| 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 | T | 39.7 | Very low | 47 | Very low | 190 Ų | 190 | 141.2 Ų | 141.2 | 100% | 1.166 | 84% | 0.837 | S | S | * | * | 0 | 99.7 | 0 | -48.1 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 2 | T | 39.7 | Very low | 48.5 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | trans | -72.2 | 125.7 | 175.3 | 16 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3 | M | 42.1 | Very low | 50.4 | Low | 182 Ų | 182 | 138 Ų | 138 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -108.6 | 119.9 | 165.6 | -72.3 | -167.7 | 93.5 | 0 | 0 | 108.3 | ||||
| 4 | D | 43.2 | Very low | 52.4 | Low | 163 Ų | 163 | 137.7 Ų | 137.7 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | -79.2 | 117.8 | -174.5 | -160.9 | 15.9 | 0 | 0 | 0 | 109 | G6 | D4-G6 PolarHBondContact O-N 3.35Š| ||
| 5 | T | 48.1 | Very low | 54.4 | Low | 135 Ų | 135 | 133.5 Ų | 133.5 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | trans | -82.2 | 98.7 | 178.1 | 1.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 6 | G | 47 | Very low | 56.1 | Low | 73 Ų | 73 | 132.1 Ų | 132.1 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | trans | -55.5 | 132.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | D4 N8 | D4-G6 PolarHBondContact O-N 3.35Å; G6-N8 PolarHBondContact O-N 3.15Å | ||
| 7 | V | 49.5 | Very low | 57.8 | Low | 128 Ų | 128 | 128.5 Ų | 128.5 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | -72.3 | 122.1 | 178.4 | -166.5 | 0 | 0 | 0 | 0 | 109.1 | T9 | V7-T9 PolarHBondContact O-N 3.19Å; V7-T9 VanDerWaalsContact O-N 3.09Å; V7-T9 PolarHBondContact O-OG1 3.48Å | ||
| 8 | N | 45.1 | Very low | 59.3 | Low | 152 Ų | 152 | 124 Ų | 124 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | trans | -58.4 | 108.1 | 174.4 | -173.7 | 17.7 | 0 | 0 | 0 | 110.1 | G6 | G6-N8 PolarHBondContact O-N 3.15Š| ||
| 9 | T | 52.8 | Low | 60.7 | Low | 120 Ų | 120 | 119.4 Ų | 119.4 | 74% | 0.736 | 69% | 0.686 | S | S | * | * | trans | -110.9 | 96 | 176.3 | 26.8 | 0 | 0 | 0 | 0 | 107.7 | V7 | V7-T9 PolarHBondContact O-N 3.19Å; V7-T9 VanDerWaalsContact O-N 3.09Å; V7-T9 PolarHBondContact O-OG1 3.48Å | ||
| 10 | E | 51.2 | Low | 62.1 | Low | 132 Ų | 132 | 118.6 Ų | 118.6 | 62% | 0.617 | 68% | 0.683 | S | S | * | * | trans | -65.2 | 127.9 | 175.3 | -137 | -168.6 | -166.6 | 0 | 0 | 109.5 | D12 | E10-D12 VanDerWaalsContact C-N 3.33Å; E10-D12 PolarHBondContact O-N 3.09Å | ||
| 11 | P | 58.4 | Low | 63.5 | Low | 132 Ų | 132 | 120.5 Ų | 120.5 | 86% | 0.857 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 8.1 | -167.1 | -17 | 32 | 0 | 0 | 0 | 117.7 | ||
| 12 | D | 66 | Low | 65.9 | Low | 86 Ų | 86 | 117.4 Ų | 117.4 | 46% | 0.46 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -129.4 | 11.1 | -167.4 | -163.9 | 38.2 | 0 | 0 | 0 | 114.9 | E10 E14 S15 Q16 | E10-D12 VanDerWaalsContact C-N 3.33Å; E10-D12 PolarHBondContact O-N 3.09Å; D12-E14 VanDerWaalsContact C-N 3.31Å; D12-E14 PolarHBondContact O-N 3.49Å; D12-S15 PolarHBondContact O-N 3.33Å; D12-S15 WeakPolarHBondContact OD1-CB 3.17Å; D12-Q16 PolarHBondContact O-N 3.24Å; D12-Q16 VanDerWaalsContact O-N 3.15Å |
| 13 | W | 73.1 | Confident | 68.4 | Low | 155 Ų | 155 | 117.4 Ų | 117.4 | 59% | 0.587 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.1 | -32.6 | -177.8 | 68.2 | -91.2 | 0 | 0 | 0 | 112.7 | Q16 V17 | W13-Q16 PolarHBondContact O-N 2.9Å; W13-V17 HydrophobicContact CE3-CG2 4.32Å; W13-V17 WeakPolarHBondContact O-CB 3.02Å; W13-V17 WeakPolarHBondContact O-CG2 3.38Å; W13-V17 PolarHBondContact O-N 3.37Å |
| 14 | E | 78.2 | Confident | 70.8 | Confident | 134 Ų | 134 | 110.6 Ų | 110.6 | 63% | 0.626 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.1 | -41.1 | 177.9 | -68.7 | -174.1 | 173.6 | 0 | 0 | 112 | D12 V17 A18 | D12-E14 VanDerWaalsContact C-N 3.31Å; D12-E14 PolarHBondContact O-N 3.49Å; E14-V17 PolarHBondContact O-N 3.35Å; E14-A18 WeakPolarHBondContact O-CB 3.37Å; E14-A18 PolarHBondContact O-N 2.9Å |
| 15 | S | 81.7 | Confident | 73.2 | Confident | 74 Ų | 74 | 106.5 Ų | 106.5 | 52% | 0.517 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.5 | -40 | 178.8 | -138.4 | 0 | 0 | 0 | 0 | 111.1 | D12 A18 A19 | D12-S15 PolarHBondContact O-N 3.33Å; D12-S15 WeakPolarHBondContact OD1-CB 3.17Å; S15-A18 PolarHBondContact O-N 2.86Å; S15-A19 WeakPolarHBondContact O-CB 3.25Å; S15-A19 PolarHBondContact O-N 2.91Å |
| 16 | Q | 82.6 | Confident | 75.5 | Confident | 112 Ų | 112 | 104.3 Ų | 104.3 | 52% | 0.523 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.5 | -42.9 | 172.3 | -77.9 | -179 | 13.6 | 0 | 0 | 112.4 | D12 W13 A19 V20 | D12-Q16 PolarHBondContact O-N 3.24Å; D12-Q16 VanDerWaalsContact O-N 3.15Å; W13-Q16 PolarHBondContact O-N 2.9Å; Q16-A19 PolarHBondContact O-N 3.31Å; Q16-V20 VanDerWaalsContact O-CG2 3.25Å; Q16-V20 WeakPolarHBondContact O-CG2 3.5Å; Q16-V20 PolarHBondContact O-N 3.48Å |
| 17 | V | 84.4 | Confident | 77.8 | Confident | 70 Ų | 70 | 106.7 Ų | 106.7 | 42% | 0.424 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.8 | -42.1 | 176.8 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | W13 E14 V20 F21 | W13-V17 HydrophobicContact CE3-CG2 4.32Å; W13-V17 WeakPolarHBondContact O-CB 3.02Å; W13-V17 WeakPolarHBondContact O-CG2 3.38Å; W13-V17 PolarHBondContact O-N 3.37Å; E14-V17 PolarHBondContact O-N 3.35Å; V17-V20 PolarHBondContact O-N 2.96Å; V17-F21 HydrophobicContact CG1-CD2 4.08Å; V17-F21 HydrophobicContact CG1-CE2 4.31Å; V17-F21 PolarHBondContact O-N 3.4Å |
| 18 | A | 84.1 | Confident | 79.9 | Confident | 48 Ų | 48 | 106.9 Ų | 106.9 | 40% | 0.397 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.1 | -42.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E14 S15 F21 Q22 | E14-A18 WeakPolarHBondContact O-CB 3.37Å; E14-A18 PolarHBondContact O-N 2.9Å; S15-A18 PolarHBondContact O-N 2.86Å; A18-F21 PolarHBondContact O-N 3.42Å; A18-Q22 WeakPolarHBondContact O-CG 3.39Å; A18-Q22 PolarHBondContact O-N 2.97Å |
| 19 | A | 86.3 | Confident | 82.3 | Confident | 36 Ų | 36 | 105.1 Ų | 105.1 | 30% | 0.298 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.3 | -44.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S15 Q16 F21 Q22 F23 | S15-A19 WeakPolarHBondContact O-CB 3.25Å; S15-A19 PolarHBondContact O-N 2.91Å; Q16-A19 PolarHBondContact O-N 3.31Å; A19-F21 VanDerWaalsContact C-N 3.32Å; A19-F21 PolarHBondContact O-N 3.43Å; A19-Q22 PolarHBondContact O-N 3.31Å; A19-F23 WeakPolarHBondContact O-CB 3.22Å; A19-F23 WeakPolarHBondContact O-CD2 3.36Å; A19-F23 PolarHBondContact O-N 2.95Å |
| 20 | V | 88.7 | Confident | 84.4 | Confident | 103 Ų | 103 | 107.9 Ų | 107.9 | 62% | 0.624 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.4 | -41.1 | 175.9 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | Q16 V17 F23 G24 | Q16-V20 VanDerWaalsContact O-CG2 3.25Å; Q16-V20 WeakPolarHBondContact O-CG2 3.5Å; Q16-V20 PolarHBondContact O-N 3.48Å; V17-V20 PolarHBondContact O-N 2.96Å; V20-F23 PolarHBondContact O-N 3.33Å; V20-G24 PolarHBondContact O-N 2.87Å |
| 21 | F | 90.9 | Very high | 86.5 | Confident | 159 Ų | 159 | 108.6 Ų | 108.6 | 70% | 0.697 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.9 | -43.2 | 174.5 | -100.8 | -83.8 | 0 | 0 | 0 | 112.6 | V17 A18 A19 G24 S25 | V17-F21 HydrophobicContact CG1-CD2 4.08Å; V17-F21 HydrophobicContact CG1-CE2 4.31Å; V17-F21 PolarHBondContact O-N 3.4Å; A18-F21 PolarHBondContact O-N 3.42Å; A19-F21 VanDerWaalsContact C-N 3.32Å; A19-F21 PolarHBondContact O-N 3.43Å; F21-G24 PolarHBondContact O-N 3.35Å; F21-S25 WeakPolarHBondContact O-CB 3.47Å; F21-S25 PolarHBondContact O-N 3.22Å |
| 22 | Q | 90.3 | Very high | 88.2 | Confident | 125 Ų | 125 | 106.9 Ų | 106.9 | 58% | 0.584 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.5 | -43.7 | 176.8 | -72.4 | 177.8 | 5.5 | 0 | 0 | 111.8 | A18 A19 S25 Q26 | A18-Q22 WeakPolarHBondContact O-CG 3.39Å; A18-Q22 PolarHBondContact O-N 2.97Å; A19-Q22 PolarHBondContact O-N 3.31Å; Q22-S25 PolarHBondContact O-N 2.87Å; Q22-Q26 WeakPolarHBondContact O-CG 3.49Å; Q22-Q26 PolarHBondContact O-N 3.49Å |
| 23 | F | 92.1 | Very high | 89.7 | Confident | 147 Ų | 147 | 107.7 Ų | 107.7 | 65% | 0.645 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.6 | -42.5 | 172.9 | -84.7 | -68.3 | 0 | 0 | 0 | 111.7 | A19 V20 Q26 L27 | A19-F23 WeakPolarHBondContact O-CB 3.22Å; A19-F23 WeakPolarHBondContact O-CD2 3.36Å; A19-F23 PolarHBondContact O-N 2.95Å; V20-F23 PolarHBondContact O-N 3.33Å; F23-Q26 PolarHBondContact O-N 2.96Å; F23-L27 VanDerWaalsContact O-CB 3.3Å; F23-L27 WeakPolarHBondContact O-CB 3.23Å; F23-L27 PolarHBondContact O-N 3.14Å |
| 24 | G | 93.5 | Very high | 90.8 | Very high | 39 Ų | 39 | 105.7 Ų | 105.7 | 40% | 0.402 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | V20 F21 L27 K28 | V20-G24 PolarHBondContact O-N 2.87Å; F21-G24 PolarHBondContact O-N 3.35Å; G24-L27 PolarHBondContact O-N 3.45Å; G24-K28 WeakPolarHBondContact O-CB 3.4Å; G24-K28 PolarHBondContact O-N 2.94Å |
| 25 | S | 94 | Very high | 91.7 | Very high | 77 Ų | 77 | 103.4 Ų | 103.4 | 54% | 0.538 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -47.1 | 175.1 | -168.8 | 0 | 0 | 0 | 0 | 111.8 | F21 Q22 L27 K28 E29 | F21-S25 WeakPolarHBondContact O-CB 3.47Å; F21-S25 PolarHBondContact O-N 3.22Å; Q22-S25 PolarHBondContact O-N 2.87Å; S25-L27 VanDerWaalsContact C-N 3.32Å; S25-L27 PolarHBondContact O-N 3.44Å; S25-K28 PolarHBondContact O-N 2.85Å; S25-E29 PolarHBondContact O-N 3.46Å |
| 26 | Q | 94.9 | Very high | 92.4 | Very high | 89 Ų | 89 | 103.2 Ų | 103.2 | 42% | 0.416 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 176.8 | -73.1 | 178.1 | 33.2 | 0 | 0 | 112.1 | Q22 F23 R30 | Q22-Q26 WeakPolarHBondContact O-CG 3.49Å; Q22-Q26 PolarHBondContact O-N 3.49Å; F23-Q26 PolarHBondContact O-N 2.96Å; Q26-R30 WeakPolarHBondContact O-CB 3.3Å; Q26-R30 VanDerWaalsContact O-CG 3.23Å; Q26-R30 WeakPolarHBondContact O-CG 3.34Å; Q26-R30 PolarHBondContact O-N 3.4Å |
| 27 | L | 95.9 | Very high | 93.1 | Very high | 123 Ų | 123 | 99.5 Ų | 99.5 | 64% | 0.644 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.1 | -41 | 177.6 | -173 | 66 | 0 | 0 | 0 | 111.5 | F23 G24 S25 R30 Y31 | F23-L27 VanDerWaalsContact O-CB 3.3Å; F23-L27 WeakPolarHBondContact O-CB 3.23Å; F23-L27 PolarHBondContact O-N 3.14Å; G24-L27 PolarHBondContact O-N 3.45Å; S25-L27 VanDerWaalsContact C-N 3.32Å; S25-L27 PolarHBondContact O-N 3.44Å; L27-R30 PolarHBondContact O-N 3.46Å; L27-Y31 WeakPolarHBondContact O-CB 3.36Å; L27-Y31 PolarHBondContact O-N 3.33Å |
| 28 | K | 94.7 | Very high | 93.6 | Very high | 131 Ų | 131 | 100.4 Ų | 100.4 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.8 | -48.1 | 174.7 | -176.9 | -178.2 | 174.1 | -172.6 | 0 | 111.2 | G24 S25 R30 Y31 E32 | G24-K28 WeakPolarHBondContact O-CB 3.4Å; G24-K28 PolarHBondContact O-N 2.94Å; S25-K28 PolarHBondContact O-N 2.85Å; K28-R30 PolarHBondContact O-N 2.98Å; K28-Y31 PolarHBondContact O-N 3.45Å; K28-E32 WeakPolarHBondContact CE-OE1 3.38Å; K28-E32 IonicContact NZ-OE1 3.77Å; K28-E32 WeakPolarHBondContact O-CG 3.38Å; K28-E32 PolarHBondContact O-N 2.92Å |
| 29 | E | 95.3 | Very high | 94.3 | Very high | 115 Ų | 115 | 103.7 Ų | 103.7 | 54% | 0.537 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 176.9 | -175.3 | -180 | -167.7 | 0 | 0 | 111.7 | S25 Y31 E32 N33 | S25-E29 PolarHBondContact O-N 3.46Å; E29-Y31 VanDerWaalsContact C-N 3.34Å; E29-Y31 PolarHBondContact O-N 3.37Å; E29-E32 PolarHBondContact O-N 2.95Å; E29-N33 WeakPolarHBondContact O-CB 3.36Å; E29-N33 VanDerWaalsContact O-CG 3.29Å; E29-N33 PolarHBondContact O-N 3.18Å; E29-N33 PolarHBondContact O-ND2 2.95Å; E29-N33 VanDerWaalsContact O-ND2 3.14Å |
| 30 | R | 95.5 | Very high | 94.8 | Very high | 178 Ų | 178 | 107.3 Ų | 107.3 | 67% | 0.672 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.5 | -40.6 | 174 | -75.4 | 175.8 | -175 | -162.2 | 4.1 | 112.3 | Q26 L27 K28 L34 | Q26-R30 WeakPolarHBondContact O-CB 3.3Å; Q26-R30 VanDerWaalsContact O-CG 3.23Å; Q26-R30 WeakPolarHBondContact O-CG 3.34Å; Q26-R30 PolarHBondContact O-N 3.4Å; L27-R30 PolarHBondContact O-N 3.46Å; K28-R30 PolarHBondContact O-N 2.98Å; R30-L34 WeakPolarHBondContact O-CB 3.36Å; R30-L34 PolarHBondContact O-N 3.16Å |
| 31 | Y | 95.1 | Very high | 95.1 | Very high | 148 Ų | 148 | 107.9 Ų | 107.9 | 58% | 0.58 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.4 | -43.8 | 177.5 | -178.5 | -94 | 0 | 0 | 0 | 111.9 | L27 K28 E29 L34 Q35 | L27-Y31 WeakPolarHBondContact O-CB 3.36Å; L27-Y31 PolarHBondContact O-N 3.33Å; K28-Y31 PolarHBondContact O-N 3.45Å; E29-Y31 VanDerWaalsContact C-N 3.34Å; E29-Y31 PolarHBondContact O-N 3.37Å; Y31-L34 PolarHBondContact O-N 3.25Å; Y31-Q35 WeakPolarHBondContact O-CB 3Å; Y31-Q35 PolarHBondContact O-N 2.89Å |
| 32 | E | 95.9 | Very high | 95.5 | Very high | 95 Ų | 95 | 105.4 Ų | 105.4 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.2 | -73.6 | 173.2 | 171.7 | 0 | 0 | 111.6 | K28 E29 Q35 E36 | K28-E32 WeakPolarHBondContact CE-OE1 3.38Å; K28-E32 IonicContact NZ-OE1 3.77Å; K28-E32 WeakPolarHBondContact O-CG 3.38Å; K28-E32 PolarHBondContact O-N 2.92Å; E29-E32 PolarHBondContact O-N 2.95Å; E32-Q35 PolarHBondContact O-N 2.97Å; E32-E36 WeakPolarHBondContact O-CB 3.34Å; E32-E36 PolarHBondContact O-N 3.28Å |
| 33 | N | 96.3 | Very high | 95.8 | Very high | 104 Ų | 104 | 102 Ų | 102 | 56% | 0.556 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63 | -41.1 | 174.6 | -76.5 | -34.3 | 0 | 0 | 0 | 112.4 | E29 E36 G37 | E29-N33 WeakPolarHBondContact O-CB 3.36Å; E29-N33 VanDerWaalsContact O-CG 3.29Å; E29-N33 PolarHBondContact O-N 3.18Å; E29-N33 PolarHBondContact O-ND2 2.95Å; E29-N33 VanDerWaalsContact O-ND2 3.14Å; N33-E36 PolarHBondContact O-N 2.88Å; N33-G37 PolarHBondContact O-N 2.86Å |
| 34 | L | 96.7 | Very high | 96.1 | Very high | 112 Ų | 112 | 100 Ų | 100 | 59% | 0.586 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64 | -43 | 175.3 | -177.2 | 64.7 | 0 | 0 | 0 | 111.2 | R30 Y31 G37 I38 | R30-L34 WeakPolarHBondContact O-CB 3.36Å; R30-L34 PolarHBondContact O-N 3.16Å; Y31-L34 PolarHBondContact O-N 3.25Å; L34-G37 PolarHBondContact O-N 3.34Å; L34-I38 HydrophobicContact CG-CD1 4.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.43Å; L34-I38 PolarHBondContact O-N 2.91Å |
| 35 | Q | 96.4 | Very high | 96.3 | Very high | 86 Ų | 86 | 102.5 Ų | 102.5 | 40% | 0.402 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.6 | -35.7 | 179.1 | -167.8 | 178.4 | -26.3 | 0 | 0 | 112.1 | Y31 E32 R39 | Y31-Q35 WeakPolarHBondContact O-CB 3Å; Y31-Q35 PolarHBondContact O-N 2.89Å; E32-Q35 PolarHBondContact O-N 2.97Å; Q35-R39 WeakPolarHBondContact O-CG 3.37Å; Q35-R39 PolarHBondContact O-N 3.17Å; Q35-R39 VanDerWaalsContact O-N 3.09Å |
| 36 | E | 96.4 | Very high | 96.5 | Very high | 70 Ų | 70 | 105.3 Ų | 105.3 | 33% | 0.327 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 170.1 | -175.8 | 60.7 | -136.7 | 0 | 0 | 111.3 | E32 N33 I38 R39 Q40 | E32-E36 WeakPolarHBondContact O-CB 3.34Å; E32-E36 PolarHBondContact O-N 3.28Å; N33-E36 PolarHBondContact O-N 2.88Å; E36-I38 VanDerWaalsContact C-N 3.34Å; E36-I38 PolarHBondContact O-N 3.41Å; E36-R39 PolarHBondContact O-N 2.87Å; E36-R39 IonicContact OE1-NH1 2.7Å; E36-R39 IonicContact OE2-CZ 3.95Å; E36-R39 IonicContact OE2-NH1 2.97Å; E36-R39 PolarHBondContact OE2-NH1 2.93Å; E36-R39 IonicContact OE2-NH2 3.92Å; E36-R39 PolarHBondContact OE2-NH2 3.09Å; E36-Q40 WeakPolarHBondContact O-CG 3.46Å; E36-Q40 PolarHBondContact O-N 3.3Å; E36-Q40 PolarHBondContact OE1-NE2 2.97Å; E36-Q40 VanDerWaalsContact OE1-NE2 3.16Å |
| 37 | G | 97 | Very high | 96.6 | Very high | 35 Ų | 35 | 107.9 Ų | 107.9 | 36% | 0.361 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.7 | -40.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N33 L34 Q40 H41 | N33-G37 PolarHBondContact O-N 2.86Å; L34-G37 PolarHBondContact O-N 3.34Å; G37-Q40 PolarHBondContact O-N 2.88Å; G37-H41 WeakPolarHBondContact O-CB 3.34Å; G37-H41 PolarHBondContact O-N 3.44Å |
| 38 | I | 96.6 | Very high | 96.7 | Very high | 88 Ų | 88 | 107.3 Ų | 107.3 | 45% | 0.451 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 174.4 | -68.8 | 165.8 | 0 | 0 | 0 | 110.9 | L34 E36 H41 Q42 | L34-I38 HydrophobicContact CG-CD1 4.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.43Å; L34-I38 PolarHBondContact O-N 2.91Å; E36-I38 VanDerWaalsContact C-N 3.34Å; E36-I38 PolarHBondContact O-N 3.41Å; I38-H41 PolarHBondContact O-N 2.72Å; I38-Q42 WeakPolarHBondContact O-CG 3.5Å; I38-Q42 PolarHBondContact O-N 2.91Å |
| 39 | R | 96.9 | Very high | 96.9 | Very high | 118 Ų | 118 | 107.4 Ų | 107.4 | 45% | 0.445 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 177.1 | -79 | -174.8 | -80.6 | 125.6 | -0.7 | 112.1 | Q35 E36 Q42 A43 | Q35-R39 WeakPolarHBondContact O-CG 3.37Å; Q35-R39 PolarHBondContact O-N 3.17Å; Q35-R39 VanDerWaalsContact O-N 3.09Å; E36-R39 PolarHBondContact O-N 2.87Å; E36-R39 IonicContact OE1-NH1 2.7Å; E36-R39 IonicContact OE2-CZ 3.95Å; E36-R39 IonicContact OE2-NH1 2.97Å; E36-R39 PolarHBondContact OE2-NH1 2.93Å; E36-R39 IonicContact OE2-NH2 3.92Å; E36-R39 PolarHBondContact OE2-NH2 3.09Å; R39-Q42 PolarHBondContact O-N 2.68Å; R39-A43 WeakPolarHBondContact O-CB 3.35Å; R39-A43 PolarHBondContact O-N 3.36Å |
| 40 | Q | 96.8 | Very high | 97 | Very high | 111 Ų | 111 | 104.3 Ų | 104.3 | 52% | 0.519 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 176 | -70.6 | 175.6 | 7.9 | 0 | 0 | 111.8 | E36 G37 A43 L44 | E36-Q40 WeakPolarHBondContact O-CG 3.46Å; E36-Q40 PolarHBondContact O-N 3.3Å; E36-Q40 PolarHBondContact OE1-NE2 2.97Å; E36-Q40 VanDerWaalsContact OE1-NE2 3.16Å; G37-Q40 PolarHBondContact O-N 2.88Å; Q40-A43 PolarHBondContact O-N 3.04Å; Q40-L44 WeakPolarHBondContact O-CG 3.49Å; Q40-L44 PolarHBondContact O-N 3.37Å |
| 41 | H | 97 | Very high | 97.1 | Very high | 115 Ų | 115 | 100.4 Ų | 100.4 | 53% | 0.532 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 175.8 | -171.5 | 71.4 | 0 | 0 | 0 | 111.9 | G37 I38 L44 L45 | G37-H41 WeakPolarHBondContact O-CB 3.34Å; G37-H41 PolarHBondContact O-N 3.44Å; I38-H41 PolarHBondContact O-N 2.72Å; H41-L44 PolarHBondContact O-N 3.21Å; H41-L45 WeakPolarHBondContact O-CG 3.36Å; H41-L45 PolarHBondContact O-N 3.38Å |
| 42 | Q | 97.5 | Very high | 97.3 | Very high | 108 Ų | 108 | 101.5 Ų | 101.5 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.2 | -46.9 | 173.8 | -80.6 | 175.2 | -25.3 | 0 | 0 | 112 | I38 R39 L44 L45 E46 | I38-Q42 WeakPolarHBondContact O-CG 3.5Å; I38-Q42 PolarHBondContact O-N 2.91Å; R39-Q42 PolarHBondContact O-N 2.68Å; Q42-L44 VanDerWaalsContact C-N 3.28Å; Q42-L44 PolarHBondContact O-N 2.9Å; Q42-L45 PolarHBondContact O-N 2.9Å; Q42-L45 VanDerWaalsContact O-N 3.14Å; Q42-E46 PolarHBondContact O-N 3.32Å |
| 43 | A | 97.8 | Very high | 97.4 | Very high | 54 Ų | 54 | 100.9 Ų | 100.9 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.2 | -35.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R39 Q40 K47 | R39-A43 WeakPolarHBondContact O-CB 3.35Å; R39-A43 PolarHBondContact O-N 3.36Å; Q40-A43 PolarHBondContact O-N 3.04Å; A43-K47 WeakPolarHBondContact O-CB 3.34Å; A43-K47 PolarHBondContact O-N 2.89Å |
| 44 | L | 97.9 | Very high | 97.5 | Very high | 105 Ų | 105 | 101.7 Ų | 101.7 | 55% | 0.55 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 174.4 | -74.8 | 172.6 | 0 | 0 | 0 | 112.2 | Q40 H41 Q42 K47 L48 | Q40-L44 WeakPolarHBondContact O-CG 3.49Å; Q40-L44 PolarHBondContact O-N 3.37Å; H41-L44 PolarHBondContact O-N 3.21Å; Q42-L44 VanDerWaalsContact C-N 3.28Å; Q42-L44 PolarHBondContact O-N 2.9Å; L44-K47 PolarHBondContact O-N 2.98Å; L44-L48 WeakPolarHBondContact O-CB 3.41Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 2.96Å |
| 45 | L | 97.6 | Very high | 97.5 | Very high | 90 Ų | 90 | 102.4 Ų | 102.4 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 176.3 | -70.7 | 175.6 | 0 | 0 | 0 | 111.5 | H41 Q42 K47 L48 E49 | H41-L45 WeakPolarHBondContact O-CG 3.36Å; H41-L45 PolarHBondContact O-N 3.38Å; Q42-L45 PolarHBondContact O-N 2.9Å; Q42-L45 VanDerWaalsContact O-N 3.14Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 3.14Å; L45-L48 PolarHBondContact O-N 3.37Å; L45-E49 PolarHBondContact O-N 2.99Å |
| 46 | E | 97.8 | Very high | 97.6 | Very high | 137 Ų | 137 | 103.7 Ų | 103.7 | 64% | 0.64 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.9 | -40.5 | 175.3 | -71.8 | 178.1 | 179.3 | 0 | 0 | 111.9 | Q42 E49 S50 | Q42-E46 PolarHBondContact O-N 3.32Å; E46-E49 PolarHBondContact O-N 3.47Å; E46-S50 WeakPolarHBondContact O-CB 3.34Å; E46-S50 PolarHBondContact O-N 3.32Å |
| 47 | K | 98.2 | Very high | 97.6 | Very high | 142 Ų | 142 | 109.2 Ų | 109.2 | 62% | 0.617 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.6 | -40.1 | 177.2 | -166.9 | 173.4 | -175.6 | 178.5 | 0 | 112 | A43 L44 L45 S50 L51 | A43-K47 WeakPolarHBondContact O-CB 3.34Å; A43-K47 PolarHBondContact O-N 2.89Å; L44-K47 PolarHBondContact O-N 2.98Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 3.14Å; K47-S50 PolarHBondContact O-N 3.33Å; K47-L51 WeakPolarHBondContact O-CB 3.44Å; K47-L51 WeakPolarHBondContact O-CG 3.4Å; K47-L51 PolarHBondContact O-N 3.24Å |
| 48 | L | 97.9 | Very high | 97.7 | Very high | 111 Ų | 111 | 111.8 Ų | 111.8 | 58% | 0.581 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.1 | -42.4 | 174.6 | -76.7 | 171.3 | 0 | 0 | 0 | 111.5 | L44 L45 L51 R52 | L44-L48 WeakPolarHBondContact O-CB 3.41Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 2.96Å; L45-L48 PolarHBondContact O-N 3.37Å; L48-L51 PolarHBondContact O-N 3.08Å; L48-R52 WeakPolarHBondContact O-CB 3.48Å; L48-R52 PolarHBondContact O-N 2.95Å |
| 49 | E | 97.9 | Very high | 97.8 | Very high | 133 Ų | 133 | 116 Ų | 116 | 62% | 0.621 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.9 | -43.9 | 176 | -171.7 | 167.9 | -157.9 | 0 | 0 | 111.6 | L45 E46 L51 R52 V53 | L45-E49 PolarHBondContact O-N 2.99Å; E46-E49 PolarHBondContact O-N 3.47Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 3.35Å; E49-R52 WeakPolarHBondContact O-CB 3.45Å; E49-R52 PolarHBondContact O-N 3.01Å; E49-V53 WeakPolarHBondContact O-CG2 3.46Å; E49-V53 PolarHBondContact O-N 3.49Å |
| 50 | S | 98.1 | Very high | 97.8 | Very high | 51 Ų | 51 | 113.3 Ų | 113.3 | 36% | 0.357 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -57.9 | -44.2 | 173.6 | -174 | 0 | 0 | 0 | 0 | 112.2 | E46 K47 V53 K54 | E46-S50 WeakPolarHBondContact O-CB 3.34Å; E46-S50 PolarHBondContact O-N 3.32Å; K47-S50 PolarHBondContact O-N 3.33Å; S50-V53 PolarHBondContact O-N 3.36Å; S50-K54 WeakPolarHBondContact O-CB 3.4Å; S50-K54 VanDerWaalsContact O-CG 3.26Å; S50-K54 WeakPolarHBondContact O-CG 3.37Å; S50-K54 PolarHBondContact O-N 2.96Å |
| 51 | L | 98.1 | Very high | 97.9 | Very high | 96 Ų | 96 | 111.1 Ų | 111.1 | 50% | 0.503 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 176.5 | -76.9 | 170.9 | 0 | 0 | 0 | 111.8 | K47 L48 E49 K54 L55 | K47-L51 WeakPolarHBondContact O-CB 3.44Å; K47-L51 WeakPolarHBondContact O-CG 3.4Å; K47-L51 PolarHBondContact O-N 3.24Å; L48-L51 PolarHBondContact O-N 3.08Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 3.35Å; L51-K54 PolarHBondContact O-N 3.5Å; L51-L55 WeakPolarHBondContact O-CB 3.3Å; L51-L55 PolarHBondContact O-N 2.91Å |
| 52 | R | 97.9 | Very high | 97.9 | Very high | 171 Ų | 171 | 112 Ų | 112 | 65% | 0.645 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.5 | -48.6 | 175.8 | 179.1 | -179.1 | 175.7 | 164 | 0.1 | 111.2 | L48 E49 L55 Q56 | L48-R52 WeakPolarHBondContact O-CB 3.48Å; L48-R52 PolarHBondContact O-N 2.95Å; E49-R52 WeakPolarHBondContact O-CB 3.45Å; E49-R52 PolarHBondContact O-N 3.01Å; R52-L55 PolarHBondContact O-N 3.19Å; R52-Q56 WeakPolarHBondContact O-CG 3.37Å; R52-Q56 PolarHBondContact O-N 3.39Å |
| 53 | V | 98.3 | Very high | 98 | Very high | 82 Ų | 82 | 111 Ų | 111 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 178.4 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | E49 S50 L55 Q56 R57 | E49-V53 WeakPolarHBondContact O-CG2 3.46Å; E49-V53 PolarHBondContact O-N 3.49Å; S50-V53 PolarHBondContact O-N 3.36Å; V53-L55 PolarHBondContact O-N 3.34Å; V53-Q56 PolarHBondContact O-N 3.09Å; V53-R57 WeakPolarHBondContact O-CB 3.48Å; V53-R57 PolarHBondContact O-N 3.49Å |
| 54 | K | 97.9 | Very high | 98 | Very high | 121 Ų | 121 | 115.6 Ų | 115.6 | 53% | 0.526 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 176 | -77.3 | 171.1 | -177.2 | 171.4 | 0 | 112.2 | S50 L51 R57 N58 | S50-K54 WeakPolarHBondContact O-CB 3.4Å; S50-K54 VanDerWaalsContact O-CG 3.26Å; S50-K54 WeakPolarHBondContact O-CG 3.37Å; S50-K54 PolarHBondContact O-N 2.96Å; L51-K54 PolarHBondContact O-N 3.5Å; K54-R57 PolarHBondContact O-N 2.91Å; K54-N58 PolarHBondContact O-N 3.48Å |
| 55 | L | 97.9 | Very high | 98 | Very high | 126 Ų | 126 | 113.9 Ų | 113.9 | 66% | 0.66 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.3 | -44 | 177.2 | -177.8 | 65.4 | 0 | 0 | 0 | 111.4 | L51 R52 V53 R57 N58 R59 | L51-L55 WeakPolarHBondContact O-CB 3.3Å; L51-L55 PolarHBondContact O-N 2.91Å; R52-L55 PolarHBondContact O-N 3.19Å; V53-L55 PolarHBondContact O-N 3.34Å; L55-R57 PolarHBondContact O-N 2.95Å; L55-N58 PolarHBondContact O-N 3.39Å; L55-R59 PolarHBondContact O-N 2.86Å |
