.36Å; C219-L223 PolarHBondContact O-N 2.89Å; C219-Y252 WeakPolarHBondContact CB-OH 3.36Å; C219-Y252 PolarHBondContact SG-OH 3.44Å |
| 220 | F | 97.3 | Very high | 95.9 | Very high | 104 Ų | 104 | 49.2 Ų | 49.2 | 46% | 0.456 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.5 | -55.6 | -179.4 | -178.4 | -95.2 | 0 | 0 | 0 | 113.8 | F196 F216 Y217 F218 S222 S224 I226 | F196-F220 HydrophobicContact CD1-CB 4.48Å; F196-F220 HydrophobicContact CE1-CB 4.25Å; F196-F220 HydrophobicContact CE1-CD2 4.1Å; F216-F220 PolarHBondContact O-N 2.9Å; Y217-F220 WeakPolarHBondContact O-CA 3.35Å; Y217-F220 WeakPolarHBondContact O-CB 3.27Å; Y217-F220 PolarHBondContact O-N 3.39Å; Y217-F220 VanDerWaalsContact O-N 3.09Å; F218-F220 VanDerWaalsContact C-N 3.25Å; F218-F220 PolarHBondContact O-N 3.35Å; F220-S222 PolarHBondContact O-N 2.96Å; F220-S224 VanDerWaalsContact O-CB 3.27Å; F220-S224 WeakPolarHBondContact O-CB 3.35Å; F220-S224 PolarHBondContact O-N 3.35Å; F220-S224 PolarHBondContact O-OG 2.88Å; F220-I226 HydrophobicContact CE1-CD1 4.28Å |
| 221 | I | 96.7 | Very high | 95.9 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.015 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.4 | -27.4 | -178.3 | 65.7 | 176.2 | 0 | 0 | 0 | 112.1 | Y217 F218 S224 I226 G227 L228 D230 | Y217-I221 HydrophobicContact CD1-CD1 4.29Å; Y217-I221 HydrophobicContact CD2-CG2 3.94Å; Y217-I221 HydrophobicContact CE1-CD1 3.78Å; Y217-I221 HydrophobicContact CE1-CG2 4.32Å; Y217-I221 HydrophobicContact CE2-CG2 3.53Å; Y217-I221 WeakPolarHBondContact O-CG1 3.31Å; Y217-I221 PolarHBondContact O-N 3.09Å; F218-I221 WeakPolarHBondContact O-CG1 3.31Å; F218-I221 PolarHBondContact O-N 3.05Å; I221-S224 PolarHBondContact O-OG 3.36Å; I221-I226 HydrophobicContact CB-CB 4.39Å; I221-I226 PolarHBondContact O-N 3.35Å; I221-G227 PolarHBondContact O-N 3.27Å; I221-L228 HydrophobicContact CD1-CB 4.27Å; I221-L228 HydrophobicContact CG2-CD1 4.37Å; I221-D230 WeakPolarHBondContact CD1-OD1 3.47Å |
| 222 | S | 97 | Very high | 95.7 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -78.4 | -51 | -178.5 | -58 | 0 | 0 | 0 | 0 | 112.4 | Y120 F218 C219 F220 S224 T225 | Y120-S222 WeakPolarHBondContact OH-CB 3.34Å; Y120-S222 PolarHBondContact OH-OG 3.49Å; F218-S222 WeakPolarHBondContact CD2-OG 3.4Å; F218-S222 WeakPolarHBondContact CE2-OG 3.47Å; F218-S222 WeakPolarHBondContact O-CB 3.27Å; F218-S222 PolarHBondContact O-N 2.98Å; F218-S222 PolarHBondContact O-OG 2.94Å; C219-S222 PolarHBondContact O-N 3.43Å; F220-S222 PolarHBondContact O-N 2.96Å; S222-S224 VanDerWaalsContact C-N 3.33Å; S222-S224 PolarHBondContact O-N 2.91Å; S222-T225 PolarHBondContact O-N 2.97Å; S222-T225 VanDerWaalsContact O-N 3.15Å |
| 223 | L | 96.6 | Very high | 95.4 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73.2 | -23.4 | -179 | -83 | 118.8 | 0 | 0 | 0 | 113.4 | F195 F196 C219 Y252 G256 M260 | F195-L223 HydrophobicContact CB-CD2 4.29Å; F196-L223 HydrophobicContact CZ-CB 4.27Å; C219-L223 HydrophobicContact CB-CD1 4.09Å; C219-L223 WeakPolarHBondContact O-CB 3.38Å; C219-L223 WeakPolarHBondContact O-CD1 3.36Å; C219-L223 PolarHBondContact O-N 2.89Å; L223-Y252 HydrophobicContact CD1-CE1 4.42Å; L223-Y252 HydrophobicContact CD1-CE2 4.36Å; L223-Y252 WeakPolarHBondContact CD1-OH 3.28Å; L223-G256 WeakPolarHBondContact CD2-O 3.44Å; L223-M260 HydrophobicContact CB-CG 4.1Å; L223-M260 HydrophobicContact CD2-CG 3.57Å; L223-M260 HydrophobicContact CD2-SD 4.49Å |
| 224 | S | 95.4 | Very high | 94.9 | Very high | 45 Ų | 45 | 36.6 Ų | 36.6 | 32% | 0.315 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 2.4 | 171 | 60.9 | 0 | 0 | 0 | 0 | 113.5 | F220 I221 S222 I226 | F220-S224 VanDerWaalsContact O-CB 3.27Å; F220-S224 WeakPolarHBondContact O-CB 3.35Å; F220-S224 PolarHBondContact O-N 3.35Å; F220-S224 PolarHBondContact O-OG 2.88Å; I221-S224 PolarHBondContact O-OG 3.36Å; S222-S224 VanDerWaalsContact C-N 3.33Å; S222-S224 PolarHBondContact O-N 2.91Å; S224-I226 PolarHBondContact O-N 2.95Å; S224-I226 WeakPolarHBondContact OG-CD1 3.42Å; S224-I226 WeakPolarHBondContact OG-CG1 3.45Å |
| 225 | T | 95.7 | Very high | 94.3 | Very high | 46 Ų | 46 | 37.7 Ų | 37.7 | 28% | 0.282 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 31.3 | -177.8 | 69.6 | 0 | 0 | 0 | 0 | 113.5 | S116 S222 L257 | S116-T225 WeakPolarHBondContact O-CG2 3.36Å; S222-T225 PolarHBondContact O-N 2.97Å; S222-T225 VanDerWaalsContact O-N 3.15Å; T225-L257 HydrophobicContact CG2-CD1 3.64Å; T225-L257 HydrophobicContact CG2-CD2 4.46Å |
| 226 | I | 96.4 | Very high | 93.4 | Very high | 90 Ų | 90 | 39.4 Ų | 39.4 | 46% | 0.462 | 21% | 0.207 | S | C | . | . | trans | -78.7 | -48.7 | 171.6 | -62.6 | 171.6 | 0 | 0 | 0 | 109.3 | F220 I221 S224 L228 | F220-I226 HydrophobicContact CE1-CD1 4.28Å; I221-I226 HydrophobicContact CB-CB 4.39Å; I221-I226 PolarHBondContact O-N 3.35Å; S224-I226 PolarHBondContact O-N 2.95Å; S224-I226 WeakPolarHBondContact OG-CD1 3.42Å; S224-I226 WeakPolarHBondContact OG-CG1 3.45Å; I226-L228 HydrophobicContact CG2-CD1 4.47Å; I226-L228 HydrophobicContact CG2-CD2 4.02Å; I226-L228 HydrophobicContact CG2-CG 3.87Å | ||
| 227 | G | 94.5 | Very high | 92 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | trans | 56.4 | 57.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | T118 Y120 I221 G229 | T118-G227 WeakPolarHBondContact O-CA 3.29Å; Y120-G227 WeakPolarHBondContact CA-O 3.35Å; I221-G227 PolarHBondContact O-N 3.27Å; G227-G229 VanDerWaalsContact C-N 3.27Å; G227-G229 PolarHBondContact O-N 2.93Å | ||
| 228 | L | 92.7 | Very high | 90.7 | Very high | 106 Ų | 106 | 42.4 Ų | 42.4 | 56% | 0.555 | 24% | 0.238 | S | C | * | . | trans | -63.5 | -31.7 | 179.3 | -65 | 171.4 | 0 | 0 | 0 | 113.4 | Y217 I221 I226 D230 | Y217-L228 WeakPolarHBondContact OH-CD1 3.33Å; I221-L228 HydrophobicContact CD1-CB 4.27Å; I221-L228 HydrophobicContact CG2-CD1 4.37Å; I226-L228 HydrophobicContact CG2-CD1 4.47Å; I226-L228 HydrophobicContact CG2-CD2 4.02Å; I226-L228 HydrophobicContact CG2-CG 3.87Å; L228-D230 VanDerWaalsContact C-N 3.27Å; L228-D230 PolarHBondContact O-N 3.07Å | ||
| 229 | G | 91.1 | Very high | 89.7 | Confident | 19 Ų | 19 | 44.6 Ų | 44.6 | 20% | 0.196 | 25% | 0.248 | C | C | . | . | trans | 77.8 | 8.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y120 G227 Y231 | Y120-G229 VanDerWaalsContact O-CA 3.31Å; Y120-G229 WeakPolarHBondContact O-CA 3.44Å; G227-G229 VanDerWaalsContact C-N 3.27Å; G227-G229 PolarHBondContact O-N 2.93Å; G229-Y231 VanDerWaalsContact C-N 3.29Å | ||
| 230 | D | 90.7 | Very high | 88.7 | Confident | 86 Ų | 86 | 53.5 Ų | 53.5 | 46% | 0.46 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -61.4 | -37.1 | 165.3 | 50.1 | -6.8 | 0 | 0 | 0 | 112 | Y217 I221 L228 | Y217-D230 WeakPolarHBondContact CE1-OD2 3.44Å; Y217-D230 PolarHBondContact OH-OD2 3.14Å; I221-D230 WeakPolarHBondContact CD1-OD1 3.47Å; L228-D230 VanDerWaalsContact C-N 3.27Å; L228-D230 PolarHBondContact O-N 3.07Å |
| 231 | Y | 93.1 | Very high | 88 | Confident | 56 Ų | 56 | 56.7 Ų | 56.7 | 22% | 0.22 | 30% | 0.301 | C | S | . | . | trans | -118.4 | 118.5 | 172.7 | -67.1 | -92.7 | 0 | 0 | 0 | 110.4 | W210 E214 Y217 F218 G229 | W210-Y231 AromaticContact CD2-CD1 3.95Å; W210-Y231 HydrophobicContact CD2-CD1 3.95Å; W210-Y231 AromaticContact CE2-CD1 3.54Å; W210-Y231 HydrophobicContact CG-CD1 4.27Å; W210-Y231 HydrophobicContact CH2-CD1 4.41Å; W210-Y231 AromaticContact CZ2-CD1 3.82Å; W210-Y231 HydrophobicContact CZ2-CD1 3.82Å; W210-Y231 HydrophobicContact CZ2-CG 4.23Å; W210-Y231 AromaticContact NE1-CD1 3.59Å; E214-Y231 HydrophobicContact CB-CD1 4.25Å; E214-Y231 HydrophobicContact CB-CE1 3.71Å; E214-Y231 VanDerWaalsContact CD-OH 3.3Å; E214-Y231 HydrophobicContact CG-CE1 3.8Å; E214-Y231 WeakPolarHBondContact CG-OH 3.41Å; E214-Y231 PolarHBondContact OE1-OH 2.84Å; Y217-Y231 AromaticContact CD1-CD2 3.91Å; Y217-Y231 HydrophobicContact CD1-CD2 3.91Å; Y217-Y231 HydrophobicContact CD1-CE2 4.19Å; Y217-Y231 AromaticContact CE1-CD2 3.77Å; Y217-Y231 HydrophobicContact CE1-CD2 3.77Å; Y217-Y231 HydrophobicContact CE1-CE2 4.09Å; F218-Y231 VanDerWaalsContact CD2-O 3.27Å; F218-Y231 WeakPolarHBondContact CD2-O 3.34Å; G229-Y231 VanDerWaalsContact C-N 3.29Å | ||