| 56 | Q | 97.6 | Very high | 98.1 | Very high | 113 Ų | 113 | 116.4 Ų | 116.4 | 53% | 0.528 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 176.3 | -76.1 | -173.5 | -34 | 0 | 0 | 112.2 | R52 V53 R59 A60 | R52-Q56 WeakPolarHBondContact O-CG 3.37Å; R52-Q56 PolarHBondContact O-N 3.39Å; V53-Q56 PolarHBondContact O-N 3.09Å; Q56-R59 PolarHBondContact O-N 2.88Å; Q56-A60 WeakPolarHBondContact O-CB 3.43Å; Q56-A60 PolarHBondContact O-N 3.36Å |
| 57 | R | 98 | Very high | 98.1 | Very high | 187 Ų | 187 | 114.9 Ų | 114.9 | 71% | 0.706 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.1 | -46.3 | 175.2 | 174 | 179.7 | 153 | 169.3 | -4.4 | 111.8 | V53 K54 L55 R59 A60 E61 | V53-R57 WeakPolarHBondContact O-CB 3.48Å; V53-R57 PolarHBondContact O-N 3.49Å; K54-R57 PolarHBondContact O-N 2.91Å; L55-R57 PolarHBondContact O-N 2.95Å; R57-R59 VanDerWaalsContact C-N 3.32Å; R57-R59 PolarHBondContact O-N 3.23Å; R57-A60 PolarHBondContact O-N 3.04Å; R57-E61 VanDerWaalsContact O-CB 3.29Å; R57-E61 WeakPolarHBondContact O-CB 3.45Å; R57-E61 PolarHBondContact O-N 3.21Å |
| 58 | N | 97.8 | Very high | 98.1 | Very high | 89 Ų | 89 | 110.8 Ų | 110.8 | 48% | 0.476 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 178.8 | -72.6 | -10.1 | 0 | 0 | 0 | 111.4 | K54 L55 A60 E61 E62 | K54-N58 PolarHBondContact O-N 3.48Å; L55-N58 PolarHBondContact O-N 3.39Å; N58-A60 PolarHBondContact O-N 3.35Å; N58-E61 WeakPolarHBondContact O-CB 3.33Å; N58-E61 PolarHBondContact O-N 3.45Å; N58-E62 WeakPolarHBondContact O-CG 3.36Å; N58-E62 PolarHBondContact O-N 3.44Å |
| 59 | R | 98.1 | Very high | 98.2 | Very high | 177 Ų | 177 | 112.5 Ų | 112.5 | 67% | 0.668 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.2 | -44 | 175.7 | -172.4 | 176 | -176.6 | 161.6 | 1.7 | 112.4 | L55 Q56 R57 E61 E62 E63 | L55-R59 PolarHBondContact O-N 2.86Å; Q56-R59 PolarHBondContact O-N 2.88Å; R57-R59 VanDerWaalsContact C-N 3.32Å; R57-R59 PolarHBondContact O-N 3.23Å; R59-E61 VanDerWaalsContact C-N 3.31Å; R59-E61 PolarHBondContact O-N 3.24Å; R59-E62 PolarHBondContact O-N 3.44Å; R59-E63 WeakPolarHBondContact O-CG 3.26Å; R59-E63 PolarHBondContact O-N 2.9Å |
| 60 | A | 98.1 | Very high | 98.2 | Very high | 61 Ų | 61 | 110 Ų | 110 | 50% | 0.504 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q56 R57 N58 E63 R64 | Q56-A60 WeakPolarHBondContact O-CB 3.43Å; Q56-A60 PolarHBondContact O-N 3.36Å; R57-A60 PolarHBondContact O-N 3.04Å; N58-A60 PolarHBondContact O-N 3.35Å; A60-E63 PolarHBondContact O-N 3.06Å; A60-R64 WeakPolarHBondContact O-CB 3.41Å; A60-R64 PolarHBondContact O-N 3.48Å |
| 61 | E | 98.2 | Very high | 98.2 | Very high | 65 Ų | 65 | 113.6 Ų | 113.6 | 30% | 0.304 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 176.1 | -178.6 | 58 | -141.1 | 0 | 0 | 111.7 | R57 N58 R59 R64 N65 | R57-E61 VanDerWaalsContact O-CB 3.29Å; R57-E61 WeakPolarHBondContact O-CB 3.45Å; R57-E61 PolarHBondContact O-N 3.21Å; N58-E61 WeakPolarHBondContact O-CB 3.33Å; N58-E61 PolarHBondContact O-N 3.45Å; R59-E61 VanDerWaalsContact C-N 3.31Å; R59-E61 PolarHBondContact O-N 3.24Å; E61-R64 PolarHBondContact O-N 2.82Å; E61-R64 IonicContact OE1-CZ 3.29Å; E61-R64 IonicContact OE1-NE 3.73Å; E61-R64 PolarHBondContact OE1-NE 2.85Å; E61-R64 IonicContact OE1-NH2 3.22Å; E61-R64 PolarHBondContact OE1-NH2 3.39Å; E61-R64 IonicContact OE2-CZ 2.64Å; E61-R64 IonicContact OE2-NE 3.21Å; E61-R64 PolarHBondContact OE2-NE 2.93Å; E61-R64 IonicContact OE2-NH1 2.87Å; E61-R64 IonicContact OE2-NH2 2.72Å; E61-R64 PolarHBondContact OE2-NH2 3Å; E61-N65 WeakPolarHBondContact O-CB 3.47Å; E61-N65 PolarHBondContact O-N 3.29Å; E61-N65 PolarHBondContact O-ND2 3.42Å; E61-N65 VanDerWaalsContact O-ND2 3.07Å; E61-N65 PolarHBondContact OE1-ND2 3Å; E61-N65 PolarHBondContact OE1-OD1 3.47Å |
| 62 | E | 98.3 | Very high | 98.2 | Very high | 133 Ų | 133 | 113.8 Ų | 113.8 | 62% | 0.621 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.5 | -47.2 | 174.3 | -74.2 | 169 | -173.2 | 0 | 0 | 112 | N58 R59 R64 N65 R66 | N58-E62 WeakPolarHBondContact O-CG 3.36Å; N58-E62 PolarHBondContact O-N 3.44Å; R59-E62 PolarHBondContact O-N 3.44Å; E62-R64 PolarHBondContact O-N 3.07Å; E62-N65 PolarHBondContact O-N 3.46Å; E62-R66 WeakPolarHBondContact O-CB 3.33Å; E62-R66 PolarHBondContact O-N 3.45Å |
| 63 | E | 98.3 | Very high | 98.3 | Very high | 86 Ų | 86 | 110.3 Ų | 110.3 | 40% | 0.402 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 176.2 | -70.7 | -62.6 | 159.8 | 0 | 0 | 111.9 | R59 A60 N65 R66 L67 | R59-E63 WeakPolarHBondContact O-CG 3.26Å; R59-E63 PolarHBondContact O-N 2.9Å; A60-E63 PolarHBondContact O-N 3.06Å; E63-N65 VanDerWaalsContact C-N 3.34Å; E63-N65 PolarHBondContact O-N 3.08Å; E63-R66 WeakPolarHBondContact O-CB 3.5Å; E63-R66 PolarHBondContact O-N 2.92Å; E63-L67 WeakPolarHBondContact O-CG 3.46Å; E63-L67 PolarHBondContact O-N 3.37Å |
| 64 | R | 98.4 | Very high | 98.3 | Very high | 151 Ų | 151 | 109.2 Ų | 109.2 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59 | -46.6 | 174.6 | -174.6 | -171.6 | 73.9 | 164.3 | 5.1 | 111.3 | A60 E61 E62 R66 L67 A68 | A60-R64 WeakPolarHBondContact O-CB 3.41Å; A60-R64 PolarHBondContact O-N 3.48Å; E61-R64 PolarHBondContact O-N 2.82Å; E61-R64 IonicContact OE1-CZ 3.29Å; E61-R64 IonicContact OE1-NE 3.73Å; E61-R64 PolarHBondContact OE1-NE 2.85Å; E61-R64 IonicContact OE1-NH2 3.22Å; E61-R64 PolarHBondContact OE1-NH2 3.39Å; E61-R64 IonicContact OE2-CZ 2.64Å; E61-R64 IonicContact OE2-NE 3.21Å; E61-R64 PolarHBondContact OE2-NE 2.93Å; E61-R64 IonicContact OE2-NH1 2.87Å; E61-R64 IonicContact OE2-NH2 2.72Å; E61-R64 PolarHBondContact OE2-NH2 3Å; E62-R64 PolarHBondContact O-N 3.07Å; R64-R66 VanDerWaalsContact C-N 3.3Å; R64-R66 PolarHBondContact O-N 3.41Å; R64-L67 PolarHBondContact O-N 3.3Å; R64-A68 WeakPolarHBondContact O-CB 3.43Å; R64-A68 PolarHBondContact O-N 2.99Å |
| 65 | N | 98.5 | Very high | 98.3 | Very high | 69 Ų | 69 | 108.1 Ų | 108.1 | 37% | 0.369 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.4 | -33.3 | -179.7 | -69.9 | -28.3 | 0 | 0 | 0 | 112.1 | E61 E62 E63 K69 | E61-N65 WeakPolarHBondContact O-CB 3.47Å; E61-N65 PolarHBondContact O-N 3.29Å; E61-N65 PolarHBondContact O-ND2 3.42Å; E61-N65 VanDerWaalsContact O-ND2 3.07Å; E61-N65 PolarHBondContact OE1-ND2 3Å; E61-N65 PolarHBondContact OE1-OD1 3.47Å; E62-N65 PolarHBondContact O-N 3.46Å; E63-N65 VanDerWaalsContact C-N 3.34Å; E63-N65 PolarHBondContact O-N 3.08Å; N65-K69 WeakPolarHBondContact O-CG 3.42Å; N65-K69 PolarHBondContact O-N 3.45Å |
| 66 | R | 98.6 | Very high | 98.3 | Very high | 144 Ų | 144 | 109 Ų | 109 | 54% | 0.543 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.8 | -53.1 | 172.7 | -179.2 | -174.3 | 170.5 | 179.3 | 2.2 | 111.4 | E62 E63 R64 A68 K69 E70 | E62-R66 WeakPolarHBondContact O-CB 3.33Å; E62-R66 PolarHBondContact O-N 3.45Å; E63-R66 WeakPolarHBondContact O-CB 3.5Å; E63-R66 PolarHBondContact O-N 2.92Å; R64-R66 VanDerWaalsContact C-N 3.3Å; R64-R66 PolarHBondContact O-N 3.41Å; R66-A68 VanDerWaalsContact C-N 3.26Å; R66-A68 PolarHBondContact O-N 3.27Å; R66-K69 PolarHBondContact O-N 3.49Å; R66-K69 VanDerWaalsContact O-N 3.12Å; R66-E70 IonicContact CZ-OE1 3.94Å; R66-E70 IonicContact NE-OE1 3.08Å; R66-E70 PolarHBondContact NE-OE1 2.96Å; R66-E70 IonicContact NH2-OE1 3.95Å; R66-E70 PolarHBondContact O-N 2.97Å |
| 67 | L | 98.4 | Very high | 98.4 | Very high | 105 Ų | 105 | 109 Ų | 109 | 55% | 0.55 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -37.3 | 179.4 | -69.6 | 173.5 | 0 | 0 | 0 | 111.9 | E63 R64 K69 E70 L71 | E63-L67 WeakPolarHBondContact O-CG 3.46Å; E63-L67 PolarHBondContact O-N 3.37Å; R64-L67 PolarHBondContact O-N 3.3Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 2.92Å; L67-E70 PolarHBondContact O-N 3.28Å; L67-L71 WeakPolarHBondContact O-CB 3.35Å; L67-L71 PolarHBondContact O-N 3.49Å |
| 68 | A | 98.4 | Very high | 98.4 | Very high | 55 Ų | 55 | 105.7 Ų | 105.7 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R64 R66 L71 E72 | R64-A68 WeakPolarHBondContact O-CB 3.43Å; R64-A68 PolarHBondContact O-N 2.99Å; R66-A68 VanDerWaalsContact C-N 3.26Å; R66-A68 PolarHBondContact O-N 3.27Å; A68-L71 PolarHBondContact O-N 3.46Å; A68-E72 WeakPolarHBondContact O-CB 3.42Å; A68-E72 PolarHBondContact O-N 2.88Å |
| 69 | K | 98.6 | Very high | 98.4 | Very high | 147 Ų | 147 | 104 Ų | 104 | 64% | 0.639 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.7 | -41.4 | 175.8 | -71.6 | 175.4 | -179 | -179.2 | 0 | 112.3 | N65 R66 L67 L71 E72 E73 | N65-K69 WeakPolarHBondContact O-CG 3.42Å; N65-K69 PolarHBondContact O-N 3.45Å; R66-K69 PolarHBondContact O-N 3.49Å; R66-K69 VanDerWaalsContact O-N 3.12Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 2.92Å; K69-L71 VanDerWaalsContact C-N 3.32Å; K69-E72 PolarHBondContact O-N 3.5Å; K69-E73 WeakPolarHBondContact O-CB 3.37Å; K69-E73 PolarHBondContact O-N 3.05Å |
| 70 | E | 98.5 | Very high | 98.4 | Very high | 81 Ų | 81 | 98.1 Ų | 98.1 | 38% | 0.379 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -39 | 177.5 | -70.7 | 176.6 | -170.3 | 0 | 0 | 111.3 | R66 L67 S74 | R66-E70 IonicContact CZ-OE1 3.94Å; R66-E70 IonicContact NE-OE1 3.08Å; R66-E70 PolarHBondContact NE-OE1 2.96Å; R66-E70 IonicContact NH2-OE1 3.95Å; R66-E70 PolarHBondContact O-N 2.97Å; L67-E70 PolarHBondContact O-N 3.28Å; E70-S74 WeakPolarHBondContact O-CB 3.37Å; E70-S74 PolarHBondContact O-N 2.93Å; E70-S74 PolarHBondContact O-OG 3.5Å |
| 71 | L | 98.5 | Very high | 98.4 | Very high | 127 Ų | 127 | 100.2 Ų | 100.2 | 67% | 0.665 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66 | -45.6 | 174.5 | -176 | 63.5 | 0 | 0 | 0 | 111.4 | L67 A68 K69 E73 S74 D75 | L67-L71 WeakPolarHBondContact O-CB 3.35Å; L67-L71 PolarHBondContact O-N 3.49Å; A68-L71 PolarHBondContact O-N 3.46Å; K69-L71 VanDerWaalsContact C-N 3.32Å; L71-E73 PolarHBondContact O-N 2.88Å; L71-S74 PolarHBondContact O-N 3.44Å; L71-D75 WeakPolarHBondContact O-CB 3.47Å; L71-D75 PolarHBondContact O-N 3.39Å |
| 72 | E | 98.4 | Very high | 98.4 | Very high | 99 Ų | 99 | 100.5 Ų | 100.5 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 177.9 | -167.1 | -174.8 | -178.4 | 0 | 0 | 111.7 | A68 K69 S74 D75 R76 | A68-E72 WeakPolarHBondContact O-CB 3.42Å; A68-E72 PolarHBondContact O-N 2.88Å; K69-E72 PolarHBondContact O-N 3.5Å; E72-S74 VanDerWaalsContact C-N 3.35Å; E72-D75 PolarHBondContact O-N 2.9Å; E72-R76 WeakPolarHBondContact O-CB 3.32Å; E72-R76 VanDerWaalsContact O-CG 3.26Å; E72-R76 WeakPolarHBondContact O-CG 3.47Å; E72-R76 PolarHBondContact O-N 2.88Å; E72-R76 IonicContact OE1-CZ 2.68Å; E72-R76 IonicContact OE1-NE 2.92Å; E72-R76 IonicContact OE1-NH2 3.5Å; E72-R76 PolarHBondContact OE1-NH2 3.22Å; E72-R76 IonicContact OE2-NH2 3.64Å; E72-R76 PolarHBondContact OE2-NH2 2.89Å |
| 73 | E | 98.6 | Very high | 98.4 | Very high | 98 Ų | 98 | 100 Ų | 100 | 46% | 0.458 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 174.8 | -170.7 | -174.8 | 157 | 0 | 0 | 111.9 | K69 L71 K77 | K69-E73 WeakPolarHBondContact O-CB 3.37Å; K69-E73 PolarHBondContact O-N 3.05Å; L71-E73 PolarHBondContact O-N 2.88Å; E73-K77 WeakPolarHBondContact O-CG 3.42Å; E73-K77 PolarHBondContact O-N 3.23Å; E73-K77 WeakPolarHBondContact OE1-CE 3.33Å; E73-K77 IonicContact OE1-NZ 3.82Å; E73-K77 PolarHBondContact OE1-NZ 3.41Å |
| 74 | S | 98.3 | Very high | 98.4 | Very high | 60 Ų | 60 | 101.5 Ų | 101.5 | 42% | 0.42 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 177 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | E70 L71 E72 K77 L78 | E70-S74 WeakPolarHBondContact O-CB 3.37Å; E70-S74 PolarHBondContact O-N 2.93Å; E70-S74 PolarHBondContact O-OG 3.5Å; L71-S74 PolarHBondContact O-N 3.44Å; E72-S74 VanDerWaalsContact C-N 3.35Å; S74-K77 PolarHBondContact O-N 3.18Å; S74-L78 WeakPolarHBondContact O-CG 3.39Å; S74-L78 PolarHBondContact O-N 3.25Å |
| 75 | D | 98.4 | Very high | 98.4 | Very high | 98 Ų | 98 | 100 Ų | 100 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.6 | -48.3 | 175.3 | -172.6 | 66.2 | 0 | 0 | 0 | 111 | L71 E72 K77 L78 S79 | L71-D75 WeakPolarHBondContact O-CB 3.47Å; L71-D75 PolarHBondContact O-N 3.39Å; E72-D75 PolarHBondContact O-N 2.9Å; D75-K77 VanDerWaalsContact C-N 3.31Å; D75-K77 PolarHBondContact O-N 3.16Å; D75-L78 WeakPolarHBondContact O-CB 3.44Å; D75-L78 PolarHBondContact O-N 2.91Å; D75-L78 VanDerWaalsContact O-N 3.1Å; D75-S79 PolarHBondContact O-N 3.35Å; D75-S79 PolarHBondContact O-OG 2.84Å |
| 76 | R | 98.7 | Very high | 98.4 | Very high | 144 Ų | 144 | 99 Ų | 99 | 54% | 0.543 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.2 | -41.8 | 174.5 | -71.2 | 176.6 | -160.8 | 154.5 | -0.1 | 112.7 | E72 S79 A80 | E72-R76 WeakPolarHBondContact O-CB 3.32Å; E72-R76 VanDerWaalsContact O-CG 3.26Å; E72-R76 WeakPolarHBondContact O-CG 3.47Å; E72-R76 PolarHBondContact O-N 2.88Å; E72-R76 IonicContact OE1-CZ 2.68Å; E72-R76 IonicContact OE1-NE 2.92Å; E72-R76 IonicContact OE1-NH2 3.5Å; E72-R76 PolarHBondContact OE1-NH2 3.22Å; E72-R76 IonicContact OE2-NH2 3.64Å; E72-R76 PolarHBondContact OE2-NH2 2.89Å; R76-S79 PolarHBondContact O-N 3.32Å; R76-A80 WeakPolarHBondContact O-CB 3.41Å; R76-A80 PolarHBondContact O-N 2.98Å |
| 77 | K | 98.7 | Very high | 98.4 | Very high | 113 Ų | 113 | 96 Ų | 96 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 176.6 | -75.5 | 171.3 | -175.2 | 165.8 | 0 | 111.6 | E73 S74 D75 A80 L81 | E73-K77 WeakPolarHBondContact O-CG 3.42Å; E73-K77 PolarHBondContact O-N 3.23Å; E73-K77 WeakPolarHBondContact OE1-CE 3.33Å; E73-K77 IonicContact OE1-NZ 3.82Å; E73-K77 PolarHBondContact OE1-NZ 3.41Å; S74-K77 PolarHBondContact O-N 3.18Å; D75-K77 VanDerWaalsContact C-N 3.31Å; D75-K77 PolarHBondContact O-N 3.16Å; K77-A80 PolarHBondContact O-N 2.66Å; K77-L81 WeakPolarHBondContact O-CG 3.48Å; K77-L81 PolarHBondContact O-N 3.07Å |
| 78 | L | 97.9 | Very high | 98.4 | Very high | 117 Ų | 117 | 93.7 Ų | 93.7 | 61% | 0.613 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.9 | -43.5 | 177.1 | -71.5 | 172.6 | 0 | 0 | 0 | 111.4 | S74 D75 L81 S82 | S74-L78 WeakPolarHBondContact O-CG 3.39Å; S74-L78 PolarHBondContact O-N 3.25Å; D75-L78 WeakPolarHBondContact O-CB 3.44Å; D75-L78 PolarHBondContact O-N 2.91Å; D75-L78 VanDerWaalsContact O-N 3.1Å; L78-L81 PolarHBondContact O-N 2.92Å; L78-S82 VanDerWaalsContact O-CB 3.28Å; L78-S82 WeakPolarHBondContact O-CB 3.34Å; L78-S82 PolarHBondContact O-N 3.49Å |
| 79 | S | 98.3 | Very high | 98.3 | Very high | 53 Ų | 53 | 96.2 Ų | 96.2 | 37% | 0.371 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 174.9 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | D75 R76 L81 S82 E83 | D75-S79 PolarHBondContact O-N 3.35Å; D75-S79 PolarHBondContact O-OG 2.84Å; R76-S79 PolarHBondContact O-N 3.32Å; S79-L81 PolarHBondContact O-N 3.28Å; S79-S82 WeakPolarHBondContact O-CB 3.37Å; S79-S82 PolarHBondContact O-N 2.63Å; S79-E83 WeakPolarHBondContact O-CG 3.2Å; S79-E83 PolarHBondContact O-N 3.28Å |
| 80 | A | 98.5 | Very high | 98.3 | Very high | 54 Ų | 54 | 95.6 Ų | 95.6 | 45% | 0.446 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R76 K77 S82 E83 E84 | R76-A80 WeakPolarHBondContact O-CB 3.41Å; R76-A80 PolarHBondContact O-N 2.98Å; K77-A80 PolarHBondContact O-N 2.66Å; A80-S82 VanDerWaalsContact C-N 3.35Å; A80-E83 PolarHBondContact O-N 2.95Å; A80-E84 WeakPolarHBondContact O-CB 3.49Å; A80-E84 PolarHBondContact O-N 3.39Å |
| 81 | L | 98.2 | Very high | 98.3 | Very high | 106 Ų | 106 | 97.4 Ų | 97.4 | 56% | 0.555 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.3 | -35.7 | 176.6 | -70.9 | 173.1 | 0 | 0 | 0 | 112.4 | K77 L78 S79 Q85 | K77-L81 WeakPolarHBondContact O-CG 3.48Å; K77-L81 PolarHBondContact O-N 3.07Å; L78-L81 PolarHBondContact O-N 2.92Å; S79-L81 PolarHBondContact O-N 3.28Å; L81-Q85 WeakPolarHBondContact O-CB 3.42Å; L81-Q85 PolarHBondContact O-N 3.34Å |
| 82 | S | 97.6 | Very high | 98.3 | Very high | 70 Ų | 70 | 98.6 Ų | 98.6 | 49% | 0.49 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 175.1 | 178.4 | 0 | 0 | 0 | 0 | 111.4 | L78 S79 A80 S86 | L78-S82 VanDerWaalsContact O-CB 3.28Å; L78-S82 WeakPolarHBondContact O-CB 3.34Å; L78-S82 PolarHBondContact O-N 3.49Å; S79-S82 WeakPolarHBondContact O-CB 3.37Å; S79-S82 PolarHBondContact O-N 2.63Å; A80-S82 VanDerWaalsContact C-N 3.35Å; S82-S86 WeakPolarHBondContact O-CB 3.29Å; S82-S86 PolarHBondContact O-N 3.48Å |
| 83 | E | 98.3 | Very high | 98.3 | Very high | 124 Ų | 124 | 96.7 Ų | 96.7 | 58% | 0.579 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.9 | -49.2 | 175 | -75 | 175.6 | -175 | 0 | 0 | 110.7 | S79 A80 Q85 S86 E87 | S79-E83 WeakPolarHBondContact O-CG 3.2Å; S79-E83 PolarHBondContact O-N 3.28Å; A80-E83 PolarHBondContact O-N 2.95Å; E83-Q85 VanDerWaalsContact C-N 3.33Å; E83-Q85 PolarHBondContact O-N 3.04Å; E83-S86 WeakPolarHBondContact O-CB 3.35Å; E83-S86 PolarHBondContact O-N 3.47Å; E83-S86 PolarHBondContact O-OG 3.27Å; E83-E87 WeakPolarHBondContact O-CG 3.49Å; E83-E87 PolarHBondContact O-N 3.45Å |
| 84 | E | 98.4 | Very high | 98.3 | Very high | 117 Ų | 117 | 97.7 Ų | 97.7 | 55% | 0.547 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.8 | -45.8 | 176.7 | -174.8 | 177.6 | -177.8 | 0 | 0 | 111.6 | A80 S86 E87 E88 | A80-E84 WeakPolarHBondContact O-CB 3.49Å; A80-E84 PolarHBondContact O-N 3.39Å; E84-S86 VanDerWaalsContact C-N 3.32Å; E84-S86 PolarHBondContact O-N 3.41Å; E84-E87 PolarHBondContact O-N 2.93Å; E84-E88 PolarHBondContact O-N 3.12Å |
| 85 | Q | 98.4 | Very high | 98.3 | Very high | 120 Ų | 120 | 100.3 Ų | 100.3 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.6 | -43.3 | 175.2 | -175.6 | -170.5 | 67.7 | 0 | 0 | 111.7 | L81 E83 E87 E88 Q89 | L81-Q85 WeakPolarHBondContact O-CB 3.42Å; L81-Q85 PolarHBondContact O-N 3.34Å; E83-Q85 VanDerWaalsContact C-N 3.33Å; E83-Q85 PolarHBondContact O-N 3.04Å; Q85-E87 VanDerWaalsContact C-N 3.3Å; Q85-E87 PolarHBondContact O-N 2.92Å; Q85-E88 PolarHBondContact O-N 3.43Å; Q85-Q89 WeakPolarHBondContact O-CB 3.39Å; Q85-Q89 WeakPolarHBondContact O-CG 3.21Å; Q85-Q89 PolarHBondContact O-N 3.19Å |
| 86 | S | 97.9 | Very high | 98.3 | Very high | 47 Ų | 47 | 99.9 Ų | 99.9 | 33% | 0.329 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.6 | -33 | 179.8 | 81.7 | 0 | 0 | 0 | 0 | 112.6 | S82 E83 E84 R90 | S82-S86 WeakPolarHBondContact O-CB 3.29Å; S82-S86 PolarHBondContact O-N 3.48Å; E83-S86 WeakPolarHBondContact O-CB 3.35Å; E83-S86 PolarHBondContact O-N 3.47Å; E83-S86 PolarHBondContact O-OG 3.27Å; E84-S86 VanDerWaalsContact C-N 3.32Å; E84-S86 PolarHBondContact O-N 3.41Å; S86-R90 WeakPolarHBondContact O-CB 3.32Å; S86-R90 PolarHBondContact O-N 3.11Å |
| 87 | E | 98.6 | Very high | 98.3 | Very high | 80 Ų | 80 | 97.7 Ų | 97.7 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.8 | -45.5 | 175.4 | -72.9 | -170.9 | 176.5 | 0 | 0 | 111.4 | E83 E84 Q85 Q89 R90 R91 | E83-E87 WeakPolarHBondContact O-CG 3.49Å; E83-E87 PolarHBondContact O-N 3.45Å; E84-E87 PolarHBondContact O-N 2.93Å; Q85-E87 VanDerWaalsContact C-N 3.3Å; Q85-E87 PolarHBondContact O-N 2.92Å; E87-Q89 VanDerWaalsContact C-N 3.34Å; E87-Q89 PolarHBondContact O-N 2.9Å; E87-R90 WeakPolarHBondContact O-CB 3.38Å; E87-R90 PolarHBondContact O-N 3.42Å; E87-R90 VanDerWaalsContact O-N 3.12Å; E87-R91 WeakPolarHBondContact O-CG 3.41Å; E87-R91 PolarHBondContact O-N 3.4Å; E87-R91 IonicContact OE2-NH2 3.33Å; E87-R91 PolarHBondContact OE2-NH2 3.2Å |
| 88 | E | 98.5 | Very high | 98.3 | Very high | 57 Ų | 57 | 96.9 Ų | 96.9 | 27% | 0.266 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 175.3 | -73.1 | -60.1 | 137.6 | 0 | 0 | 111.6 | E84 Q85 R90 R91 W92 | E84-E88 PolarHBondContact O-N 3.12Å; Q85-E88 PolarHBondContact O-N 3.43Å; E88-R90 VanDerWaalsContact C-N 3.27Å; E88-R90 PolarHBondContact O-N 3.41Å; E88-R91 PolarHBondContact O-N 2.76Å; E88-R91 IonicContact OE1-CZ 2.63Å; E88-R91 IonicContact OE1-NE 3.48Å; E88-R91 IonicContact OE1-NH1 2.66Å; E88-R91 PolarHBondContact OE1-NH1 3.38Å; E88-W92 HydrophobicContact CB-CH2 4.4Å; E88-W92 HydrophobicContact CB-CZ2 4.41Å; E88-W92 PolarHBondContact O-N 2.76Å |
| 89 | Q | 97.3 | Very high | 98.3 | Very high | 108 Ų | 108 | 96.2 Ų | 96.2 | 51% | 0.505 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.3 | -40.1 | 173 | -76.7 | 177.8 | 6.1 | 0 | 0 | 112.1 | Q85 E87 A93 | Q85-Q89 WeakPolarHBondContact O-CB 3.39Å; Q85-Q89 WeakPolarHBondContact O-CG 3.21Å; Q85-Q89 PolarHBondContact O-N 3.19Å; E87-Q89 VanDerWaalsContact C-N 3.34Å; E87-Q89 PolarHBondContact O-N 2.9Å; Q89-A93 WeakPolarHBondContact O-CB 3.3Å; Q89-A93 PolarHBondContact O-N 3.46Å |
| 90 | R | 98.6 | Very high | 98.3 | Very high | 135 Ų | 135 | 100.7 Ų | 100.7 | 51% | 0.509 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.7 | -44.4 | 176.9 | -164.3 | -171.7 | -46.8 | 143.1 | 13 | 111.6 | S86 E87 E88 A93 E94 | S86-R90 WeakPolarHBondContact O-CB 3.32Å; S86-R90 PolarHBondContact O-N 3.11Å; E87-R90 WeakPolarHBondContact O-CB 3.38Å; E87-R90 PolarHBondContact O-N 3.42Å; E87-R90 VanDerWaalsContact O-N 3.12Å; E88-R90 VanDerWaalsContact C-N 3.27Å; E88-R90 PolarHBondContact O-N 3.41Å; R90-A93 WeakPolarHBondContact O-CB 3.44Å; R90-A93 PolarHBondContact O-N 2.96Å; R90-E94 WeakPolarHBondContact O-CG 3.36Å; R90-E94 PolarHBondContact O-N 3.44Å |
| 91 | R | 98.7 | Very high | 98.3 | Very high | 119 Ų | 119 | 105 Ų | 105 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.7 | -49 | 176.6 | -70.9 | 173.3 | -168.4 | 170.5 | 6.2 | 111 | E87 E88 A93 E94 E95 | E87-R91 WeakPolarHBondContact O-CG 3.41Å; E87-R91 PolarHBondContact O-N 3.4Å; E87-R91 IonicContact OE2-NH2 3.33Å; E87-R91 PolarHBondContact OE2-NH2 3.2Å; E88-R91 PolarHBondContact O-N 2.76Å; E88-R91 IonicContact OE1-CZ 2.63Å; E88-R91 IonicContact OE1-NE 3.48Å; E88-R91 IonicContact OE1-NH1 2.66Å; E88-R91 PolarHBondContact OE1-NH1 3.38Å; R91-A93 VanDerWaalsContact C-N 3.31Å; R91-A93 PolarHBondContact O-N 2.85Å; R91-E94 PolarHBondContact O-N 3.49Å; R91-E95 WeakPolarHBondContact O-CG 3.19Å; R91-E95 PolarHBondContact O-N 3Å |
| 92 | W | 98.1 | Very high | 98.3 | Very high | 152 Ų | 152 | 103.9 Ų | 103.9 | 58% | 0.576 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.6 | -36.3 | 176.6 | -64.6 | -27.3 | 0 | 0 | 0 | 112.8 | E88 L96 | E88-W92 HydrophobicContact CB-CH2 4.4Å; E88-W92 HydrophobicContact CB-CZ2 4.41Å; E88-W92 PolarHBondContact O-N 2.76Å; W92-L96 VanDerWaalsContact O-CB 3.23Å; W92-L96 WeakPolarHBondContact O-CB 3.31Å; W92-L96 PolarHBondContact O-N 3.27Å |
| 93 | A | 98.4 | Very high | 98.3 | Very high | 59 Ų | 59 | 107 Ų | 107 | 49% | 0.488 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q89 R90 R91 L96 E97 | Q89-A93 WeakPolarHBondContact O-CB 3.3Å; Q89-A93 PolarHBondContact O-N 3.46Å; R90-A93 WeakPolarHBondContact O-CB 3.44Å; R90-A93 PolarHBondContact O-N 2.96Å; R91-A93 VanDerWaalsContact C-N 3.31Å; R91-A93 PolarHBondContact O-N 2.85Å; A93-L96 PolarHBondContact O-N 2.9Å; A93-E97 PolarHBondContact O-N 2.84Å |
| 94 | E | 98.7 | Very high | 98.3 | Very high | 119 Ų | 119 | 105.1 Ų | 105.1 | 56% | 0.556 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.2 | -45 | 176.5 | -73.3 | 172.5 | -168.8 | 0 | 0 | 112.1 | R90 R91 L96 E97 Q98 | R90-E94 WeakPolarHBondContact O-CG 3.36Å; R90-E94 PolarHBondContact O-N 3.44Å; R91-E94 PolarHBondContact O-N 3.49Å; E94-L96 PolarHBondContact O-N 2.93Å; E94-E97 PolarHBondContact O-N 3.36Å; E94-Q98 WeakPolarHBondContact O-CB 3.47Å; E94-Q98 PolarHBondContact O-N 3.17Å |
| 95 | E | 98.5 | Very high | 98.3 | Very high | 114 Ų | 114 | 105.4 Ų | 105.4 | 53% | 0.533 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 175.2 | -75.1 | -178.9 | -178.7 | 0 | 0 | 111.7 | R91 E97 Q98 L99 | R91-E95 WeakPolarHBondContact O-CG 3.19Å; R91-E95 PolarHBondContact O-N 3Å; E95-E97 VanDerWaalsContact C-N 3.33Å; E95-E97 PolarHBondContact O-N 3.19Å; E95-Q98 PolarHBondContact O-N 3.45Å; E95-L99 WeakPolarHBondContact O-CB 3.34Å; E95-L99 WeakPolarHBondContact O-CG 3.44Å; E95-L99 PolarHBondContact O-N 2.83Å |
| 96 | L | 98.3 | Very high | 98.3 | Very high | 90 Ų | 90 | 103.1 Ų | 103.1 | 47% | 0.471 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 177.2 | -177.2 | 63.3 | 0 | 0 | 0 | 111.3 | W92 A93 E94 L99 R100 | W92-L96 VanDerWaalsContact O-CB 3.23Å; W92-L96 WeakPolarHBondContact O-CB 3.31Å; W92-L96 PolarHBondContact O-N 3.27Å; A93-L96 PolarHBondContact O-N 2.9Å; E94-L96 PolarHBondContact O-N 2.93Å; L96-L99 PolarHBondContact O-N 3.37Å; L96-R100 WeakPolarHBondContact O-CB 3.29Å; L96-R100 VanDerWaalsContact O-CG 3.22Å; L96-R100 WeakPolarHBondContact O-CG 3.46Å; L96-R100 PolarHBondContact O-N 3.06Å |
| 97 | E | 98.6 | Very high | 98.2 | Very high | 98 Ų | 98 | 107 Ų | 107 | 46% | 0.458 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.1 | -36.4 | 176.7 | -175.8 | 52.9 | -146.3 | 0 | 0 | 111.9 | A93 E94 E95 R100 R101 | A93-E97 PolarHBondContact O-N 2.84Å; E94-E97 PolarHBondContact O-N 3.36Å; E95-E97 VanDerWaalsContact C-N 3.33Å; E95-E97 PolarHBondContact O-N 3.19Å; E97-R100 PolarHBondContact O-N 3.45Å; E97-R101 WeakPolarHBondContact O-CB 3.4Å; E97-R101 WeakPolarHBondContact O-CG 3.28Å; E97-R101 PolarHBondContact O-N 2.8Å; E97-R101 PolarHBondContact O-NE 3.36Å |
| 98 | Q | 98.7 | Very high | 98.2 | Very high | 95 Ų | 95 | 109.3 Ų | 109.3 | 44% | 0.444 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -49.8 | 172.2 | -179.7 | 176.6 | -20.1 | 0 | 0 | 111.5 | E94 E95 R100 R101 E102 | E94-Q98 WeakPolarHBondContact O-CB 3.47Å; E94-Q98 PolarHBondContact O-N 3.17Å; E95-Q98 PolarHBondContact O-N 3.45Å; Q98-R100 VanDerWaalsContact C-N 3.3Å; Q98-R100 PolarHBondContact O-N 3.21Å; Q98-R101 WeakPolarHBondContact O-CB 3.48Å; Q98-R101 PolarHBondContact O-N 2.82Å; Q98-R101 VanDerWaalsContact O-N 3.15Å; Q98-E102 HydrophobicContact CG-CG 4.49Å; Q98-E102 PolarHBondContact NE2-OE1 2.82Å; Q98-E102 WeakPolarHBondContact O-CG 3.3Å; Q98-E102 PolarHBondContact O-N 3.46Å |
| 99 | L | 98.3 | Very high | 98.1 | Very high | 103 Ų | 103 | 111.1 Ų | 111.1 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 178.9 | -72.4 | 172.8 | 0 | 0 | 0 | 111.6 | E95 L96 E102 M103 | E95-L99 WeakPolarHBondContact O-CB 3.34Å; E95-L99 WeakPolarHBondContact O-CG 3.44Å; E95-L99 PolarHBondContact O-N 2.83Å; L96-L99 PolarHBondContact O-N 3.37Å; L99-E102 PolarHBondContact O-N 3.3Å; L99-M103 WeakPolarHBondContact O-CB 3.27Å; L99-M103 VanDerWaalsContact O-CG 3.26Å; L99-M103 WeakPolarHBondContact O-CG 3.41Å; L99-M103 PolarHBondContact O-N 2.91Å |
| 100 | R | 98.2 | Very high | 98 | Very high | 147 Ų | 147 | 108.2 Ų | 108.2 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.5 | -46 | 173.4 | -75.3 | 171.1 | -173.2 | -94.2 | 0.9 | 111.8 | L96 E97 Q98 M103 E104 | L96-R100 WeakPolarHBondContact O-CB 3.29Å; L96-R100 VanDerWaalsContact O-CG 3.22Å; L96-R100 WeakPolarHBondContact O-CG 3.46Å; L96-R100 PolarHBondContact O-N 3.06Å; E97-R100 PolarHBondContact O-N 3.45Å; Q98-R100 VanDerWaalsContact C-N 3.3Å; Q98-R100 PolarHBondContact O-N 3.21Å; R100-M103 PolarHBondContact O-N 3.32Å; R100-E104 PolarHBondContact O-N 3.2Å |
| 101 | R | 98.8 | Very high | 97.9 | Very high | 146 Ų | 146 | 104.2 Ų | 104.2 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.7 | -42.8 | 176.3 | -75.6 | -180 | -73.4 | 138.6 | -6.7 | 111.9 | E97 Q98 E104 R105 | E97-R101 WeakPolarHBondContact O-CB 3.4Å; E97-R101 WeakPolarHBondContact O-CG 3.28Å; E97-R101 PolarHBondContact O-N 2.8Å; E97-R101 PolarHBondContact O-NE 3.36Å; Q98-R101 WeakPolarHBondContact O-CB 3.48Å; Q98-R101 PolarHBondContact O-N 2.82Å; Q98-R101 VanDerWaalsContact O-N 3.15Å; R101-E104 PolarHBondContact O-N 3.07Å; R101-R105 WeakPolarHBondContact O-CB 3.39Å; R101-R105 PolarHBondContact O-N 2.91Å |
| 102 | E | 98.1 | Very high | 97.8 | Very high | 81 Ų | 81 | 105.8 Ų | 105.8 | 38% | 0.379 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 177.5 | -74.6 | -179.9 | -166.1 | 0 | 0 | 112.1 | Q98 L99 E104 R105 V106 | Q98-E102 HydrophobicContact CG-CG 4.49Å; Q98-E102 PolarHBondContact NE2-OE1 2.82Å; Q98-E102 WeakPolarHBondContact O-CG 3.3Å; Q98-E102 PolarHBondContact O-N 3.46Å; L99-E102 PolarHBondContact O-N 3.3Å; E102-E104 VanDerWaalsContact C-N 3.34Å; E102-E104 PolarHBondContact O-N 3.17Å; E102-R105 WeakPolarHBondContact O-CB 3.42Å; E102-R105 PolarHBondContact O-N 3.11Å; E102-V106 WeakPolarHBondContact O-CG2 3.19Å; E102-V106 PolarHBondContact O-N 3.31Å |
| 103 | M | 97.6 | Very high | 97.6 | Very high | 135 Ų | 135 | 101.4 Ų | 101.4 | 67% | 0.665 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.2 | -45.2 | 174.8 | -77.2 | -64.4 | -61.2 | 0 | 0 | 111.8 | L99 R100 V106 K107 | L99-M103 WeakPolarHBondContact O-CB 3.27Å; L99-M103 VanDerWaalsContact O-CG 3.26Å; L99-M103 WeakPolarHBondContact O-CG 3.41Å; L99-M103 PolarHBondContact O-N 2.91Å; R100-M103 PolarHBondContact O-N 3.32Å; M103-V106 PolarHBondContact O-N 3.03Å; M103-K107 VanDerWaalsContact O-CB 3.25Å; M103-K107 WeakPolarHBondContact O-CB 3.47Å; M103-K107 PolarHBondContact O-N 2.97Å |
| 104 | E | 98.4 | Very high | 97.2 | Very high | 86 Ų | 86 | 105.4 Ų | 105.4 | 40% | 0.402 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.5 | -35.2 | 177.2 | -79.6 | -61.8 | 135.9 | 0 | 0 | 112.8 | R100 R101 E102 K107 K108 | R100-E104 PolarHBondContact O-N 3.2Å; R101-E104 PolarHBondContact O-N 3.07Å; E102-E104 VanDerWaalsContact C-N 3.34Å; E102-E104 PolarHBondContact O-N 3.17Å; E104-K107 IonicContact OE1-NZ 3.03Å; E104-K107 PolarHBondContact OE1-NZ 2.96Å; E104-K108 WeakPolarHBondContact O-CB 3.33Å; E104-K108 VanDerWaalsContact O-CG 3.27Å; E104-K108 WeakPolarHBondContact O-CG 3.35Å; E104-K108 PolarHBondContact O-N 2.8Å |
| 105 | R | 98.4 | Very high | 97 | Very high | 122 Ų | 122 | 103.8 Ų | 103.8 | 46% | 0.46 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.3 | -52.3 | 172.5 | -175.8 | -170.5 | 65 | 75.7 | 3.8 | 110.8 | R101 E102 K107 K108 E109 | R101-R105 WeakPolarHBondContact O-CB 3.39Å; R101-R105 PolarHBondContact O-N 2.91Å; E102-R105 WeakPolarHBondContact O-CB 3.42Å; E102-R105 PolarHBondContact O-N 3.11Å; R105-K107 VanDerWaalsContact C-N 3.32Å; R105-K107 PolarHBondContact O-N 3.01Å; R105-K108 PolarHBondContact O-N 2.87Å; R105-E109 WeakPolarHBondContact CG-OE1 3.41Å; R105-E109 IonicContact CZ-OE1 2.81Å; R105-E109 IonicContact CZ-OE2 3.72Å; R105-E109 IonicContact NH1-OE1 3.14Å; R105-E109 PolarHBondContact NH1-OE1 2.83Å; R105-E109 IonicContact NH1-OE2 3.26Å; R105-E109 PolarHBondContact NH1-OE2 3.46Å; R105-E109 WeakPolarHBondContact O-CG 3.36Å; R105-E109 PolarHBondContact O-N 3.35Å |
| 106 | V | 97.6 | Very high | 96.7 | Very high | 73 Ų | 73 | 102.5 Ų | 102.5 | 44% | 0.442 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | -179.9 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | E102 M103 K108 E109 A110 | E102-V106 WeakPolarHBondContact O-CG2 3.19Å; E102-V106 PolarHBondContact O-N 3.31Å; M103-V106 PolarHBondContact O-N 3.03Å; V106-K108 PolarHBondContact O-N 2.75Å; V106-E109 PolarHBondContact O-N 3.23Å; V106-A110 WeakPolarHBondContact O-CB 3.44Å; V106-A110 PolarHBondContact O-N 2.9Å |
| 107 | K | 96.4 | Very high | 96.2 | Very high | 128 Ų | 128 | 99.8 Ų | 99.8 | 56% | 0.557 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.8 | -44.6 | 175.7 | -177.9 | -178.9 | 172.4 | -170.9 | 0 | 112.3 | M103 E104 R105 A110 A111 | M103-K107 VanDerWaalsContact O-CB 3.25Å; M103-K107 WeakPolarHBondContact O-CB 3.47Å; M103-K107 PolarHBondContact O-N 2.97Å; E104-K107 IonicContact OE1-NZ 3.03Å; E104-K107 PolarHBondContact OE1-NZ 2.96Å; R105-K107 VanDerWaalsContact C-N 3.32Å; R105-K107 PolarHBondContact O-N 3.01Å; K107-A110 PolarHBondContact O-N 3.31Å; K107-A111 WeakPolarHBondContact O-CB 3.49Å; K107-A111 PolarHBondContact O-N 3.48Å |
| 108 | K | 98.1 | Very high | 95.7 | Very high | 128 Ų | 128 | 97.3 Ų | 97.3 | 56% | 0.557 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 175.7 | -74.6 | 171.5 | -175.8 | 175.2 | 0 | 111.8 | E104 R105 V106 A111 K112 | E104-K108 WeakPolarHBondContact O-CB 3.33Å; E104-K108 VanDerWaalsContact O-CG 3.27Å; E104-K108 WeakPolarHBondContact O-CG 3.35Å; E104-K108 PolarHBondContact O-N 2.8Å; R105-K108 PolarHBondContact O-N 2.87Å; V106-K108 PolarHBondContact O-N 2.75Å; K108-A111 PolarHBondContact O-N 3.44Å; K108-K112 VanDerWaalsContact O-CG 3.3Å; K108-K112 WeakPolarHBondContact O-CG 3.26Å; K108-K112 PolarHBondContact O-N 3.27Å |
| 109 | E | 96.9 | Very high | 95.3 | Very high | 96 Ų | 96 | 99.5 Ų | 99.5 | 45% | 0.449 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 176.9 | -74.8 | 170.1 | -168.9 | 0 | 0 | 111.9 | R105 V106 A111 K112 A113 | R105-E109 WeakPolarHBondContact CG-OE1 3.41Å; R105-E109 IonicContact CZ-OE1 2.81Å; R105-E109 IonicContact CZ-OE2 3.72Å; R105-E109 IonicContact NH1-OE1 3.14Å; R105-E109 PolarHBondContact NH1-OE1 2.83Å; R105-E109 IonicContact NH1-OE2 3.26Å; R105-E109 PolarHBondContact NH1-OE2 3.46Å; R105-E109 WeakPolarHBondContact O-CG 3.36Å; R105-E109 PolarHBondContact O-N 3.35Å; V106-E109 PolarHBondContact O-N 3.23Å; E109-A111 PolarHBondContact O-N 3.38Å; E109-K112 PolarHBondContact O-N 3.33Å; E109-A113 WeakPolarHBondContact O-CB 3.5Å; E109-A113 PolarHBondContact O-N 3.05Å |
| 110 | A | 95.4 | Very high | 94.7 | Very high | 46 Ų | 46 | 98.9 Ų | 98.9 | 38% | 0.38 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V106 K107 K112 A113 Q114 | V106-A110 WeakPolarHBondContact O-CB 3.44Å; V106-A110 PolarHBondContact O-N 2.9Å; K107-A110 PolarHBondContact O-N 3.31Å; A110-K112 PolarHBondContact O-N 3.46Å; A110-A113 PolarHBondContact O-N 3Å; A110-Q114 WeakPolarHBondContact O-CB 3.44Å; A110-Q114 VanDerWaalsContact O-CG 3.3Å; A110-Q114 WeakPolarHBondContact O-CG 3.47Å; A110-Q114 PolarHBondContact O-N 2.96Å |
| 111 | A | 95.8 | Very high | 94.1 | Very high | 51 Ų | 51 | 93.9 Ų | 93.9 | 42% | 0.421 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K107 K108 E109 Q114 L115 | K107-A111 WeakPolarHBondContact O-CB 3.49Å; K107-A111 PolarHBondContact O-N 3.48Å; K108-A111 PolarHBondContact O-N 3.44Å; E109-A111 PolarHBondContact O-N 3.38Å; A111-Q114 PolarHBondContact O-N 2.84Å; A111-L115 WeakPolarHBondContact O-CB 3.38Å; A111-L115 PolarHBondContact O-N 3.48Å |
| 112 | K | 96.6 | Very high | 93.4 | Very high | 153 Ų | 153 | 88.1 Ų | 88.1 | 67% | 0.665 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.3 | -44.1 | 174.1 | -74.7 | 174.6 | -177.9 | -178.4 | 0 | 111.6 | K108 E109 A110 L115 Q116 | K108-K112 VanDerWaalsContact O-CG 3.3Å; K108-K112 WeakPolarHBondContact O-CG 3.26Å; K108-K112 PolarHBondContact O-N 3.27Å; E109-K112 PolarHBondContact O-N 3.33Å; A110-K112 PolarHBondContact O-N 3.46Å; K112-L115 PolarHBondContact O-N 3.26Å; K112-Q116 WeakPolarHBondContact O-CB 3.44Å; K112-Q116 PolarHBondContact O-N 2.67Å |
| 113 | A | 93.9 | Very high | 93 | Very high | 60 Ų | 60 | 86.6 Ų | 86.6 | 50% | 0.496 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | E109 A110 Q116 A117 | E109-A113 WeakPolarHBondContact O-CB 3.5Å; E109-A113 PolarHBondContact O-N 3.05Å; A110-A113 PolarHBondContact O-N 3Å; A113-Q116 PolarHBondContact O-N 3.19Å; A113-A117 WeakPolarHBondContact O-CB 3.49Å; A113-A117 PolarHBondContact O-N 3.28Å |
| 114 | Q | 89.8 | Confident | 92.4 | Very high | 142 Ų | 142 | 82.6 Ų | 82.6 | 66% | 0.664 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -62.3 | -46.8 | 174.5 | -75.2 | 173.3 | -19.1 | 0 | 0 | 111.8 | A110 A111 Q116 A117 L118 | A110-Q114 WeakPolarHBondContact O-CB 3.44Å; A110-Q114 VanDerWaalsContact O-CG 3.3Å; A110-Q114 WeakPolarHBondContact O-CG 3.47Å; A110-Q114 PolarHBondContact O-N 2.96Å; A111-Q114 PolarHBondContact O-N 2.84Å; Q114-Q116 VanDerWaalsContact C-N 3.32Å; Q114-Q116 PolarHBondContact O-N 2.87Å; Q114-A117 PolarHBondContact O-N 3.22Å; Q114-L118 PolarHBondContact O-N 2.94Å |
| 115 | L | 94.2 | Very high | 91.8 | Very high | 85 Ų | 85 | 78.8 Ų | 78.8 | 45% | 0.445 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 177.1 | 179.2 | 61.3 | 0 | 0 | 0 | 111.7 | A111 K112 L118 R119 | A111-L115 WeakPolarHBondContact O-CB 3.38Å; A111-L115 PolarHBondContact O-N 3.48Å; K112-L115 PolarHBondContact O-N 3.26Å; L115-L118 PolarHBondContact O-N 3.01Å; L115-R119 WeakPolarHBondContact O-CG 3.41Å; L115-R119 PolarHBondContact O-N 3.45Å |
| 116 | Q | 92.6 | Very high | 91.3 | Very high | 88 Ų | 88 | 76.4 Ų | 76.4 | 41% | 0.411 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.1 | -45.3 | 177.5 | -172.6 | 57.8 | 46.4 | 0 | 0 | 111.4 | K112 A113 Q114 L118 R119 D120 | K112-Q116 WeakPolarHBondContact O-CB 3.44Å; K112-Q116 PolarHBondContact O-N 2.67Å; A113-Q116 PolarHBondContact O-N 3.19Å; Q114-Q116 VanDerWaalsContact C-N 3.32Å; Q114-Q116 PolarHBondContact O-N 2.87Å; Q116-L118 VanDerWaalsContact C-N 3.28Å; Q116-L118 PolarHBondContact O-N 2.94Å; Q116-R119 WeakPolarHBondContact O-CB 3.37Å; Q116-R119 PolarHBondContact O-N 2.96Å; Q116-R119 VanDerWaalsContact O-N 3.12Å; Q116-D120 PolarHBondContact NE2-OD1 3.03Å; Q116-D120 VanDerWaalsContact O-CG 3.25Å; Q116-D120 PolarHBondContact O-N 3.27Å |
| 117 | A | 87.8 | Confident | 90.7 | Very high | 33 Ų | 33 | 80.9 Ų | 80.9 | 27% | 0.273 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A113 Q114 D120 E121 | A113-A117 WeakPolarHBondContact O-CB 3.49Å; A113-A117 PolarHBondContact O-N 3.28Å; Q114-A117 PolarHBondContact O-N 3.22Å; A117-D120 PolarHBondContact O-N 3.33Å; A117-E121 WeakPolarHBondContact O-CB 3.34Å; A117-E121 WeakPolarHBondContact O-CG 3.13Å; A117-E121 PolarHBondContact O-N 3.43Å |
| 118 | L | 88.5 | Confident | 90.1 | Very high | 46 Ų | 46 | 78.2 Ų | 78.2 | 24% | 0.241 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 175.8 | 178.9 | 60.1 | 0 | 0 | 0 | 112.1 | Q114 L115 Q116 D120 E121 I122 L190 | Q114-L118 PolarHBondContact O-N 2.94Å; L115-L118 PolarHBondContact O-N 3.01Å; Q116-L118 VanDerWaalsContact C-N 3.28Å; Q116-L118 PolarHBondContact O-N 2.94Å; L118-D120 VanDerWaalsContact C-N 3.32Å; L118-D120 PolarHBondContact O-N 3.29Å; L118-E121 PolarHBondContact O-N 3.45Å; L118-I122 HydrophobicContact CD1-CD1 4.17Å; L118-I122 HydrophobicContact CD1-CG1 4.36Å; L118-I122 HydrophobicContact CG-CD1 4.08Å; L118-I122 WeakPolarHBondContact O-CG1 3.49Å; L118-I122 PolarHBondContact O-N 2.94Å; L118-L190 HydrophobicContact CD1-CB 4.32Å; L118-L190 WeakPolarHBondContact CD1-O 3.44Å |
| 119 | R | 89.5 | Confident | 89.7 | Confident | 140 Ų | 140 | 74.8 Ų | 74.8 | 53% | 0.528 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 175.4 | -73.9 | 173.3 | 179.1 | 165.5 | -2.1 | 111.7 | L115 Q116 I122 A123 | L115-R119 WeakPolarHBondContact O-CG 3.41Å; L115-R119 PolarHBondContact O-N 3.45Å; Q116-R119 WeakPolarHBondContact O-CB 3.37Å; Q116-R119 PolarHBondContact O-N 2.96Å; Q116-R119 VanDerWaalsContact O-N 3.12Å; R119-I122 PolarHBondContact O-N 2.65Å; R119-A123 WeakPolarHBondContact O-CB 3.44Å; R119-A123 PolarHBondContact O-N 3.31Å |
| 120 | D | 85.3 | Confident | 89.2 | Confident | 91 Ų | 91 | 73.9 Ų | 73.9 | 49% | 0.487 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.2 | -39.5 | 179.1 | -62.9 | -20.1 | 0 | 0 | 0 | 111.3 | Q116 A117 L118 A123 A124 | Q116-D120 PolarHBondContact NE2-OD1 3.03Å; Q116-D120 VanDerWaalsContact O-CG 3.25Å; Q116-D120 PolarHBondContact O-N 3.27Å; A117-D120 PolarHBondContact O-N 3.33Å; L118-D120 VanDerWaalsContact C-N 3.32Å; L118-D120 PolarHBondContact O-N 3.29Å; D120-A123 PolarHBondContact O-N 3.03Å; D120-A124 WeakPolarHBondContact O-CB 3.46Å; D120-A124 PolarHBondContact O-N 3.44Å |
| 121 | E | 86 | Confident | 88.8 | Confident | 41 Ų | 41 | 73.3 Ų | 73.3 | 19% | 0.192 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 173.7 | -74.9 | 177.2 | -166.6 | 0 | 0 | 111.5 | A117 L118 A124 V125 R266 | A117-E121 WeakPolarHBondContact O-CB 3.34Å; A117-E121 WeakPolarHBondContact O-CG 3.13Å; A117-E121 PolarHBondContact O-N 3.43Å; L118-E121 PolarHBondContact O-N 3.45Å; E121-A124 PolarHBondContact O-N 3.27Å; E121-V125 WeakPolarHBondContact O-CG2 3.28Å; E121-V125 PolarHBondContact O-N 3.1Å; E121-V125 VanDerWaalsContact O-N 3.13Å; E121-R266 IonicContact OE1-CZ 3.14Å; E121-R266 IonicContact OE1-NH1 3.43Å; E121-R266 IonicContact OE1-NH2 3.73Å; E121-R266 PolarHBondContact OE1-NH2 3.41Å; E121-R266 VanDerWaalsContact OE1-NH2 3.08Å |
| 122 | I | 85.5 | Confident | 88.3 | Confident | 25 Ų | 25 | 70.9 Ų | 70.9 | 13% | 0.128 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.4 | -50.4 | 175.3 | -71 | 169.6 | 0 | 0 | 0 | 110.6 | L118 R119 A124 V125 E126 L187 L190 Q191 | L118-I122 HydrophobicContact CD1-CD1 4.17Å; L118-I122 HydrophobicContact CD1-CG1 4.36Å; L118-I122 HydrophobicContact CG-CD1 4.08Å; L118-I122 WeakPolarHBondContact O-CG1 3.49Å; L118-I122 PolarHBondContact O-N 2.94Å; R119-I122 PolarHBondContact O-N 2.65Å; I122-A124 VanDerWaalsContact C-N 3.26Å; I122-A124 PolarHBondContact O-N 3.47Å; I122-V125 PolarHBondContact O-N 2.96Å; I122-V125 VanDerWaalsContact O-N 3.11Å; I122-E126 HydrophobicContact CG2-CG 4.35Å; I122-E126 WeakPolarHBondContact O-CG 3.33Å; I122-E126 PolarHBondContact O-N 3.15Å; I122-L187 HydrophobicContact CG2-CD2 4.02Å; I122-L190 HydrophobicContact CD1-CB 4.48Å; I122-L190 HydrophobicContact CG1-CB 3.94Å; I122-L190 HydrophobicContact CG1-CD1 4.27Å; I122-Q191 HydrophobicContact CD1-CG 3.92Å |
| 123 | A | 88.4 | Confident | 87.9 | Confident | 49 Ų | 49 | 64.6 Ų | 64.6 | 41% | 0.405 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.9 | -35.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R119 D120 K127 | R119-A123 WeakPolarHBondContact O-CB 3.44Å; R119-A123 PolarHBondContact O-N 3.31Å; D120-A123 PolarHBondContact O-N 3.03Å; A123-K127 WeakPolarHBondContact O-CB 3.37Å; A123-K127 PolarHBondContact O-N 2.87Å |
| 124 | A | 84.8 | Confident | 87.7 | Confident | 52 Ų | 52 | 65.1 Ų | 65.1 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D120 E121 I122 K127 Q128 | D120-A124 WeakPolarHBondContact O-CB 3.46Å; D120-A124 PolarHBondContact O-N 3.44Å; E121-A124 PolarHBondContact O-N 3.27Å; I122-A124 VanDerWaalsContact C-N 3.26Å; I122-A124 PolarHBondContact O-N 3.47Å; A124-K127 PolarHBondContact O-N 3.45Å; A124-Q128 PolarHBondContact O-N 2.98Å |
| 125 | V | 87 | Confident | 87.7 | Confident | 5 Ų | 5 | 65.4 Ų | 65.4 | 3% | 0.03 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 176.8 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | E121 I122 Q128 R129 F183 V186 L187 L190 L196 I202 | E121-V125 WeakPolarHBondContact O-CG2 3.28Å; E121-V125 PolarHBondContact O-N 3.1Å; E121-V125 VanDerWaalsContact O-N 3.13Å; I122-V125 PolarHBondContact O-N 2.96Å; I122-V125 VanDerWaalsContact O-N 3.11Å; V125-Q128 WeakPolarHBondContact O-CB 3.37Å; V125-Q128 PolarHBondContact O-N 3.31Å; V125-R129 PolarHBondContact O-N 3.08Å; V125-F183 HydrophobicContact CG1-CD1 3.97Å; V125-F183 HydrophobicContact CG1-CE1 4.42Å; V125-V186 HydrophobicContact CG1-CG1 4.17Å; V125-L187 HydrophobicContact CB-CD2 3.88Å; V125-L187 HydrophobicContact CG1-CD2 3.66Å; V125-L187 HydrophobicContact CG1-CG 3.96Å; V125-L190 HydrophobicContact CB-CD1 4.49Å; V125-L190 HydrophobicContact CG2-CD1 3.96Å; V125-L196 HydrophobicContact CG2-CD1 3.9Å; V125-I202 HydrophobicContact CG1-CD1 4.48Å |
| 126 | E | 87.2 | Confident | 87.5 | Confident | 73 Ų | 73 | 61.6 Ų | 61.6 | 34% | 0.341 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 174 | -70.7 | -179.1 | 141.9 | 0 | 0 | 111.5 | I122 Q128 R129 D130 L187 | I122-E126 HydrophobicContact CG2-CG 4.35Å; I122-E126 WeakPolarHBondContact O-CG 3.33Å; I122-E126 PolarHBondContact O-N 3.15Å; E126-Q128 VanDerWaalsContact C-N 3.27Å; E126-Q128 PolarHBondContact O-N 3.26Å; E126-R129 WeakPolarHBondContact O-CB 3.38Å; E126-R129 PolarHBondContact O-N 3.41Å; E126-D130 PolarHBondContact O-N 3.25Å; E126-L187 HydrophobicContact CG-CD1 3.99Å; E126-L187 HydrophobicContact CG-CD2 3.71Å |
| 127 | K | 85.1 | Confident | 87.4 | Confident | 166 Ų | 166 | 61.6 Ų | 61.6 | 72% | 0.722 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62 | -36.8 | 175.6 | -172.2 | 176.4 | -178.1 | 178.6 | 0 | 112.1 | A123 A124 G131 | A123-K127 WeakPolarHBondContact O-CB 3.37Å; A123-K127 PolarHBondContact O-N 2.87Å; A124-K127 PolarHBondContact O-N 3.45Å; K127-G131 PolarHBondContact O-N 3.46Å |
| 128 | Q | 84.5 | Confident | 87.5 | Confident | 73 Ų | 73 | 62 Ų | 62 | 34% | 0.341 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.3 | -45 | 175 | -173.2 | -173.8 | -2.2 | 0 | 0 | 111.5 | A124 V125 E126 G131 A132 F183 | A124-Q128 PolarHBondContact O-N 2.98Å; V125-Q128 WeakPolarHBondContact O-CB 3.37Å; V125-Q128 PolarHBondContact O-N 3.31Å; E126-Q128 VanDerWaalsContact C-N 3.27Å; E126-Q128 PolarHBondContact O-N 3.26Å; Q128-G131 PolarHBondContact O-N 3.25Å; Q128-A132 WeakPolarHBondContact O-CB 3.45Å; Q128-A132 PolarHBondContact O-N 2.94Å; Q128-F183 HydrophobicContact CB-CE1 4.15Å; Q128-F183 HydrophobicContact CG-CE1 3.97Å; Q128-F183 HydrophobicContact CG-CZ 3.98Å |
| 129 | R | 88.6 | Confident | 87.8 | Confident | 56 Ų | 56 | 60.5 Ų | 60.5 | 21% | 0.211 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.2 | -54 | 173.6 | 177.9 | -161.3 | 67.1 | -154.7 | -6.9 | 110 | V125 E126 G131 A132 M133 F183 | V125-R129 PolarHBondContact O-N 3.08Å; E126-R129 WeakPolarHBondContact O-CB 3.38Å; E126-R129 PolarHBondContact O-N 3.41Å; R129-G131 VanDerWaalsContact C-N 3.33Å; R129-G131 PolarHBondContact O-N 2.67Å; R129-A132 PolarHBondContact O-N 3.34Å; R129-A132 VanDerWaalsContact O-N 3.11Å; R129-M133 HydrophobicContact CG-CG 4.23Å; R129-M133 VanDerWaalsContact O-CG 3.27Å; R129-M133 WeakPolarHBondContact O-CG 3.39Å; R129-M133 PolarHBondContact O-N 3Å; R129-F183 HydrophobicContact CB-CB 4.15Å; R129-F183 HydrophobicContact CB-CD1 3.69Å; R129-F183 HydrophobicContact CB-CD2 3.95Å; R129-F183 HydrophobicContact CB-CE1 4.02Å; R129-F183 HydrophobicContact CB-CE2 4.24Å; R129-F183 HydrophobicContact CB-CG 3.68Å; R129-F183 HydrophobicContact CB-CZ 4.29Å; R129-F183 HydrophobicContact CG-CB 3.94Å; R129-F183 HydrophobicContact CG-CD1 4.37Å; R129-F183 HydrophobicContact CG-CD2 3.9Å; R129-F183 HydrophobicContact CG-CG 3.83Å |
| 130 | D | 86.4 | Confident | 87.9 | Confident | 76 Ų | 76 | 54.8 Ų | 54.8 | 41% | 0.406 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | -175 | -62.9 | -12.8 | 0 | 0 | 0 | 111.7 | E126 S134 | E126-D130 PolarHBondContact O-N 3.25Å; D130-S134 VanDerWaalsContact O-CB 3.27Å; D130-S134 WeakPolarHBondContact O-CB 3.47Å; D130-S134 PolarHBondContact O-N 3.08Å; D130-S134 PolarHBondContact O-OG 3.25Å |
| 131 | G | 86.6 | Confident | 88.2 | Confident | 34 Ų | 34 | 56.8 Ų | 56.8 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K127 Q128 R129 R135 | K127-G131 PolarHBondContact O-N 3.46Å; Q128-G131 PolarHBondContact O-N 3.25Å; R129-G131 VanDerWaalsContact C-N 3.33Å; R129-G131 PolarHBondContact O-N 2.67Å; G131-R135 WeakPolarHBondContact O-CG 3.48Å; G131-R135 PolarHBondContact O-N 3.24Å |
| 132 | A | 85.4 | Confident | 88.5 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.2 | -46.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q128 R129 R135 I136 L179 F183 V204 | Q128-A132 WeakPolarHBondContact O-CB 3.45Å; Q128-A132 PolarHBondContact O-N 2.94Å; R129-A132 PolarHBondContact O-N 3.34Å; R129-A132 VanDerWaalsContact O-N 3.11Å; A132-R135 PolarHBondContact O-N 3.4Å; A132-I136 WeakPolarHBondContact O-CG1 3.37Å; A132-I136 PolarHBondContact O-N 2.97Å; A132-I136 VanDerWaalsContact O-N 3.08Å; A132-L179 HydrophobicContact CB-CD2 4.2Å; A132-F183 HydrophobicContact CB-CE2 4.23Å; A132-F183 HydrophobicContact CB-CZ 4.46Å; A132-V204 HydrophobicContact CB-CG1 4.12Å; A132-V204 HydrophobicContact CB-CG2 4.24Å |
| 133 | M | 88.9 | Confident | 88.7 | Confident | 21 Ų | 21 | 58.5 Ų | 58.5 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 178.1 | -65.1 | -59.8 | -83.9 | 0 | 0 | 111.1 | R129 R135 I136 E137 Q176 Q180 | R129-M133 HydrophobicContact CG-CG 4.23Å; R129-M133 VanDerWaalsContact O-CG 3.27Å; R129-M133 WeakPolarHBondContact O-CG 3.39Å; R129-M133 PolarHBondContact O-N 3Å; M133-R135 VanDerWaalsContact C-N 3.31Å; M133-R135 PolarHBondContact O-N 2.9Å; M133-I136 PolarHBondContact O-N 3Å; M133-E137 WeakPolarHBondContact O-CB 3.36Å; M133-E137 WeakPolarHBondContact O-CG 3.4Å; M133-E137 PolarHBondContact O-N 3.36Å; M133-Q176 HydrophobicContact CE-CG 3.82Å; M133-Q176 HydrophobicContact SD-CG 3.91Å; M133-Q180 HydrophobicContact CE-CB 4.18Å; M133-Q180 HydrophobicContact CE-CG 4.21Å; M133-Q180 HydrophobicContact SD-CB 4.43Å |
| 134 | S | 90.5 | Very high | 88.9 | Confident | 71 Ų | 71 | 58.3 Ų | 58.3 | 50% | 0.497 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 177.5 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | D130 A138 | D130-S134 VanDerWaalsContact O-CB 3.27Å; D130-S134 WeakPolarHBondContact O-CB 3.47Å; D130-S134 PolarHBondContact O-N 3.08Å; D130-S134 PolarHBondContact O-OG 3.25Å; S134-A138 WeakPolarHBondContact O-CB 3.46Å; S134-A138 PolarHBondContact O-N 3.2Å |
| 135 | R | 89.1 | Confident | 89.2 | Confident | 149 Ų | 149 | 62 Ų | 62 | 56% | 0.562 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.1 | -43.3 | 176.2 | -75.7 | -174 | -60.6 | -151.6 | 0.8 | 112.2 | G131 A132 M133 A138 W139 | G131-R135 WeakPolarHBondContact O-CG 3.48Å; G131-R135 PolarHBondContact O-N 3.24Å; A132-R135 PolarHBondContact O-N 3.4Å; M133-R135 VanDerWaalsContact C-N 3.31Å; M133-R135 PolarHBondContact O-N 2.9Å; R135-A138 PolarHBondContact O-N 2.88Å; R135-W139 WeakPolarHBondContact O-CB 3.36Å; R135-W139 PolarHBondContact O-N 3.38Å |
| 136 | I | 89.4 | Confident | 89.3 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 177.5 | -66 | 169.3 | 0 | 0 | 0 | 110.4 | A132 M133 W139 L140 V172 Q176 L179 L207 | A132-I136 WeakPolarHBondContact O-CG1 3.37Å; A132-I136 PolarHBondContact O-N 2.97Å; A132-I136 VanDerWaalsContact O-N 3.08Å; M133-I136 PolarHBondContact O-N 3Å; I136-W139 WeakPolarHBondContact O-CB 3.34Å; I136-W139 PolarHBondContact O-N 2.85Å; I136-L140 HydrophobicContact CG2-CD1 3.99Å; I136-L140 HydrophobicContact CG2-CG 4.3Å; I136-L140 WeakPolarHBondContact O-CG 3.41Å; I136-L140 PolarHBondContact O-N 2.82Å; I136-V172 HydrophobicContact CG2-CG1 3.73Å; I136-Q176 HydrophobicContact CD1-CB 4.33Å; I136-Q176 HydrophobicContact CD1-CG 4.28Å; I136-Q176 HydrophobicContact CG2-CB 4.01Å; I136-Q176 HydrophobicContact CG2-CG 3.92Å; I136-L179 HydrophobicContact CD1-CD2 3.97Å; I136-L207 HydrophobicContact CG1-CD1 4.04Å; I136-L207 HydrophobicContact CG1-CD2 4.27Å |