| 232 | V | 91.8 | Very high | 87.5 | Confident | 15 Ų | 15 | 58 Ų | 58 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | trans | -135.1 | 118.6 | 173.5 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | F109 Y120 H122 E235 | F109-V232 HydrophobicContact CE1-CG1 4.01Å; F109-V232 HydrophobicContact CZ-CG1 4.17Å; Y120-V232 HydrophobicContact CD1-CG2 4.24Å; Y120-V232 HydrophobicContact CG-CG2 4.11Å; H122-V232 HydrophobicContact CB-CG2 4.27Å; V232-E235 HydrophobicContact CB-CG 4.14Å; V232-E235 HydrophobicContact CG1-CG 4.04Å | ||
| 233 | P | 91.6 | Very high | 87 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 153.2 | -179.5 | 30.8 | -33.5 | 0 | 0 | 0 | 110.2 | F203 E207 W210 F218 Y245 K246 I249 | F203-P233 HydrophobicContact CD1-CB 4.02Å; F203-P233 HydrophobicContact CD1-CG 4.44Å; F203-P233 HydrophobicContact CE1-CB 3.81Å; F203-P233 HydrophobicContact CE1-CG 3.87Å; F203-P233 HydrophobicContact CZ-CG 4.49Å; E207-P233 HydrophobicContact CG-CB 4.35Å; E207-P233 WeakPolarHBondContact OE1-CA 3.37Å; W210-P233 HydrophobicContact CH2-CB 4.07Å; W210-P233 HydrophobicContact CH2-CG 4.4Å; W210-P233 HydrophobicContact CZ3-CB 4.49Å; F218-P233 HydrophobicContact CE1-CG 3.87Å; F218-P233 HydrophobicContact CE2-CG 4.05Å; F218-P233 HydrophobicContact CZ-CG 3.48Å; F218-P233 VanDerWaalsContact CZ-CG 3.48Å; P233-Y245 HydrophobicContact CB-CE1 4.08Å; P233-Y245 WeakPolarHBondContact CB-OH 3.32Å; P233-K246 PolarHBondContact O-NZ 3.28Å; P233-I249 HydrophobicContact CB-CD1 3.81Å; P233-I249 HydrophobicContact CB-CG1 4.46Å; P233-I249 HydrophobicContact CG-CD1 3.61Å; P233-I249 HydrophobicContact CG-CG1 3.97Å; P233-I249 HydrophobicContact CG-CG2 3.96Å |
| 234 | G | 86.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 15.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E207 R242 K246 | E207-G234 PolarHBondContact OE1-N 3.5Å; G234-R242 PolarHBondContact O-NE 3.35Å; G234-R242 PolarHBondContact O-NH2 3.04Å; G234-K246 WeakPolarHBondContact O-CE 3.37Å |
| 235 | E | 84.1 | Confident | 86.6 | Confident | 68 Ų | 68 | 70 Ų | 70 | 32% | 0.318 | 36% | 0.358 | S | S | . | . | trans | -108.3 | -8.5 | -176.8 | -66.9 | -53.3 | 117.4 | 0 | 0 | 114.1 | V232 R242 K246 | V232-E235 HydrophobicContact CB-CG 4.14Å; V232-E235 HydrophobicContact CG1-CG 4.04Å; E235-R242 IonicContact OE1-NH2 2.64Å; E235-R242 PolarHBondContact OE1-NH2 3.34Å; E235-R242 IonicContact OE2-NH2 3.03Å; E235-R242 PolarHBondContact OE2-NH2 2.93Å; E235-K246 WeakPolarHBondContact OE1-CE 3.4Å; E235-K246 IonicContact OE1-NZ 2.68Å; E235-K246 PolarHBondContact OE1-NZ 3.44Å | ||
| 236 | A | 78.9 | Confident | 86.4 | Confident | 35 Ų | 35 | 67.9 Ų | 67.9 | 29% | 0.289 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -68.1 | 147.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q239 | A236-Q239 HydrophobicContact CB-CG 3.92Š|
| 237 | A | 68.4 | Low | 86.2 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 140.7 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q239 | A237-Q239 VanDerWaalsContact C-N 3.33Å; A237-Q239 PolarHBondContact O-N 3.35Å |
| 238 | N | 70 | Confident | 86.3 | Confident | 152 Ų | 152 | 67.8 Ų | 67.8 | 81% | 0.813 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 25.5 | 176.8 | -63.3 | -25.4 | 0 | 0 | 0 | 117 | K240 | N238-K240 PolarHBondContact O-N 3.5Š|
| 239 | Q | 76.2 | Confident | 86.4 | Confident | 45 Ų | 45 | 62.9 Ų | 62.9 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | trans | -65.3 | 122.6 | 170.6 | -73.9 | -173.8 | -10.6 | 0 | 0 | 111.7 | E207 A236 A237 | E207-Q239 PolarHBondContact OE1-NE2 2.88Å; E207-Q239 PolarHBondContact OE2-NE2 3.4Å; A236-Q239 HydrophobicContact CB-CG 3.92Å; A237-Q239 VanDerWaalsContact C-N 3.33Å; A237-Q239 PolarHBondContact O-N 3.35Å | ||
| 240 | K | 77.6 | Confident | 86.6 | Confident | 188 Ų | 188 | 62.4 Ų | 62.4 | 82% | 0.817 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 140 | 173.9 | -65.2 | -178.5 | -177.7 | 175.7 | 0 | 109.8 | N238 R242 | N238-K240 PolarHBondContact O-N 3.5Å; K240-R242 VanDerWaalsContact C-N 3.3Å; K240-R242 PolarHBondContact O-N 3.35Å |
| 241 | F | 82.3 | Confident | 86.9 | Confident | 171 Ų | 171 | 62.4 Ų | 62.4 | 75% | 0.75 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 31.8 | 179.5 | -52.8 | -75.9 | 0 | 0 | 0 | 115.2 | E243 L244 Y245 | F241-E243 VanDerWaalsContact C-N 3.27Å; F241-E243 PolarHBondContact O-N 3.32Å; F241-L244 PolarHBondContact O-N 2.99Å; F241-Y245 PolarHBondContact O-N 2.64Å |
| 242 | R | 85.8 | Confident | 87.1 | Confident | 31 Ų | 31 | 61.3 Ų | 61.3 | 12% | 0.117 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -49 | -43.7 | 179.4 | -172.9 | -176.8 | -177.9 | -148.3 | 0.4 | 113.5 | G234 E235 K240 Y245 K246 | G234-R242 PolarHBondContact O-NE 3.35Å; G234-R242 PolarHBondContact O-NH2 3.04Å; E235-R242 IonicContact OE1-NH2 2.64Å; E235-R242 PolarHBondContact OE1-NH2 3.34Å; E235-R242 IonicContact OE2-NH2 3.03Å; E235-R242 PolarHBondContact OE2-NH2 2.93Å; K240-R242 VanDerWaalsContact C-N 3.3Å; K240-R242 PolarHBondContact O-N 3.35Å; R242-Y245 WeakPolarHBondContact O-CB 3.29Å; R242-Y245 PolarHBondContact O-N 3.27Å; R242-K246 HydrophobicContact CG-CG 4.44Å; R242-K246 WeakPolarHBondContact O-CG 3.15Å; R242-K246 PolarHBondContact O-N 3.11Å |
| 243 | E | 87.6 | Confident | 87.4 | Confident | 132 Ų | 132 | 61.2 Ų | 61.2 | 62% | 0.617 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -58.7 | -50.1 | -179.6 | -68.3 | -176.7 | 177.9 | 0 | 0 | 112.6 | T105 F241 Y245 K246 V247 | T105-E243 HydrophobicContact CG2-CB 3.88Å; T105-E243 HydrophobicContact CG2-CG 4.19Å; F241-E243 VanDerWaalsContact C-N 3.27Å; F241-E243 PolarHBondContact O-N 3.32Å; E243-Y245 VanDerWaalsContact C-N 3.29Å; E243-Y245 PolarHBondContact O-N 2.82Å; E243-K246 PolarHBondContact O-N 2.88Å; E243-V247 WeakPolarHBondContact O-CG2 3.43Å; E243-V247 PolarHBondContact O-N 3.21Å; E243-V247 VanDerWaalsContact O-N 3.11Å |
| 244 | L | 91 | Very high | 87.6 | Confident | 128 Ų | 128 | 64.5 Ų | 64.5 | 67% | 0.67 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.3 | -37.5 | 178.1 | -178.4 | 61.7 | 0 | 0 | 0 | 111 | F241 V247 G248 | F241-L244 PolarHBondContact O-N 2.99Å; L244-V247 PolarHBondContact O-N 3.31Å; L244-G248 PolarHBondContact O-N 3.03Å |
| 245 | Y | 91.9 | Very high | 88.1 | Confident | 46 Ų | 46 | 68.8 Ų | 68.8 | 18% | 0.18 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 177.5 | -175.8 | -134.8 | 0 | 0 | 0 | 111.9 | F203 L206 E207 P233 F241 R242 E243 V247 G248 I249 | F203-Y245 WeakPolarHBondContact CD1-OH 3.25Å; F203-Y245 HydrophobicContact CE1-CE2 4.35Å; F203-Y245 VanDerWaalsContact CE1-OH 3.25Å; F203-Y245 WeakPolarHBondContact CE1-OH 3.3Å; L206-Y245 HydrophobicContact CD1-CD2 4.46Å; L206-Y245 HydrophobicContact CD1-CE2 3.65Å; E207-Y245 WeakPolarHBondContact OE1-CE1 3.44Å; P233-Y245 HydrophobicContact CB-CE1 4.08Å; P233-Y245 WeakPolarHBondContact CB-OH 3.32Å; F241-Y245 PolarHBondContact O-N 2.64Å; R242-Y245 WeakPolarHBondContact O-CB 3.29Å; R242-Y245 PolarHBondContact O-N 3.27Å; E243-Y245 VanDerWaalsContact C-N 3.29Å; E243-Y245 PolarHBondContact O-N 2.82Å; Y245-V247 VanDerWaalsContact C-N 3.35Å; Y245-V247 PolarHBondContact O-N 3.46Å; Y245-G248 CarbonylContact O-C 3.58Å; Y245-G248 WeakPolarHBondContact O-CA 3.38Å; Y245-G248 PolarHBondContact O-N 2.91Å; Y245-G248 VanDerWaalsContact O-N 3.09Å; Y245-I249 HydrophobicContact CD1-CD1 3.76Å; Y245-I249 HydrophobicContact CD2-CD1 4.06Å; Y245-I249 HydrophobicContact CD2-CG1 4.21Å; Y245-I249 HydrophobicContact CE1-CD1 3.65Å; Y245-I249 HydrophobicContact CE2-CD1 3.94Å; Y245-I249 HydrophobicContact CE2-CG1 3.97Å; Y245-I249 HydrophobicContact CG-CD1 3.98Å; Y245-I249 WeakPolarHBondContact O-CD1 3.42Å; Y245-I249 VanDerWaalsContact O-CG1 3.29Å; Y245-I249 WeakPolarHBondContact O-CG1 3.37Å; Y245-I249 PolarHBondContact O-N 3.28Å |
| 246 | K | 91.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 0% | 0.004 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.6 | -41.6 | 175.1 | -76.2 | -66.1 | -167.3 | -176.2 | 0 | 112.8 | P233 G234 E235 R242 E243 I249 T250 | P233-K246 PolarHBondContact O-NZ 3.28Å; G234-K246 WeakPolarHBondContact O-CE 3.37Å; E235-K246 WeakPolarHBondContact OE1-CE 3.4Å; E235-K246 IonicContact OE1-NZ 2.68Å; E235-K246 PolarHBondContact OE1-NZ 3.44Å; R242-K246 HydrophobicContact CG-CG 4.44Å; R242-K246 WeakPolarHBondContact O-CG 3.15Å; R242-K246 PolarHBondContact O-N 3.11Å; E243-K246 PolarHBondContact O-N 2.88Å; K246-I249 HydrophobicContact CD-CD1 4.36Å; K246-I249 PolarHBondContact O-N 2.81Å; K246-T250 PolarHBondContact O-N 2.79Å; K246-T250 PolarHBondContact O-OG1 3.38Å |
| 247 | V | 94.1 | Very high | 89.5 | Confident | 54 Ų | 54 | 64.9 Ų | 64.9 | 33% | 0.327 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 173 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | T105 E243 L244 Y245 I249 T250 V251 | T105-V247 HydrophobicContact CG2-CG2 4.05Å; E243-V247 WeakPolarHBondContact O-CG2 3.43Å; E243-V247 PolarHBondContact O-N 3.21Å; E243-V247 VanDerWaalsContact O-N 3.11Å; L244-V247 PolarHBondContact O-N 3.31Å; Y245-V247 VanDerWaalsContact C-N 3.35Å; Y245-V247 PolarHBondContact O-N 3.46Å; V247-I249 PolarHBondContact O-N 3.3Å; V247-T250 WeakPolarHBondContact O-CB 3.34Å; V247-T250 PolarHBondContact O-N 3.33Å; V247-V251 WeakPolarHBondContact O-CG2 3.23Å; V247-V251 PolarHBondContact O-N 3.31Å |
| 248 | G | 95.6 | Very high | 90.9 | Very high | 39 Ų | 39 | 63.1 Ų | 63.1 | 40% | 0.402 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | L244 Y245 T250 V251 Y252 | L244-G248 PolarHBondContact O-N 3.03Å; Y245-G248 CarbonylContact O-C 3.58Å; Y245-G248 WeakPolarHBondContact O-CA 3.38Å; Y245-G248 PolarHBondContact O-N 2.91Å; Y245-G248 VanDerWaalsContact O-N 3.09Å; G248-T250 VanDerWaalsContact C-N 3.35Å; G248-T250 PolarHBondContact O-N 3.29Å; G248-V251 PolarHBondContact O-N 2.9Å; G248-Y252 WeakPolarHBondContact O-CB 3.47Å; G248-Y252 PolarHBondContact O-N 2.93Å |
| 249 | I | 95.2 | Very high | 92.2 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 175 | -63.4 | 152.6 | 0 | 0 | 0 | 110.3 | F109 F203 P233 Y245 K246 V247 V251 Y252 L253 | F109-I249 HydrophobicContact CD2-CG2 4.43Å; F109-I249 HydrophobicContact CE2-CG2 3.73Å; F109-I249 HydrophobicContact CZ-CG2 4.49Å; F203-I249 HydrophobicContact CE1-CG1 4.28Å; P233-I249 HydrophobicContact CB-CD1 3.81Å; P233-I249 HydrophobicContact CB-CG1 4.46Å; P233-I249 HydrophobicContact CG-CD1 3.61Å; P233-I249 HydrophobicContact CG-CG1 3.97Å; P233-I249 HydrophobicContact CG-CG2 3.96Å; Y245-I249 HydrophobicContact CD1-CD1 3.76Å; Y245-I249 HydrophobicContact CD2-CD1 4.06Å; Y245-I249 HydrophobicContact CD2-CG1 4.21Å; Y245-I249 HydrophobicContact CE1-CD1 3.65Å; Y245-I249 HydrophobicContact CE2-CD1 3.94Å; Y245-I249 HydrophobicContact CE2-CG1 3.97Å; Y245-I249 HydrophobicContact CG-CD1 3.98Å; Y245-I249 WeakPolarHBondContact O-CD1 3.42Å; Y245-I249 VanDerWaalsContact O-CG1 3.29Å; Y245-I249 WeakPolarHBondContact O-CG1 3.37Å; Y245-I249 PolarHBondContact O-N 3.28Å; K246-I249 HydrophobicContact CD-CD1 4.36Å; K246-I249 PolarHBondContact O-N 2.81Å; V247-I249 PolarHBondContact O-N 3.3Å; I249-V251 VanDerWaalsContact C-N 3.34Å; I249-V251 PolarHBondContact O-N 2.77Å; I249-Y252 WeakPolarHBondContact O-CB 3.41Å; I249-Y252 PolarHBondContact O-N 3.4Å; I249-L253 HydrophobicContact CG2-CD1 4.21Å; I249-L253 HydrophobicContact CG2-CG 4.27Å; I249-L253 WeakPolarHBondContact O-CG 3.4Å; I249-L253 PolarHBondContact O-N 2.87Å |
| 250 | T | 95.5 | Very high | 93.1 | Very high | 8 Ų | 8 | 57.9 Ų | 57.9 | 5% | 0.049 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.5 | -46.3 | 178.2 | -54.8 | 0 | 0 | 0 | 0 | 111.2 | K246 V247 G248 L253 I254 | K246-T250 PolarHBondContact O-N 2.79Å; K246-T250 PolarHBondContact O-OG1 3.38Å; V247-T250 WeakPolarHBondContact O-CB 3.34Å; V247-T250 PolarHBondContact O-N 3.33Å; G248-T250 VanDerWaalsContact C-N 3.35Å; G248-T250 PolarHBondContact O-N 3.29Å; T250-L253 PolarHBondContact O-N 3.44Å; T250-I254 HydrophobicContact CG2-CD1 4.11Å; T250-I254 WeakPolarHBondContact O-CG1 3.36Å; T250-I254 PolarHBondContact O-N 3.06Å; T250-I254 VanDerWaalsContact O-N 3.09Å |
| 251 | V | 96.7 | Very high | 94 | Very high | 87 Ų | 87 | 51.5 Ų | 51.5 | 53% | 0.527 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | V247 G248 I249 L253 I254 L255 | V247-V251 WeakPolarHBondContact O-CG2 3.23Å; V247-V251 PolarHBondContact O-N 3.31Å; G248-V251 PolarHBondContact O-N 2.9Å; I249-V251 VanDerWaalsContact C-N 3.34Å; I249-V251 PolarHBondContact O-N 2.77Å; V251-L253 PolarHBondContact O-N 3.23Å; V251-I254 PolarHBondContact O-N 3.11Å; V251-L255 WeakPolarHBondContact O-CB 3.39Å; V251-L255 PolarHBondContact O-N 3.19Å |
| 252 | Y | 97.6 | Very high | 94.7 | Very high | 33 Ų | 33 | 43.6 Ų | 43.6 | 13% | 0.129 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.8 | -47.4 | 176.2 | 159.4 | -108.7 | 0 | 0 | 0 | 112 | F195 P199 F203 F218 C219 L223 G248 I249 L255 G256 | F195-Y252 HydrophobicContact CD1-CE2 4.4Å; F195-Y252 PolarHBondContact O-OH 3.39Å; F195-Y252 VanDerWaalsContact O-OH 3.14Å; P199-Y252 HydrophobicContact CB-CE2 3.83Å; P199-Y252 HydrophobicContact CG-CE2 3.71Å; F203-Y252 HydrophobicContact CE2-CD1 4.28Å; F203-Y252 AromaticContact CE2-CE1 3.78Å; F203-Y252 HydrophobicContact CE2-CE1 3.78Å; F203-Y252 HydrophobicContact CZ-CD1 4.12Å; F203-Y252 HydrophobicContact CZ-CE1 4.03Å; F218-Y252 HydrophobicContact CE1-CE1 4.36Å; C219-Y252 WeakPolarHBondContact CB-OH 3.36Å; C219-Y252 PolarHBondContact SG-OH 3.44Å; L223-Y252 HydrophobicContact CD1-CE1 4.42Å; L223-Y252 HydrophobicContact CD1-CE2 4.36Å; L223-Y252 WeakPolarHBondContact CD1-OH 3.28Å; G248-Y252 WeakPolarHBondContact O-CB 3.47Å; G248-Y252 PolarHBondContact O-N 2.93Å; I249-Y252 WeakPolarHBondContact O-CB 3.41Å; I249-Y252 PolarHBondContact O-N 3.4Å; Y252-L255 PolarHBondContact O-N 3.18Å; Y252-G256 WeakPolarHBondContact O-CA 3.45Å; Y252-G256 PolarHBondContact O-N 2.68Å |
| 253 | L | 96.9 | Very high | 95.2 | Very high | 12 Ų | 12 | 42.8 Ų | 42.8 | 6% | 0.063 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64 | -43.3 | 179.6 | -67.3 | -178.2 | 0 | 0 | 0 | 111.9 | F109 T113 Y120 I249 T250 V251 L257 | F109-L253 HydrophobicContact CE2-CD1 3.68Å; F109-L253 HydrophobicContact CZ-CD1 4.37Å; T113-L253 HydrophobicContact CG2-CD1 4.41Å; Y120-L253 HydrophobicContact CE2-CD1 4.1Å; Y120-L253 WeakPolarHBondContact OH-CD1 3.42Å; I249-L253 HydrophobicContact CG2-CD1 4.21Å; I249-L253 HydrophobicContact CG2-CG 4.27Å; I249-L253 WeakPolarHBondContact O-CG 3.4Å; I249-L253 PolarHBondContact O-N 2.87Å; T250-L253 PolarHBondContact O-N 3.44Å; V251-L253 PolarHBondContact O-N 3.23Å; L253-L257 VanDerWaalsContact O-CB 3.26Å; L253-L257 WeakPolarHBondContact O-CB 3.46Å; L253-L257 PolarHBondContact O-N 3.12Å |
| 254 | I | 96.1 | Very high | 95.5 | Very high | 69 Ų | 69 | 41.4 Ų | 41.4 | 35% | 0.354 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.4 | -50.2 | 177.5 | -67.1 | 168.6 | 0 | 0 | 0 | 110.7 | T250 V251 L257 I258 | T250-I254 HydrophobicContact CG2-CD1 4.11Å; T250-I254 WeakPolarHBondContact O-CG1 3.36Å; T250-I254 PolarHBondContact O-N 3.06Å; T250-I254 VanDerWaalsContact O-N 3.09Å; V251-I254 PolarHBondContact O-N 3.11Å; I254-L257 PolarHBondContact O-N 3.44Å; I254-I258 HydrophobicContact CG2-CD1 4.02Å; I254-I258 WeakPolarHBondContact O-CD1 3.44Å; I254-I258 VanDerWaalsContact O-CG1 3.3Å; I254-I258 WeakPolarHBondContact O-CG1 3.49Å; I254-I258 PolarHBondContact O-N 3.4Å; I254-I258 VanDerWaalsContact O-N 3.08Å |