| 137 | E | 90.9 | Very high | 89.4 | Confident | 88 Ų | 88 | 60 Ų | 60 | 41% | 0.411 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 177.9 | -74.1 | 174.1 | -169.3 | 0 | 0 | 112.7 | M133 W139 L140 K141 | M133-E137 WeakPolarHBondContact O-CB 3.36Å; M133-E137 WeakPolarHBondContact O-CG 3.4Å; M133-E137 PolarHBondContact O-N 3.36Å; E137-W139 VanDerWaalsContact C-N 3.35Å; E137-L140 PolarHBondContact O-N 3.2Å; E137-K141 WeakPolarHBondContact O-CG 3.49Å; E137-K141 PolarHBondContact O-N 2.88Å |
| 138 | A | 90.4 | Very high | 89.6 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 36% | 0.355 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | S134 R135 L140 K141 E142 | S134-A138 WeakPolarHBondContact O-CB 3.46Å; S134-A138 PolarHBondContact O-N 3.2Å; R135-A138 PolarHBondContact O-N 2.88Å; A138-L140 PolarHBondContact O-N 2.87Å; A138-K141 WeakPolarHBondContact O-CB 3.49Å; A138-K141 PolarHBondContact O-N 3.48Å; A138-E142 WeakPolarHBondContact O-CG 3.11Å; A138-E142 PolarHBondContact O-N 3.36Å |
| 139 | W | 93.7 | Very high | 89.8 | Confident | 13 Ų | 13 | 54.3 Ų | 54.3 | 5% | 0.049 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 176.2 | -178.7 | 87.2 | 0 | 0 | 0 | 112.9 | R135 I136 E137 K141 E142 V143 W165 V172 L207 P208 | R135-W139 WeakPolarHBondContact O-CB 3.36Å; R135-W139 PolarHBondContact O-N 3.38Å; I136-W139 WeakPolarHBondContact O-CB 3.34Å; I136-W139 PolarHBondContact O-N 2.85Å; E137-W139 VanDerWaalsContact C-N 3.35Å; W139-K141 VanDerWaalsContact C-N 3.28Å; W139-K141 PolarHBondContact O-N 3.06Å; W139-E142 PolarHBondContact O-N 2.8Å; W139-V143 HydrophobicContact CD2-CG2 3.84Å; W139-V143 HydrophobicContact CE3-CG2 3.99Å; W139-V143 HydrophobicContact CH2-CG2 3.68Å; W139-V143 HydrophobicContact CZ2-CG2 3.5Å; W139-V143 HydrophobicContact CZ3-CG2 3.9Å; W139-V143 WeakPolarHBondContact O-CG2 3.39Å; W139-V143 PolarHBondContact O-N 3.13Å; W139-W165 HydrophobicContact CZ2-CZ3 4.17Å; W139-V172 HydrophobicContact CE3-CB 4.07Å; W139-V172 HydrophobicContact CE3-CG1 3.67Å; W139-V172 HydrophobicContact CE3-CG2 4.18Å; W139-V172 HydrophobicContact CH2-CB 3.91Å; W139-V172 HydrophobicContact CH2-CG1 4.41Å; W139-V172 HydrophobicContact CH2-CG2 3.5Å; W139-V172 VanDerWaalsContact CH2-CG2 3.5Å; W139-V172 HydrophobicContact CZ2-CG2 4.14Å; W139-V172 HydrophobicContact CZ3-CB 3.44Å; W139-V172 VanDerWaalsContact CZ3-CB 3.44Å; W139-V172 HydrophobicContact CZ3-CG1 3.59Å; W139-V172 HydrophobicContact CZ3-CG2 3.54Å; W139-L207 HydrophobicContact CB-CD1 3.71Å; W139-L207 HydrophobicContact CD2-CD2 4.38Å; W139-L207 HydrophobicContact CG-CB 4.13Å; W139-L207 HydrophobicContact CG-CD1 3.99Å; W139-L207 HydrophobicContact CG-CD2 4.48Å; W139-L207 HydrophobicContact CG-CG 4.43Å; W139-P208 HydrophobicContact CZ2-CB 4.41Å; W139-P208 HydrophobicContact CZ2-CG 4.2Å; W139-P208 PolarHBondContact NE1-O 3.28Å |
| 140 | L | 91.2 | Very high | 89.6 | Confident | 20 Ų | 20 | 52 Ų | 52 | 11% | 0.105 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 176.2 | -74.2 | 171.5 | 0 | 0 | 0 | 111.4 | I136 E137 A138 A144 E169 V172 R173 | I136-L140 HydrophobicContact CG2-CD1 3.99Å; I136-L140 HydrophobicContact CG2-CG 4.3Å; I136-L140 WeakPolarHBondContact O-CG 3.41Å; I136-L140 PolarHBondContact O-N 2.82Å; E137-L140 PolarHBondContact O-N 3.2Å; A138-L140 PolarHBondContact O-N 2.87Å; L140-A144 VanDerWaalsContact O-CB 3.26Å; L140-A144 WeakPolarHBondContact O-CB 3.48Å; L140-A144 PolarHBondContact O-N 3.38Å; L140-E169 HydrophobicContact CD2-CG 3.71Å; L140-V172 HydrophobicContact CD2-CG1 4.4Å; L140-R173 HydrophobicContact CD1-CG 4.13Å; L140-R173 HydrophobicContact CD2-CG 3.83Å |
| 141 | K | 92.9 | Very high | 89.6 | Confident | 134 Ų | 134 | 54.5 Ų | 54.5 | 58% | 0.583 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.6 | -44 | 173.8 | -71.2 | 169.4 | -175.6 | 172.4 | 0 | 111.6 | E137 A138 W139 A144 Q145 | E137-K141 WeakPolarHBondContact O-CG 3.49Å; E137-K141 PolarHBondContact O-N 2.88Å; A138-K141 WeakPolarHBondContact O-CB 3.49Å; A138-K141 PolarHBondContact O-N 3.48Å; W139-K141 VanDerWaalsContact C-N 3.28Å; W139-K141 PolarHBondContact O-N 3.06Å; K141-A144 PolarHBondContact O-N 3.33Å; K141-Q145 VanDerWaalsContact O-CG 3.3Å; K141-Q145 WeakPolarHBondContact O-CG 3.38Å; K141-Q145 PolarHBondContact O-N 2.94Å |
| 142 | E | 91.8 | Very high | 89.6 | Confident | 102 Ų | 102 | 57.6 Ų | 57.6 | 48% | 0.477 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 176.5 | -71.5 | 173.4 | -160.7 | 0 | 0 | 111.9 | A138 W139 Q145 Y146 V210 | A138-E142 WeakPolarHBondContact O-CG 3.11Å; A138-E142 PolarHBondContact O-N 3.36Å; W139-E142 PolarHBondContact O-N 2.8Å; E142-Q145 PolarHBondContact O-N 3.01Å; E142-Y146 WeakPolarHBondContact O-CB 3.48Å; E142-Y146 PolarHBondContact O-N 3.42Å; E142-V210 HydrophobicContact CB-CG2 4.15Å |
| 143 | V | 90.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 176.7 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | W139 Q145 Y146 L147 W165 E169 V210 | W139-V143 HydrophobicContact CD2-CG2 3.84Å; W139-V143 HydrophobicContact CE3-CG2 3.99Å; W139-V143 HydrophobicContact CH2-CG2 3.68Å; W139-V143 HydrophobicContact CZ2-CG2 3.5Å; W139-V143 HydrophobicContact CZ3-CG2 3.9Å; W139-V143 WeakPolarHBondContact O-CG2 3.39Å; W139-V143 PolarHBondContact O-N 3.13Å; V143-Q145 VanDerWaalsContact C-N 3.32Å; V143-Q145 PolarHBondContact O-N 3.36Å; V143-Y146 PolarHBondContact O-N 3.4Å; V143-L147 HydrophobicContact CG1-CD1 3.81Å; V143-L147 HydrophobicContact CG1-CG 4.15Å; V143-L147 WeakPolarHBondContact O-CB 3.4Å; V143-L147 VanDerWaalsContact O-CG 3.32Å; V143-L147 WeakPolarHBondContact O-CG 3.49Å; V143-L147 PolarHBondContact O-N 3.12Å; V143-W165 HydrophobicContact CG2-CE3 4.31Å; V143-W165 HydrophobicContact CG2-CZ3 4.41Å; V143-E169 HydrophobicContact CG1-CB 4.01Å; V143-E169 HydrophobicContact CG1-CG 4.01Å; V143-V210 HydrophobicContact CG2-CG1 4.36Å; V143-V210 HydrophobicContact CG2-CG2 3.45Å; V143-V210 VanDerWaalsContact CG2-CG2 3.45Å |
| 144 | A | 91.9 | Very high | 88.9 | Confident | 45 Ų | 45 | 63.7 Ų | 63.7 | 37% | 0.372 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L140 K141 N148 | L140-A144 VanDerWaalsContact O-CB 3.26Å; L140-A144 WeakPolarHBondContact O-CB 3.48Å; L140-A144 PolarHBondContact O-N 3.38Å; K141-A144 PolarHBondContact O-N 3.33Å; A144-N148 VanDerWaalsContact O-CB 3.3Å; A144-N148 WeakPolarHBondContact O-CB 3.48Å; A144-N148 PolarHBondContact O-N 3.07Å |
| 145 | Q | 91.6 | Very high | 88.2 | Confident | 130 Ų | 130 | 63.8 Ų | 63.8 | 61% | 0.607 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.5 | -47.9 | 173.9 | -72.5 | 170.7 | 4.7 | 0 | 0 | 111.3 | K141 E142 V143 L147 N148 T149 | K141-Q145 VanDerWaalsContact O-CG 3.3Å; K141-Q145 WeakPolarHBondContact O-CG 3.38Å; K141-Q145 PolarHBondContact O-N 2.94Å; E142-Q145 PolarHBondContact O-N 3.01Å; V143-Q145 VanDerWaalsContact C-N 3.32Å; V143-Q145 PolarHBondContact O-N 3.36Å; Q145-L147 PolarHBondContact O-N 3.33Å; Q145-N148 WeakPolarHBondContact O-CB 3.23Å; Q145-N148 PolarHBondContact O-N 3.42Å; Q145-N148 VanDerWaalsContact O-N 3.15Å; Q145-T149 PolarHBondContact O-N 2.91Å; Q145-T149 PolarHBondContact O-OG1 3.04Å |
| 146 | Y | 88.9 | Confident | 87.6 | Confident | 29 Ų | 29 | 64.8 Ų | 64.8 | 11% | 0.114 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.8 | -49 | 177.7 | 174.8 | -100.2 | 0 | 0 | 0 | 112.6 | E142 V143 N148 T149 L150 W165 V210 P211 V213 | E142-Y146 WeakPolarHBondContact O-CB 3.48Å; E142-Y146 PolarHBondContact O-N 3.42Å; V143-Y146 PolarHBondContact O-N 3.4Å; Y146-N148 VanDerWaalsContact C-N 3.27Å; Y146-N148 PolarHBondContact O-N 2.91Å; Y146-T149 PolarHBondContact O-N 2.86Å; Y146-L150 HydrophobicContact CD1-CD1 4.11Å; Y146-L150 HydrophobicContact CE1-CD1 3.41Å; Y146-L150 VanDerWaalsContact CE1-CD1 3.41Å; Y146-L150 HydrophobicContact CE1-CG 4.17Å; Y146-L150 HydrophobicContact CE2-CD1 4.42Å; Y146-L150 HydrophobicContact CE2-CG 4.46Å; Y146-L150 PolarHBondContact O-N 3.23Å; Y146-W165 HydrophobicContact CD1-CG 4.29Å; Y146-W165 HydrophobicContact CE1-CB 4.43Å; Y146-W165 AromaticContact CE1-CD1 3.53Å; Y146-W165 HydrophobicContact CE1-CD2 4.3Å; Y146-W165 AromaticContact CE1-CG 3.84Å; Y146-W165 HydrophobicContact CE1-CG 3.84Å; Y146-W165 AromaticContact CE1-NE1 3.83Å; Y146-V210 HydrophobicContact CD2-CG1 4.35Å; Y146-V210 HydrophobicContact CG-CG1 3.98Å; Y146-P211 WeakPolarHBondContact CD2-O 3.49Å; Y146-P211 HydrophobicContact CE2-CB 4.18Å; Y146-P211 WeakPolarHBondContact CE2-O 3.46Å; Y146-V213 HydrophobicContact CD2-CG2 3.63Å; Y146-V213 HydrophobicContact CE2-CG2 3.43Å; Y146-V213 VanDerWaalsContact CE2-CG2 3.43Å |
| 147 | L | 89.1 | Confident | 86.8 | Confident | 7 Ų | 7 | 71.3 Ų | 71.3 | 4% | 0.037 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.2 | -35.2 | 177 | -72.4 | 174.3 | 0 | 0 | 0 | 112 | V143 Q145 R151 R162 W165 E166 | V143-L147 HydrophobicContact CG1-CD1 3.81Å; V143-L147 HydrophobicContact CG1-CG 4.15Å; V143-L147 WeakPolarHBondContact O-CB 3.4Å; V143-L147 VanDerWaalsContact O-CG 3.32Å; V143-L147 WeakPolarHBondContact O-CG 3.49Å; V143-L147 PolarHBondContact O-N 3.12Å; Q145-L147 PolarHBondContact O-N 3.33Å; L147-R151 WeakPolarHBondContact O-CB 3.36Å; L147-R151 PolarHBondContact O-N 2.78Å; L147-R151 VanDerWaalsContact O-N 3.08Å; L147-R162 HydrophobicContact CD2-CG 3.75Å; L147-W165 HydrophobicContact CD2-CB 3.69Å; L147-W165 HydrophobicContact CG-CB 4.41Å; L147-E166 HydrophobicContact CD1-CG 3.88Å; L147-E166 HydrophobicContact CD2-CG 4.04Å |
| 148 | N | 89.2 | Confident | 86.2 | Confident | 84 Ų | 84 | 71.2 Ų | 71.2 | 45% | 0.449 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.3 | -44 | 175.5 | -170.5 | 62.2 | 0 | 0 | 0 | 111.9 | A144 Q145 Y146 L150 R151 V152 | A144-N148 VanDerWaalsContact O-CB 3.3Å; A144-N148 WeakPolarHBondContact O-CB 3.48Å; A144-N148 PolarHBondContact O-N 3.07Å; Q145-N148 WeakPolarHBondContact O-CB 3.23Å; Q145-N148 PolarHBondContact O-N 3.42Å; Q145-N148 VanDerWaalsContact O-N 3.15Å; Y146-N148 VanDerWaalsContact C-N 3.27Å; Y146-N148 PolarHBondContact O-N 2.91Å; N148-L150 PolarHBondContact O-N 2.96Å; N148-R151 WeakPolarHBondContact O-CB 3.33Å; N148-R151 PolarHBondContact O-N 2.95Å; N148-R151 VanDerWaalsContact O-N 3.1Å; N148-V152 WeakPolarHBondContact O-CG2 3.36Å; N148-V152 PolarHBondContact O-N 3.48Å |
| 149 | T | 88.1 | Confident | 85.7 | Confident | 35 Ų | 35 | 73.8 Ų | 73.8 | 22% | 0.215 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.2 | -48.3 | 174.2 | -59.3 | 0 | 0 | 0 | 0 | 111.1 | Q145 Y146 R151 V152 E153 V213 | Q145-T149 PolarHBondContact O-N 2.91Å; Q145-T149 PolarHBondContact O-OG1 3.04Å; Y146-T149 PolarHBondContact O-N 2.86Å; T149-R151 PolarHBondContact O-N 3.44Å; T149-V152 PolarHBondContact O-N 3.46Å; T149-E153 HydrophobicContact CG2-CG 4.35Å; T149-E153 WeakPolarHBondContact O-CB 3.02Å; T149-E153 PolarHBondContact O-N 2.71Å; T149-V213 HydrophobicContact CG2-CB 4.38Å; T149-V213 HydrophobicContact CG2-CG1 4.38Å; T149-V213 HydrophobicContact CG2-CG2 4.27Å |
| 150 | L | 85.3 | Confident | 85.2 | Confident | 6 Ų | 6 | 79.6 Ų | 79.6 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.9 | -32.9 | 175.9 | -69 | -175.7 | 0 | 0 | 0 | 112.8 | Y146 N148 F154 Y158 V213 | Y146-L150 HydrophobicContact CD1-CD1 4.11Å; Y146-L150 HydrophobicContact CE1-CD1 3.41Å; Y146-L150 VanDerWaalsContact CE1-CD1 3.41Å; Y146-L150 HydrophobicContact CE1-CG 4.17Å; Y146-L150 HydrophobicContact CE2-CD1 4.42Å; Y146-L150 HydrophobicContact CE2-CG 4.46Å; Y146-L150 PolarHBondContact O-N 3.23Å; N148-L150 PolarHBondContact O-N 2.96Å; L150-F154 HydrophobicContact CD2-CD2 4.47Å; L150-F154 CarbonylContact O-C 3.36Å; L150-F154 PolarHBondContact O-N 3.36Å; L150-F154 VanDerWaalsContact O-O 3.05Å; L150-Y158 HydrophobicContact CD2-CD2 3.93Å; L150-Y158 HydrophobicContact CD2-CG 4.06Å; L150-V213 HydrophobicContact CD2-CG2 4.42Å |
| 151 | R | 86.5 | Confident | 84.9 | Confident | 129 Ų | 129 | 81.4 Ų | 81.4 | 49% | 0.487 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -73.9 | -42.3 | 179.7 | -173.6 | -175.9 | -62.7 | 163.2 | 0.1 | 112.6 | L147 N148 T149 | L147-R151 WeakPolarHBondContact O-CB 3.36Å; L147-R151 PolarHBondContact O-N 2.78Å; L147-R151 VanDerWaalsContact O-N 3.08Å; N148-R151 WeakPolarHBondContact O-CB 3.33Å; N148-R151 PolarHBondContact O-N 2.95Å; N148-R151 VanDerWaalsContact O-N 3.1Å; T149-R151 PolarHBondContact O-N 3.44Å |
| 152 | V | 87 | Confident | 84.5 | Confident | 100 Ų | 100 | 77.9 Ų | 77.9 | 61% | 0.606 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -83.6 | -44.2 | -174.4 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | N148 T149 | N148-V152 WeakPolarHBondContact O-CG2 3.36Å; N148-V152 PolarHBondContact O-N 3.48Å; T149-V152 PolarHBondContact O-N 3.46Å |
| 153 | E | 80.1 | Confident | 84.3 | Confident | 92 Ų | 92 | 74.1 Ų | 74.1 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -92.3 | -26.6 | -172 | -62.8 | -171.4 | -159.9 | 0 | 0 | 113.8 | T149 H215 | T149-E153 HydrophobicContact CG2-CG 4.35Å; T149-E153 WeakPolarHBondContact O-CB 3.02Å; T149-E153 PolarHBondContact O-N 2.71Å; E153-H215 IonicContact OE1-CE1 3.34Å; E153-H215 PolarHBondContact OE1-CE1 2.99Å; E153-H215 IonicContact OE1-ND1 3.85Å; E153-H215 IonicContact OE2-CE1 3.56Å; E153-H215 PolarHBondContact OE2-CE1 2.96Å; E153-H215 IonicContact OE2-ND1 3.98Å; E153-H215 PolarHBondContact OE2-ND1 2.81Å |
| 154 | F | 78.8 | Confident | 84.3 | Confident | 56 Ų | 56 | 78.5 Ų | 78.5 | 25% | 0.246 | 39% | 0.386 | C | S | . | . | trans | -133.5 | 62 | -177 | -54.6 | -78.1 | 0 | 0 | 0 | 112.7 | L150 Q156 Q157 Y158 V213 | L150-F154 HydrophobicContact CD2-CD2 4.47Å; L150-F154 CarbonylContact O-C 3.36Å; L150-F154 PolarHBondContact O-N 3.36Å; L150-F154 VanDerWaalsContact O-O 3.05Å; F154-Q156 PolarHBondContact O-N 3.38Å; F154-Q157 HydrophobicContact CB-CB 4.36Å; F154-Q157 PolarHBondContact O-N 3.26Å; F154-Y158 HydrophobicContact CB-CD2 3.51Å; F154-Y158 HydrophobicContact CB-CE2 3.87Å; F154-Y158 HydrophobicContact CD1-CD2 4.47Å; F154-Y158 AromaticContact CD1-CE2 3.95Å; F154-Y158 HydrophobicContact CD1-CE2 3.95Å; F154-Y158 HydrophobicContact CD2-CD2 4.35Å; F154-Y158 HydrophobicContact CD2-CE2 4.19Å; F154-Y158 AromaticContact CG-CD2 3.87Å; F154-Y158 HydrophobicContact CG-CD2 3.87Å; F154-Y158 AromaticContact CG-CE2 3.72Å; F154-Y158 HydrophobicContact CG-CE2 3.72Å; F154-V213 HydrophobicContact CE2-CG1 4.06Å | ||
| 155 | P | 76.1 | Confident | 84.3 | Confident | 74 Ų | 74 | 77.3 Ų | 77.3 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -28.7 | -167.5 | -23.5 | 33.9 | 0 | 0 | 0 | 114.7 | H159 | P155-H159 PolarHBondContact O-CE1 3.49Å; P155-H159 PolarHBondContact O-NE2 3.45Å |
| 156 | Q | 76.1 | Confident | 84.3 | Confident | 169 Ų | 169 | 74.7 Ų | 74.7 | 79% | 0.79 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | -14.5 | -176.5 | -60.4 | -156.8 | 5.2 | 0 | 0 | 115.7 | F154 H159 | F154-Q156 PolarHBondContact O-N 3.38Å; Q156-H159 WeakPolarHBondContact CA-NE2 3.47Å; Q156-H159 PolarHBondContact O-CD2 3.18Å; Q156-H159 VanDerWaalsContact O-CD2 3.24Å |
| 157 | Q | 72.9 | Confident | 84.5 | Confident | 141 Ų | 141 | 80.8 Ų | 80.8 | 66% | 0.659 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -21.4 | -166.3 | -164.2 | 168.6 | -11.1 | 0 | 0 | 114.1 | F154 | F154-Q157 HydrophobicContact CB-CB 4.36Å; F154-Q157 PolarHBondContact O-N 3.26Å |
| 158 | Y | 77.7 | Confident | 84.6 | Confident | 86 Ų | 86 | 84.1 Ų | 84.1 | 34% | 0.337 | 40% | 0.401 | S | S | . | . | trans | -127.6 | 30.6 | -174 | -62.3 | -77.9 | 0 | 0 | 0 | 114.5 | L150 F154 H160 D161 R162 | L150-Y158 HydrophobicContact CD2-CD2 3.93Å; L150-Y158 HydrophobicContact CD2-CG 4.06Å; F154-Y158 HydrophobicContact CB-CD2 3.51Å; F154-Y158 HydrophobicContact CB-CE2 3.87Å; F154-Y158 HydrophobicContact CD1-CD2 4.47Å; F154-Y158 AromaticContact CD1-CE2 3.95Å; F154-Y158 HydrophobicContact CD1-CE2 3.95Å; F154-Y158 HydrophobicContact CD2-CD2 4.35Å; F154-Y158 HydrophobicContact CD2-CE2 4.19Å; F154-Y158 AromaticContact CG-CD2 3.87Å; F154-Y158 HydrophobicContact CG-CD2 3.87Å; F154-Y158 AromaticContact CG-CE2 3.72Å; F154-Y158 HydrophobicContact CG-CE2 3.72Å; Y158-H160 VanDerWaalsContact C-N 3.29Å; Y158-H160 PolarHBondContact O-N 3.28Å; Y158-D161 PolarHBondContact O-N 3.08Å; Y158-R162 WeakPolarHBondContact O-CB 3.47Å; Y158-R162 PolarHBondContact O-N 3.04Å | ||
| 159 | H | 80 | Confident | 84.7 | Confident | 98 Ų | 98 | 81.2 Ų | 81.2 | 45% | 0.454 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -54.3 | -41.7 | -178.5 | -75.6 | -61.8 | 0 | 0 | 0 | 113.9 | P155 Q156 G163 | P155-H159 PolarHBondContact O-CE1 3.49Å; P155-H159 PolarHBondContact O-NE2 3.45Å; Q156-H159 WeakPolarHBondContact CA-NE2 3.47Å; Q156-H159 PolarHBondContact O-CD2 3.18Å; Q156-H159 VanDerWaalsContact O-CD2 3.24Å; H159-G163 PolarHBondContact O-N 2.98Å; H159-G163 VanDerWaalsContact O-N 3.14Å |
| 160 | H | 83.9 | Confident | 84.8 | Confident | 134 Ų | 134 | 80.9 Ų | 80.9 | 62% | 0.62 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -69.2 | -42.9 | -178.5 | -176.8 | 65.9 | 0 | 0 | 0 | 112.4 | Y158 G163 K164 | Y158-H160 VanDerWaalsContact C-N 3.29Å; Y158-H160 PolarHBondContact O-N 3.28Å; H160-G163 PolarHBondContact O-N 3.4Å; H160-K164 VanDerWaalsContact CD2-CE 3.41Å; H160-K164 WeakPolarHBondContact CD2-CE 3.22Å; H160-K164 PolarHBondContact CD2-NZ 2.92Å; H160-K164 WeakPolarHBondContact NE2-CE 3.48Å; H160-K164 PolarHBondContact NE2-NZ 2.89Å; H160-K164 WeakPolarHBondContact O-CG 3.45Å; H160-K164 PolarHBondContact O-N 3.4Å |
| 161 | D | 83.4 | Confident | 85.1 | Confident | 58 Ų | 58 | 86.1 Ų | 86.1 | 31% | 0.31 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -72.1 | -34.1 | 178.9 | -68.2 | -29.8 | 0 | 0 | 0 | 111.9 | Y158 K164 W165 | Y158-D161 PolarHBondContact O-N 3.08Å; D161-K164 WeakPolarHBondContact O-CB 3.38Å; D161-K164 PolarHBondContact O-N 3.25Å; D161-K164 IonicContact OD1-NZ 3.52Å; D161-K164 PolarHBondContact OD1-NZ 2.85Å; D161-W165 PolarHBondContact O-N 3.29Å |
| 162 | R | 84.4 | Confident | 85.4 | Confident | 61 Ų | 61 | 80.7 Ų | 80.7 | 23% | 0.23 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -57.4 | -50.4 | 170.6 | -166 | 179.6 | 70.8 | -165.6 | -0.2 | 111.1 | L147 Y158 K164 W165 E166 | L147-R162 HydrophobicContact CD2-CG 3.75Å; Y158-R162 WeakPolarHBondContact O-CB 3.47Å; Y158-R162 PolarHBondContact O-N 3.04Å; R162-K164 VanDerWaalsContact C-N 3.31Å; R162-K164 PolarHBondContact O-N 2.65Å; R162-W165 PolarHBondContact O-N 3.5Å; R162-E166 IonicContact NE-OE1 2.74Å; R162-E166 WeakPolarHBondContact O-CB 3.47Å; R162-E166 VanDerWaalsContact O-CG 3.31Å; R162-E166 WeakPolarHBondContact O-CG 3.35Å; R162-E166 PolarHBondContact O-N 3.24Å |
| 163 | G | 88.3 | Confident | 85.7 | Confident | 22 Ų | 22 | 81.4 Ų | 81.4 | 23% | 0.227 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.9 | -32.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | H159 H160 K167 | H159-G163 PolarHBondContact O-N 2.98Å; H159-G163 VanDerWaalsContact O-N 3.14Å; H160-G163 PolarHBondContact O-N 3.4Å; G163-K167 VanDerWaalsContact O-CG 3.29Å; G163-K167 WeakPolarHBondContact O-CG 3.26Å; G163-K167 PolarHBondContact O-N 3.3Å; G163-K167 VanDerWaalsContact O-N 3.14Å |
| 164 | K | 91 | Very high | 86.2 | Confident | 92 Ų | 92 | 84 Ų | 84 | 40% | 0.4 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.5 | -45.8 | 172.6 | -75.9 | 175.9 | -177.2 | 155.1 | 0 | 112.1 | H160 D161 R162 K167 K168 | H160-K164 VanDerWaalsContact CD2-CE 3.41Å; H160-K164 WeakPolarHBondContact CD2-CE 3.22Å; H160-K164 PolarHBondContact CD2-NZ 2.92Å; H160-K164 WeakPolarHBondContact NE2-CE 3.48Å; H160-K164 PolarHBondContact NE2-NZ 2.89Å; H160-K164 WeakPolarHBondContact O-CG 3.45Å; H160-K164 PolarHBondContact O-N 3.4Å; D161-K164 WeakPolarHBondContact O-CB 3.38Å; D161-K164 PolarHBondContact O-N 3.25Å; D161-K164 IonicContact OD1-NZ 3.52Å; D161-K164 PolarHBondContact OD1-NZ 2.85Å; R162-K164 VanDerWaalsContact C-N 3.31Å; R162-K164 PolarHBondContact O-N 2.65Å; K164-K167 PolarHBondContact O-N 3.33Å; K164-K168 WeakPolarHBondContact O-CG 3.46Å; K164-K168 PolarHBondContact O-N 2.93Å |
| 165 | W | 91.1 | Very high | 86.7 | Confident | 20 Ų | 20 | 83 Ų | 83 | 8% | 0.076 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -71.4 | -36.1 | -178.7 | -80.5 | 103.5 | 0 | 0 | 0 | 112.2 | W139 V143 Y146 L147 D161 R162 K167 K168 E169 P208 H209 P211 | W139-W165 HydrophobicContact CZ2-CZ3 4.17Å; V143-W165 HydrophobicContact CG2-CE3 4.31Å; V143-W165 HydrophobicContact CG2-CZ3 4.41Å; Y146-W165 HydrophobicContact CD1-CG 4.29Å; Y146-W165 HydrophobicContact CE1-CB 4.43Å; Y146-W165 AromaticContact CE1-CD1 3.53Å; Y146-W165 HydrophobicContact CE1-CD2 4.3Å; Y146-W165 AromaticContact CE1-CG 3.84Å; Y146-W165 HydrophobicContact CE1-CG 3.84Å; Y146-W165 AromaticContact CE1-NE1 3.83Å; L147-W165 HydrophobicContact CD2-CB 3.69Å; L147-W165 HydrophobicContact CG-CB 4.41Å; D161-W165 PolarHBondContact O-N 3.29Å; R162-W165 PolarHBondContact O-N 3.5Å; W165-K167 VanDerWaalsContact C-N 3.32Å; W165-K167 PolarHBondContact O-N 3.23Å; W165-K168 HydrophobicContact CD2-CD 4.21Å; W165-K168 HydrophobicContact CE3-CB 4.42Å; W165-K168 HydrophobicContact CE3-CD 3.9Å; W165-K168 HydrophobicContact CH2-CD 4.22Å; W165-K168 HydrophobicContact CZ3-CD 3.93Å; W165-K168 PolarHBondContact O-N 2.9Å; W165-E169 WeakPolarHBondContact O-CB 3.39Å; W165-E169 PolarHBondContact O-N 3.39Å; W165-P208 HydrophobicContact CH2-CB 4.31Å; W165-P208 HydrophobicContact CZ3-CB 4.38Å; W165-H209 WeakPolarHBondContact CH2-O 3.47Å; W165-P211 HydrophobicContact CH2-CG 4.45Å; W165-P211 HydrophobicContact CZ2-CG 3.64Å |
| 166 | E | 92.9 | Very high | 87.4 | Confident | 75 Ų | 75 | 81 Ų | 81 | 35% | 0.35 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59 | -41.7 | 169.6 | -73.5 | 167.8 | 173.4 | 0 | 0 | 111.6 | L147 R162 E169 G170 | L147-E166 HydrophobicContact CD1-CG 3.88Å; L147-E166 HydrophobicContact CD2-CG 4.04Å; R162-E166 IonicContact NE-OE1 2.74Å; R162-E166 WeakPolarHBondContact O-CB 3.47Å; R162-E166 VanDerWaalsContact O-CG 3.31Å; R162-E166 WeakPolarHBondContact O-CG 3.35Å; R162-E166 PolarHBondContact O-N 3.24Å; E166-E169 PolarHBondContact O-N 3.45Å; E166-G170 PolarHBondContact O-N 3.2Å |
| 167 | K | 93.4 | Very high | 88.2 | Confident | 158 Ų | 158 | 75.6 Ų | 75.6 | 69% | 0.687 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.8 | -44.7 | 173.6 | -74.1 | 174.3 | -176.8 | -177.2 | 0 | 112.3 | G163 K164 W165 E169 G170 L171 | G163-K167 VanDerWaalsContact O-CG 3.29Å; G163-K167 WeakPolarHBondContact O-CG 3.26Å; G163-K167 PolarHBondContact O-N 3.3Å; G163-K167 VanDerWaalsContact O-N 3.14Å; K164-K167 PolarHBondContact O-N 3.33Å; W165-K167 VanDerWaalsContact C-N 3.32Å; W165-K167 PolarHBondContact O-N 3.23Å; K167-E169 VanDerWaalsContact C-N 3.34Å; K167-G170 PolarHBondContact O-N 3.46Å; K167-L171 WeakPolarHBondContact O-CG 3.44Å; K167-L171 PolarHBondContact O-N 3.02Å |
| 168 | K | 89.4 | Confident | 89 | Confident | 77 Ų | 77 | 74.3 Ų | 74.3 | 34% | 0.335 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 176.8 | -72.9 | 178.1 | -179.9 | 179.9 | 0 | 111.7 | K164 W165 L171 V172 | K164-K168 WeakPolarHBondContact O-CG 3.46Å; K164-K168 PolarHBondContact O-N 2.93Å; W165-K168 HydrophobicContact CD2-CD 4.21Å; W165-K168 HydrophobicContact CE3-CB 4.42Å; W165-K168 HydrophobicContact CE3-CD 3.9Å; W165-K168 HydrophobicContact CH2-CD 4.22Å; W165-K168 HydrophobicContact CZ3-CD 3.93Å; W165-K168 PolarHBondContact O-N 2.9Å; K168-L171 PolarHBondContact O-N 3.01Å; K168-V172 WeakPolarHBondContact O-CG2 3.49Å; K168-V172 PolarHBondContact O-N 3.42Å |
| 169 | E | 91.5 | Very high | 89.6 | Confident | 22 Ų | 22 | 70.5 Ų | 70.5 | 10% | 0.103 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 175.5 | -164.8 | -162.4 | -161.7 | 0 | 0 | 111.2 | L140 V143 W165 E166 K167 L171 V172 R173 | L140-E169 HydrophobicContact CD2-CG 3.71Å; V143-E169 HydrophobicContact CG1-CB 4.01Å; V143-E169 HydrophobicContact CG1-CG 4.01Å; W165-E169 WeakPolarHBondContact O-CB 3.39Å; W165-E169 PolarHBondContact O-N 3.39Å; E166-E169 PolarHBondContact O-N 3.45Å; K167-E169 VanDerWaalsContact C-N 3.34Å; E169-L171 VanDerWaalsContact C-N 3.35Å; E169-L171 PolarHBondContact O-N 3.44Å; E169-V172 PolarHBondContact O-N 3.32Å; E169-R173 VanDerWaalsContact CD-CZ 3.44Å; E169-R173 VanDerWaalsContact CD-NH2 3.27Å; E169-R173 VanDerWaalsContact CG-NH1 3.33Å; E169-R173 WeakPolarHBondContact O-CG 3.33Å; E169-R173 PolarHBondContact O-N 2.87Å; E169-R173 IonicContact OE1-CZ 3.77Å; E169-R173 VanDerWaalsContact OE1-CZ 3.26Å; E169-R173 IonicContact OE1-NH1 2.67Å; E169-R173 PolarHBondContact OE1-NH1 3.07Å; E169-R173 IonicContact OE1-NH2 3.27Å; E169-R173 PolarHBondContact OE1-NH2 2.95Å; E169-R173 IonicContact OE2-CZ 3.77Å; E169-R173 IonicContact OE2-NH1 3.73Å; E169-R173 PolarHBondContact OE2-NH1 3.37Å; E169-R173 IonicContact OE2-NH2 2.65Å |