| 255 | L | 97.1 | Very high | 95.6 | Very high | 90 Ų | 90 | 38.5 Ų | 38.5 | 47% | 0.471 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.1 | -42.8 | -179.2 | -178.5 | 63.2 | 0 | 0 | 0 | 111.4 | F195 V251 Y252 I258 V259 | F195-L255 HydrophobicContact CE1-CB 4.5Å; F195-L255 HydrophobicContact CE1-CD2 4.09Å; F195-L255 HydrophobicContact CE1-CG 3.89Å; F195-L255 HydrophobicContact CZ-CD2 4.16Å; F195-L255 HydrophobicContact CZ-CG 4.05Å; V251-L255 WeakPolarHBondContact O-CB 3.39Å; V251-L255 PolarHBondContact O-N 3.19Å; Y252-L255 PolarHBondContact O-N 3.18Å; L255-I258 WeakPolarHBondContact O-CB 3.46Å; L255-I258 PolarHBondContact O-N 3.22Å; L255-V259 WeakPolarHBondContact O-CG2 3.44Å; L255-V259 PolarHBondContact O-N 3.29Å |
| 256 | G | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.2 | -49 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | L223 Y252 I258 V259 M260 | L223-G256 WeakPolarHBondContact CD2-O 3.44Å; Y252-G256 WeakPolarHBondContact O-CA 3.45Å; Y252-G256 PolarHBondContact O-N 2.68Å; G256-I258 VanDerWaalsContact C-N 3.31Å; G256-I258 PolarHBondContact O-N 3.14Å; G256-V259 PolarHBondContact O-N 3.33Å; G256-V259 VanDerWaalsContact O-N 3.14Å; G256-M260 WeakPolarHBondContact O-CG 3.47Å; G256-M260 PolarHBondContact O-N 2.82Å |
| 257 | L | 96.4 | Very high | 95.7 | Very high | 21 Ų | 21 | 39.8 Ų | 39.8 | 11% | 0.11 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.2 | -44.3 | 176.6 | -178.7 | 61.5 | 0 | 0 | 0 | 111.5 | L149 T225 L253 I254 V259 M260 L261 | L149-L257 HydrophobicContact CD1-CD2 3.88Å; L149-L257 HydrophobicContact CD1-CG 4.5Å; L149-L257 HydrophobicContact CD2-CD2 4.47Å; T225-L257 HydrophobicContact CG2-CD1 3.64Å; T225-L257 HydrophobicContact CG2-CD2 4.46Å; L253-L257 VanDerWaalsContact O-CB 3.26Å; L253-L257 WeakPolarHBondContact O-CB 3.46Å; L253-L257 PolarHBondContact O-N 3.12Å; I254-L257 PolarHBondContact O-N 3.44Å; L257-V259 VanDerWaalsContact C-N 3.34Å; L257-V259 PolarHBondContact O-N 2.65Å; L257-M260 PolarHBondContact O-N 3.47Å; L257-L261 HydrophobicContact CD1-CD1 4.4Å; L257-L261 HydrophobicContact CD1-CG 4.38Å; L257-L261 HydrophobicContact CG-CD1 4.19Å; L257-L261 WeakPolarHBondContact O-CB 3.36Å; L257-L261 VanDerWaalsContact O-CG 3.27Å; L257-L261 WeakPolarHBondContact O-CG 3.21Å; L257-L261 PolarHBondContact O-N 3.05Å |
| 258 | I | 97.1 | Very high | 95.5 | Very high | 15 Ų | 15 | 39 Ų | 39 | 8% | 0.077 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.5 | -46.4 | 175.9 | -68.5 | 162.6 | 0 | 0 | 0 | 110.8 | L149 V152 I156 I254 L255 G256 L261 V262 | L149-I258 HydrophobicContact CD2-CG1 3.72Å; V152-I258 HydrophobicContact CG1-CD1 4.16Å; V152-I258 HydrophobicContact CG1-CG1 4.4Å; V152-I258 HydrophobicContact CG1-CG2 3.86Å; I156-I258 HydrophobicContact CD1-CG2 3.57Å; I254-I258 HydrophobicContact CG2-CD1 4.02Å; I254-I258 WeakPolarHBondContact O-CD1 3.44Å; I254-I258 VanDerWaalsContact O-CG1 3.3Å; I254-I258 WeakPolarHBondContact O-CG1 3.49Å; I254-I258 PolarHBondContact O-N 3.4Å; I254-I258 VanDerWaalsContact O-N 3.08Å; L255-I258 WeakPolarHBondContact O-CB 3.46Å; L255-I258 PolarHBondContact O-N 3.22Å; G256-I258 VanDerWaalsContact C-N 3.31Å; G256-I258 PolarHBondContact O-N 3.14Å; I258-L261 PolarHBondContact O-N 2.79Å; I258-V262 WeakPolarHBondContact O-CG2 3.36Å; I258-V262 PolarHBondContact O-N 2.88Å |
| 259 | V | 96.9 | Very high | 95.1 | Very high | 33 Ų | 33 | 39.2 Ų | 39.2 | 20% | 0.2 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.5 | -41.9 | 179.4 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | A191 F195 L255 G256 L257 L261 V262 V263 | A191-V259 HydrophobicContact CB-CG1 3.93Å; F195-V259 HydrophobicContact CD2-CB 4.24Å; F195-V259 HydrophobicContact CD2-CG1 3.8Å; F195-V259 HydrophobicContact CD2-CG2 4.43Å; F195-V259 HydrophobicContact CE1-CG2 4.26Å; F195-V259 HydrophobicContact CE2-CB 3.95Å; F195-V259 HydrophobicContact CE2-CG1 3.74Å; F195-V259 HydrophobicContact CE2-CG2 3.65Å; F195-V259 HydrophobicContact CZ-CB 4.11Å; F195-V259 HydrophobicContact CZ-CG1 4.41Å; F195-V259 HydrophobicContact CZ-CG2 3.54Å; L255-V259 WeakPolarHBondContact O-CG2 3.44Å; L255-V259 PolarHBondContact O-N 3.29Å; G256-V259 PolarHBondContact O-N 3.33Å; G256-V259 VanDerWaalsContact O-N 3.14Å; L257-V259 VanDerWaalsContact C-N 3.34Å; L257-V259 PolarHBondContact O-N 2.65Å; V259-L261 VanDerWaalsContact C-N 3.31Å; V259-L261 PolarHBondContact O-N 2.76Å; V259-V262 PolarHBondContact O-N 3.17Å; V259-V263 HydrophobicContact CG1-CG2 4.39Å; V259-V263 WeakPolarHBondContact O-CG2 3.41Å; V259-V263 PolarHBondContact O-N 3.42Å |
| 260 | M | 96.2 | Very high | 94.8 | Very high | 55 Ų | 55 | 39.8 Ų | 39.8 | 27% | 0.271 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.1 | -40.8 | 175.7 | -72.2 | -54.3 | -65.4 | 0 | 0 | 112.2 | F196 L223 G256 L257 V263 L264 | F196-M260 HydrophobicContact CE2-CE 4.31Å; F196-M260 HydrophobicContact CE2-SD 3.53Å; F196-M260 VanDerWaalsContact CE2-SD 3.53Å; F196-M260 HydrophobicContact CZ-CE 3.93Å; F196-M260 HydrophobicContact CZ-SD 3.64Å; L223-M260 HydrophobicContact CB-CG 4.1Å; L223-M260 HydrophobicContact CD2-CG 3.57Å; L223-M260 HydrophobicContact CD2-SD 4.49Å; G256-M260 WeakPolarHBondContact O-CG 3.47Å; G256-M260 PolarHBondContact O-N 2.82Å; L257-M260 PolarHBondContact O-N 3.47Å; M260-V263 PolarHBondContact O-N 3.42Å; M260-L264 VanDerWaalsContact O-CB 3.29Å; M260-L264 WeakPolarHBondContact O-CB 3.34Å; M260-L264 PolarHBondContact O-N 3.39Å |
| 261 | L | 96.1 | Very high | 94.1 | Very high | 53 Ų | 53 | 43.9 Ų | 43.9 | 28% | 0.277 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.6 | -38.6 | 174.9 | -68.8 | 173 | 0 | 0 | 0 | 112.3 | L149 V153 L257 I258 V259 L264 E265 | L149-L261 HydrophobicContact CB-CD1 4.02Å; L149-L261 HydrophobicContact CD1-CD1 3.94Å; L149-L261 HydrophobicContact CD2-CD1 4.23Å; L149-L261 HydrophobicContact CG-CD1 4.29Å; V153-L261 HydrophobicContact CG2-CB 3.62Å; V153-L261 HydrophobicContact CG2-CD1 4.28Å; L257-L261 HydrophobicContact CD1-CD1 4.4Å; L257-L261 HydrophobicContact CD1-CG 4.38Å; L257-L261 HydrophobicContact CG-CD1 4.19Å; L257-L261 WeakPolarHBondContact O-CB 3.36Å; L257-L261 VanDerWaalsContact O-CG 3.27Å; L257-L261 WeakPolarHBondContact O-CG 3.21Å; L257-L261 PolarHBondContact O-N 3.05Å; I258-L261 PolarHBondContact O-N 2.79Å; V259-L261 VanDerWaalsContact C-N 3.31Å; V259-L261 PolarHBondContact O-N 2.76Å; L261-L264 PolarHBondContact O-N 2.69Å; L261-E265 VanDerWaalsContact O-CB 3.27Å; L261-E265 WeakPolarHBondContact O-CB 3.2Å; L261-E265 PolarHBondContact O-N 3.46Å |
| 262 | V | 96.9 | Very high | 93.4 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 173.7 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | V153 I156 M157 L187 I258 V259 T266 | V153-V262 HydrophobicContact CB-CG2 4.32Å; V153-V262 HydrophobicContact CG1-CG2 3.99Å; V153-V262 HydrophobicContact CG2-CG2 4.17Å; I156-V262 HydrophobicContact CB-CG2 4.16Å; I156-V262 HydrophobicContact CG2-CG1 4.42Å; I156-V262 HydrophobicContact CG2-CG2 3.85Å; M157-V262 HydrophobicContact CG-CG1 4.05Å; M157-V262 HydrophobicContact CG-CG2 4.46Å; L187-V262 HydrophobicContact CD2-CG1 4.33Å; I258-V262 WeakPolarHBondContact O-CG2 3.36Å; I258-V262 PolarHBondContact O-N 2.88Å; V259-V262 PolarHBondContact O-N 3.17Å; V262-T266 VanDerWaalsContact O-CB 3.27Å; V262-T266 WeakPolarHBondContact O-CB 3.35Å; V262-T266 PolarHBondContact O-N 3.35Å; V262-T266 PolarHBondContact O-OG1 2.95Å |
| 263 | V | 96.1 | Very high | 92.6 | Very high | 14 Ų | 14 | 47.7 Ų | 47.7 | 9% | 0.085 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -50.9 | 177 | 173.3 | 0 | 0 | 0 | 0 | 110 | L187 A191 V259 M260 E265 T266 F267 | L187-V263 HydrophobicContact CD2-CG2 4.44Å; L187-V263 HydrophobicContact CG-CG2 4.19Å; A191-V263 HydrophobicContact CB-CG2 3.65Å; V259-V263 HydrophobicContact CG1-CG2 4.39Å; V259-V263 WeakPolarHBondContact O-CG2 3.41Å; V259-V263 PolarHBondContact O-N 3.42Å; M260-V263 PolarHBondContact O-N 3.42Å; V263-E265 PolarHBondContact O-N 2.88Å; V263-T266 WeakPolarHBondContact O-CB 3.31Å; V263-T266 PolarHBondContact O-N 3.16Å; V263-T266 VanDerWaalsContact O-N 3.16Å; V263-F267 HydrophobicContact CG1-CD2 3.71Å; V263-F267 HydrophobicContact CG1-CE2 3.6Å; V263-F267 VanDerWaalsContact O-CD2 3.24Å; V263-F267 WeakPolarHBondContact O-CD2 3.47Å; V263-F267 PolarHBondContact O-N 2.79Å |