| 170 | G | 90.4 | Very high | 90.2 | Very high | 29 Ų | 29 | 70.8 Ų | 70.8 | 30% | 0.299 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61 | -39 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E166 K167 K174 | E166-G170 PolarHBondContact O-N 3.2Å; K167-G170 PolarHBondContact O-N 3.46Å; G170-K174 WeakPolarHBondContact O-CG 3.43Å; G170-K174 PolarHBondContact O-N 3.21Å; G170-K174 VanDerWaalsContact O-N 3.11Å |
| 171 | L | 93.1 | Very high | 90.7 | Very high | 116 Ų | 116 | 67.2 Ų | 67.2 | 61% | 0.607 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.2 | -45.1 | 175 | -73.1 | 170.9 | 0 | 0 | 0 | 112 | K167 K168 E169 R173 K174 S175 | K167-L171 WeakPolarHBondContact O-CG 3.44Å; K167-L171 PolarHBondContact O-N 3.02Å; K168-L171 PolarHBondContact O-N 3.01Å; E169-L171 VanDerWaalsContact C-N 3.35Å; E169-L171 PolarHBondContact O-N 3.44Å; L171-R173 VanDerWaalsContact C-N 3.34Å; L171-R173 PolarHBondContact O-N 3.25Å; L171-K174 PolarHBondContact O-N 3.41Å; L171-S175 WeakPolarHBondContact O-CB 3.41Å; L171-S175 PolarHBondContact O-N 3.15Å |
| 172 | V | 91.9 | Very high | 91.1 | Very high | 15 Ų | 15 | 70.7 Ų | 70.7 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 177.9 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | I136 W139 L140 K168 E169 K174 S175 Q176 L207 | I136-V172 HydrophobicContact CG2-CG1 3.73Å; W139-V172 HydrophobicContact CE3-CB 4.07Å; W139-V172 HydrophobicContact CE3-CG1 3.67Å; W139-V172 HydrophobicContact CE3-CG2 4.18Å; W139-V172 HydrophobicContact CH2-CB 3.91Å; W139-V172 HydrophobicContact CH2-CG1 4.41Å; W139-V172 HydrophobicContact CH2-CG2 3.5Å; W139-V172 VanDerWaalsContact CH2-CG2 3.5Å; W139-V172 HydrophobicContact CZ2-CG2 4.14Å; W139-V172 HydrophobicContact CZ3-CB 3.44Å; W139-V172 VanDerWaalsContact CZ3-CB 3.44Å; W139-V172 HydrophobicContact CZ3-CG1 3.59Å; W139-V172 HydrophobicContact CZ3-CG2 3.54Å; L140-V172 HydrophobicContact CD2-CG1 4.4Å; K168-V172 WeakPolarHBondContact O-CG2 3.49Å; K168-V172 PolarHBondContact O-N 3.42Å; E169-V172 PolarHBondContact O-N 3.32Å; V172-K174 PolarHBondContact O-N 2.87Å; V172-S175 PolarHBondContact O-N 3.38Å; V172-Q176 WeakPolarHBondContact O-CB 3.27Å; V172-Q176 PolarHBondContact O-N 3.25Å; V172-L207 HydrophobicContact CB-CD2 4.47Å; V172-L207 HydrophobicContact CG1-CD2 3.62Å; V172-L207 HydrophobicContact CG2-CD2 3.95Å |
| 173 | R | 92.4 | Very high | 91.3 | Very high | 115 Ų | 115 | 67.8 Ų | 67.8 | 43% | 0.434 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 173.5 | -75.3 | -167.7 | -177 | 100.6 | 3.7 | 113.1 | L140 E169 L171 Q176 A177 | L140-R173 HydrophobicContact CD1-CG 4.13Å; L140-R173 HydrophobicContact CD2-CG 3.83Å; E169-R173 VanDerWaalsContact CD-CZ 3.44Å; E169-R173 VanDerWaalsContact CD-NH2 3.27Å; E169-R173 VanDerWaalsContact CG-NH1 3.33Å; E169-R173 WeakPolarHBondContact O-CG 3.33Å; E169-R173 PolarHBondContact O-N 2.87Å; E169-R173 IonicContact OE1-CZ 3.77Å; E169-R173 VanDerWaalsContact OE1-CZ 3.26Å; E169-R173 IonicContact OE1-NH1 2.67Å; E169-R173 PolarHBondContact OE1-NH1 3.07Å; E169-R173 IonicContact OE1-NH2 3.27Å; E169-R173 PolarHBondContact OE1-NH2 2.95Å; E169-R173 IonicContact OE2-CZ 3.77Å; E169-R173 IonicContact OE2-NH1 3.73Å; E169-R173 PolarHBondContact OE2-NH1 3.37Å; E169-R173 IonicContact OE2-NH2 2.65Å; L171-R173 VanDerWaalsContact C-N 3.34Å; L171-R173 PolarHBondContact O-N 3.25Å; R173-Q176 WeakPolarHBondContact O-CB 3.45Å; R173-Q176 PolarHBondContact O-N 3.26Å; R173-A177 PolarHBondContact O-N 3.15Å |
| 174 | K | 90.9 | Very high | 91.6 | Very high | 147 Ų | 147 | 71.9 Ų | 71.9 | 64% | 0.639 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64 | -46.6 | 174.6 | -72.3 | 178.5 | -179.4 | -174.9 | 0 | 111.1 | G170 L171 V172 Q176 A177 E178 | G170-K174 WeakPolarHBondContact O-CG 3.43Å; G170-K174 PolarHBondContact O-N 3.21Å; G170-K174 VanDerWaalsContact O-N 3.11Å; L171-K174 PolarHBondContact O-N 3.41Å; V172-K174 PolarHBondContact O-N 2.87Å; K174-Q176 VanDerWaalsContact C-N 3.29Å; K174-Q176 PolarHBondContact O-N 3.33Å; K174-A177 PolarHBondContact O-N 3.43Å; K174-E178 WeakPolarHBondContact O-CG 3.33Å; K174-E178 PolarHBondContact O-N 3.41Å |
| 175 | S | 90.7 | Very high | 91.7 | Very high | 35 Ų | 35 | 71.8 Ų | 71.8 | 25% | 0.245 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.9 | -35.8 | 177 | -172.6 | 0 | 0 | 0 | 0 | 112.6 | L171 V172 E178 L179 P205 | L171-S175 WeakPolarHBondContact O-CB 3.41Å; L171-S175 PolarHBondContact O-N 3.15Å; V172-S175 PolarHBondContact O-N 3.38Å; S175-E178 PolarHBondContact O-N 2.87Å; S175-L179 VanDerWaalsContact O-CB 3.23Å; S175-L179 WeakPolarHBondContact O-CB 3.01Å; S175-L179 PolarHBondContact O-N 3.36Å; S175-P205 WeakPolarHBondContact OG-CG 3.35Å |
| 176 | Q | 89.9 | Confident | 91.6 | Very high | 30 Ų | 30 | 71.3 Ų | 71.3 | 14% | 0.14 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.7 | -48 | 173.2 | -174.2 | -175 | 2.9 | 0 | 0 | 111.5 | M133 I136 V172 R173 K174 L179 Q180 | M133-Q176 HydrophobicContact CE-CG 3.82Å; M133-Q176 HydrophobicContact SD-CG 3.91Å; I136-Q176 HydrophobicContact CD1-CB 4.33Å; I136-Q176 HydrophobicContact CD1-CG 4.28Å; I136-Q176 HydrophobicContact CG2-CB 4.01Å; I136-Q176 HydrophobicContact CG2-CG 3.92Å; V172-Q176 WeakPolarHBondContact O-CB 3.27Å; V172-Q176 PolarHBondContact O-N 3.25Å; R173-Q176 WeakPolarHBondContact O-CB 3.45Å; R173-Q176 PolarHBondContact O-N 3.26Å; K174-Q176 VanDerWaalsContact C-N 3.29Å; K174-Q176 PolarHBondContact O-N 3.33Å; Q176-L179 PolarHBondContact O-N 2.89Å; Q176-Q180 WeakPolarHBondContact O-CB 3.25Å; Q176-Q180 PolarHBondContact O-N 3.22Å |
| 177 | A | 92.4 | Very high | 91.6 | Very high | 57 Ų | 57 | 68 Ų | 68 | 47% | 0.471 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | R173 K174 Q180 S181 | R173-A177 PolarHBondContact O-N 3.15Å; K174-A177 PolarHBondContact O-N 3.43Å; A177-Q180 PolarHBondContact O-N 3.48Å; A177-S181 PolarHBondContact O-N 3.48Å |
| 178 | E | 91 | Very high | 91.7 | Very high | 114 Ų | 114 | 65.5 Ų | 65.5 | 53% | 0.533 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 175.5 | -70.2 | 171.3 | -164.7 | 0 | 0 | 112 | K174 S175 Q180 S181 R182 | K174-E178 WeakPolarHBondContact O-CG 3.33Å; K174-E178 PolarHBondContact O-N 3.41Å; S175-E178 PolarHBondContact O-N 2.87Å; E178-Q180 VanDerWaalsContact C-N 3.33Å; E178-Q180 PolarHBondContact O-N 2.96Å; E178-S181 PolarHBondContact O-N 2.81Å; E178-R182 WeakPolarHBondContact O-CG 3.39Å; E178-R182 PolarHBondContact O-N 3.46Å |
| 179 | L | 89.8 | Confident | 91.9 | Very high | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 177.6 | -178.2 | 63.5 | 0 | 0 | 0 | 111.4 | A132 I136 S175 Q176 R182 F183 I202 P205 | A132-L179 HydrophobicContact CB-CD2 4.2Å; I136-L179 HydrophobicContact CD1-CD2 3.97Å; S175-L179 VanDerWaalsContact O-CB 3.23Å; S175-L179 WeakPolarHBondContact O-CB 3.01Å; S175-L179 PolarHBondContact O-N 3.36Å; Q176-L179 PolarHBondContact O-N 2.89Å; L179-R182 PolarHBondContact O-N 2.99Å; L179-F183 HydrophobicContact CD1-CD2 4.01Å; L179-F183 HydrophobicContact CD1-CE2 3.61Å; L179-F183 HydrophobicContact CD1-CZ 4.45Å; L179-F183 HydrophobicContact CD2-CE2 4.03Å; L179-F183 HydrophobicContact CG-CD2 3.85Å; L179-F183 HydrophobicContact CG-CE2 3.6Å; L179-F183 VanDerWaalsContact O-CD2 3.24Å; L179-F183 WeakPolarHBondContact O-CD2 3.42Å; L179-F183 PolarHBondContact O-N 3.02Å; L179-I202 HydrophobicContact CD1-CG2 3.53Å; L179-P205 HydrophobicContact CD2-CG 4.48Å |
| 180 | Q | 92.9 | Very high | 91.8 | Very high | 103 Ų | 103 | 63.3 Ų | 63.3 | 48% | 0.481 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 175.6 | -173.6 | 175.8 | 1 | 0 | 0 | 111.7 | M133 Q176 A177 E178 F183 Q184 | M133-Q180 HydrophobicContact CE-CB 4.18Å; M133-Q180 HydrophobicContact CE-CG 4.21Å; M133-Q180 HydrophobicContact SD-CB 4.43Å; Q176-Q180 WeakPolarHBondContact O-CB 3.25Å; Q176-Q180 PolarHBondContact O-N 3.22Å; A177-Q180 PolarHBondContact O-N 3.48Å; E178-Q180 VanDerWaalsContact C-N 3.33Å; E178-Q180 PolarHBondContact O-N 2.96Å; Q180-F183 PolarHBondContact O-N 2.86Å; Q180-Q184 PolarHBondContact O-N 2.74Å |
| 181 | S | 94.4 | Very high | 91.9 | Very high | 59 Ų | 59 | 67.9 Ų | 67.9 | 41% | 0.413 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 173.8 | -168.1 | 0 | 0 | 0 | 0 | 111.8 | A177 E178 F183 Q184 E185 | A177-S181 PolarHBondContact O-N 3.48Å; E178-S181 PolarHBondContact O-N 2.81Å; S181-F183 PolarHBondContact O-N 3.17Å; S181-Q184 WeakPolarHBondContact O-CB 3.3Å; S181-Q184 PolarHBondContact O-N 2.7Å; S181-Q184 VanDerWaalsContact O-N 3.08Å; S181-E185 WeakPolarHBondContact O-CG 3.47Å; S181-E185 PolarHBondContact O-N 3.02Å; S181-E185 PolarHBondContact OG-OE1 3.07Å |
| 182 | R | 90.8 | Very high | 91.9 | Very high | 131 Ų | 131 | 68.8 Ų | 68.8 | 49% | 0.494 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 178.9 | -71 | 176.9 | -178.4 | -118.2 | 3.3 | 112.9 | E178 L179 Q184 E185 V186 | E178-R182 WeakPolarHBondContact O-CG 3.39Å; E178-R182 PolarHBondContact O-N 3.46Å; L179-R182 PolarHBondContact O-N 2.99Å; R182-Q184 VanDerWaalsContact C-N 3.33Å; R182-E185 PolarHBondContact O-N 2.89Å; R182-V186 WeakPolarHBondContact O-CG2 3.3Å; R182-V186 PolarHBondContact O-N 3.45Å; R182-V186 VanDerWaalsContact O-N 3.07Å |
| 183 | F | 88.6 | Confident | 91.6 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 173.5 | -83.6 | -68.1 | 0 | 0 | 0 | 111.4 | V125 Q128 R129 A132 L179 Q180 S181 V186 L187 I202 | V125-F183 HydrophobicContact CG1-CD1 3.97Å; V125-F183 HydrophobicContact CG1-CE1 4.42Å; Q128-F183 HydrophobicContact CB-CE1 4.15Å; Q128-F183 HydrophobicContact CG-CE1 3.97Å; Q128-F183 HydrophobicContact CG-CZ 3.98Å; R129-F183 HydrophobicContact CB-CB 4.15Å; R129-F183 HydrophobicContact CB-CD1 3.69Å; R129-F183 HydrophobicContact CB-CD2 3.95Å; R129-F183 HydrophobicContact CB-CE1 4.02Å; R129-F183 HydrophobicContact CB-CE2 4.24Å; R129-F183 HydrophobicContact CB-CG 3.68Å; R129-F183 HydrophobicContact CB-CZ 4.29Å; R129-F183 HydrophobicContact CG-CB 3.94Å; R129-F183 HydrophobicContact CG-CD1 4.37Å; R129-F183 HydrophobicContact CG-CD2 3.9Å; R129-F183 HydrophobicContact CG-CG 3.83Å; A132-F183 HydrophobicContact CB-CE2 4.23Å; A132-F183 HydrophobicContact CB-CZ 4.46Å; L179-F183 HydrophobicContact CD1-CD2 4.01Å; L179-F183 HydrophobicContact CD1-CE2 3.61Å; L179-F183 HydrophobicContact CD1-CZ 4.45Å; L179-F183 HydrophobicContact CD2-CE2 4.03Å; L179-F183 HydrophobicContact CG-CD2 3.85Å; L179-F183 HydrophobicContact CG-CE2 3.6Å; L179-F183 VanDerWaalsContact O-CD2 3.24Å; L179-F183 WeakPolarHBondContact O-CD2 3.42Å; L179-F183 PolarHBondContact O-N 3.02Å; Q180-F183 PolarHBondContact O-N 2.86Å; S181-F183 PolarHBondContact O-N 3.17Å; F183-V186 PolarHBondContact O-N 3.41Å; F183-L187 WeakPolarHBondContact O-CB 3.42Å; F183-L187 VanDerWaalsContact O-CG 3.23Å; F183-L187 WeakPolarHBondContact O-CG 3.44Å; F183-L187 PolarHBondContact O-N 2.96Å; F183-I202 HydrophobicContact CD1-CD1 3.24Å; F183-I202 HydrophobicContact CD1-CG2 4.35Å; F183-I202 HydrophobicContact CD2-CG2 4.32Å; F183-I202 HydrophobicContact CE1-CB 4.36Å; F183-I202 HydrophobicContact CE1-CD1 3.41Å; F183-I202 VanDerWaalsContact CE1-CD1 3.41Å; F183-I202 HydrophobicContact CE1-CG1 4.48Å; F183-I202 HydrophobicContact CE1-CG2 3.9Å; F183-I202 HydrophobicContact CE2-CG2 3.88Å; F183-I202 HydrophobicContact CG-CD1 3.96Å; F183-I202 HydrophobicContact CZ-CB 4.48Å; F183-I202 HydrophobicContact CZ-CD1 4.26Å; F183-I202 HydrophobicContact CZ-CG2 3.64Å |
| 184 | Q | 94.7 | Very high | 91.4 | Very high | 109 Ų | 109 | 72.4 Ų | 72.4 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 178.8 | -170.3 | 60.4 | 51.2 | 0 | 0 | 112.3 | Q180 S181 R182 L187 Q188 | Q180-Q184 PolarHBondContact O-N 2.74Å; S181-Q184 WeakPolarHBondContact O-CB 3.3Å; S181-Q184 PolarHBondContact O-N 2.7Å; S181-Q184 VanDerWaalsContact O-N 3.08Å; R182-Q184 VanDerWaalsContact C-N 3.33Å; Q184-L187 PolarHBondContact O-N 3.29Å; Q184-Q188 WeakPolarHBondContact O-CB 3.5Å; Q184-Q188 PolarHBondContact O-N 3.42Å |
| 185 | E | 92.9 | Very high | 91 | Very high | 90 Ų | 90 | 72 Ų | 72 | 42% | 0.421 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 176.7 | -72.1 | 162.3 | -143.4 | 0 | 0 | 112 | S181 R182 Q188 Q189 | S181-E185 WeakPolarHBondContact O-CG 3.47Å; S181-E185 PolarHBondContact O-N 3.02Å; S181-E185 PolarHBondContact OG-OE1 3.07Å; R182-E185 PolarHBondContact O-N 2.89Å; E185-Q188 PolarHBondContact O-N 2.9Å; E185-Q189 WeakPolarHBondContact O-CB 3.37Å; E185-Q189 VanDerWaalsContact O-CG 3.28Å; E185-Q189 WeakPolarHBondContact O-CG 3.35Å; E185-Q189 PolarHBondContact O-N 3.21Å; E185-Q189 PolarHBondContact O-NE2 2.91Å |
| 186 | V | 90.5 | Very high | 90.4 | Very high | 10 Ų | 10 | 73.6 Ų | 73.6 | 6% | 0.061 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 177 | 167.3 | 0 | 0 | 0 | 0 | 110.9 | V125 R182 F183 Q188 Q189 L190 L196 L199 I202 | V125-V186 HydrophobicContact CG1-CG1 4.17Å; R182-V186 WeakPolarHBondContact O-CG2 3.3Å; R182-V186 PolarHBondContact O-N 3.45Å; R182-V186 VanDerWaalsContact O-N 3.07Å; F183-V186 PolarHBondContact O-N 3.41Å; V186-Q188 VanDerWaalsContact C-N 3.31Å; V186-Q188 PolarHBondContact O-N 3.45Å; V186-Q189 PolarHBondContact O-N 2.82Å; V186-L190 HydrophobicContact CG1-CD1 4.17Å; V186-L190 HydrophobicContact CG1-CG 4.46Å; V186-L190 WeakPolarHBondContact O-CG 3.45Å; V186-L190 PolarHBondContact O-N 2.99Å; V186-L196 HydrophobicContact CG1-CD1 4.44Å; V186-L199 HydrophobicContact CG1-CD1 3.82Å; V186-I202 HydrophobicContact CB-CD1 4.01Å; V186-I202 HydrophobicContact CG1-CD1 4.16Å; V186-I202 HydrophobicContact CG2-CD1 3.87Å; V186-I202 HydrophobicContact CG2-CG1 4.01Å |
| 187 | L | 92.2 | Very high | 90 | Very high | 4 Ų | 4 | 79.1 Ų | 79.1 | 2% | 0.021 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 176.7 | -71.9 | 170.4 | 0 | 0 | 0 | 111.8 | I122 V125 E126 F183 Q184 L190 Q191 | I122-L187 HydrophobicContact CG2-CD2 4.02Å; V125-L187 HydrophobicContact CB-CD2 3.88Å; V125-L187 HydrophobicContact CG1-CD2 3.66Å; V125-L187 HydrophobicContact CG1-CG 3.96Å; E126-L187 HydrophobicContact CG-CD1 3.99Å; E126-L187 HydrophobicContact CG-CD2 3.71Å; F183-L187 WeakPolarHBondContact O-CB 3.42Å; F183-L187 VanDerWaalsContact O-CG 3.23Å; F183-L187 WeakPolarHBondContact O-CG 3.44Å; F183-L187 PolarHBondContact O-N 2.96Å; Q184-L187 PolarHBondContact O-N 3.29Å; L187-L190 PolarHBondContact O-N 3.42Å; L187-Q191 VanDerWaalsContact O-CG 3.3Å; L187-Q191 WeakPolarHBondContact O-CG 3.44Å; L187-Q191 PolarHBondContact O-N 3.49Å |
| 188 | Q | 95.3 | Very high | 89.5 | Confident | 106 Ų | 106 | 80 Ų | 80 | 50% | 0.495 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 176.2 | -176.5 | 176 | 64.8 | 0 | 0 | 111.9 | Q184 E185 V186 Q191 Q192 | Q184-Q188 WeakPolarHBondContact O-CB 3.5Å; Q184-Q188 PolarHBondContact O-N 3.42Å; E185-Q188 PolarHBondContact O-N 2.9Å; V186-Q188 VanDerWaalsContact C-N 3.31Å; V186-Q188 PolarHBondContact O-N 3.45Å; Q188-Q191 PolarHBondContact O-N 3.22Å; Q188-Q192 WeakPolarHBondContact O-CG 3.39Å; Q188-Q192 PolarHBondContact O-N 2.97Å; Q188-Q192 VanDerWaalsContact O-N 3.11Å |
| 189 | Q | 93.1 | Very high | 89.1 | Confident | 53 Ų | 53 | 75.3 Ų | 75.3 | 25% | 0.248 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 177.9 | -73.6 | 176.4 | 62.6 | 0 | 0 | 112.3 | E185 V186 Q192 G193 R194 L199 | E185-Q189 WeakPolarHBondContact O-CB 3.37Å; E185-Q189 VanDerWaalsContact O-CG 3.28Å; E185-Q189 WeakPolarHBondContact O-CG 3.35Å; E185-Q189 PolarHBondContact O-N 3.21Å; E185-Q189 PolarHBondContact O-NE2 2.91Å; V186-Q189 PolarHBondContact O-N 2.82Å; Q189-Q192 WeakPolarHBondContact O-CB 3.49Å; Q189-Q192 PolarHBondContact O-N 2.94Å; Q189-G193 PolarHBondContact O-N 3.25Å; Q189-R194 HydrophobicContact CB-CB 4.31Å; Q189-R194 HydrophobicContact CB-CG 4.23Å; Q189-R194 VanDerWaalsContact O-CB 3.31Å; Q189-R194 WeakPolarHBondContact O-CB 3.33Å; Q189-R194 PolarHBondContact O-N 2.9Å; Q189-R194 VanDerWaalsContact O-N 3.11Å; Q189-L199 HydrophobicContact CB-CD1 4.12Å; Q189-L199 HydrophobicContact CB-CD2 3.87Å; Q189-L199 HydrophobicContact CG-CD2 4.47Å |
| 190 | L | 90 | Very high | 88.5 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.6 | -44 | 172.5 | -69.3 | 173.1 | 0 | 0 | 0 | 111.2 | L118 I122 V125 V186 L187 Q192 G193 R194 L196 L199 | L118-L190 HydrophobicContact CD1-CB 4.32Å; L118-L190 WeakPolarHBondContact CD1-O 3.44Å; I122-L190 HydrophobicContact CD1-CB 4.48Å; I122-L190 HydrophobicContact CG1-CB 3.94Å; I122-L190 HydrophobicContact CG1-CD1 4.27Å; V125-L190 HydrophobicContact CB-CD1 4.49Å; V125-L190 HydrophobicContact CG2-CD1 3.96Å; V186-L190 HydrophobicContact CG1-CD1 4.17Å; V186-L190 HydrophobicContact CG1-CG 4.46Å; V186-L190 WeakPolarHBondContact O-CG 3.45Å; V186-L190 PolarHBondContact O-N 2.99Å; L187-L190 PolarHBondContact O-N 3.42Å; L190-Q192 PolarHBondContact O-N 3.08Å; L190-G193 WeakPolarHBondContact O-CA 3.45Å; L190-G193 PolarHBondContact O-N 3.42Å; L190-R194 WeakPolarHBondContact CD2-O 3.39Å; L190-L196 HydrophobicContact CD1-CD1 4.13Å; L190-L196 HydrophobicContact CD2-CB 3.9Å; L190-L196 HydrophobicContact CD2-CD1 4.16Å; L190-L199 HydrophobicContact CD2-CD1 3.7Å; L190-L199 HydrophobicContact CG-CD1 3.8Å |
| 191 | Q | 92.2 | Very high | 87.7 | Confident | 125 Ų | 125 | 80 Ų | 80 | 58% | 0.584 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.6 | -28.4 | 175.4 | -73.8 | 174 | -10.4 | 0 | 0 | 113.1 | I122 L187 Q188 G193 | I122-Q191 HydrophobicContact CD1-CG 3.92Å; L187-Q191 VanDerWaalsContact O-CG 3.3Å; L187-Q191 WeakPolarHBondContact O-CG 3.44Å; L187-Q191 PolarHBondContact O-N 3.49Å; Q188-Q191 PolarHBondContact O-N 3.22Å; Q191-G193 PolarHBondContact O-N 3.23Å |
| 192 | Q | 92.9 | Very high | 87.1 | Confident | 136 Ų | 136 | 78.4 Ų | 78.4 | 64% | 0.636 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -0.7 | 173.3 | -67.4 | 168.5 | 12.9 | 0 | 0 | 113.5 | Q188 Q189 L190 | Q188-Q192 WeakPolarHBondContact O-CG 3.39Å; Q188-Q192 PolarHBondContact O-N 2.97Å; Q188-Q192 VanDerWaalsContact O-N 3.11Å; Q189-Q192 WeakPolarHBondContact O-CB 3.49Å; Q189-Q192 PolarHBondContact O-N 2.94Å; L190-Q192 PolarHBondContact O-N 3.08Å |
| 193 | G | 86.8 | Confident | 86.5 | Confident | 54 Ų | 54 | 77.5 Ų | 77.5 | 56% | 0.557 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | 15.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q189 L190 Q191 | Q189-G193 PolarHBondContact O-N 3.25Å; L190-G193 WeakPolarHBondContact O-CA 3.45Å; L190-G193 PolarHBondContact O-N 3.42Å; Q191-G193 PolarHBondContact O-N 3.23Å |
| 194 | R | 88.1 | Confident | 86 | Confident | 151 Ų | 151 | 79.7 Ų | 79.7 | 57% | 0.57 | 40% | 0.403 | S | S | * | . | trans | -69.3 | 143.7 | 167.5 | -70.8 | -90.6 | -159.9 | -151.1 | -0.1 | 109.7 | Q189 L190 L199 | Q189-R194 HydrophobicContact CB-CB 4.31Å; Q189-R194 HydrophobicContact CB-CG 4.23Å; Q189-R194 VanDerWaalsContact O-CB 3.31Å; Q189-R194 WeakPolarHBondContact O-CB 3.33Å; Q189-R194 PolarHBondContact O-N 2.9Å; Q189-R194 VanDerWaalsContact O-N 3.11Å; L190-R194 WeakPolarHBondContact CD2-O 3.39Å; R194-L199 HydrophobicContact CB-CD2 3.96Å; R194-L199 HydrophobicContact CG-CD2 4.38Å | ||
| 195 | E | 82.4 | Confident | 85.1 | Confident | 139 Ų | 139 | 76.7 Ų | 76.7 | 65% | 0.65 | 39% | 0.392 | S | S | * | . | trans | -77 | 137 | 174.8 | -62 | 179.9 | 159.9 | 0 | 0 | 110.6 | E197 S198 | E195-E197 PolarHBondContact O-N 3.26Å; E195-E197 VanDerWaalsContact O-N 3.16Å; E195-S198 WeakPolarHBondContact O-CB 3.41Å; E195-S198 PolarHBondContact O-N 3.35Å; E195-S198 PolarHBondContact O-OG 3.39Å | ||
| 196 | L | 78.4 | Confident | 84.6 | Confident | 68 Ų | 68 | 78.8 Ų | 78.8 | 36% | 0.356 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -55.1 | -34.7 | 179.2 | -176 | 63.1 | 0 | 0 | 0 | 113.5 | V125 V186 L190 S198 L199 | V125-L196 HydrophobicContact CG2-CD1 3.9Å; V186-L196 HydrophobicContact CG1-CD1 4.44Å; L190-L196 HydrophobicContact CD1-CD1 4.13Å; L190-L196 HydrophobicContact CD2-CB 3.9Å; L190-L196 HydrophobicContact CD2-CD1 4.16Å; L196-S198 PolarHBondContact O-N 2.87Å; L196-L199 PolarHBondContact O-N 3.44Å |
| 197 | E | 81.4 | Confident | 84.3 | Confident | 147 Ų | 147 | 80.6 Ų | 80.6 | 69% | 0.687 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -67.1 | -26 | 180 | -62.6 | -175.9 | -172.8 | 0 | 0 | 113.1 | E195 L199 R266 | E195-E197 PolarHBondContact O-N 3.26Å; E195-E197 VanDerWaalsContact O-N 3.16Å; E197-L199 VanDerWaalsContact C-N 3.34Å; E197-R266 IonicContact OE1-NH1 2.84Å |
| 198 | S | 80.8 | Confident | 84 | Confident | 74 Ų | 74 | 82.7 Ų | 82.7 | 52% | 0.517 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -84.1 | -11.6 | 179.1 | 73.5 | 0 | 0 | 0 | 0 | 113.2 | E195 L196 | E195-S198 WeakPolarHBondContact O-CB 3.41Å; E195-S198 PolarHBondContact O-N 3.35Å; E195-S198 PolarHBondContact O-OG 3.39Å; L196-S198 PolarHBondContact O-N 2.87Å |
| 199 | L | 83.8 | Confident | 83.6 | Confident | 16 Ų | 16 | 85.3 Ų | 85.3 | 8% | 0.084 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -86.5 | 148.1 | -174.5 | -61.5 | -178 | 0 | 0 | 0 | 111.9 | V186 Q189 L190 R194 L196 E197 R201 | V186-L199 HydrophobicContact CG1-CD1 3.82Å; Q189-L199 HydrophobicContact CB-CD1 4.12Å; Q189-L199 HydrophobicContact CB-CD2 3.87Å; Q189-L199 HydrophobicContact CG-CD2 4.47Å; L190-L199 HydrophobicContact CD2-CD1 3.7Å; L190-L199 HydrophobicContact CG-CD1 3.8Å; R194-L199 HydrophobicContact CB-CD2 3.96Å; R194-L199 HydrophobicContact CG-CD2 4.38Å; L196-L199 PolarHBondContact O-N 3.44Å; E197-L199 VanDerWaalsContact C-N 3.34Å; L199-R201 PolarHBondContact O-N 2.88Å |
| 200 | P | 77.3 | Confident | 83.3 | Confident | 97 Ų | 97 | 83.4 Ų | 83.4 | 63% | 0.63 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 128.9 | 173.6 | -22.6 | 32.9 | 0 | 0 | 0 | 110.9 | I202 | P200-I202 PolarHBondContact O-N 3.41Š|
| 201 | R | 75.4 | Confident | 83 | Confident | 110 Ų | 110 | 85.9 Ų | 85.9 | 42% | 0.415 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 135.1 | 179.3 | -65.6 | -171.3 | -168.9 | -152.4 | 7.8 | 110.9 | L199 N203 N249 | L199-R201 PolarHBondContact O-N 2.88Å; R201-N203 PolarHBondContact O-N 3.48Å; R201-N249 WeakPolarHBondContact CD-OD1 3.36Å; R201-N249 PolarHBondContact NE-ND2 3.45Å; R201-N249 PolarHBondContact NE-OD1 3.29Å; R201-N249 VanDerWaalsContact NE-OD1 3.08Å; R201-N249 VanDerWaalsContact NH1-CB 3.28Å; R201-N249 VanDerWaalsContact NH1-CG 3.27Å; R201-N249 VanDerWaalsContact NH1-N 3.19Å; R201-N249 PolarHBondContact NH1-OD1 2.92Å; R201-N249 VanDerWaalsContact NH2-CB 3.28Å; R201-N249 PolarHBondContact NH2-ND2 2.95Å |
| 202 | I | 80.9 | Confident | 81.9 | Confident | 27 Ų | 27 | 87.4 Ų | 87.4 | 14% | 0.138 | 46% | 0.463 | C | S | . | . | trans | -82.4 | 112.9 | 175.4 | -53.3 | 178.5 | 0 | 0 | 0 | 108.6 | V125 L179 F183 V186 P200 | V125-I202 HydrophobicContact CG1-CD1 4.48Å; L179-I202 HydrophobicContact CD1-CG2 3.53Å; F183-I202 HydrophobicContact CD1-CD1 3.24Å; F183-I202 HydrophobicContact CD1-CG2 4.35Å; F183-I202 HydrophobicContact CD2-CG2 4.32Å; F183-I202 HydrophobicContact CE1-CB 4.36Å; F183-I202 HydrophobicContact CE1-CD1 3.41Å; F183-I202 VanDerWaalsContact CE1-CD1 3.41Å; F183-I202 HydrophobicContact CE1-CG1 4.48Å; F183-I202 HydrophobicContact CE1-CG2 3.9Å; F183-I202 HydrophobicContact CE2-CG2 3.88Å; F183-I202 HydrophobicContact CG-CD1 3.96Å; F183-I202 HydrophobicContact CZ-CB 4.48Å; F183-I202 HydrophobicContact CZ-CD1 4.26Å; F183-I202 HydrophobicContact CZ-CG2 3.64Å; V186-I202 HydrophobicContact CB-CD1 4.01Å; V186-I202 HydrophobicContact CG1-CD1 4.16Å; V186-I202 HydrophobicContact CG2-CD1 3.87Å; V186-I202 HydrophobicContact CG2-CG1 4.01Å; P200-I202 PolarHBondContact O-N 3.41Å | ||
| 203 | N | 78 | Confident | 80.4 | Confident | 111 Ų | 111 | 82.9 Ų | 82.9 | 59% | 0.594 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -88.2 | 120.5 | 174.7 | -68.1 | -61.1 | 0 | 0 | 0 | 109.5 | R201 | R201-N203 PolarHBondContact O-N 3.48Š|
| 204 | V | 78.8 | Confident | 78.8 | Confident | 47 Ų | 47 | 91.2 Ų | 91.2 | 29% | 0.285 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 120.8 | 173.5 | -177.7 | 0 | 0 | 0 | 0 | 108.2 | A132 | A132-V204 HydrophobicContact CB-CG1 4.12Å; A132-V204 HydrophobicContact CB-CG2 4.24Å |
| 205 | P | 76.3 | Confident | 77.1 | Confident | 45 Ų | 45 | 88.4 Ų | 88.4 | 29% | 0.292 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 139 | -179.3 | 28.6 | -34.7 | 0 | 0 | 0 | 111.1 | S175 L179 | S175-P205 WeakPolarHBondContact OG-CG 3.35Å; L179-P205 HydrophobicContact CD2-CG 4.48Å |
| 206 | T | 81.1 | Confident | 75 | Confident | 134 Ų | 134 | 87.5 Ų | 87.5 | 82% | 0.822 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 132.5 | 174.9 | -23.3 | 0 | 0 | 0 | 0 | 109.9 | ||
| 207 | L | 85.3 | Confident | 73.4 | Confident | 49 Ų | 49 | 87.3 Ų | 87.3 | 26% | 0.257 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -91.8 | 135.3 | -177.4 | -63.4 | 171.8 | 0 | 0 | 0 | 111.1 | I136 W139 V172 | I136-L207 HydrophobicContact CG1-CD1 4.04Å; I136-L207 HydrophobicContact CG1-CD2 4.27Å; W139-L207 HydrophobicContact CB-CD1 3.71Å; W139-L207 HydrophobicContact CD2-CD2 4.38Å; W139-L207 HydrophobicContact CG-CB 4.13Å; W139-L207 HydrophobicContact CG-CD1 3.99Å; W139-L207 HydrophobicContact CG-CD2 4.48Å; W139-L207 HydrophobicContact CG-CG 4.43Å; V172-L207 HydrophobicContact CB-CD2 4.47Å; V172-L207 HydrophobicContact CG1-CD2 3.62Å; V172-L207 HydrophobicContact CG2-CD2 3.95Å |
| 208 | P | 85.6 | Confident | 71.4 | Confident | 48 Ų | 48 | 83.8 Ų | 83.8 | 31% | 0.312 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 142.6 | 176.2 | -21.5 | 31.7 | 0 | 0 | 0 | 112.2 | W139 W165 V210 | W139-P208 HydrophobicContact CZ2-CB 4.41Å; W139-P208 HydrophobicContact CZ2-CG 4.2Å; W139-P208 PolarHBondContact NE1-O 3.28Å; W165-P208 HydrophobicContact CH2-CB 4.31Å; W165-P208 HydrophobicContact CZ3-CB 4.38Å; P208-V210 PolarHBondContact O-N 3.01Å |
| 209 | H | 86.5 | Confident | 69.6 | Low | 160 Ų | 160 | 88.6 Ų | 88.6 | 74% | 0.741 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 127.2 | 176.2 | -174.3 | 63.7 | 0 | 0 | 0 | 111.8 | W165 P211 | W165-H209 WeakPolarHBondContact CH2-O 3.47Å; H209-P211 WeakPolarHBondContact O-CD 3.31Å |
| 210 | V | 86.7 | Confident | 67.4 | Low | 13 Ų | 13 | 96.2 Ų | 96.2 | 8% | 0.079 | 55% | 0.546 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 121.7 | 177.9 | -171.1 | 0 | 0 | 0 | 0 | 109.5 | E142 V143 Y146 P208 | E142-V210 HydrophobicContact CB-CG2 4.15Å; V143-V210 HydrophobicContact CG2-CG1 4.36Å; V143-V210 HydrophobicContact CG2-CG2 3.45Å; V143-V210 VanDerWaalsContact CG2-CG2 3.45Å; Y146-V210 HydrophobicContact CD2-CG1 4.35Å; Y146-V210 HydrophobicContact CG-CG1 3.98Å; P208-V210 PolarHBondContact O-N 3.01Å |
| 211 | P | 83.4 | Confident | 65.4 | Low | 53 Ų | 53 | 94.2 Ų | 94.2 | 34% | 0.344 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 138.5 | 178.4 | -22.2 | 32.8 | 0 | 0 | 0 | 111.6 | Y146 W165 H209 | Y146-P211 WeakPolarHBondContact CD2-O 3.49Å; Y146-P211 HydrophobicContact CE2-CB 4.18Å; Y146-P211 WeakPolarHBondContact CE2-O 3.46Å; W165-P211 HydrophobicContact CH2-CG 4.45Å; W165-P211 HydrophobicContact CZ2-CG 3.64Å; H209-P211 WeakPolarHBondContact O-CD 3.31Å |
| 212 | M | 70.9 | Confident | 63.7 | Low | 156 Ų | 156 | 95 Ų | 95 | 77% | 0.768 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -80 | 123.6 | 168.3 | -63.8 | -171.4 | -66.1 | 0 | 0 | 109.4 | R214 | M212-R214 PolarHBondContact O-N 3.48Š|
| 213 | V | 61.3 | Low | 61.5 | Low | 41 Ų | 41 | 100.6 Ų | 100.6 | 25% | 0.248 | 60% | 0.597 | C | S | . | * | trans | -71.2 | 112.4 | 169.4 | -174.5 | 0 | 0 | 0 | 0 | 107.6 | Y146 T149 L150 F154 H215 | Y146-V213 HydrophobicContact CD2-CG2 3.63Å; Y146-V213 HydrophobicContact CE2-CG2 3.43Å; Y146-V213 VanDerWaalsContact CE2-CG2 3.43Å; T149-V213 HydrophobicContact CG2-CB 4.38Å; T149-V213 HydrophobicContact CG2-CG1 4.38Å; T149-V213 HydrophobicContact CG2-CG2 4.27Å; L150-V213 HydrophobicContact CD2-CG2 4.42Å; F154-V213 HydrophobicContact CE2-CG1 4.06Å; V213-H215 PolarHBondContact O-N 3.5Å | ||
| 214 | R | 53.5 | Low | 59.4 | Low | 230 Ų | 230 | 98.8 Ų | 98.8 | 87% | 0.868 | 60% | 0.604 | S | S | * | * | trans | -82.1 | 106.9 | 173 | -72.7 | -174.1 | 171 | -176.5 | -1.8 | 108.4 | M212 | M212-R214 PolarHBondContact O-N 3.48Š| ||
| 215 | H | 50.6 | Low | 57.2 | Low | 92 Ų | 92 | 102.1 Ų | 102.1 | 43% | 0.426 | 63% | 0.63 | S | S | . | * | trans | -71.6 | 138.7 | 168.7 | -53.1 | -90.9 | 0 | 0 | 0 | 109.3 | E153 V213 G217 | E153-H215 IonicContact OE1-CE1 3.34Å; E153-H215 PolarHBondContact OE1-CE1 2.99Å; E153-H215 IonicContact OE1-ND1 3.85Å; E153-H215 IonicContact OE2-CE1 3.56Å; E153-H215 PolarHBondContact OE2-CE1 2.96Å; E153-H215 IonicContact OE2-ND1 3.98Å; E153-H215 PolarHBondContact OE2-ND1 2.81Å; V213-H215 PolarHBondContact O-N 3.5Å; H215-G217 PolarHBondContact O-N 3.34Å | ||
| 216 | A | 39.8 | Very low | 55.3 | Low | 120 Ų | 120 | 111.5 Ų | 111.5 | 99% | 0.992 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -71.3 | 76.7 | 166 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 217 | G | 43.4 | Very low | 53 | Low | 63 Ų | 63 | 116.6 Ų | 116.6 | 65% | 0.649 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 147.2 | 87.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | H215 | H215-G217 PolarHBondContact O-N 3.34Š|
| 218 | G | 39.5 | Very low | 50.4 | Low | 73 Ų | 73 | 118.1 Ų | 118.1 | 75% | 0.753 | 69% | 0.691 | S | S | * | * | trans | 89 | 127.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | L220 | G218-L220 PolarHBondContact O-N 2.97Š| ||
| 219 | L | 43.8 | Very low | 47.7 | Very low | 176 Ų | 176 | 119.2 Ų | 119.2 | 92% | 0.921 | 71% | 0.712 | S | S | * | * | trans | -70.4 | 111.7 | 174.7 | -72.6 | 160.4 | 0 | 0 | 0 | 110.9 | ||||
| 220 | L | 37.7 | Very low | 45 | Very low | 176 Ų | 176 | 120.2 Ų | 120.2 | 92% | 0.921 | 72% | 0.721 | S | S | * | * | trans | -116.1 | 88.9 | 148.7 | -76.1 | 168.6 | 0 | 0 | 0 | 107 | G218 | G218-L220 PolarHBondContact O-N 2.97Š| ||
| 221 | G | 36.1 | Very low | 42.5 | Very low | 54 Ų | 54 | 123.6 Ų | 123.6 | 56% | 0.557 | 76% | 0.759 | S | S | * | * | trans | -67.7 | 145.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | T223 | G221-T223 PolarHBondContact O-N 3.02Š| ||
| 222 | P | 38.3 | Very low | 39.9 | Very low | 128 Ų | 128 | 125 Ų | 125 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | -60.5 | 130.2 | 166.6 | 26.7 | -31.6 | 0 | 0 | 0 | 107.8 | G224 | P222-G224 PolarHBondContact O-N 3.29Š| ||
| 223 | T | 35.8 | Very low | 38.2 | Very low | 144 Ų | 144 | 127.2 Ų | 127.2 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | -51.9 | 105.5 | 174.3 | 45.6 | 0 | 0 | 0 | 0 | 109.4 | G221 S225 | G221-T223 PolarHBondContact O-N 3.02Å; T223-S225 PolarHBondContact O-N 3.08Å | ||
| 224 | G | 34.1 | Very low | 36.6 | Very low | 72 Ų | 72 | 134.6 Ų | 134.6 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | -64.9 | 114.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | P222 R226 | P222-G224 PolarHBondContact O-N 3.29Å; G224-R226 VanDerWaalsContact C-N 3.32Å; G224-R226 PolarHBondContact O-N 3.25Å; G224-R226 VanDerWaalsContact O-N 3.07Å | ||
| 225 | S | 31.1 | Very low | 35.2 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -72.1 | 94.6 | 156.8 | -162.1 | 0 | 0 | 0 | 0 | 107.2 | T223 R227 | T223-S225 PolarHBondContact O-N 3.08Å; S225-R227 PolarHBondContact O-N 3.16Å | ||
| 226 | R | 37.3 | Very low | 34.2 | Very low | 242 Ų | 242 | 136.6 Ų | 136.6 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | trans | -56.2 | 120.6 | 164 | -87.6 | 179.7 | -162.7 | -145.4 | 2.3 | 108.4 | G224 | G224-R226 VanDerWaalsContact C-N 3.32Å; G224-R226 PolarHBondContact O-N 3.25Å; G224-R226 VanDerWaalsContact O-N 3.07Å | ||
| 227 | R | 33.3 | Very low | 33.4 | Very low | 240 Ų | 240 | 138.3 Ų | 138.3 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | trans | -141 | 116.8 | 141.6 | -145.7 | 173.1 | -74.1 | -122.4 | 3.6 | 107.9 | S225 | S225-R227 PolarHBondContact O-N 3.16Š| ||
| 228 | G | 30.8 | Very low | 33 | Very low | 81 Ų | 81 | 139.9 Ų | 139.9 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -72.6 | 168.4 | -165.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 229 | G | 27.3 | Very low | 32.4 | Very low | 72 Ų | 72 | 145.4 Ų | 145.4 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | trans | 166.1 | 90 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 230 | L | 31.2 | Very low | 32.3 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 94% | 0.942 | 81% | 0.814 | S | S | * | * | trans | 53.1 | 112.3 | 149.7 | -63.1 | 163.2 | 0 | 0 | 0 | 118 | ||||
| 231 | G | 33.9 | Very low | 32 | Very low | 85 Ų | 85 | 138.1 Ų | 138.1 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | trans | -58.2 | 139.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 232 | S | 27.6 | Very low | 31.6 | Very low | 81 Ų | 81 | 141 Ų | 141 | 57% | 0.566 | 81% | 0.812 | S | S | * | * | trans | -123.9 | 112.9 | 156.5 | -144.6 | 0 | 0 | 0 | 0 | 107.7 | Y234 | S232-Y234 VanDerWaalsContact CB-CE2 3.47Å; S232-Y234 PolarHBondContact O-N 3.36Å; S232-Y234 WeakPolarHBondContact OG-CE2 3.37Å; S232-Y234 PolarHBondContact OG-OH 2.68Å | ||
| 233 | K | 36.4 | Very low | 31.1 | Very low | 203 Ų | 203 | 142.2 Ų | 142.2 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -66.3 | 120.5 | 170.9 | -85.4 | 177.3 | 171.8 | 177.1 | 0 | 107.5 | ||||
| 234 | Y | 27 | Very low | 30.7 | Very low | 197 Ų | 197 | 140 Ų | 140 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -134.6 | 127.1 | 160.1 | -66 | -69.5 | 0 | 0 | 0 | 111.3 | S232 | S232-Y234 VanDerWaalsContact CB-CE2 3.47Å; S232-Y234 PolarHBondContact O-N 3.36Å; S232-Y234 WeakPolarHBondContact OG-CE2 3.37Å; S232-Y234 PolarHBondContact OG-OH 2.68Å | ||
| 235 | F | 24.4 | Very low | 30.4 | Very low | 209 Ų | 209 | 141.2 Ų | 141.2 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -61.3 | 147.3 | 164.7 | -91.5 | -109.1 | 0 | 0 | 0 | 110.1 | ||||
| 236 | I | 29.6 | Very low | 30.4 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 80% | 0.795 | 78% | 0.777 | S | S | * | * | trans | -82.9 | 131.5 | 167.7 | -60 | 173.5 | 0 | 0 | 0 | 106.7 | ||||
| 237 | D | 23 | Very low | 30.1 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | -129.9 | 147.9 | 153.1 | -146.4 | -5.4 | 0 | 0 | 0 | 111.2 | ||||
| 238 | S | 35.1 | Very low | 30.5 | Very low | 95 Ų | 95 | 130.2 Ų | 130.2 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | trans | -102.3 | 91.8 | -166.6 | -42 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 239 | E | 27.8 | Very low | 30.8 | Very low | 189 Ų | 189 | 130.2 Ų | 130.2 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -176.3 | 134.5 | 144.1 | -103.3 | 174.2 | -158.2 | 0 | 0 | 110.2 | T241 | E239-T241 PolarHBondContact O-N 3Å; E239-T241 VanDerWaalsContact O-N 3.13Å |
| 240 | G | 39.8 | Very low | 31.3 | Very low | 77 Ų | 77 | 136.6 Ų | 136.6 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -65 | 113.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 241 | T | 32 | Very low | 31.4 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | 177.7 | 114.3 | 126.7 | -62.6 | 0 | 0 | 0 | 0 | 105.7 | E239 | E239-T241 PolarHBondContact O-N 3Å; E239-T241 VanDerWaalsContact O-N 3.13Å | |||
| 242 | V | 27.3 | Very low | 31.2 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 70% | 0.703 | 72% | 0.716 | S | S | * | * | trans | -125.2 | 94.9 | 174.9 | -159 | 0 | 0 | 0 | 0 | 109.8 | V244 | V242-V244 HydrophobicContact CG1-CG2 3.29Å; V242-V244 PolarHBondContact O-N 3.29Å | ||
| 243 | N | 29.2 | Very low | 31.2 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -77.4 | 96.3 | 154.6 | -79.3 | -43.3 | 0 | 0 | 0 | 107.2 | ||||
| 244 | V | 27.5 | Very low | 30.9 | Very low | 98 Ų | 98 | 138.3 Ų | 138.3 | 59% | 0.594 | 72% | 0.719 | S | S | * | * | trans | -96.9 | 102.2 | 159.6 | -170.9 | 0 | 0 | 0 | 0 | 107.1 | V242 T246 | V242-V244 HydrophobicContact CG1-CG2 3.29Å; V242-V244 PolarHBondContact O-N 3.29Å; V244-T246 VanDerWaalsContact C-N 3.29Å; V244-T246 HydrophobicContact CG1-CG2 4.14Å; V244-T246 PolarHBondContact O-N 2.83Å | ||
| 245 | V | 27.6 | Very low | 31.2 | Very low | 97 Ų | 97 | 135.3 Ų | 135.3 | 59% | 0.588 | 72% | 0.721 | S | S | * | * | trans | -68.8 | 96.1 | 159.4 | 178.5 | 0 | 0 | 0 | 0 | 105.9 | H247 | V245-H247 VanDerWaalsContact C-N 3.29Å; V245-H247 PolarHBondContact O-N 2.9Å | ||
| 246 | T | 30.6 | Very low | 31.9 | Very low | 89 Ų | 89 | 133.8 Ų | 133.8 | 55% | 0.546 | 72% | 0.717 | S | S | . | * | trans | -68.2 | 99.4 | 160 | 49.8 | 0 | 0 | 0 | 0 | 106.2 | V244 F248 | V244-T246 VanDerWaalsContact C-N 3.29Å; V244-T246 HydrophobicContact CG1-CG2 4.14Å; V244-T246 PolarHBondContact O-N 2.83Å; T246-F248 VanDerWaalsContact C-N 3.27Å; T246-F248 HydrophobicContact CG2-CE2 4.47Å; T246-F248 PolarHBondContact O-N 3.36Å | ||
| 247 | H | 31.4 | Very low | 32.2 | Very low | 144 Ų | 144 | 133.7 Ų | 133.7 | 67% | 0.667 | 72% | 0.716 | S | S | * | * | trans | -58.9 | 93.1 | 169.7 | -85.3 | -99.2 | 0 | 0 | 0 | 108.5 | V245 N249 | V245-H247 VanDerWaalsContact C-N 3.29Å; V245-H247 PolarHBondContact O-N 2.9Å; H247-N249 VanDerWaalsContact C-N 3.31Å | ||
| 248 | F | 41 | Very low | 32.6 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 60% | 0.596 | 72% | 0.717 | S | S | * | * | trans | -97.4 | 44.6 | 168.5 | -90.2 | -81.4 | 0 | 0 | 0 | 110.6 | T246 L251 | T246-F248 VanDerWaalsContact C-N 3.27Å; T246-F248 HydrophobicContact CG2-CE2 4.47Å; T246-F248 PolarHBondContact O-N 3.36Å; F248-L251 HydrophobicContact CD1-CD2 4.28Å; F248-L251 HydrophobicContact CE1-CD2 4.14Å | ||
| 249 | N | 37.7 | Very low | 32.5 | Very low | 81 Ų | 81 | 136.3 Ų | 136.3 | 43% | 0.433 | 72% | 0.723 | S | S | . | * | S | Bend | trans | -104 | 125 | 154.4 | -85.5 | 20.5 | 0 | 0 | 0 | 106.6 | R201 H247 | R201-N249 WeakPolarHBondContact CD-OD1 3.36Å; R201-N249 PolarHBondContact NE-ND2 3.45Å; R201-N249 PolarHBondContact NE-OD1 3.29Å; R201-N249 VanDerWaalsContact NE-OD1 3.08Å; R201-N249 VanDerWaalsContact NH1-CB 3.28Å; R201-N249 VanDerWaalsContact NH1-CG 3.27Å; R201-N249 VanDerWaalsContact NH1-N 3.19Å; R201-N249 PolarHBondContact NH1-OD1 2.92Å; R201-N249 VanDerWaalsContact NH2-CB 3.28Å; R201-N249 PolarHBondContact NH2-ND2 2.95Å; H247-N249 VanDerWaalsContact C-N 3.31Å |
| 250 | R | 36.3 | Very low | 32.7 | Very low | 206 Ų | 206 | 131.1 Ų | 131.1 | 78% | 0.777 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 76.5 | 86.6 | -176.2 | -161.9 | 175.3 | -87.9 | -125.5 | -1.6 | 112.1 | E252 | R250-E252 PolarHBondContact O-N 3.48Š|
| 251 | L | 34.6 | Very low | 32.6 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 60% | 0.597 | 70% | 0.704 | S | S | * | * | trans | -52.9 | 110.5 | 155.8 | -74.9 | 162.6 | 0 | 0 | 0 | 107.3 | F248 F253 | F248-L251 HydrophobicContact CD1-CD2 4.28Å; F248-L251 HydrophobicContact CE1-CD2 4.14Å; L251-F253 PolarHBondContact O-N 2.93Å; L251-F253 VanDerWaalsContact O-N 3.17Å | ||
| 252 | E | 28.7 | Very low | 33.2 | Very low | 183 Ų | 183 | 131.7 Ų | 131.7 | 86% | 0.855 | 69% | 0.693 | S | S | * | * | trans | -62.2 | 110.2 | 154.6 | -69.5 | -147.9 | 145.5 | 0 | 0 | 106.8 | R250 | R250-E252 PolarHBondContact O-N 3.48Š| ||
| 253 | F | 28.5 | Very low | 33.6 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 74% | 0.737 | 69% | 0.693 | S | S | * | * | trans | -65.4 | 132.7 | 169.2 | -76 | -93.5 | 0 | 0 | 0 | 108.1 | L251 T255 | L251-F253 PolarHBondContact O-N 2.93Å; L251-F253 VanDerWaalsContact O-N 3.17Å; F253-T255 PolarHBondContact O-N 3.12Å; F253-T255 VanDerWaalsContact O-N 3.07Å | ||
| 254 | P | 29.1 | Very low | 33.9 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 77% | 0.773 | 69% | 0.686 | S | S | * | * | trans | -56.2 | 118.8 | 164.9 | -18.6 | 30.2 | 0 | 0 | 0 | 108.2 | Q256 | P254-Q256 PolarHBondContact O-N 3.35Š| ||
| 255 | T | 33.2 | Very low | 34.6 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 83% | 0.828 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -62.5 | 84.9 | 168.5 | 41.8 | 0 | 0 | 0 | 0 | 109 | F253 | F253-T255 PolarHBondContact O-N 3.12Å; F253-T255 VanDerWaalsContact O-N 3.07Å |
| 256 | Q | 39.3 | Very low | 35.1 | Very low | 176 Ų | 176 | 133.8 Ų | 133.8 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | trans | -177.2 | 125.6 | 150.1 | -102 | 160.9 | 43.3 | 0 | 0 | 108.8 | P254 | P254-Q256 PolarHBondContact O-N 3.35Š| ||
| 257 | I | 36.9 | Very low | 35.4 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 100.8 | 110.1 | 168.6 | -51.6 | 163.1 | 0 | 0 | 0 | 113.8 | ||
| 258 | F | 30.4 | Very low | 35.3 | Very low | 192 Ų | 192 | 139.6 Ų | 139.6 | 84% | 0.842 | 71% | 0.706 | S | S | * | * | trans | 78.2 | 94.3 | -178.5 | -65.1 | -74.9 | 0 | 0 | 0 | 117.6 | C260 | F258-C260 VanDerWaalsContact C-N 3.28Å; F258-C260 PolarHBondContact O-N 3.06Å | ||
| 259 | S | 34.2 | Very low | 34.9 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | trans | -57.6 | 88.7 | 157.2 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 260 | C | 31.6 | Very low | 34.5 | Very low | 81 Ų | 81 | 143.5 Ų | 143.5 | 55% | 0.547 | 72% | 0.719 | S | S | . | * | trans | -87.6 | 104.4 | 164.8 | -173.1 | 0 | 0 | 0 | 0 | 107.9 | F258 S262 C263 | F258-C260 VanDerWaalsContact C-N 3.28Å; F258-C260 PolarHBondContact O-N 3.06Å; C260-S262 PolarHBondContact O-N 3.45Å; C260-S262 WeakPolarHBondContact SG-CB 3.42Å; C260-C263 PolarHBondContact O-N 3.44Å | ||
| 261 | N | 38.2 | Very low | 34.4 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | 0.2 | 174.5 | -81.6 | -7.2 | 0 | 0 | 0 | 113.8 | ||
| 262 | S | 43.5 | Very low | 34.3 | Very low | 76 Ų | 76 | 139.7 Ų | 139.7 | 53% | 0.531 | 73% | 0.725 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.4 | -21.6 | -176.9 | -156 | 0 | 0 | 0 | 0 | 114.3 | C260 V264 I265 | C260-S262 PolarHBondContact O-N 3.45Å; C260-S262 WeakPolarHBondContact SG-CB 3.42Å; S262-V264 VanDerWaalsContact C-N 3.32Å; S262-V264 PolarHBondContact O-N 2.96Å; S262-I265 PolarHBondContact O-N 3.13Å |
| 263 | C | 35.5 | Very low | 34.9 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 70% | 0.696 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -76.2 | -15.8 | 180 | -85.8 | 0 | 0 | 0 | 0 | 114.2 | C260 I265 | C260-C263 PolarHBondContact O-N 3.44Å; C263-I265 PolarHBondContact O-N 3.39Å |
| 264 | V | 36.9 | Very low | 35.1 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 67% | 0.673 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -72 | -15.1 | 176 | -161.6 | 0 | 0 | 0 | 0 | 111.6 | S262 | S262-V264 VanDerWaalsContact C-N 3.32Å; S262-V264 PolarHBondContact O-N 2.96Å |
| 265 | I | 40.6 | Very low | 35.6 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 62% | 0.621 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -80.4 | -18.8 | -172.3 | -57 | -169.9 | 0 | 0 | 0 | 113.1 | S262 C263 | S262-I265 PolarHBondContact O-N 3.13Å; C263-I265 PolarHBondContact O-N 3.39Å |
| 266 | R | 39.6 | Very low | 35.7 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 65% | 0.653 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -83.3 | -5.6 | 177.9 | -74.1 | -160.3 | -173.6 | -170.8 | 9.1 | 115.1 | E121 E197 | E121-R266 IonicContact OE1-CZ 3.14Å; E121-R266 IonicContact OE1-NH1 3.43Å; E121-R266 IonicContact OE1-NH2 3.73Å; E121-R266 PolarHBondContact OE1-NH2 3.41Å; E121-R266 VanDerWaalsContact OE1-NH2 3.08Å; E197-R266 IonicContact OE1-NH1 2.84Å |
| 267 | L | 35.9 | Very low | 35.5 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 72% | 0.723 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -103.6 | 3.3 | 173.7 | -98 | 148.6 | 0 | 0 | 0 | 114 | ||
| 268 | W | 29 | Very low | 35.6 | Very low | 216 Ų | 216 | 134.3 Ų | 134.3 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | -120.5 | 75.6 | 172.3 | -115 | 45.8 | 0 | 0 | 0 | 110.3 | P270 | W268-P270 WeakPolarHBondContact O-CD 3.43Š| ||
| 269 | R | 33.7 | Very low | 35.8 | Very low | 235 Ų | 235 | 130.2 Ų | 130.2 | 89% | 0.887 | 71% | 0.712 | S | S | * | * | trans | -103.8 | 84.5 | 148.1 | -175.1 | -178 | -75.3 | -100.1 | 4.7 | 107.1 | ||||
| 270 | P | 29.1 | Very low | 35.8 | Very low | 64 Ų | 64 | 133.4 Ų | 133.4 | 42% | 0.416 | 72% | 0.719 | S | S | . | * | trans | -65.7 | 147.1 | 158 | 19.6 | -11.4 | 0 | 0 | 0 | 107.5 | W268 V272 | W268-P270 WeakPolarHBondContact O-CD 3.43Å; P270-V272 PolarHBondContact O-N 3.45Å | ||
| 271 | P | 34.3 | Very low | 36.1 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | -61 | 110.3 | 164.5 | 26.9 | -29.1 | 0 | 0 | 0 | 106.1 | R273 | P271-R273 PolarHBondContact O-N 2.92Š| ||
| 272 | V | 32.3 | Very low | 36 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | trans | -68.4 | 85.6 | 170.7 | -178.8 | 0 | 0 | 0 | 0 | 106.5 | P270 V274 | P270-V272 PolarHBondContact O-N 3.45Å; V272-V274 HydrophobicContact CG1-CG2 4.08Å; V272-V274 PolarHBondContact O-N 3.43Å | ||
| 273 | R | 40.8 | Very low | 35.4 | Very low | 222 Ų | 222 | 134.5 Ų | 134.5 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | trans | -67.9 | 118.2 | 142.4 | -80.3 | -172.5 | -166.7 | -135.4 | 1.7 | 104.9 | P271 T275 | P271-R273 PolarHBondContact O-N 2.92Å; R273-T275 VanDerWaalsContact C-N 3.26Å; R273-T275 PolarHBondContact O-N 2.87Å | ||
| 274 | V | 33.2 | Very low | 35.7 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | trans | -65.7 | 92.9 | 171.5 | -173.8 | 0 | 0 | 0 | 0 | 106.9 | V272 | V272-V274 HydrophobicContact CG1-CG2 4.08Å; V272-V274 PolarHBondContact O-N 3.43Å | ||
| 275 | T | 39.6 | Very low | 35.6 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 129.1 | 156.7 | 46.7 | 0 | 0 | 0 | 0 | 107.2 | R273 | R273-T275 VanDerWaalsContact C-N 3.26Å; R273-T275 PolarHBondContact O-N 2.87Å |
| 276 | P | 34.9 | Very low | 35.4 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 144.9 | -178.6 | 26.5 | -31.8 | 0 | 0 | 0 | 111 | ||
| 277 | P | 35.8 | Very low | 35.4 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 152 | 178.4 | 28.7 | -32.3 | 0 | 0 | 0 | 111.7 | S279 | P277-S279 PolarHBondContact O-N 3.41Š|
| 278 | P | 38.1 | Very low | 35.6 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 129.3 | 173.7 | 29.4 | -31.1 | 0 | 0 | 0 | 109.6 | L280 | P278-L280 PolarHBondContact O-N 3.13Š|
| 279 | S | 35.3 | Very low | 36.2 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 117.1 | 174.5 | 44.5 | 0 | 0 | 0 | 0 | 110.3 | P277 S281 | P277-S279 PolarHBondContact O-N 3.41Å; S279-S281 VanDerWaalsContact C-N 3.32Å; S279-S281 PolarHBondContact O-N 3.22Å |
| 280 | L | 33.3 | Very low | 36.6 | Very low | 181 Ų | 181 | 120.8 Ų | 120.8 | 95% | 0.948 | 73% | 0.731 | S | S | * | * | trans | -88.5 | 78.7 | 162.7 | -73.1 | 172.9 | 0 | 0 | 0 | 108.3 | P278 | P278-L280 PolarHBondContact O-N 3.13Š| ||
| 281 | S | 39.3 | Very low | 37.7 | Very low | 83 Ų | 83 | 123 Ų | 123 | 58% | 0.58 | 75% | 0.746 | S | S | * | * | trans | -103.5 | 145.9 | 156.6 | -61.8 | 0 | 0 | 0 | 0 | 107.8 | S279 S283 | S279-S281 VanDerWaalsContact C-N 3.32Å; S279-S281 PolarHBondContact O-N 3.22Å; S281-S283 PolarHBondContact O-N 3.11Å | ||
| 282 | P | 34.6 | Very low | 38.5 | Very low | 132 Ų | 132 | 124.8 Ų | 124.8 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | trans | -63.3 | 106 | 171.7 | 26.8 | -30.2 | 0 | 0 | 0 | 107.6 | ||||
| 283 | S | 32.5 | Very low | 40.1 | Very low | 100 Ų | 100 | 125.4 Ų | 125.4 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 135.6 | 176.2 | -62.5 | 0 | 0 | 0 | 0 | 109.1 | S281 | S281-S283 PolarHBondContact O-N 3.11Š|
| 284 | P | 40.4 | Very low | 41.7 | Very low | 106 Ų | 106 | 118.8 Ų | 118.8 | 69% | 0.688 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 156.8 | 162.3 | 29.6 | -32.4 | 0 | 0 | 0 | 109 | V286 | P284-V286 PolarHBondContact O-N 2.99Å; P284-V286 VanDerWaalsContact O-N 3.16Å |
| 285 | P | 35.1 | Very low | 43.7 | Very low | 122 Ų | 122 | 118.7 Ų | 118.7 | 79% | 0.792 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 125 | -172.6 | 23 | -31.8 | 0 | 0 | 0 | 110.5 | L287 | P285-L287 PolarHBondContact O-N 3.17Š|
| 286 | V | 36.8 | Very low | 45.6 | Very low | 136 Ų | 136 | 120.2 Ų | 120.2 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | trans | -62.6 | 103.6 | 173.7 | 175.8 | 0 | 0 | 0 | 0 | 108 | P284 | P284-V286 PolarHBondContact O-N 2.99Å; P284-V286 VanDerWaalsContact O-N 3.16Å | ||
| 287 | L | 39.6 | Very low | 47.8 | Very low | 149 Ų | 149 | 116.2 Ų | 116.2 | 78% | 0.78 | 68% | 0.679 | S | S | * | * | trans | -87.4 | 135.7 | 159.2 | -77.1 | 165.7 | 0 | 0 | 0 | 108.3 | P285 L289 | P285-L287 PolarHBondContact O-N 3.17Å; L287-L289 PolarHBondContact O-N 3.39Å | ||
| 288 | P | 39.9 | Very low | 49.9 | Very low | 119 Ų | 119 | 111.6 Ų | 111.6 | 77% | 0.773 | 65% | 0.647 | S | S | * | * | trans | -58.7 | 129 | 179.9 | 21.5 | -30.1 | 0 | 0 | 0 | 110.8 | G290 | P288-G290 PolarHBondContact O-N 2.97Å; P288-G290 VanDerWaalsContact O-N 3.09Å | ||
| 289 | L | 41.7 | Very low | 52 | Low | 138 Ų | 138 | 112.5 Ų | 112.5 | 72% | 0.723 | 64% | 0.641 | S | S | * | * | trans | -70.5 | 101.9 | -178.3 | -152.9 | 75 | 0 | 0 | 0 | 109 | L287 K293 | L287-L289 PolarHBondContact O-N 3.39Å; L289-K293 HydrophobicContact CD1-CD 3.72Å; L289-K293 HydrophobicContact CG-CD 4.23Å | ||
| 290 | G | 41.8 | Very low | 54.2 | Low | 39 Ų | 39 | 113.2 Ų | 113.2 | 40% | 0.402 | 63% | 0.631 | S | S | . | * | trans | -68.2 | 162.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | P288 E292 | P288-G290 PolarHBondContact O-N 2.97Å; P288-G290 VanDerWaalsContact O-N 3.09Å; G290-E292 PolarHBondContact O-N 2.96Å; G290-E292 VanDerWaalsContact O-N 3.08Å | ||
| 291 | P | 53.1 | Low | 56.6 | Low | 112 Ų | 112 | 104.6 Ų | 104.6 | 73% | 0.727 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -19.1 | -177.4 | 21.9 | -32.7 | 0 | 0 | 0 | 115.1 | K293 L294 | P291-K293 VanDerWaalsContact C-N 3.35Å; P291-K293 PolarHBondContact O-N 3.38Å; P291-L294 PolarHBondContact O-N 3.42Å |