| 264 | L | 93.7 | Very high | 92 | Very high | 103 Ų | 103 | 50.7 Ų | 50.7 | 54% | 0.539 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56.9 | -49.3 | 179.2 | 178.6 | 63.4 | 0 | 0 | 0 | 111.8 | M260 L261 T266 F267 C268 | M260-L264 VanDerWaalsContact O-CB 3.29Å; M260-L264 WeakPolarHBondContact O-CB 3.34Å; M260-L264 PolarHBondContact O-N 3.39Å; L261-L264 PolarHBondContact O-N 2.69Å; L264-T266 VanDerWaalsContact C-N 3.3Å; L264-T266 PolarHBondContact O-N 2.93Å; L264-F267 PolarHBondContact O-N 3.29Å; L264-C268 WeakPolarHBondContact O-CB 3.38Å; L264-C268 PolarHBondContact O-N 2.75Å; L264-C268 PolarHBondContact O-SG 2.84Å; L264-C268 VanDerWaalsContact O-SG 3.34Å |
| 265 | E | 93.9 | Very high | 91.2 | Very high | 67 Ų | 67 | 52.9 Ų | 52.9 | 31% | 0.313 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.8 | -35.3 | 179.5 | -172.6 | 64.7 | -170.5 | 0 | 0 | 111.3 | V153 M157 L261 V263 C268 E269 | V153-E265 HydrophobicContact CG1-CB 4.35Å; M157-E265 HydrophobicContact CE-CB 4.48Å; M157-E265 HydrophobicContact CE-CG 3.6Å; M157-E265 HydrophobicContact SD-CB 3.57Å; M157-E265 VanDerWaalsContact SD-CB 3.57Å; M157-E265 HydrophobicContact SD-CG 3.26Å; M157-E265 WeakPolarHBondContact SD-CG 3.28Å; L261-E265 VanDerWaalsContact O-CB 3.27Å; L261-E265 WeakPolarHBondContact O-CB 3.2Å; L261-E265 PolarHBondContact O-N 3.46Å; V263-E265 PolarHBondContact O-N 2.88Å; E265-C268 CarbonylContact O-C 3.31Å; E265-C268 PolarHBondContact O-N 3.47Å; E265-E269 WeakPolarHBondContact O-CG 3.27Å; E265-E269 PolarHBondContact O-N 3.38Å |
| 266 | T | 93.1 | Very high | 90.5 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 3% | 0.025 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 173.3 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | T161 A184 L187 V262 V263 L264 E269 | T161-T266 HydrophobicContact CG2-CG2 3.79Å; T161-T266 PolarHBondContact OG1-OG1 3.45Å; A184-T266 HydrophobicContact CB-CG2 3.96Å; L187-T266 HydrophobicContact CD2-CG2 4.2Å; V262-T266 VanDerWaalsContact O-CB 3.27Å; V262-T266 WeakPolarHBondContact O-CB 3.35Å; V262-T266 PolarHBondContact O-N 3.35Å; V262-T266 PolarHBondContact O-OG1 2.95Å; V263-T266 WeakPolarHBondContact O-CB 3.31Å; V263-T266 PolarHBondContact O-N 3.16Å; V263-T266 VanDerWaalsContact O-N 3.16Å; L264-T266 VanDerWaalsContact C-N 3.3Å; L264-T266 PolarHBondContact O-N 2.93Å; T266-E269 PolarHBondContact O-N 2.88Å |
| 267 | F | 92.5 | Very high | 89.8 | Confident | 70 Ų | 70 | 58 Ų | 58 | 31% | 0.307 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.8 | -46.8 | 172.7 | -82.3 | -79.7 | 0 | 0 | 0 | 111 | A184 V263 L264 E269 L270 L273 | A184-F267 HydrophobicContact CB-CD1 4.41Å; A184-F267 HydrophobicContact CB-CE1 4.2Å; A184-F267 HydrophobicContact CB-CZ 4.32Å; V263-F267 HydrophobicContact CG1-CD2 3.71Å; V263-F267 HydrophobicContact CG1-CE2 3.6Å; V263-F267 VanDerWaalsContact O-CD2 3.24Å; V263-F267 WeakPolarHBondContact O-CD2 3.47Å; V263-F267 PolarHBondContact O-N 2.79Å; L264-F267 PolarHBondContact O-N 3.29Å; F267-E269 PolarHBondContact O-N 2.58Å; F267-E269 VanDerWaalsContact O-N 3.15Å; F267-L270 HydrophobicContact CD1-CD1 3.79Å; F267-L270 HydrophobicContact CE1-CD1 4.43Å; F267-L270 WeakPolarHBondContact O-CB 3.45Å; F267-L270 VanDerWaalsContact O-CG 3.3Å; F267-L270 WeakPolarHBondContact O-CG 3.39Å; F267-L270 PolarHBondContact O-N 3.31Å; F267-L273 HydrophobicContact CB-CD1 4.14Å; F267-L273 WeakPolarHBondContact O-CD1 3.35Å |
| 268 | C | 88.3 | Confident | 89 | Confident | 37 Ų | 37 | 64.4 Ų | 64.4 | 25% | 0.25 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.4 | -25.9 | 176.5 | -75.2 | 0 | 0 | 0 | 0 | 113.6 | L264 E265 L270 | L264-C268 WeakPolarHBondContact O-CB 3.38Å; L264-C268 PolarHBondContact O-N 2.75Å; L264-C268 PolarHBondContact O-SG 2.84Å; L264-C268 VanDerWaalsContact O-SG 3.34Å; E265-C268 CarbonylContact O-C 3.31Å; E265-C268 PolarHBondContact O-N 3.47Å; C268-L270 VanDerWaalsContact C-N 3.33Å |
| 269 | E | 87.9 | Confident | 88.1 | Confident | 43 Ų | 43 | 67.2 Ų | 67.2 | 20% | 0.201 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -14 | 174.8 | -80.3 | -161.1 | -179.5 | 0 | 0 | 114.5 | M157 R162 E265 T266 F267 K274 | M157-E269 VanDerWaalsContact CE-OE1 3.28Å; M157-E269 WeakPolarHBondContact CE-OE1 3.22Å; R162-E269 IonicContact CZ-OE1 3.06Å; R162-E269 IonicContact NE-OE1 2.6Å; R162-E269 IonicContact NE-OE2 3.47Å; R162-E269 IonicContact NH2-OE1 3.14Å; R162-E269 PolarHBondContact NH2-OE1 3.24Å; E265-E269 WeakPolarHBondContact O-CG 3.27Å; E265-E269 PolarHBondContact O-N 3.38Å; T266-E269 PolarHBondContact O-N 2.88Å; F267-E269 PolarHBondContact O-N 2.58Å; F267-E269 VanDerWaalsContact O-N 3.15Å; E269-K274 WeakPolarHBondContact O-CD 3.24Å; E269-K274 VanDerWaalsContact O-CE 3.27Å; E269-K274 WeakPolarHBondContact O-CE 3.1Å; E269-K274 PolarHBondContact O-NZ 3.45Å |
| 270 | L | 89 | Confident | 87.2 | Confident | 16 Ų | 16 | 68.1 Ų | 68.1 | 8% | 0.084 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -60.8 | 140.1 | 178 | -65.4 | 175.6 | 0 | 0 | 0 | 111.3 | A180 I181 A184 F267 C268 Q272 L273 K274 | A180-L270 HydrophobicContact CB-CD2 3.97Å; I181-L270 HydrophobicContact CG1-CD2 4.15Å; A184-L270 HydrophobicContact CB-CD1 4.23Å; A184-L270 HydrophobicContact CB-CD2 4.2Å; F267-L270 HydrophobicContact CD1-CD1 3.79Å; F267-L270 HydrophobicContact CE1-CD1 4.43Å; F267-L270 WeakPolarHBondContact O-CB 3.45Å; F267-L270 VanDerWaalsContact O-CG 3.3Å; F267-L270 WeakPolarHBondContact O-CG 3.39Å; F267-L270 PolarHBondContact O-N 3.31Å; C268-L270 VanDerWaalsContact C-N 3.33Å; L270-Q272 VanDerWaalsContact C-N 3.27Å; L270-Q272 PolarHBondContact O-N 3.03Å; L270-L273 PolarHBondContact O-N 2.89Å; L270-K274 PolarHBondContact O-N 3.41Å |
| 271 | Q | 81.6 | Confident | 86.1 | Confident | 94 Ų | 94 | 72.4 Ų | 72.4 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61 | -36.7 | -175.6 | -177.1 | 171 | -32.8 | 0 | 0 | 112.7 | K274 Q275 | Q271-K274 PolarHBondContact O-N 2.86Å; Q271-Q275 WeakPolarHBondContact O-CG 3.03Å; Q271-Q275 PolarHBondContact O-N 2.64Å |
| 272 | Q | 81.3 | Confident | 84.7 | Confident | 129 Ų | 129 | 76.6 Ų | 76.6 | 60% | 0.603 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.1 | -47.6 | 177.2 | -68 | 172.1 | -26.2 | 0 | 0 | 111.3 | L270 Q275 L276 | L270-Q272 VanDerWaalsContact C-N 3.27Å; L270-Q272 PolarHBondContact O-N 3.03Å; Q272-Q275 PolarHBondContact O-N 3.42Å; Q272-L276 WeakPolarHBondContact O-CB 3.39Å; Q272-L276 PolarHBondContact O-N 3.06Å |
| 273 | L | 80.6 | Confident | 83 | Confident | 70 Ų | 70 | 85.1 Ų | 85.1 | 37% | 0.366 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.8 | -36.9 | 177.2 | -78.1 | 170.8 | 0 | 0 | 0 | 112 | F267 L270 Q275 L276 R277 | F267-L273 HydrophobicContact CB-CD1 4.14Å; F267-L273 WeakPolarHBondContact O-CD1 3.35Å; L270-L273 PolarHBondContact O-N 2.89Å; L273-Q275 VanDerWaalsContact C-N 3.33Å; L273-Q275 PolarHBondContact O-N 2.99Å; L273-L276 HydrophobicContact CD2-CD2 4.09Å; L273-L276 PolarHBondContact O-N 3.13Å; L273-R277 VanDerWaalsContact O-CB 3.29Å; L273-R277 WeakPolarHBondContact O-CB 3.43Å; L273-R277 PolarHBondContact O-N 3.44Å |
| 274 | K | 84.2 | Confident | 81 | Confident | 76 Ų | 76 | 93.8 Ų | 93.8 | 33% | 0.33 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 171.7 | -76.6 | 174.8 | 170.6 | 150.8 | 0 | 112.4 | E269 L270 Q271 K278 | E269-K274 WeakPolarHBondContact O-CD 3.24Å; E269-K274 VanDerWaalsContact O-CE 3.27Å; E269-K274 WeakPolarHBondContact O-CE 3.1Å; E269-K274 PolarHBondContact O-NZ 3.45Å; L270-K274 PolarHBondContact O-N 3.41Å; Q271-K274 PolarHBondContact O-N 2.86Å; K274-K278 WeakPolarHBondContact O-CB 3.45Å; K274-K278 VanDerWaalsContact O-CG 3.24Å; K274-K278 WeakPolarHBondContact O-CG 3.49Å; K274-K278 PolarHBondContact O-N 2.89Å; K274-K278 VanDerWaalsContact O-N 3.11Å |