| 292 | E | 51 | Low | 58.5 | Low | 156 Ų | 156 | 101.9 Ų | 101.9 | 73% | 0.729 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.7 | -26.2 | -175.9 | -61.5 | -173.6 | 156.5 | 0 | 0 | 114.8 | G290 K296 | G290-E292 PolarHBondContact O-N 2.96Å; G290-E292 VanDerWaalsContact O-N 3.08Å; E292-K296 PolarHBondContact O-N 3.29Å |
| 293 | K | 65.6 | Low | 60.8 | Low | 134 Ų | 134 | 99.7 Ų | 99.7 | 58% | 0.583 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -78.8 | -31.9 | -178.7 | -74.8 | -176.7 | 179.2 | -179.8 | 0 | 112.8 | L289 P291 V297 | L289-K293 HydrophobicContact CD1-CD 3.72Å; L289-K293 HydrophobicContact CG-CD 4.23Å; P291-K293 VanDerWaalsContact C-N 3.35Å; P291-K293 PolarHBondContact O-N 3.38Å; K293-V297 WeakPolarHBondContact O-CG2 3.41Å; K293-V297 PolarHBondContact O-N 2.92Å |
| 294 | L | 74.1 | Confident | 63 | Low | 82 Ų | 82 | 103 Ų | 103 | 43% | 0.429 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.1 | -39 | 176.7 | -178 | 64.2 | 0 | 0 | 0 | 110.6 | P291 V297 L298 M314 | P291-L294 PolarHBondContact O-N 3.42Å; L294-V297 PolarHBondContact O-N 3.19Å; L294-L298 HydrophobicContact CG-CD1 4.06Å; L294-L298 HydrophobicContact CG-CG 4.43Å; L294-L298 WeakPolarHBondContact O-CB 3.45Å; L294-L298 VanDerWaalsContact O-CG 3.3Å; L294-L298 WeakPolarHBondContact O-CG 3.24Å; L294-L298 PolarHBondContact O-N 3.21Å; L294-M314 HydrophobicContact CD1-SD 4.43Å; L294-M314 HydrophobicContact CD2-CE 4.32Å; L294-M314 HydrophobicContact CD2-SD 4.09Å; L294-M314 HydrophobicContact CG-SD 4.49Å |
| 295 | E | 74.7 | Confident | 64.9 | Low | 131 Ų | 131 | 99.2 Ų | 99.2 | 61% | 0.612 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.7 | -43.8 | 176.3 | -71.3 | -164 | 144.4 | 0 | 0 | 112.4 | V297 L298 E299 | E295-V297 VanDerWaalsContact C-N 3.29Å; E295-V297 PolarHBondContact O-N 3.35Å; E295-L298 PolarHBondContact O-N 2.9Å; E295-E299 WeakPolarHBondContact O-CB 3.23Å; E295-E299 PolarHBondContact O-N 2.89Å |
| 296 | K | 80.4 | Confident | 66.9 | Low | 149 Ų | 149 | 98.6 Ų | 98.6 | 65% | 0.648 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.3 | -35.5 | 174.3 | -83.4 | 179.4 | 176.3 | 173.6 | 0 | 113.4 | E292 K300 | E292-K296 PolarHBondContact O-N 3.29Å; K296-K300 PolarHBondContact O-N 2.96Å |
| 297 | V | 79.9 | Confident | 68.4 | Low | 30 Ų | 30 | 98.3 Ų | 98.3 | 18% | 0.182 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -71 | -43.2 | 175.9 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | K293 L294 E295 E299 K300 L301 V332 L335 | K293-V297 WeakPolarHBondContact O-CG2 3.41Å; K293-V297 PolarHBondContact O-N 2.92Å; L294-V297 PolarHBondContact O-N 3.19Å; E295-V297 VanDerWaalsContact C-N 3.29Å; E295-V297 PolarHBondContact O-N 3.35Å; V297-E299 VanDerWaalsContact C-N 3.29Å; V297-E299 PolarHBondContact O-N 3.11Å; V297-K300 PolarHBondContact O-N 3.41Å; V297-L301 HydrophobicContact CG1-CD1 3.83Å; V297-L301 HydrophobicContact CG1-CG 4.48Å; V297-L301 WeakPolarHBondContact O-CB 3.3Å; V297-L301 WeakPolarHBondContact O-CG 3.41Å; V297-L301 PolarHBondContact O-N 3.4Å; V297-V332 HydrophobicContact CG2-CG2 4.45Å; V297-L335 HydrophobicContact CG1-CD1 4.47Å |
| 298 | L | 80.5 | Confident | 70.1 | Confident | 19 Ų | 19 | 91.8 Ų | 91.8 | 10% | 0.099 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -63.4 | -35.7 | 175.1 | -71.9 | 170 | 0 | 0 | 0 | 112.2 | L294 E295 G302 L313 M314 L317 | L294-L298 HydrophobicContact CG-CD1 4.06Å; L294-L298 HydrophobicContact CG-CG 4.43Å; L294-L298 WeakPolarHBondContact O-CB 3.45Å; L294-L298 VanDerWaalsContact O-CG 3.3Å; L294-L298 WeakPolarHBondContact O-CG 3.24Å; L294-L298 PolarHBondContact O-N 3.21Å; E295-L298 PolarHBondContact O-N 2.9Å; L298-G302 PolarHBondContact O-N 3.01Å; L298-L313 HydrophobicContact CD2-CB 3.93Å; L298-M314 HydrophobicContact CD1-CG 4.14Å; L298-M314 HydrophobicContact CD1-SD 3.85Å; L298-M314 HydrophobicContact CD2-CG 3.94Å; L298-M314 HydrophobicContact CD2-SD 3.96Å; L298-M314 HydrophobicContact CG-SD 4.4Å; L298-L317 HydrophobicContact CD2-CD1 3.64Å |
| 299 | E | 81.9 | Confident | 71.9 | Confident | 139 Ų | 139 | 87.9 Ų | 87.9 | 65% | 0.65 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -69.4 | -45.3 | 176.6 | -165.9 | 175.2 | -160.6 | 0 | 0 | 111.5 | E295 V297 L301 G302 A303 | E295-E299 WeakPolarHBondContact O-CB 3.23Å; E295-E299 PolarHBondContact O-N 2.89Å; V297-E299 VanDerWaalsContact C-N 3.29Å; V297-E299 PolarHBondContact O-N 3.11Å; E299-L301 PolarHBondContact O-N 2.96Å; E299-G302 PolarHBondContact O-N 3.19Å; E299-A303 PolarHBondContact O-N 3.47Å |
| 300 | K | 82.4 | Confident | 73.6 | Confident | 121 Ų | 121 | 88.5 Ų | 88.5 | 53% | 0.526 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 173.7 | -81.3 | -171.3 | 171.5 | -164.3 | 0 | 113 | K296 V297 R304 V332 | K296-K300 PolarHBondContact O-N 2.96Å; V297-K300 PolarHBondContact O-N 3.41Å; K300-R304 WeakPolarHBondContact O-CG 3.44Å; K300-R304 PolarHBondContact O-N 3.4Å; K300-V332 HydrophobicContact CB-CG1 4.37Å; K300-V332 HydrophobicContact CD-CG1 3.93Å |
| 301 | L | 82.4 | Confident | 75.3 | Confident | 0 Ų | 0 | 91.6 Ų | 91.6 | 0% | 0 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -68.5 | -41.6 | 174.4 | -76.7 | 166.8 | 0 | 0 | 0 | 111.3 | V297 E299 A303 R304 F305 L313 L317 I336 V339 | V297-L301 HydrophobicContact CG1-CD1 3.83Å; V297-L301 HydrophobicContact CG1-CG 4.48Å; V297-L301 WeakPolarHBondContact O-CB 3.3Å; V297-L301 WeakPolarHBondContact O-CG 3.41Å; V297-L301 PolarHBondContact O-N 3.4Å; E299-L301 PolarHBondContact O-N 2.96Å; L301-A303 VanDerWaalsContact C-N 3.33Å; L301-A303 PolarHBondContact O-N 3.4Å; L301-R304 PolarHBondContact O-N 2.96Å; L301-F305 HydrophobicContact CD2-CD2 4.32Å; L301-F305 HydrophobicContact CD2-CE2 4.1Å; L301-F305 WeakPolarHBondContact O-CD2 3.42Å; L301-F305 PolarHBondContact O-N 3.41Å; L301-L313 HydrophobicContact CB-CD1 4.01Å; L301-L313 HydrophobicContact CB-CD2 4.14Å; L301-L317 HydrophobicContact CD1-CD1 3.85Å; L301-L317 HydrophobicContact CD1-CD2 4.26Å; L301-L317 HydrophobicContact CD1-CG 4.2Å; L301-I336 HydrophobicContact CD2-CB 4.32Å; L301-I336 HydrophobicContact CD2-CG1 3.65Å; L301-V339 HydrophobicContact CD2-CB 4.2Å; L301-V339 HydrophobicContact CD2-CG1 4.42Å; L301-V339 HydrophobicContact CD2-CG2 4.14Å |
| 302 | G | 80.2 | Confident | 76.4 | Confident | 26 Ų | 26 | 90.6 Ų | 90.6 | 27% | 0.268 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.5 | -35.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L298 E299 R304 F305 | L298-G302 PolarHBondContact O-N 3.01Å; E299-G302 PolarHBondContact O-N 3.19Å; G302-R304 VanDerWaalsContact C-N 3.31Å; G302-R304 PolarHBondContact O-N 3.34Å; G302-F305 CarbonylContact O-C 3.36Å |
| 303 | A | 83 | Confident | 78 | Confident | 85 Ų | 85 | 83.2 Ų | 83.2 | 70% | 0.702 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -67.1 | -29.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E299 L301 | E299-A303 PolarHBondContact O-N 3.47Å; L301-A303 VanDerWaalsContact C-N 3.33Å; L301-A303 PolarHBondContact O-N 3.4Å |
| 304 | R | 78.6 | Confident | 78.8 | Confident | 170 Ų | 170 | 80.5 Ų | 80.5 | 64% | 0.642 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -87 | -28.3 | 178.4 | -69 | -96 | -174 | -169.7 | 0.6 | 112.8 | K300 L301 G302 P306 I336 | K300-R304 WeakPolarHBondContact O-CG 3.44Å; K300-R304 PolarHBondContact O-N 3.4Å; L301-R304 PolarHBondContact O-N 2.96Å; G302-R304 VanDerWaalsContact C-N 3.31Å; G302-R304 PolarHBondContact O-N 3.34Å; R304-P306 VanDerWaalsContact C-CD 3.5Å; R304-I336 HydrophobicContact CB-CG2 4.4Å; R304-I336 HydrophobicContact CG-CD1 4.03Å; R304-I336 HydrophobicContact CG-CG1 4.36Å; R304-I336 HydrophobicContact CG-CG2 4.31Å |
| 305 | F | 80.7 | Confident | 79.1 | Confident | 27 Ų | 27 | 80 Ų | 80 | 12% | 0.118 | 42% | 0.423 | C | S | . | . | trans | -127.6 | 69.9 | -178.3 | -55.6 | -72.8 | 0 | 0 | 0 | 110.8 | L301 G302 Q307 C308 I336 V339 L343 | L301-F305 HydrophobicContact CD2-CD2 4.32Å; L301-F305 HydrophobicContact CD2-CE2 4.1Å; L301-F305 WeakPolarHBondContact O-CD2 3.42Å; L301-F305 PolarHBondContact O-N 3.41Å; G302-F305 CarbonylContact O-C 3.36Å; F305-Q307 VanDerWaalsContact C-OE1 3.27Å; F305-Q307 PolarHBondContact O-N 3.42Å; F305-Q307 VanDerWaalsContact O-N 3.08Å; F305-C308 HydrophobicContact CB-CB 4.34Å; F305-C308 PolarHBondContact O-N 3.07Å; F305-I336 HydrophobicContact CE2-CB 4.45Å; F305-I336 HydrophobicContact CE2-CG2 3.85Å; F305-I336 HydrophobicContact CZ-CG2 3.91Å; F305-I336 VanDerWaalsContact CZ-O 3.3Å; F305-I336 WeakPolarHBondContact CZ-O 3.35Å; F305-V339 HydrophobicContact CD2-CG1 4.11Å; F305-V339 HydrophobicContact CE2-CB 4.29Å; F305-V339 HydrophobicContact CE2-CG1 3.99Å; F305-L343 HydrophobicContact CB-CD1 4.27Å; F305-L343 HydrophobicContact CD1-CD1 3.68Å; F305-L343 HydrophobicContact CD2-CD1 4.49Å; F305-L343 HydrophobicContact CE1-CD1 4.12Å; F305-L343 HydrophobicContact CG-CD1 3.9Å | ||
| 306 | P | 77 | Confident | 79.5 | Confident | 109 Ų | 109 | 74.1 Ų | 74.1 | 71% | 0.708 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17.7 | -178.8 | 24.1 | -33.7 | 0 | 0 | 0 | 113.7 | R304 C308 | R304-P306 VanDerWaalsContact C-CD 3.5Å; P306-C308 PolarHBondContact O-N 3.45Å |
| 307 | Q | 68.4 | Low | 79.7 | Confident | 130 Ų | 130 | 67.4 Ų | 67.4 | 61% | 0.607 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -5.8 | 173.8 | 65.5 | -89.3 | 39.7 | 0 | 0 | 114.4 | F305 | F305-Q307 VanDerWaalsContact C-OE1 3.27Å; F305-Q307 PolarHBondContact O-N 3.42Å; F305-Q307 VanDerWaalsContact O-N 3.08Å |
| 308 | C | 74.7 | Confident | 79.7 | Confident | 11 Ų | 11 | 72 Ų | 72 | 7% | 0.074 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -118.9 | 122.3 | -175.9 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | F305 P306 L313 L343 | F305-C308 HydrophobicContact CB-CB 4.34Å; F305-C308 PolarHBondContact O-N 3.07Å; P306-C308 PolarHBondContact O-N 3.45Å; C308-L313 HydrophobicContact CB-CD2 3.88Å; C308-L313 HydrophobicContact CB-CG 4.02Å; C308-L343 WeakPolarHBondContact SG-CD2 3.43Å |
| 309 | G | 78.3 | Confident | 79.6 | Confident | 38 Ų | 38 | 75.5 Ų | 75.5 | 39% | 0.392 | 40% | 0.402 | S | S | . | . | trans | -70.4 | 156.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P311 Q312 L313 | G309-P311 VanDerWaalsContact C-CD 3.41Å; G309-P311 VanDerWaalsContact C-N 3.34Å; G309-Q312 WeakPolarHBondContact O-CA 3.28Å; G309-Q312 WeakPolarHBondContact O-CB 3.37Å; G309-Q312 PolarHBondContact O-N 3.07Å; G309-L313 PolarHBondContact O-N 3.32Å | ||
| 310 | K | 76.9 | Confident | 79.6 | Confident | 150 Ų | 150 | 68.9 Ų | 68.9 | 65% | 0.652 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -44.2 | -45.9 | 173.8 | -69.8 | -174.9 | 178.4 | -178.2 | 0 | 114.7 | Q312 L313 M314 | K310-Q312 VanDerWaalsContact C-N 3.32Å; K310-Q312 PolarHBondContact O-N 3.26Å; K310-L313 PolarHBondContact O-N 2.97Å; K310-M314 WeakPolarHBondContact O-CG 3.33Å; K310-M314 PolarHBondContact O-N 3.27Å; K310-M314 VanDerWaalsContact O-N 3.07Å |
| 311 | P | 77 | Confident | 79.5 | Confident | 104 Ų | 104 | 68.5 Ų | 68.5 | 68% | 0.675 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -68.3 | -29.7 | 177.8 | 26.4 | -35.1 | 0 | 0 | 0 | 113.4 | G309 S315 | G309-P311 VanDerWaalsContact C-CD 3.41Å; G309-P311 VanDerWaalsContact C-N 3.34Å; P311-S315 PolarHBondContact O-N 3.11Å |
| 312 | Q | 77.1 | Confident | 79.1 | Confident | 91 Ų | 91 | 73.2 Ų | 73.2 | 43% | 0.425 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -73 | -41.8 | 177.5 | -167.5 | 174.9 | 14.4 | 0 | 0 | 111.2 | G309 K310 M314 S315 L316 | G309-Q312 WeakPolarHBondContact O-CA 3.28Å; G309-Q312 WeakPolarHBondContact O-CB 3.37Å; G309-Q312 PolarHBondContact O-N 3.07Å; K310-Q312 VanDerWaalsContact C-N 3.32Å; K310-Q312 PolarHBondContact O-N 3.26Å; Q312-M314 VanDerWaalsContact C-N 3.31Å; Q312-M314 PolarHBondContact O-N 3.2Å; Q312-S315 WeakPolarHBondContact O-CB 3.38Å; Q312-S315 PolarHBondContact O-N 3.36Å; Q312-L316 HydrophobicContact CG-CD1 4.32Å; Q312-L316 WeakPolarHBondContact O-CD1 3.38Å; Q312-L316 WeakPolarHBondContact O-CG 3.44Å; Q312-L316 PolarHBondContact O-N 3.4Å |
| 313 | L | 84.6 | Confident | 78.7 | Confident | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.005 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61 | -40.4 | 172.3 | -69.3 | 173.9 | 0 | 0 | 0 | 111.8 | L298 L301 C308 G309 K310 L316 L317 V339 | L298-L313 HydrophobicContact CD2-CB 3.93Å; L301-L313 HydrophobicContact CB-CD1 4.01Å; L301-L313 HydrophobicContact CB-CD2 4.14Å; C308-L313 HydrophobicContact CB-CD2 3.88Å; C308-L313 HydrophobicContact CB-CG 4.02Å; G309-L313 PolarHBondContact O-N 3.32Å; K310-L313 PolarHBondContact O-N 2.97Å; L313-L316 PolarHBondContact O-N 2.67Å; L313-L317 WeakPolarHBondContact O-CB 3.21Å; L313-L317 WeakPolarHBondContact O-CD1 3.4Å; L313-L317 WeakPolarHBondContact O-CG 3.45Å; L313-L317 PolarHBondContact O-N 3.17Å; L313-V339 HydrophobicContact CD2-CG1 4.08Å |
| 314 | M | 81.9 | Confident | 78 | Confident | 77 Ų | 77 | 77.4 Ų | 77.4 | 38% | 0.379 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 173.6 | -80.1 | -67.6 | -66.5 | 0 | 0 | 112.5 | L294 L298 K310 Q312 L316 L317 Q318 | L294-M314 HydrophobicContact CD1-SD 4.43Å; L294-M314 HydrophobicContact CD2-CE 4.32Å; L294-M314 HydrophobicContact CD2-SD 4.09Å; L294-M314 HydrophobicContact CG-SD 4.49Å; L298-M314 HydrophobicContact CD1-CG 4.14Å; L298-M314 HydrophobicContact CD1-SD 3.85Å; L298-M314 HydrophobicContact CD2-CG 3.94Å; L298-M314 HydrophobicContact CD2-SD 3.96Å; L298-M314 HydrophobicContact CG-SD 4.4Å; K310-M314 WeakPolarHBondContact O-CG 3.33Å; K310-M314 PolarHBondContact O-N 3.27Å; K310-M314 VanDerWaalsContact O-N 3.07Å; Q312-M314 VanDerWaalsContact C-N 3.31Å; Q312-M314 PolarHBondContact O-N 3.2Å; M314-L316 PolarHBondContact O-N 2.75Å; M314-L317 PolarHBondContact O-N 2.91Å; M314-Q318 WeakPolarHBondContact O-CB 3.27Å; M314-Q318 PolarHBondContact O-N 3.04Å |
| 315 | S | 80.8 | Confident | 77.9 | Confident | 73 Ų | 73 | 72 Ų | 72 | 51% | 0.51 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 175.7 | -173.1 | 0 | 0 | 0 | 0 | 111.8 | P311 Q312 Q318 Q319 | P311-S315 PolarHBondContact O-N 3.11Å; Q312-S315 WeakPolarHBondContact O-CB 3.38Å; Q312-S315 PolarHBondContact O-N 3.36Å; S315-Q318 WeakPolarHBondContact O-CB 3.36Å; S315-Q318 PolarHBondContact O-N 2.85Å; S315-Q319 WeakPolarHBondContact O-CB 3.27Å; S315-Q319 PolarHBondContact O-N 3.47Å |
| 316 | L | 83.3 | Confident | 77.5 | Confident | 7 Ų | 7 | 74.4 Ų | 74.4 | 4% | 0.037 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 178.4 | -69.3 | 159 | 0 | 0 | 0 | 112.1 | Q312 L313 M314 Q318 Q319 V320 V339 K342 L343 | Q312-L316 HydrophobicContact CG-CD1 4.32Å; Q312-L316 WeakPolarHBondContact O-CD1 3.38Å; Q312-L316 WeakPolarHBondContact O-CG 3.44Å; Q312-L316 PolarHBondContact O-N 3.4Å; L313-L316 PolarHBondContact O-N 2.67Å; M314-L316 PolarHBondContact O-N 2.75Å; L316-Q318 VanDerWaalsContact C-N 3.28Å; L316-Q318 PolarHBondContact O-N 3.11Å; L316-Q319 WeakPolarHBondContact O-CB 3.46Å; L316-Q319 PolarHBondContact O-N 2.89Å; L316-V320 WeakPolarHBondContact O-CB 3.36Å; L316-V320 VanDerWaalsContact O-CG2 3.29Å; L316-V320 WeakPolarHBondContact O-CG2 3.45Å; L316-V320 PolarHBondContact O-N 2.91Å; L316-V339 HydrophobicContact CB-CG1 4.39Å; L316-V339 HydrophobicContact CB-CG2 4.47Å; L316-V339 HydrophobicContact CD1-CG1 4.14Å; L316-K342 HydrophobicContact CD2-CB 3.84Å; L316-L343 HydrophobicContact CD1-CD1 4.34Å; L316-L343 HydrophobicContact CD1-CD2 3.39Å; L316-L343 HydrophobicContact CD1-CG 3.75Å; L316-L343 HydrophobicContact CD2-CD2 4.33Å; L316-L343 HydrophobicContact CD2-CG 4.48Å; L316-L343 HydrophobicContact CG-CD2 4.5Å |
| 317 | L | 83.1 | Confident | 77.1 | Confident | 8 Ų | 8 | 71.7 Ų | 71.7 | 4% | 0.042 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.9 | -40.4 | 171.9 | -83.7 | 158.4 | 0 | 0 | 0 | 111.6 | L298 L301 L313 M314 V320 K321 L327 L335 | L298-L317 HydrophobicContact CD2-CD1 3.64Å; L301-L317 HydrophobicContact CD1-CD1 3.85Å; L301-L317 HydrophobicContact CD1-CD2 4.26Å; L301-L317 HydrophobicContact CD1-CG 4.2Å; L313-L317 WeakPolarHBondContact O-CB 3.21Å; L313-L317 WeakPolarHBondContact O-CD1 3.4Å; L313-L317 WeakPolarHBondContact O-CG 3.45Å; L313-L317 PolarHBondContact O-N 3.17Å; M314-L317 PolarHBondContact O-N 2.91Å; L317-V320 PolarHBondContact O-N 3.08Å; L317-K321 VanDerWaalsContact O-CB 3.3Å; L317-K321 WeakPolarHBondContact O-CB 3.4Å; L317-K321 PolarHBondContact O-N 2.99Å; L317-L327 HydrophobicContact CD2-CD1 4.34Å; L317-L335 HydrophobicContact CD2-CD2 3.47Å; L317-L335 VanDerWaalsContact CD2-CD2 3.47Å |
| 318 | Q | 80.9 | Confident | 77.3 | Confident | 127 Ų | 127 | 69.1 Ų | 69.1 | 59% | 0.593 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -69.9 | -34.2 | 176.8 | -170.4 | 165.3 | -11.6 | 0 | 0 | 112.2 | M314 S315 L316 K321 S322 | M314-Q318 WeakPolarHBondContact O-CB 3.27Å; M314-Q318 PolarHBondContact O-N 3.04Å; S315-Q318 WeakPolarHBondContact O-CB 3.36Å; S315-Q318 PolarHBondContact O-N 2.85Å; L316-Q318 VanDerWaalsContact C-N 3.28Å; L316-Q318 PolarHBondContact O-N 3.11Å; Q318-K321 PolarHBondContact O-N 3.08Å; Q318-S322 WeakPolarHBondContact O-CB 3.48Å; Q318-S322 PolarHBondContact O-N 3.33Å; Q318-S322 PolarHBondContact O-OG 3.45Å |
| 319 | Q | 77.8 | Confident | 77.1 | Confident | 91 Ų | 91 | 72.3 Ų | 72.3 | 43% | 0.425 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.9 | -42.2 | 174.1 | -163.6 | 176.9 | -1.6 | 0 | 0 | 110.9 | S315 L316 S322 S323 | S315-Q319 WeakPolarHBondContact O-CB 3.27Å; S315-Q319 PolarHBondContact O-N 3.47Å; L316-Q319 WeakPolarHBondContact O-CB 3.46Å; L316-Q319 PolarHBondContact O-N 2.89Å; Q319-S322 PolarHBondContact O-N 2.92Å; Q319-S323 PolarHBondContact O-N 3.05Å; Q319-S323 PolarHBondContact O-OG 3.38Å |
| 320 | V | 82.2 | Confident | 76.8 | Confident | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.006 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 172.3 | 168.6 | 0 | 0 | 0 | 0 | 110.5 | L316 L317 S322 S323 R324 L327 M330 Q338 K342 | L316-V320 WeakPolarHBondContact O-CB 3.36Å; L316-V320 VanDerWaalsContact O-CG2 3.29Å; L316-V320 WeakPolarHBondContact O-CG2 3.45Å; L316-V320 PolarHBondContact O-N 2.91Å; L317-V320 PolarHBondContact O-N 3.08Å; V320-S322 VanDerWaalsContact C-N 3.3Å; V320-S322 PolarHBondContact O-N 2.88Å; V320-S323 WeakPolarHBondContact CA-OG 3.23Å; V320-S323 PolarHBondContact O-N 3.37Å; V320-S323 PolarHBondContact O-OG 3.28Å; V320-R324 PolarHBondContact O-N 3.42Å; V320-L327 HydrophobicContact CG1-CD2 3.9Å; V320-M330 HydrophobicContact CG1-SD 4.27Å; V320-Q338 HydrophobicContact CG1-CB 4.42Å; V320-Q338 HydrophobicContact CG2-CB 4.11Å; V320-K342 HydrophobicContact CG2-CG 4.09Å |
| 321 | K | 80.5 | Confident | 77 | Confident | 113 Ų | 113 | 66.5 Ų | 66.5 | 49% | 0.491 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.9 | -41.1 | 173.8 | -175 | 179.2 | 176.7 | 179.7 | 0 | 112 | L317 Q318 G325 L327 | L317-K321 VanDerWaalsContact O-CB 3.3Å; L317-K321 WeakPolarHBondContact O-CB 3.4Å; L317-K321 PolarHBondContact O-N 2.99Å; Q318-K321 PolarHBondContact O-N 3.08Å; K321-G325 CarbonylContact O-C 3.2Å; K321-G325 WeakPolarHBondContact O-CA 3.42Å; K321-G325 PolarHBondContact O-N 3.05Å; K321-L327 HydrophobicContact CB-CD1 4.14Å; K321-L327 HydrophobicContact CB-CD2 3.93Å; K321-L327 HydrophobicContact CB-CG 3.85Å; K321-L327 HydrophobicContact CD-CD1 4.38Å; K321-L327 HydrophobicContact CD-CG 4.4Å; K321-L327 HydrophobicContact CG-CG 4.09Å |
| 322 | S | 73.5 | Confident | 77.1 | Confident | 98 Ų | 98 | 63.2 Ų | 63.2 | 69% | 0.685 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -69.9 | -33.4 | 179.1 | -57 | 0 | 0 | 0 | 0 | 112.4 | Q318 Q319 V320 | Q318-S322 WeakPolarHBondContact O-CB 3.48Å; Q318-S322 PolarHBondContact O-N 3.33Å; Q318-S322 PolarHBondContact O-OG 3.45Å; Q319-S322 PolarHBondContact O-N 2.92Å; V320-S322 VanDerWaalsContact C-N 3.3Å; V320-S322 PolarHBondContact O-N 2.88Å |
| 323 | S | 73.4 | Confident | 77.3 | Confident | 80 Ų | 80 | 63.9 Ų | 63.9 | 56% | 0.559 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -76.5 | -31.5 | 177 | 43 | 0 | 0 | 0 | 0 | 114.3 | Q319 V320 | Q319-S323 PolarHBondContact O-N 3.05Å; Q319-S323 PolarHBondContact O-OG 3.38Å; V320-S323 WeakPolarHBondContact CA-OG 3.23Å; V320-S323 PolarHBondContact O-N 3.37Å; V320-S323 PolarHBondContact O-OG 3.28Å |
| 324 | R | 67.1 | Low | 77.2 | Confident | 120 Ų | 120 | 67.1 Ų | 67.1 | 45% | 0.453 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -107.3 | -13.5 | -175.2 | -172.7 | 176.6 | 170 | 162.5 | -1.3 | 113.7 | V320 T326 M330 | V320-R324 PolarHBondContact O-N 3.42Å; R324-T326 PolarHBondContact O-N 2.8Å; R324-M330 PolarHBondContact NH1-SD 3.48Å |
| 325 | G | 75.9 | Confident | 77.3 | Confident | 56 Ų | 56 | 64 Ų | 64 | 58% | 0.577 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 88.3 | -58.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K321 | K321-G325 CarbonylContact O-C 3.2Å; K321-G325 WeakPolarHBondContact O-CA 3.42Å; K321-G325 PolarHBondContact O-N 3.05Å |
| 326 | T | 74.1 | Confident | 77.5 | Confident | 77 Ų | 77 | 61.7 Ų | 61.7 | 47% | 0.472 | 37% | 0.368 | S | S | . | . | trans | -125.8 | 145.7 | 179.9 | -169 | 0 | 0 | 0 | 0 | 112.5 | R324 A328 | R324-T326 PolarHBondContact O-N 2.8Å; T326-A328 WeakPolarHBondContact OG1-CB 3.35Å; T326-A328 PolarHBondContact OG1-N 3.05Å | ||
| 327 | L | 66.9 | Low | 77.5 | Confident | 53 Ų | 53 | 68.2 Ų | 68.2 | 28% | 0.277 | 40% | 0.398 | S | S | . | . | trans | -90.2 | -9.4 | 171 | -61.1 | 178.4 | 0 | 0 | 0 | 112 | L317 V320 K321 G329 M330 L335 | L317-L327 HydrophobicContact CD2-CD1 4.34Å; V320-L327 HydrophobicContact CG1-CD2 3.9Å; K321-L327 HydrophobicContact CB-CD1 4.14Å; K321-L327 HydrophobicContact CB-CD2 3.93Å; K321-L327 HydrophobicContact CB-CG 3.85Å; K321-L327 HydrophobicContact CD-CD1 4.38Å; K321-L327 HydrophobicContact CD-CG 4.4Å; K321-L327 HydrophobicContact CG-CG 4.09Å; L327-G329 PolarHBondContact O-N 3.3Å; L327-M330 HydrophobicContact CD2-SD 4.29Å; L327-M330 PolarHBondContact O-N 3.05Å; L327-L335 HydrophobicContact CD2-CD2 4.29Å | ||
| 328 | A | 72.4 | Confident | 77.4 | Confident | 75 Ų | 75 | 70.8 Ų | 70.8 | 62% | 0.62 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 128.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | T326 | T326-A328 WeakPolarHBondContact OG1-CB 3.35Å; T326-A328 PolarHBondContact OG1-N 3.05Å |
| 329 | G | 70.6 | Confident | 77.5 | Confident | 78 Ų | 78 | 64.7 Ų | 64.7 | 80% | 0.804 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | 8.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L327 | L327-G329 PolarHBondContact O-N 3.3Š|
| 330 | M | 72.6 | Confident | 77.7 | Confident | 21 Ų | 21 | 61.5 Ų | 61.5 | 10% | 0.103 | 37% | 0.373 | C | S | . | . | trans | -89.6 | 134.4 | 166.3 | -67.2 | -164 | 63.2 | 0 | 0 | 110.9 | V320 R324 L327 D334 L335 Q338 | V320-M330 HydrophobicContact CG1-SD 4.27Å; R324-M330 PolarHBondContact NH1-SD 3.48Å; L327-M330 HydrophobicContact CD2-SD 4.29Å; L327-M330 PolarHBondContact O-N 3.05Å; M330-D334 HydrophobicContact CE-CB 3.84Å; M330-L335 HydrophobicContact CB-CD1 4.22Å; M330-L335 HydrophobicContact CB-CG 4.07Å; M330-L335 HydrophobicContact CE-CD2 4.23Å; M330-L335 HydrophobicContact CE-CG 4.06Å; M330-L335 HydrophobicContact SD-CD2 4.32Å; M330-L335 HydrophobicContact SD-CG 4.43Å; M330-Q338 HydrophobicContact CE-CB 4.49Å; M330-Q338 HydrophobicContact CE-CG 4.1Å | ||
| 331 | S | 81.9 | Confident | 77.5 | Confident | 46 Ų | 46 | 67.5 Ų | 67.5 | 32% | 0.322 | 40% | 0.399 | S | S | . | . | trans | -71.3 | 162.5 | 167.4 | 70.3 | 0 | 0 | 0 | 0 | 110.4 | E333 D334 L335 | S331-E333 PolarHBondContact O-N 3.38Å; S331-D334 WeakPolarHBondContact CB-OD2 3.48Å; S331-D334 PolarHBondContact N-OD2 3.46Å; S331-D334 PolarHBondContact O-N 2.9Å; S331-D334 PolarHBondContact OG-N 3.23Å; S331-D334 PolarHBondContact OG-OD2 2.96Å; S331-L335 PolarHBondContact O-N 2.9Å; S331-L335 VanDerWaalsContact O-N 3.11Å | ||
| 332 | V | 79.3 | Confident | 77.4 | Confident | 35 Ų | 35 | 64.1 Ų | 64.1 | 21% | 0.212 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.2 | -32 | 176.8 | 177.9 | 0 | 0 | 0 | 0 | 110 | V297 K300 L335 I336 | V297-V332 HydrophobicContact CG2-CG2 4.45Å; K300-V332 HydrophobicContact CB-CG1 4.37Å; K300-V332 HydrophobicContact CD-CG1 3.93Å; V332-L335 WeakPolarHBondContact O-CB 3.37Å; V332-L335 PolarHBondContact O-N 2.87Å; V332-I336 HydrophobicContact CG1-CD1 4.03Å; V332-I336 WeakPolarHBondContact O-CD1 3.43Å; V332-I336 WeakPolarHBondContact O-CG1 3.21Å; V332-I336 PolarHBondContact O-N 3.21Å |
| 333 | E | 80.9 | Confident | 77.4 | Confident | 105 Ų | 105 | 60.2 Ų | 60.2 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.6 | -46.2 | 176.8 | -66.5 | 64 | -142.8 | 0 | 0 | 111.3 | S331 L335 I336 E337 | S331-E333 PolarHBondContact O-N 3.38Å; E333-L335 VanDerWaalsContact C-N 3.28Å; E333-L335 PolarHBondContact O-N 3.49Å; E333-I336 WeakPolarHBondContact O-CB 3.33Å; E333-I336 PolarHBondContact O-N 3.39Å; E333-E337 PolarHBondContact O-N 2.89Å |