| 275 | Q | 80.5 | Confident | 79.1 | Confident | 115 Ų | 115 | 93.8 Ų | 93.8 | 54% | 0.537 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.3 | -45.2 | 176.1 | -76.2 | 175.2 | -9.2 | 0 | 0 | 111.5 | Q271 Q272 L273 R277 K278 M279 | Q271-Q275 WeakPolarHBondContact O-CG 3.03Å; Q271-Q275 PolarHBondContact O-N 2.64Å; Q272-Q275 PolarHBondContact O-N 3.42Å; L273-Q275 VanDerWaalsContact C-N 3.33Å; L273-Q275 PolarHBondContact O-N 2.99Å; Q275-R277 PolarHBondContact O-N 3.29Å; Q275-K278 PolarHBondContact O-N 3.3Å; Q275-M279 PolarHBondContact O-N 3.33Å |
| 276 | L | 82.1 | Confident | 77.2 | Confident | 85 Ų | 85 | 96.8 Ų | 96.8 | 45% | 0.445 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -56.9 | -48.8 | 174.8 | -175.3 | 71.2 | 0 | 0 | 0 | 111 | Q272 L273 K278 M279 F280 | Q272-L276 WeakPolarHBondContact O-CB 3.39Å; Q272-L276 PolarHBondContact O-N 3.06Å; L273-L276 HydrophobicContact CD2-CD2 4.09Å; L273-L276 PolarHBondContact O-N 3.13Å; L276-K278 VanDerWaalsContact C-N 3.34Å; L276-K278 PolarHBondContact O-N 3.01Å; L276-M279 WeakPolarHBondContact O-CB 3.22Å; L276-M279 PolarHBondContact O-N 3.5Å; L276-F280 HydrophobicContact CD1-CE2 4.3Å; L276-F280 HydrophobicContact CG-CE2 4.11Å; L276-F280 VanDerWaalsContact O-CD2 3.31Å; L276-F280 WeakPolarHBondContact O-CD2 3.45Å; L276-F280 WeakPolarHBondContact O-CE2 3.36Å |
| 277 | R | 80.8 | Confident | 75.5 | Confident | 111 Ų | 111 | 101.3 Ų | 101.3 | 42% | 0.419 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.5 | -39.1 | -179.9 | -158.4 | -177.1 | 48.7 | -153 | 0.5 | 112.5 | L273 Q275 M279 F280 Y281 | L273-R277 VanDerWaalsContact O-CB 3.29Å; L273-R277 WeakPolarHBondContact O-CB 3.43Å; L273-R277 PolarHBondContact O-N 3.44Å; Q275-R277 PolarHBondContact O-N 3.29Å; R277-M279 PolarHBondContact O-N 3.19Å; R277-F280 PolarHBondContact O-N 3.03Å; R277-Y281 HydrophobicContact CB-CE2 4.41Å; R277-Y281 HydrophobicContact CG-CD2 4.33Å; R277-Y281 HydrophobicContact CG-CE2 3.48Å; R277-Y281 VanDerWaalsContact CG-CE2 3.48Å; R277-Y281 WeakPolarHBondContact O-CD2 3.44Å |
| 278 | K | 79.9 | Confident | 73.7 | Confident | 156 Ų | 156 | 104.8 Ų | 104.8 | 68% | 0.678 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.2 | -21.9 | 175.4 | -78 | 175.9 | -176.3 | -174.8 | 0 | 113.6 | K274 Q275 L276 F280 | K274-K278 WeakPolarHBondContact O-CB 3.45Å; K274-K278 VanDerWaalsContact O-CG 3.24Å; K274-K278 WeakPolarHBondContact O-CG 3.49Å; K274-K278 PolarHBondContact O-N 2.89Å; K274-K278 VanDerWaalsContact O-N 3.11Å; Q275-K278 PolarHBondContact O-N 3.3Å; L276-K278 VanDerWaalsContact C-N 3.34Å; L276-K278 PolarHBondContact O-N 3.01Å; K278-F280 VanDerWaalsContact C-N 3.29Å; K278-F280 PolarHBondContact O-N 2.95Å |
| 279 | M | 78.7 | Confident | 72.2 | Confident | 75 Ų | 75 | 106.4 Ų | 106.4 | 37% | 0.369 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.4 | -30.9 | 178.4 | -165.7 | -178.6 | -61 | 0 | 0 | 112.5 | Y22 Q275 L276 R277 | Y22-M279 HydrophobicContact CD1-CG 3.97Å; Y22-M279 HydrophobicContact CD1-SD 3.62Å; Y22-M279 HydrophobicContact CD2-CG 3.35Å; Y22-M279 HydrophobicContact CD2-SD 4.09Å; Y22-M279 HydrophobicContact CE1-CG 4.09Å; Y22-M279 HydrophobicContact CE1-SD 3.48Å; Y22-M279 WeakPolarHBondContact CE1-SD 3.22Å; Y22-M279 HydrophobicContact CE2-CG 3.43Å; Y22-M279 VanDerWaalsContact CE2-CG 3.43Å; Y22-M279 HydrophobicContact CE2-SD 3.91Å; Y22-M279 HydrophobicContact CG-CG 3.63Å; Y22-M279 HydrophobicContact CG-SD 3.95Å; Q275-M279 PolarHBondContact O-N 3.33Å; L276-M279 WeakPolarHBondContact O-CB 3.22Å; L276-M279 PolarHBondContact O-N 3.5Å; R277-M279 PolarHBondContact O-N 3.19Å |
| 280 | F | 78.7 | Confident | 70.9 | Confident | 52 Ų | 52 | 111.9 Ų | 111.9 | 23% | 0.228 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -91.3 | -21.3 | -176.6 | -56.9 | -67.2 | 0 | 0 | 0 | 113.7 | S19 Y22 L26 L276 R277 K278 | S19-F280 PolarHBondContact OG-O 2.92Å; Y22-F280 WeakPolarHBondContact O-CE1 3.15Å; L26-F280 HydrophobicContact CB-CD1 4.06Å; L26-F280 HydrophobicContact CB-CE1 3.76Å; L26-F280 HydrophobicContact CB-CZ 4.43Å; L26-F280 HydrophobicContact CD1-CE1 4.36Å; L26-F280 HydrophobicContact CD1-CZ 4.2Å; L26-F280 HydrophobicContact CD2-CD1 3.99Å; L26-F280 HydrophobicContact CD2-CD2 4.42Å; L26-F280 HydrophobicContact CD2-CE1 4.16Å; L26-F280 HydrophobicContact CD2-CG 4.14Å; L26-F280 HydrophobicContact CD2-CZ 4.43Å; L26-F280 HydrophobicContact CG-CE1 4.32Å; L276-F280 HydrophobicContact CD1-CE2 4.3Å; L276-F280 HydrophobicContact CG-CE2 4.11Å; L276-F280 VanDerWaalsContact O-CD2 3.31Å; L276-F280 WeakPolarHBondContact O-CD2 3.45Å; L276-F280 WeakPolarHBondContact O-CE2 3.36Å; R277-F280 PolarHBondContact O-N 3.03Å; K278-F280 VanDerWaalsContact C-N 3.29Å; K278-F280 PolarHBondContact O-N 2.95Å |
| 281 | Y | 72.4 | Confident | 69.7 | Low | 145 Ų | 145 | 116.6 Ų | 116.6 | 57% | 0.569 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -79 | 137.4 | 178.6 | -67.8 | -62.3 | 0 | 0 | 0 | 111.9 | S19 R277 K283 | S19-Y281 PolarHBondContact OG-O 3.12Å; R277-Y281 HydrophobicContact CB-CE2 4.41Å; R277-Y281 HydrophobicContact CG-CD2 4.33Å; R277-Y281 HydrophobicContact CG-CE2 3.48Å; R277-Y281 VanDerWaalsContact CG-CE2 3.48Å; R277-Y281 WeakPolarHBondContact O-CD2 3.44Å; Y281-K283 PolarHBondContact O-N 3.16Å |
| 282 | L | 66.6 | Low | 68.8 | Low | 141 Ų | 141 | 114.7 Ų | 114.7 | 74% | 0.738 | 54% | 0.539 | S | S | * | . | trans | -56.8 | 121.7 | 162.4 | -86.5 | 148.4 | 0 | 0 | 0 | 108.4 | S19 K284 | S19-L282 PolarHBondContact OG-N 3.38Å; L282-K284 PolarHBondContact O-N 3.44Å | ||
| 283 | K | 62 | Low | 67.9 | Low | 185 Ų | 185 | 112.4 Ų | 112.4 | 80% | 0.804 | 53% | 0.53 | S | S | * | . | trans | -61.5 | 103.5 | 171.2 | -171.3 | -177.8 | 179.7 | -167.8 | 0 | 106.8 | Y281 E285 | Y281-K283 PolarHBondContact O-N 3.16Å; K283-E285 PolarHBondContact O-N 3.08Å; K283-E285 VanDerWaalsContact O-N 3.09Å | ||
| 284 | K | 52.8 | Low | 67.1 | Low | 196 Ų | 196 | 113.7 Ų | 113.7 | 85% | 0.852 | 54% | 0.537 | S | S | * | . | trans | -62.1 | 113.8 | 173.1 | -152.9 | 176.1 | -173 | 179.7 | 0 | 106.5 | L282 K286 | L282-K284 PolarHBondContact O-N 3.44Å; K284-K286 PolarHBondContact O-N 2.82Å | ||
| 285 | E | 53.7 | Low | 66.4 | Low | 103 Ų | 103 | 116.3 Ų | 116.3 | 48% | 0.481 | 55% | 0.55 | S | S | . | * | trans | -53.9 | 131.2 | 173.1 | -78.7 | 179.6 | 151.6 | 0 | 0 | 108.7 | K283 R290 | K283-E285 PolarHBondContact O-N 3.08Å; K283-E285 VanDerWaalsContact O-N 3.09Å; E285-R290 HydrophobicContact CB-CG 4.42Å; E285-R290 IonicContact OE2-NE 3.31Å; E285-R290 PolarHBondContact OE2-NE 3.21Å | ||
| 286 | K | 54.5 | Low | 65.6 | Low | 130 Ų | 130 | 117.1 Ų | 117.1 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | trans | -67.4 | 146.6 | 172.9 | -70.7 | -179.3 | 176.9 | -179.2 | 0 | 108.2 | K284 Q288 D289 R290 | K284-K286 PolarHBondContact O-N 2.82Å; K286-Q288 PolarHBondContact O-N 3.2Å; K286-Q288 VanDerWaalsContact O-N 3.14Å; K286-D289 PolarHBondContact N-OD2 2.79Å; K286-D289 WeakPolarHBondContact O-CB 3.33Å; K286-D289 PolarHBondContact O-N 3.37Å; K286-R290 PolarHBondContact O-N 3.18Å | ||
| 287 | P | 57 | Low | 64.6 | Low | 99 Ų | 99 | 116.9 Ų | 116.9 | 64% | 0.643 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -57.7 | -28.1 | 175.5 | 20.6 | -30.4 | 0 | 0 | 0 | 112.8 | R290 L291 | P287-R290 PolarHBondContact O-N 2.8Å; P287-L291 PolarHBondContact O-N 3.41Å |
| 288 | Q | 55.5 | Low | 63.6 | Low | 143 Ų | 143 | 117.8 Ų | 117.8 | 67% | 0.668 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66 | -36.4 | 171.8 | -81.7 | 158.2 | -24.3 | 0 | 0 | 113.4 | K286 R290 L291 A292 | K286-Q288 PolarHBondContact O-N 3.2Å; K286-Q288 VanDerWaalsContact O-N 3.14Å; Q288-R290 VanDerWaalsContact C-N 3.34Å; Q288-L291 PolarHBondContact O-N 2.87Å; Q288-A292 WeakPolarHBondContact O-CB 3.06Å; Q288-A292 PolarHBondContact O-N 2.82Å |
| 289 | D | 56.8 | Low | 62.6 | Low | 71 Ų | 71 | 115.2 Ų | 115.2 | 38% | 0.38 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.8 | -36.3 | 176.1 | -59.3 | -27.8 | 0 | 0 | 0 | 109.9 | K286 A292 I293 | K286-D289 PolarHBondContact N-OD2 2.79Å; K286-D289 WeakPolarHBondContact O-CB 3.33Å; K286-D289 PolarHBondContact O-N 3.37Å; D289-A292 PolarHBondContact O-N 3.35Å; D289-I293 VanDerWaalsContact O-CD1 3.3Å; D289-I293 WeakPolarHBondContact O-CD1 3.4Å; D289-I293 WeakPolarHBondContact O-CG1 3.23Å; D289-I293 PolarHBondContact O-N 3.35Å |
| 290 | R | 60 | Low | 61.4 | Low | 157 Ų | 157 | 113.7 Ų | 113.7 | 59% | 0.592 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.4 | -40.3 | 172.7 | -79.7 | -169 | 170.8 | -154 | -2 | 113.6 | E285 K286 P287 Q288 I293 L294 | E285-R290 HydrophobicContact CB-CG 4.42Å; E285-R290 IonicContact OE2-NE 3.31Å; E285-R290 PolarHBondContact OE2-NE 3.21Å; K286-R290 PolarHBondContact O-N 3.18Å; P287-R290 PolarHBondContact O-N 2.8Å; Q288-R290 VanDerWaalsContact C-N 3.34Å; R290-I293 PolarHBondContact O-N 2.93Å; R290-L294 WeakPolarHBondContact O-CB 3.48Å; R290-L294 PolarHBondContact O-N 3.1Å |
| 291 | L | 64 | Low | 60.3 | Low | 115 Ų | 115 | 118.6 Ų | 118.6 | 60% | 0.602 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.7 | -42.5 | 175.7 | -87.3 | 154.7 | 0 | 0 | 0 | 111.2 | P287 Q288 I293 L294 E295 | P287-L291 PolarHBondContact O-N 3.41Å; Q288-L291 PolarHBondContact O-N 2.87Å; L291-I293 VanDerWaalsContact C-N 3.34Å; L291-I293 PolarHBondContact O-N 3.34Å; L291-L294 PolarHBondContact O-N 3.24Å; L291-E295 WeakPolarHBondContact O-CB 3.46Å; L291-E295 PolarHBondContact O-N 3.3Å |
| 292 | A | 62.3 | Low | 59.4 | Low | 55 Ų | 55 | 115.4 Ų | 115.4 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.5 | -36.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q288 D289 H296 | Q288-A292 WeakPolarHBondContact O-CB 3.06Å; Q288-A292 PolarHBondContact O-N 2.82Å; D289-A292 PolarHBondContact O-N 3.35Å; A292-H296 VanDerWaalsContact O-CB 3.24Å; A292-H296 WeakPolarHBondContact O-CB 3.32Å; A292-H296 PolarHBondContact O-N 3.26Å |
| 293 | I | 61.8 | Low | 58.7 | Low | 80 Ų | 80 | 113 Ų | 113 | 41% | 0.41 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.3 | -45.6 | 174.2 | -67.4 | 161 | 0 | 0 | 0 | 110.7 | D289 R290 L291 H296 D297 | D289-I293 VanDerWaalsContact O-CD1 3.3Å; D289-I293 WeakPolarHBondContact O-CD1 3.4Å; D289-I293 WeakPolarHBondContact O-CG1 3.23Å; D289-I293 PolarHBondContact O-N 3.35Å; R290-I293 PolarHBondContact O-N 2.93Å; L291-I293 VanDerWaalsContact C-N 3.34Å; L291-I293 PolarHBondContact O-N 3.34Å; I293-H296 PolarHBondContact O-N 3.39Å; I293-D297 WeakPolarHBondContact O-CB 3.46Å; I293-D297 PolarHBondContact O-N 3.02Å |
| 294 | L | 65.3 | Low | 58.2 | Low | 98 Ų | 98 | 108.8 Ų | 108.8 | 51% | 0.513 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 176.3 | -90.7 | 156.1 | 0 | 0 | 0 | 112.6 | R290 L291 D297 H298 | R290-L294 WeakPolarHBondContact O-CB 3.48Å; R290-L294 PolarHBondContact O-N 3.1Å; L291-L294 PolarHBondContact O-N 3.24Å; L294-D297 PolarHBondContact O-N 3Å; L294-H298 WeakPolarHBondContact O-CB 3.44Å; L294-H298 PolarHBondContact O-CD2 3.09Å; L294-H298 VanDerWaalsContact O-CD2 3.26Å; L294-H298 PolarHBondContact O-N 3.03Å |
| 295 | E | 68 | Low | 58 | Low | 130 Ų | 130 | 103.3 Ų | 103.3 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.9 | -41.2 | 178.6 | -171 | 174.2 | -170.8 | 0 | 0 | 111.5 | L291 H298 L299 | L291-E295 WeakPolarHBondContact O-CB 3.46Å; L291-E295 PolarHBondContact O-N 3.3Å; E295-H298 PolarHBondContact O-N 3.26Å; E295-L299 HydrophobicContact CG-CD1 4.22Å; E295-L299 WeakPolarHBondContact O-CB 3.32Å; E295-L299 WeakPolarHBondContact O-CD1 3.24Å; E295-L299 WeakPolarHBondContact O-CG 3.17Å; E295-L299 PolarHBondContact O-N 3.32Å |
| 296 | H | 64.3 | Low | 57.5 | Low | 133 Ų | 133 | 105.3 Ų | 105.3 | 62% | 0.616 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.6 | -39 | 174.8 | -167.1 | -65.9 | 0 | 0 | 0 | 112 | A292 I293 L299 S300 | A292-H296 VanDerWaalsContact O-CB 3.24Å; A292-H296 WeakPolarHBondContact O-CB 3.32Å; A292-H296 PolarHBondContact O-N 3.26Å; I293-H296 PolarHBondContact O-N 3.39Å; H296-L299 PolarHBondContact O-N 3.44Å; H296-S300 WeakPolarHBondContact O-CB 3.43Å; H296-S300 PolarHBondContact O-N 2.8Å; H296-S300 PolarHBondContact O-OG 3.49Å |
| 297 | D | 62.5 | Low | 57 | Low | 80 Ų | 80 | 106.3 Ų | 106.3 | 43% | 0.428 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.8 | -43.5 | 175 | -76.5 | -12.7 | 0 | 0 | 0 | 111 | I293 L294 L299 S300 F301 | I293-D297 WeakPolarHBondContact O-CB 3.46Å; I293-D297 PolarHBondContact O-N 3.02Å; L294-D297 PolarHBondContact O-N 3Å; D297-L299 PolarHBondContact O-N 3.25Å; D297-S300 WeakPolarHBondContact CA-OG 3.34Å; D297-S300 PolarHBondContact O-N 3.22Å; D297-S300 PolarHBondContact O-OG 2.97Å; D297-F301 WeakPolarHBondContact O-CD2 3.47Å; D297-F301 PolarHBondContact O-N 3.32Å |
| 298 | H | 58.5 | Low | 56.3 | Low | 129 Ų | 129 | 107.5 Ų | 107.5 | 60% | 0.597 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59 | -43.6 | 174 | -93 | -80.6 | 0 | 0 | 0 | 112.8 | L294 E295 S300 F301 T302 | L294-H298 WeakPolarHBondContact O-CB 3.44Å; L294-H298 PolarHBondContact O-CD2 3.09Å; L294-H298 VanDerWaalsContact O-CD2 3.26Å; L294-H298 PolarHBondContact O-N 3.03Å; E295-H298 PolarHBondContact O-N 3.26Å; H298-S300 VanDerWaalsContact C-N 3.32Å; H298-S300 PolarHBondContact O-N 3.15Å; H298-F301 PolarHBondContact O-N 2.73Å; H298-T302 WeakPolarHBondContact O-CG2 3.42Å; H298-T302 PolarHBondContact O-N 3.43Å; H298-T302 PolarHBondContact O-OG1 3.41Å |
| 299 | L | 60 | Low | 55.4 | Low | 102 Ų | 102 | 103.8 Ų | 103.8 | 53% | 0.534 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.5 | -32.9 | 176.4 | -79.2 | 159.8 | 0 | 0 | 0 | 112.6 | E295 H296 D297 T302 T303 | E295-L299 HydrophobicContact CG-CD1 4.22Å; E295-L299 WeakPolarHBondContact O-CB 3.32Å; E295-L299 WeakPolarHBondContact O-CD1 3.24Å; E295-L299 WeakPolarHBondContact O-CG 3.17Å; E295-L299 PolarHBondContact O-N 3.32Å; H296-L299 PolarHBondContact O-N 3.44Å; D297-L299 PolarHBondContact O-N 3.25Å; L299-T302 WeakPolarHBondContact CA-OG1 3.37Å; L299-T302 PolarHBondContact O-OG1 2.89Å; L299-T302 VanDerWaalsContact O-OG1 3.05Å; L299-T303 WeakPolarHBondContact O-CG2 3.48Å; L299-T303 PolarHBondContact O-N 3.46Å; L299-T303 PolarHBondContact O-OG1 3.33Å |
| 300 | S | 53.3 | Low | 54.2 | Low | 44 Ų | 44 | 104 Ų | 104 | 31% | 0.308 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -72.7 | -33.1 | 174.8 | 69.4 | 0 | 0 | 0 | 0 | 112.8 | H296 D297 H298 T303 V304 | H296-S300 WeakPolarHBondContact O-CB 3.43Å; H296-S300 PolarHBondContact O-N 2.8Å; H296-S300 PolarHBondContact O-OG 3.49Å; D297-S300 WeakPolarHBondContact CA-OG 3.34Å; D297-S300 PolarHBondContact O-N 3.22Å; D297-S300 PolarHBondContact O-OG 2.97Å; H298-S300 VanDerWaalsContact C-N 3.32Å; H298-S300 PolarHBondContact O-N 3.15Å; S300-T303 WeakPolarHBondContact CA-OG1 3.42Å; S300-T303 PolarHBondContact O-OG1 3.04Å; S300-V304 WeakPolarHBondContact O-CG2 3.35Å; S300-V304 PolarHBondContact O-N 2.93Å |
| 301 | F | 54.6 | Low | 53 | Low | 154 Ų | 154 | 105.8 Ų | 105.8 | 68% | 0.675 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.9 | -36.1 | 173.9 | -90.4 | -77.9 | 0 | 0 | 0 | 113.2 | D297 H298 S305 | D297-F301 WeakPolarHBondContact O-CD2 3.47Å; D297-F301 PolarHBondContact O-N 3.32Å; H298-F301 PolarHBondContact O-N 2.73Å; F301-S305 PolarHBondContact O-N 3.43Å; F301-S305 VanDerWaalsContact O-N 3.12Å |
| 302 | T | 54.8 | Low | 51.3 | Low | 78 Ų | 78 | 108.2 Ų | 108.2 | 48% | 0.479 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.4 | -39.4 | 177 | 50.1 | 0 | 0 | 0 | 0 | 112.1 | H298 L299 V304 S305 D306 | H298-T302 WeakPolarHBondContact O-CG2 3.42Å; H298-T302 PolarHBondContact O-N 3.43Å; H298-T302 PolarHBondContact O-OG1 3.41Å; L299-T302 WeakPolarHBondContact CA-OG1 3.37Å; L299-T302 PolarHBondContact O-OG1 2.89Å; L299-T302 VanDerWaalsContact O-OG1 3.05Å; T302-V304 VanDerWaalsContact C-N 3.33Å; T302-V304 PolarHBondContact O-N 3.08Å; T302-S305 PolarHBondContact O-N 3.44Å; T302-D306 PolarHBondContact O-N 3.17Å |
| 303 | T | 51.7 | Low | 50.2 | Low | 90 Ų | 90 | 114.9 Ų | 114.9 | 55% | 0.552 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.2 | -26.6 | 176.3 | 46.7 | 0 | 0 | 0 | 0 | 113.6 | L299 S300 | L299-T303 WeakPolarHBondContact O-CG2 3.48Å; L299-T303 PolarHBondContact O-N 3.46Å; L299-T303 PolarHBondContact O-OG1 3.33Å; S300-T303 WeakPolarHBondContact CA-OG1 3.42Å; S300-T303 PolarHBondContact O-OG1 3.04Å |
| 304 | V | 50.8 | Low | 48.7 | Very low | 97 Ų | 97 | 115.9 Ų | 115.9 | 59% | 0.588 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -76.7 | -38.6 | 173 | 171.1 | 0 | 0 | 0 | 0 | 111.8 | S300 T302 D306 N307 | S300-V304 WeakPolarHBondContact O-CG2 3.35Å; S300-V304 PolarHBondContact O-N 2.93Å; T302-V304 VanDerWaalsContact C-N 3.33Å; T302-V304 PolarHBondContact O-N 3.08Å; V304-D306 PolarHBondContact O-N 2.92Å; V304-N307 PolarHBondContact O-N 3.49Å |
| 305 | S | 48.1 | Very low | 47.2 | Very low | 81 Ų | 81 | 121.2 Ų | 121.2 | 57% | 0.566 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -65.2 | -35 | 176.2 | -87.6 | 0 | 0 | 0 | 0 | 113.4 | F301 T302 N307 T308 | F301-S305 PolarHBondContact O-N 3.43Å; F301-S305 VanDerWaalsContact O-N 3.12Å; T302-S305 PolarHBondContact O-N 3.44Å; S305-N307 PolarHBondContact O-N 2.98Å; S305-T308 PolarHBondContact O-N 3.48Å |
| 306 | D | 44.7 | Very low | 45.4 | Very low | 145 Ų | 145 | 119.9 Ų | 119.9 | 78% | 0.775 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -17.4 | 178.8 | -89 | -14.5 | 0 | 0 | 0 | 113.7 | T302 V304 | T302-D306 PolarHBondContact O-N 3.17Å; V304-D306 PolarHBondContact O-N 2.92Å |
| 307 | N | 42.6 | Very low | 43.9 | Very low | 152 Ų | 152 | 123.1 Ų | 123.1 | 81% | 0.813 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 2 | 179.1 | -115.3 | 9.5 | 0 | 0 | 0 | 114.4 | V304 S305 | V304-N307 PolarHBondContact O-N 3.49Å; S305-N307 PolarHBondContact O-N 2.98Å |
| 308 | T | 43.3 | Very low | 42.2 | Very low | 123 Ų | 123 | 126 Ų | 126 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -120.8 | 8.5 | 177.6 | 46.9 | 0 | 0 | 0 | 0 | 115.2 | S305 | S305-T308 PolarHBondContact O-N 3.48Š|
| 309 | G | 36 | Very low | 40.9 | Very low | 65 Ų | 65 | 128.3 Ų | 128.3 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | trans | -119.9 | 46 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116 | K311 | G309-K311 PolarHBondContact O-N 2.88Š| ||
| 310 | G | 32.6 | Very low | 39.5 | Very low | 76 Ų | 76 | 130.1 Ų | 130.1 | 78% | 0.784 | 74% | 0.741 | S | S | * | * | trans | -79.2 | 109.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 311 | K | 33.7 | Very low | 38.3 | Very low | 195 Ų | 195 | 132.1 Ų | 132.1 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | trans | 78.7 | 108.1 | 158.6 | -64.5 | 179 | 173.6 | 177.5 | 0 | 119.1 | G309 | G309-K311 PolarHBondContact O-N 2.88Š| ||
| 312 | N | 29.7 | Very low | 37.4 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | -171.7 | 138.5 | 112.1 | -90.2 | -19.3 | 0 | 0 | 0 | 111.9 | |||||
| 313 | E | 37.8 | Very low | 36.3 | Very low | 195 Ų | 195 | 132.5 Ų | 132.5 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | trans | -66.3 | 146.5 | 178.4 | -70.2 | 176.2 | 121.2 | 0 | 0 | 113.6 | ||||
| 314 | A | 29.8 | Very low | 35.4 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | 170.1 | 138.5 | 119.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 315 | K | 35.6 | Very low | 34.4 | Very low | 210 Ų | 210 | 137.2 Ų | 137.2 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | trans | -28.6 | 135 | 166.5 | -85.3 | 167.5 | 166.3 | 169.4 | 0 | 116.6 | ||||
| 316 | A | 28.9 | Very low | 33.6 | Very low | 102 Ų | 102 | 139 Ų | 139 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | -166.2 | 133.2 | 127.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 317 | K | 32.9 | Very low | 33.3 | Very low | 202 Ų | 202 | 136.9 Ų | 136.9 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -65.6 | 141.4 | 170 | -68.1 | 166 | 169.2 | 176.4 | 0 | 110.7 | ||||
| 318 | T | 27.1 | Very low | 33 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | -175.6 | 128.4 | 118.6 | -0.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 319 | F | 30.5 | Very low | 32.7 | Very low | 179 Ų | 179 | 136.4 Ų | 136.4 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -1.9 | 139.3 | 150.4 | -101.7 | -109.3 | 0 | 0 | 0 | 119.8 | ||||
| 320 | V | 31 | Very low | 32.5 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | -155.8 | 134.6 | 99.1 | 170.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 321 | S | 28.8 | Very low | 32.9 | Very low | 85 Ų | 85 | 144.5 Ų | 144.5 | 59% | 0.594 | 81% | 0.807 | S | S | * | * | trans | -74 | 151.5 | 179.8 | 45.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 322 | V | 35.3 | Very low | 33.6 | Very low | 121 Ų | 121 | 141 Ų | 141 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | trans | -49.4 | 140.1 | 165.8 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 323 | P | 31.8 | Very low | 33.9 | Very low | 119 Ų | 119 | 141 Ų | 141 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -92 | 106.3 | 153.9 | 10.7 | 7.9 | 0 | 0 | 0 | 109.6 | ||||
| 324 | T | 33.3 | Very low | 34 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | trans | -79.9 | 123.7 | 153.9 | -40.2 | 0 | 0 | 0 | 0 | 106.6 | V326 | T324-V326 HydrophobicContact CG2-CG2 4.29Š| ||
| 325 | L | 29.3 | Very low | 34.2 | Very low | 170 Ų | 170 | 147 Ų | 147 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | -122.3 | 113.8 | 163.7 | -96.7 | 162 | 0 | 0 | 0 | 108.6 | ||||
| 326 | V | 31.3 | Very low | 34.2 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | trans | -107.4 | 125.7 | 169.6 | 169.3 | 0 | 0 | 0 | 0 | 107.6 | T324 | T324-V326 HydrophobicContact CG2-CG2 4.29Š| ||
| 327 | S | 37.3 | Very low | 34.4 | Very low | 100 Ų | 100 | 146 Ų | 146 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | trans | 53.4 | 154.6 | 147.1 | -131.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 328 | P | 36.9 | Very low | 34.5 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | -145.4 | 151.2 | 73.4 | 33.5 | -12.2 | 0 | 0 | 0 | 116.9 | |||||
| 329 | N | 37.7 | Very low | 35 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | trans | -64.6 | 140.8 | 148.6 | -97.7 | -3.1 | 0 | 0 | 0 | 108.9 | ||||
| 330 | D | 32.4 | Very low | 35.2 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | -170.4 | 139.5 | 122.4 | -90.2 | -19.8 | 0 | 0 | 0 | 112.4 | |||||
| 331 | D | 41 | Very low | 35.5 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | -57 | 170.1 | -178.7 | -117.7 | -33.5 | 0 | 0 | 0 | 115.1 | ||||
| 332 | P | 46.3 | Very low | 36 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | -152.4 | 159.7 | 61.5 | 37 | -13.8 | 0 | 0 | 0 | 119.4 | |||||
| 333 | M | 37.6 | Very low | 36.1 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 82% | 0.823 | 82% | 0.82 | S | S | * | * | trans | -17 | 134.7 | 150.7 | -67 | -119.5 | -70.9 | 0 | 0 | 117.2 | ||||
| 334 | I | 38.3 | Very low | 36.4 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 80% | 0.795 | 82% | 0.824 | S | S | * | * | trans | -161.9 | 125.5 | 131 | -68.1 | -153.1 | 0 | 0 | 0 | 110 | ||||
| 335 | Q | 35.4 | Very low | 36.7 | Very low | 265 Ų | 265 | 152.1 Ų | 152.1 | 100% | 1.238 | 83% | 0.834 | S | S | * | * | trans | 68.7 | 0 | 159.8 | -75.6 | 177.4 | -7.8 | 0 | 0 | 121.7 |
Retrieved 335 of 335 residues in 58.3 ms
(Link to these results)