| 334 | D | 83.3 | Confident | 77.1 | Confident | 68 Ų | 68 | 59 Ų | 59 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.2 | -35.7 | 174.4 | -61.4 | -44 | 0 | 0 | 0 | 112.1 | M330 S331 E337 Q338 | M330-D334 HydrophobicContact CE-CB 3.84Å; S331-D334 WeakPolarHBondContact CB-OD2 3.48Å; S331-D334 PolarHBondContact N-OD2 3.46Å; S331-D334 PolarHBondContact O-N 2.9Å; S331-D334 PolarHBondContact OG-N 3.23Å; S331-D334 PolarHBondContact OG-OD2 2.96Å; D334-E337 PolarHBondContact O-N 2.98Å; D334-Q338 WeakPolarHBondContact O-CB 3.42Å; D334-Q338 WeakPolarHBondContact O-CG 3.35Å; D334-Q338 PolarHBondContact O-N 3.18Å |
| 335 | L | 83.8 | Confident | 76.7 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 7% | 0.068 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 175.5 | -88.5 | 162.4 | 0 | 0 | 0 | 111.4 | V297 L317 L327 M330 S331 V332 E333 Q338 V339 | V297-L335 HydrophobicContact CG1-CD1 4.47Å; L317-L335 HydrophobicContact CD2-CD2 3.47Å; L317-L335 VanDerWaalsContact CD2-CD2 3.47Å; L327-L335 HydrophobicContact CD2-CD2 4.29Å; M330-L335 HydrophobicContact CB-CD1 4.22Å; M330-L335 HydrophobicContact CB-CG 4.07Å; M330-L335 HydrophobicContact CE-CD2 4.23Å; M330-L335 HydrophobicContact CE-CG 4.06Å; M330-L335 HydrophobicContact SD-CD2 4.32Å; M330-L335 HydrophobicContact SD-CG 4.43Å; S331-L335 PolarHBondContact O-N 2.9Å; S331-L335 VanDerWaalsContact O-N 3.11Å; V332-L335 WeakPolarHBondContact O-CB 3.37Å; V332-L335 PolarHBondContact O-N 2.87Å; E333-L335 VanDerWaalsContact C-N 3.28Å; E333-L335 PolarHBondContact O-N 3.49Å; L335-Q338 PolarHBondContact O-N 3.38Å; L335-V339 VanDerWaalsContact O-CB 3.31Å; L335-V339 WeakPolarHBondContact O-CB 3.44Å; L335-V339 WeakPolarHBondContact O-CG2 3.32Å; L335-V339 PolarHBondContact O-N 2.84Å |
| 336 | I | 83.4 | Confident | 75.6 | Confident | 23 Ų | 23 | 57 Ų | 57 | 12% | 0.118 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 175.1 | -71.5 | 159.7 | 0 | 0 | 0 | 109.9 | L301 R304 F305 V332 E333 V339 G340 | L301-I336 HydrophobicContact CD2-CB 4.32Å; L301-I336 HydrophobicContact CD2-CG1 3.65Å; R304-I336 HydrophobicContact CB-CG2 4.4Å; R304-I336 HydrophobicContact CG-CD1 4.03Å; R304-I336 HydrophobicContact CG-CG1 4.36Å; R304-I336 HydrophobicContact CG-CG2 4.31Å; F305-I336 HydrophobicContact CE2-CB 4.45Å; F305-I336 HydrophobicContact CE2-CG2 3.85Å; F305-I336 HydrophobicContact CZ-CG2 3.91Å; F305-I336 VanDerWaalsContact CZ-O 3.3Å; F305-I336 WeakPolarHBondContact CZ-O 3.35Å; V332-I336 HydrophobicContact CG1-CD1 4.03Å; V332-I336 WeakPolarHBondContact O-CD1 3.43Å; V332-I336 WeakPolarHBondContact O-CG1 3.21Å; V332-I336 PolarHBondContact O-N 3.21Å; E333-I336 WeakPolarHBondContact O-CB 3.33Å; E333-I336 PolarHBondContact O-N 3.39Å; I336-V339 PolarHBondContact O-N 3.01Å; I336-G340 PolarHBondContact O-N 2.84Å |
| 337 | E | 84.8 | Confident | 74.4 | Confident | 144 Ų | 144 | 61.1 Ų | 61.1 | 67% | 0.673 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.2 | -44.4 | 178.7 | -72.5 | -172.7 | 175.7 | 0 | 0 | 112.6 | E333 D334 G340 F341 | E333-E337 PolarHBondContact O-N 2.89Å; D334-E337 PolarHBondContact O-N 2.98Å; E337-G340 PolarHBondContact O-N 3.29Å; E337-F341 WeakPolarHBondContact O-CB 3.47Å; E337-F341 PolarHBondContact O-N 3.01Å |
| 338 | Q | 81.1 | Confident | 73.4 | Confident | 62 Ų | 62 | 68.8 Ų | 68.8 | 29% | 0.29 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.2 | -36.3 | 179.1 | -73.9 | -169.7 | 6.8 | 0 | 0 | 112.8 | V320 M330 D334 L335 F341 K342 | V320-Q338 HydrophobicContact CG1-CB 4.42Å; V320-Q338 HydrophobicContact CG2-CB 4.11Å; M330-Q338 HydrophobicContact CE-CB 4.49Å; M330-Q338 HydrophobicContact CE-CG 4.1Å; D334-Q338 WeakPolarHBondContact O-CB 3.42Å; D334-Q338 WeakPolarHBondContact O-CG 3.35Å; D334-Q338 PolarHBondContact O-N 3.18Å; L335-Q338 PolarHBondContact O-N 3.38Å; Q338-F341 PolarHBondContact O-N 3.2Å; Q338-K342 WeakPolarHBondContact O-CB 3.47Å; Q338-K342 WeakPolarHBondContact O-CG 3.4Å; Q338-K342 PolarHBondContact O-N 3.28Å |
| 339 | V | 83 | Confident | 71.8 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 172.5 | 170.3 | 0 | 0 | 0 | 0 | 110.3 | L301 F305 L313 L316 L335 I336 F341 K342 L343 | L301-V339 HydrophobicContact CD2-CB 4.2Å; L301-V339 HydrophobicContact CD2-CG1 4.42Å; L301-V339 HydrophobicContact CD2-CG2 4.14Å; F305-V339 HydrophobicContact CD2-CG1 4.11Å; F305-V339 HydrophobicContact CE2-CB 4.29Å; F305-V339 HydrophobicContact CE2-CG1 3.99Å; L313-V339 HydrophobicContact CD2-CG1 4.08Å; L316-V339 HydrophobicContact CB-CG1 4.39Å; L316-V339 HydrophobicContact CB-CG2 4.47Å; L316-V339 HydrophobicContact CD1-CG1 4.14Å; L335-V339 VanDerWaalsContact O-CB 3.31Å; L335-V339 WeakPolarHBondContact O-CB 3.44Å; L335-V339 WeakPolarHBondContact O-CG2 3.32Å; L335-V339 PolarHBondContact O-N 2.84Å; I336-V339 PolarHBondContact O-N 3.01Å; V339-F341 PolarHBondContact O-N 2.85Å; V339-K342 PolarHBondContact O-N 3.45Å; V339-L343 HydrophobicContact CG1-CD1 3.91Å; V339-L343 HydrophobicContact CG1-CG 4.34Å; V339-L343 WeakPolarHBondContact O-CB 3.41Å; V339-L343 VanDerWaalsContact O-CG 3.28Å; V339-L343 WeakPolarHBondContact O-CG 2.97Å; V339-L343 PolarHBondContact O-N 3.22Å |
| 340 | G | 80.9 | Confident | 70 | Confident | 23 Ų | 23 | 69.6 Ų | 69.6 | 24% | 0.237 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I336 E337 L343 S344 | I336-G340 PolarHBondContact O-N 2.84Å; E337-G340 PolarHBondContact O-N 3.29Å; G340-L343 PolarHBondContact O-N 3.31Å; G340-S344 PolarHBondContact O-N 3.44Å; G340-S344 PolarHBondContact O-OG 3.14Å |
| 341 | F | 78.6 | Confident | 68.7 | Low | 128 Ų | 128 | 75.3 Ų | 75.3 | 56% | 0.561 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -69 | -32.4 | 175.1 | -176.7 | -112.8 | 0 | 0 | 0 | 113.1 | E337 Q338 V339 S344 Q345 | E337-F341 WeakPolarHBondContact O-CB 3.47Å; E337-F341 PolarHBondContact O-N 3.01Å; Q338-F341 PolarHBondContact O-N 3.2Å; V339-F341 PolarHBondContact O-N 2.85Å; F341-S344 PolarHBondContact O-OG 3.28Å; F341-Q345 WeakPolarHBondContact O-CG 3.3Å; F341-Q345 PolarHBondContact O-N 2.97Å; F341-Q345 PolarHBondContact O-NE2 2.95Å |
| 342 | K | 77.6 | Confident | 67.3 | Low | 41 Ų | 41 | 75.3 Ų | 75.3 | 18% | 0.178 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -78.1 | -32.8 | 174.8 | -73.9 | -68.5 | 176.9 | -164.1 | 0 | 112.4 | L316 V320 Q338 V339 Q345 S346 | L316-K342 HydrophobicContact CD2-CB 3.84Å; V320-K342 HydrophobicContact CG2-CG 4.09Å; Q338-K342 WeakPolarHBondContact O-CB 3.47Å; Q338-K342 WeakPolarHBondContact O-CG 3.4Å; Q338-K342 PolarHBondContact O-N 3.28Å; V339-K342 PolarHBondContact O-N 3.45Å; K342-Q345 PolarHBondContact O-N 3.02Å; K342-S346 VanDerWaalsContact O-CB 3.27Å; K342-S346 WeakPolarHBondContact O-CB 3.46Å; K342-S346 PolarHBondContact O-N 3.35Å |
| 343 | L | 74.1 | Confident | 65.8 | Low | 17 Ų | 17 | 79.4 Ų | 79.4 | 9% | 0.089 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 172.4 | -77.3 | 170 | 0 | 0 | 0 | 111.4 | F305 C308 L316 V339 G340 Q345 S346 E347 | F305-L343 HydrophobicContact CB-CD1 4.27Å; F305-L343 HydrophobicContact CD1-CD1 3.68Å; F305-L343 HydrophobicContact CD2-CD1 4.49Å; F305-L343 HydrophobicContact CE1-CD1 4.12Å; F305-L343 HydrophobicContact CG-CD1 3.9Å; C308-L343 WeakPolarHBondContact SG-CD2 3.43Å; L316-L343 HydrophobicContact CD1-CD1 4.34Å; L316-L343 HydrophobicContact CD1-CD2 3.39Å; L316-L343 HydrophobicContact CD1-CG 3.75Å; L316-L343 HydrophobicContact CD2-CD2 4.33Å; L316-L343 HydrophobicContact CD2-CG 4.48Å; L316-L343 HydrophobicContact CG-CD2 4.5Å; V339-L343 HydrophobicContact CG1-CD1 3.91Å; V339-L343 HydrophobicContact CG1-CG 4.34Å; V339-L343 WeakPolarHBondContact O-CB 3.41Å; V339-L343 VanDerWaalsContact O-CG 3.28Å; V339-L343 WeakPolarHBondContact O-CG 2.97Å; V339-L343 PolarHBondContact O-N 3.22Å; G340-L343 PolarHBondContact O-N 3.31Å; L343-Q345 VanDerWaalsContact C-N 3.27Å; L343-Q345 PolarHBondContact O-N 2.97Å; L343-S346 PolarHBondContact O-N 3.45Å; L343-S346 VanDerWaalsContact O-N 3.11Å; L343-E347 PolarHBondContact O-N 3.5Å |
| 344 | S | 66.6 | Low | 64.9 | Low | 53 Ų | 53 | 80.2 Ų | 80.2 | 37% | 0.371 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.8 | -27.3 | 176.7 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | G340 F341 R348 | G340-S344 PolarHBondContact O-N 3.44Å; G340-S344 PolarHBondContact O-OG 3.14Å; F341-S344 PolarHBondContact O-OG 3.28Å; S344-R348 WeakPolarHBondContact O-CG 3.48Å |
| 345 | Q | 59.8 | Low | 64.5 | Low | 73 Ų | 73 | 82.3 Ų | 82.3 | 34% | 0.341 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -77.9 | -35.6 | 170 | -80.3 | 174.2 | 91 | 0 | 0 | 113.4 | F341 K342 L343 R348 S349 | F341-Q345 WeakPolarHBondContact O-CG 3.3Å; F341-Q345 PolarHBondContact O-N 2.97Å; F341-Q345 PolarHBondContact O-NE2 2.95Å; K342-Q345 PolarHBondContact O-N 3.02Å; L343-Q345 VanDerWaalsContact C-N 3.27Å; L343-Q345 PolarHBondContact O-N 2.97Å; Q345-R348 PolarHBondContact O-N 3.27Å; Q345-S349 WeakPolarHBondContact O-CB 3.33Å; Q345-S349 PolarHBondContact O-N 2.99Å; Q345-S349 PolarHBondContact O-OG 3.19Å |
| 346 | S | 52.9 | Low | 64.4 | Low | 62 Ų | 62 | 85.8 Ų | 85.8 | 43% | 0.434 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.3 | -35.1 | 179.8 | -170.5 | 0 | 0 | 0 | 0 | 111.8 | K342 L343 R348 S349 | K342-S346 VanDerWaalsContact O-CB 3.27Å; K342-S346 WeakPolarHBondContact O-CB 3.46Å; K342-S346 PolarHBondContact O-N 3.35Å; L343-S346 PolarHBondContact O-N 3.45Å; L343-S346 VanDerWaalsContact O-N 3.11Å; S346-R348 PolarHBondContact O-N 3.11Å; S346-S349 PolarHBondContact O-N 3.33Å; S346-S349 VanDerWaalsContact O-N 3.17Å |
| 347 | E | 47.2 | Very low | 64.6 | Low | 163 Ų | 163 | 84.8 Ų | 84.8 | 76% | 0.762 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21.4 | 172.7 | -73.2 | -174.7 | 131.3 | 0 | 0 | 112.5 | L343 | L343-E347 PolarHBondContact O-N 3.5Š|
| 348 | R | 46.5 | Very low | 64.6 | Low | 214 Ų | 214 | 81.8 Ų | 81.8 | 81% | 0.808 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -1.3 | 173.2 | -68.6 | -177.9 | -172.8 | -166.8 | 1.4 | 114.3 | S344 Q345 S346 | S344-R348 WeakPolarHBondContact O-CG 3.48Å; Q345-R348 PolarHBondContact O-N 3.27Å; S346-R348 PolarHBondContact O-N 3.11Å |
| 349 | S | 38.2 | Very low | 64.7 | Low | 82 Ų | 82 | 83.5 Ų | 83.5 | 57% | 0.573 | 46% | 0.464 | S | S | * | . | trans | -121.1 | 75.3 | -173.4 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | Q345 S346 | Q345-S349 WeakPolarHBondContact O-CB 3.33Å; Q345-S349 PolarHBondContact O-N 2.99Å; Q345-S349 PolarHBondContact O-OG 3.19Å; S346-S349 PolarHBondContact O-N 3.33Å; S346-S349 VanDerWaalsContact O-N 3.17Å | ||
| 350 | A | 33.5 | Very low | 64.9 | Low | 88 Ų | 88 | 85.6 Ų | 85.6 | 73% | 0.727 | 48% | 0.478 | S | S | * | . | trans | -75.8 | 138.9 | 148.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | G352 | A350-G352 VanDerWaalsContact C-N 3.26Å; A350-G352 PolarHBondContact O-N 3.48Å | ||
| 351 | P | 45.9 | Very low | 65 | Low | 142 Ų | 142 | 92 Ų | 92 | 92% | 0.922 | 50% | 0.502 | S | S | * | . | trans | -75.3 | 80 | -176.8 | 30.8 | -32.3 | 0 | 0 | 0 | 110.1 | ||||
| 352 | G | 50.9 | Low | 65.1 | Low | 45 Ų | 45 | 90.7 Ų | 90.7 | 46% | 0.464 | 50% | 0.501 | S | S | . | . | trans | -102.9 | 151.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | A350 I354 | A350-G352 VanDerWaalsContact C-N 3.26Å; A350-G352 PolarHBondContact O-N 3.48Å; G352-I354 PolarHBondContact O-N 3.18Å; G352-I354 VanDerWaalsContact O-N 3.07Å | ||
| 353 | P | 49.7 | Very low | 65.1 | Low | 122 Ų | 122 | 94.4 Ų | 94.4 | 79% | 0.792 | 52% | 0.518 | S | S | * | . | trans | -59.9 | 115.7 | 178.5 | 22.8 | -30.6 | 0 | 0 | 0 | 110.2 | K355 | P353-K355 PolarHBondContact O-N 3.34Š| ||
| 354 | I | 62 | Low | 65.2 | Low | 122 Ų | 122 | 94.4 Ų | 94.4 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 116.3 | 177.5 | -63.5 | 172.4 | 0 | 0 | 0 | 108.6 | G352 L356 H363 | G352-I354 PolarHBondContact O-N 3.18Å; G352-I354 VanDerWaalsContact O-N 3.07Å; I354-L356 HydrophobicContact CG2-CD2 4.44Å; I354-H363 WeakPolarHBondContact CG2-CD2 3.44Å |
| 355 | K | 73.8 | Confident | 65.8 | Low | 112 Ų | 112 | 96.2 Ų | 96.2 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -94 | 125.7 | 175.7 | -63.3 | -173.5 | -176.5 | 178.2 | 0 | 109.9 | P353 V364 T377 | P353-K355 PolarHBondContact O-N 3.34Å; K355-V364 PolarHBondContact O-N 3.47Å; K355-T377 HydrophobicContact CB-CG2 3.87Å; K355-T377 WeakPolarHBondContact CD-OG1 3.41Å |
| 356 | L | 82.8 | Confident | 66.4 | Low | 86 Ų | 86 | 98.4 Ų | 98.4 | 45% | 0.45 | 55% | 0.545 | S | S | . | . | B | Isolated β-bridge | trans | -88.4 | 149.5 | 176.2 | -60.9 | 177.4 | 0 | 0 | 0 | 111.2 | I354 | I354-L356 HydrophobicContact CG2-CD2 4.44Å |
| 357 | C | 85.8 | Confident | 67.4 | Low | 1 Ų | 1 | 103.8 Ų | 103.8 | 1% | 0.007 | 56% | 0.563 | C | S | . | * | P | Polyproline II helix | trans | -69.2 | 125.3 | 172.7 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | M359 C360 Q361 N362 V364 T377 H379 | C357-M359 PolarHBondContact O-N 3.31Å; C357-C360 VanDerWaalsContact CB-SG 3.5Å; C357-Q361 WeakPolarHBondContact O-CA 3.29Å; C357-Q361 PolarHBondContact O-N 2.88Å; C357-N362 WeakPolarHBondContact CB-O 3.31Å; C357-N362 PolarHBondContact N-O 3.02Å; C357-V364 HydrophobicContact CB-CG2 3.44Å; C357-V364 VanDerWaalsContact CB-CG2 3.44Å; C357-T377 WeakPolarHBondContact CA-O 3.32Å; C357-H379 WeakPolarHBondContact CB-ND1 3.26Å; C357-H379 PolarHBondContact SG-ND1 2.64Å |
| 358 | L | 84.6 | Confident | 69 | Low | 81 Ų | 81 | 100 Ų | 100 | 42% | 0.424 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -14.9 | 178.6 | -66.3 | 179.7 | 0 | 0 | 0 | 114.3 | H376 T377 I378 F397 | L358-H376 HydrophobicContact CD1-CB 3.87Å; L358-H376 VanDerWaalsContact CD1-CD2 3.45Å; L358-H376 WeakPolarHBondContact CD1-CD2 3.4Å; L358-T377 PolarHBondContact N-O 3.41Å; L358-T377 VanDerWaalsContact N-O 3.13Å; L358-I378 HydrophobicContact CB-CG1 4.46Å; L358-F397 HydrophobicContact CB-CD2 3.99Å; L358-F397 HydrophobicContact CB-CE2 3.78Å; L358-F397 HydrophobicContact CB-CZ 4.32Å; L358-F397 HydrophobicContact CD1-CB 4.47Å; L358-F397 HydrophobicContact CD1-CD2 4.04Å; L358-F397 HydrophobicContact CD1-CG 4.37Å |
| 359 | M | 84.7 | Confident | 70.7 | Confident | 98 Ų | 98 | 93.8 Ų | 93.8 | 48% | 0.483 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -39 | -175.9 | -162.5 | 152.7 | 164.3 | 0 | 0 | 112.9 | C357 I378 C382 | C357-M359 PolarHBondContact O-N 3.31Å; M359-I378 HydrophobicContact CB-CG2 4.22Å; M359-C382 HydrophobicContact CB-CB 3.99Å; M359-C382 WeakPolarHBondContact CE-O 3.48Å; M359-C382 HydrophobicContact CG-CB 4.22Å; M359-C382 HydrophobicContact SD-CB 4.08Å |
| 360 | C | 86.6 | Confident | 72.8 | Confident | 45 Ų | 45 | 90.6 Ų | 90.6 | 30% | 0.304 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -2.1 | -178.4 | 70.7 | 0 | 0 | 0 | 0 | 114 | C357 N362 H379 | C357-C360 VanDerWaalsContact CB-SG 3.5Å; C360-N362 PolarHBondContact O-N 3.19Å; C360-N362 PolarHBondContact O-ND2 3.27Å; C360-H379 VanDerWaalsContact SG-CE1 3.57Å; C360-H379 PolarHBondContact SG-ND1 2.87Å; C360-H379 VanDerWaalsContact SG-ND1 3.38Å |
| 361 | Q | 83.2 | Confident | 75.1 | Confident | 158 Ų | 158 | 89.9 Ų | 89.9 | 74% | 0.738 | 49% | 0.489 | S | S | * | . | trans | 60.6 | 11.1 | -179.7 | -57.4 | 176.6 | 46.1 | 0 | 0 | 115.1 | C357 | C357-Q361 WeakPolarHBondContact O-CA 3.29Å; C357-Q361 PolarHBondContact O-N 2.88Å | ||
| 362 | N | 79.9 | Confident | 76.7 | Confident | 100 Ų | 100 | 84.1 Ų | 84.1 | 54% | 0.535 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -91.5 | 163.3 | 176.6 | -64.6 | -45.1 | 0 | 0 | 0 | 112.3 | C357 C360 | C357-N362 WeakPolarHBondContact CB-O 3.31Å; C357-N362 PolarHBondContact N-O 3.02Å; C360-N362 PolarHBondContact O-N 3.19Å; C360-N362 PolarHBondContact O-ND2 3.27Å |
| 363 | H | 78.1 | Confident | 77.9 | Confident | 118 Ų | 118 | 86.8 Ų | 86.8 | 55% | 0.546 | 46% | 0.462 | S | S | . | . | B | Isolated β-bridge | trans | -64 | 137.3 | 179.4 | -65 | 58.8 | 0 | 0 | 0 | 110.7 | I354 H379 | I354-H363 WeakPolarHBondContact CG2-CD2 3.44Å; H363-H379 PolarHBondContact O-CE1 3.37Å; H363-H379 PolarHBondContact O-NE2 2.86Å |
| 364 | V | 77.3 | Confident | 79.5 | Confident | 18 Ų | 18 | 82.4 Ų | 82.4 | 11% | 0.109 | 43% | 0.434 | C | S | . | . | trans | -110.5 | 110.6 | 177.8 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | K355 C357 R369 T377 | K355-V364 PolarHBondContact O-N 3.47Å; C357-V364 HydrophobicContact CB-CG2 3.44Å; C357-V364 VanDerWaalsContact CB-CG2 3.44Å; V364-R369 HydrophobicContact CG1-CB 3.8Å; V364-R369 HydrophobicContact CG1-CG 4.37Å; V364-T377 HydrophobicContact CB-CG2 3.7Å; V364-T377 HydrophobicContact CG1-CG2 3.92Å; V364-T377 HydrophobicContact CG2-CG2 3.83Å | ||
| 365 | D | 77.5 | Confident | 80.4 | Confident | 91 Ų | 91 | 81.2 Ų | 81.2 | 49% | 0.487 | 44% | 0.436 | S | S | . | . | trans | -62.7 | 142.7 | 169.5 | -69 | -46.5 | 0 | 0 | 0 | 110.1 | E367 N368 R369 | D365-E367 PolarHBondContact O-N 3.27Å; D365-E367 VanDerWaalsContact O-N 3.08Å; D365-N368 PolarHBondContact O-N 2.92Å; D365-R369 PolarHBondContact O-N 3.45Å | ||
| 366 | P | 73.6 | Confident | 81 | Confident | 118 Ų | 118 | 78.6 Ų | 78.6 | 77% | 0.766 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -54.1 | -31.9 | -178.6 | -25.8 | 33.4 | 0 | 0 | 0 | 114 | ||
| 367 | E | 74.6 | Confident | 81.2 | Confident | 176 Ų | 176 | 74.9 Ų | 74.9 | 82% | 0.822 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -73.8 | -30.3 | 178.3 | -61.6 | -171.6 | 159.6 | 0 | 0 | 113 | D365 | D365-E367 PolarHBondContact O-N 3.27Å; D365-E367 VanDerWaalsContact O-N 3.08Å |
| 368 | N | 79.1 | Confident | 81.2 | Confident | 84 Ų | 84 | 74.9 Ų | 74.9 | 45% | 0.449 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -94.7 | 5.8 | -178.4 | -73.6 | -25.1 | 0 | 0 | 0 | 113.3 | D365 H379 R380 | D365-N368 PolarHBondContact O-N 2.92Å; N368-H379 WeakPolarHBondContact O-CA 3.43Å; N368-R380 PolarHBondContact O-N 3.21Å |
| 369 | R | 83.1 | Confident | 81.5 | Confident | 82 Ų | 82 | 72.4 Ų | 72.4 | 31% | 0.309 | 39% | 0.393 | S | S | . | . | B | Isolated β-bridge | trans | -80.1 | 132.4 | 177.8 | -177.1 | 173 | 176.6 | -105.9 | -9.2 | 111.3 | V364 D365 H376 T377 | V364-R369 HydrophobicContact CG1-CB 3.8Å; V364-R369 HydrophobicContact CG1-CG 4.37Å; D365-R369 PolarHBondContact O-N 3.45Å; R369-H376 PolarHBondContact NH2-O 2.92Å; R369-H376 VanDerWaalsContact NH2-O 3.08Å; R369-T377 HydrophobicContact CG-CG2 4.16Å; R369-T377 PolarHBondContact NE-OG1 3.24Å |
| 370 | H | 82.4 | Confident | 81.5 | Confident | 15 Ų | 15 | 74 Ų | 74 | 7% | 0.069 | 39% | 0.394 | C | S | . | . | trans | -76.9 | 133.8 | 170.3 | -164.4 | 80.1 | 0 | 0 | 0 | 111.1 | L372 I378 R380 I383 L387 | H370-L372 PolarHBondContact O-N 3.35Å; H370-I378 PolarHBondContact N-O 2.92Å; H370-R380 HydrophobicContact CB-CG 4.02Å; H370-I383 HydrophobicContact CB-CG2 3.77Å; H370-L387 WeakPolarHBondContact CE1-CD1 3.48Å | ||
| 371 | P | 80.9 | Confident | 81.4 | Confident | 74 Ų | 74 | 77.6 Ų | 77.6 | 48% | 0.481 | 41% | 0.409 | S | S | . | . | trans | -73.7 | 111.9 | 177.2 | 29.3 | -32.7 | 0 | 0 | 0 | 110.5 | ||||
| 372 | L | 80.1 | Confident | 81.6 | Confident | 20 Ų | 20 | 71.6 Ų | 71.6 | 11% | 0.105 | 39% | 0.385 | C | S | . | . | trans | -110.9 | 152.7 | 173 | -67.2 | 169.1 | 0 | 0 | 0 | 109.9 | H370 C374 H376 I378 I383 N393 C395 | H370-L372 PolarHBondContact O-N 3.35Å; L372-C374 PolarHBondContact O-N 2.98Å; L372-H376 HydrophobicContact CD1-CB 4.47Å; L372-I378 HydrophobicContact CD1-CD1 4.03Å; L372-I378 HydrophobicContact CD1-CG1 4.37Å; L372-I383 HydrophobicContact CD1-CD1 4.26Å; L372-I383 HydrophobicContact CD2-CD1 3.82Å; L372-I383 HydrophobicContact CG-CD1 4.46Å; L372-N393 WeakPolarHBondContact CD2-O 3.41Å; L372-C395 HydrophobicContact CD1-CB 4.08Å; L372-C395 HydrophobicContact CD2-CB 4.23Å | ||
| 373 | S | 76.8 | Confident | 81.8 | Confident | 102 Ų | 102 | 66.8 Ų | 66.8 | 71% | 0.713 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -70.7 | -5.8 | 173.4 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | Q401 | S373-Q401 PolarHBondContact OG-NE2 2.96Š|
| 374 | C | 83.2 | Confident | 82.1 | Confident | 29 Ų | 29 | 66.1 Ų | 66.1 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -111.3 | 170.8 | 176.7 | 65 | 0 | 0 | 0 | 0 | 112.3 | L372 H376 C395 C398 | L372-C374 PolarHBondContact O-N 2.98Å; C374-H376 PolarHBondContact O-N 3.38Å; C374-C395 WeakPolarHBondContact SG-CB 3.46Å; C374-C395 VanDerWaalsContact SG-SG 3.6Å; C374-C398 VanDerWaalsContact SG-SG 3.69Å |
| 375 | S | 80.3 | Confident | 82.1 | Confident | 98 Ų | 98 | 71.6 Ų | 71.6 | 69% | 0.685 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -73.3 | -6.2 | 179.2 | 58.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 376 | H | 86.3 | Confident | 82.3 | Confident | 57 Ų | 57 | 72.6 Ų | 72.6 | 26% | 0.264 | 38% | 0.379 | S | S | . | . | trans | -65.5 | 153.9 | 180 | -63.4 | 131.5 | 0 | 0 | 0 | 113.2 | L358 R369 L372 C374 C395 C398 | L358-H376 HydrophobicContact CD1-CB 3.87Å; L358-H376 VanDerWaalsContact CD1-CD2 3.45Å; L358-H376 WeakPolarHBondContact CD1-CD2 3.4Å; R369-H376 PolarHBondContact NH2-O 2.92Å; R369-H376 VanDerWaalsContact NH2-O 3.08Å; L372-H376 HydrophobicContact CD1-CB 4.47Å; C374-H376 PolarHBondContact O-N 3.38Å; H376-C395 PolarHBondContact ND1-SG 3.41Å; H376-C395 VanDerWaalsContact ND1-SG 3.36Å; H376-C398 PolarHBondContact ND1-SG 3.27Å; H376-C398 VanDerWaalsContact ND1-SG 3.42Å | ||
| 377 | T | 87.4 | Confident | 82.5 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 5% | 0.049 | 35% | 0.354 | C | S | . | . | trans | -127.7 | 120.5 | -175.2 | -59.6 | 0 | 0 | 0 | 0 | 109.1 | K355 C357 L358 V364 R369 | K355-T377 HydrophobicContact CB-CG2 3.87Å; K355-T377 WeakPolarHBondContact CD-OG1 3.41Å; C357-T377 WeakPolarHBondContact CA-O 3.32Å; L358-T377 PolarHBondContact N-O 3.41Å; L358-T377 VanDerWaalsContact N-O 3.13Å; V364-T377 HydrophobicContact CB-CG2 3.7Å; V364-T377 HydrophobicContact CG1-CG2 3.92Å; V364-T377 HydrophobicContact CG2-CG2 3.83Å; R369-T377 HydrophobicContact CG-CG2 4.16Å; R369-T377 PolarHBondContact NE-OG1 3.24Å | ||
| 378 | I | 86.2 | Confident | 82.5 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | trans | -142.9 | 141.4 | -177.7 | -50.9 | 174.6 | 0 | 0 | 0 | 107 | L358 M359 H370 L372 C382 I383 P396 F397 | L358-I378 HydrophobicContact CB-CG1 4.46Å; M359-I378 HydrophobicContact CB-CG2 4.22Å; H370-I378 PolarHBondContact N-O 2.92Å; L372-I378 HydrophobicContact CD1-CD1 4.03Å; L372-I378 HydrophobicContact CD1-CG1 4.37Å; I378-C382 HydrophobicContact CG2-CB 3.91Å; I378-I383 HydrophobicContact CD1-CD1 4.12Å; I378-I383 HydrophobicContact CG2-CB 3.86Å; I378-P396 HydrophobicContact CD1-CG 4.05Å; I378-F397 HydrophobicContact CD1-CD2 3.85Å; I378-F397 HydrophobicContact CD1-CE2 3.81Å | ||
| 379 | H | 90.1 | Very high | 82.2 | Confident | 29 Ų | 29 | 68.3 Ų | 68.3 | 13% | 0.134 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -62.7 | 147.4 | 172.5 | -63 | 107.5 | 0 | 0 | 0 | 110.9 | C357 C360 H363 N368 D381 C382 I383 | C357-H379 WeakPolarHBondContact CB-ND1 3.26Å; C357-H379 PolarHBondContact SG-ND1 2.64Å; C360-H379 VanDerWaalsContact SG-CE1 3.57Å; C360-H379 PolarHBondContact SG-ND1 2.87Å; C360-H379 VanDerWaalsContact SG-ND1 3.38Å; H363-H379 PolarHBondContact O-CE1 3.37Å; H363-H379 PolarHBondContact O-NE2 2.86Å; N368-H379 WeakPolarHBondContact O-CA 3.43Å; H379-D381 PolarHBondContact O-N 3.14Å; H379-C382 HydrophobicContact CB-CB 4.06Å; H379-C382 PolarHBondContact O-N 3.35Å; H379-I383 PolarHBondContact O-N 3.23Å |
| 380 | R | 84.9 | Confident | 81.3 | Confident | 133 Ų | 133 | 65.5 Ų | 65.5 | 50% | 0.502 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -53.2 | -40.3 | 171.8 | -77.9 | -171.4 | 161.4 | -111.9 | 0.2 | 112.4 | N368 H370 I383 Q384 | N368-R380 PolarHBondContact O-N 3.21Å; H370-R380 HydrophobicContact CB-CG 4.02Å; R380-I383 WeakPolarHBondContact O-CG2 3.38Å; R380-Q384 PolarHBondContact O-N 2.98Å |
| 381 | D | 84.6 | Confident | 80.3 | Confident | 119 Ų | 119 | 74.9 Ų | 74.9 | 64% | 0.636 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -75.1 | -38.6 | -177.7 | -52.9 | -25.9 | 0 | 0 | 0 | 111.8 | H379 I383 Q384 | H379-D381 PolarHBondContact O-N 3.14Å; D381-I383 PolarHBondContact O-N 3.04Å; D381-Q384 WeakPolarHBondContact O-CB 3.43Å; D381-Q384 PolarHBondContact O-N 2.81Å |
| 382 | C | 86.4 | Confident | 79.5 | Confident | 32 Ų | 32 | 76.9 Ų | 76.9 | 22% | 0.216 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 179.6 | -68.2 | 0 | 0 | 0 | 0 | 111.9 | M359 I378 H379 Q384 | M359-C382 HydrophobicContact CB-CB 3.99Å; M359-C382 WeakPolarHBondContact CE-O 3.48Å; M359-C382 HydrophobicContact CG-CB 4.22Å; M359-C382 HydrophobicContact SD-CB 4.08Å; I378-C382 HydrophobicContact CG2-CB 3.91Å; H379-C382 HydrophobicContact CB-CB 4.06Å; H379-C382 PolarHBondContact O-N 3.35Å; C382-Q384 VanDerWaalsContact C-N 3.32Å; C382-Q384 PolarHBondContact O-N 3.14Å |
| 383 | I | 85.5 | Confident | 79 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -81.7 | -10 | -177.9 | -157.4 | 175.1 | 0 | 0 | 0 | 113.5 | H370 L372 I378 H379 R380 D381 M385 W386 L387 | H370-I383 HydrophobicContact CB-CG2 3.77Å; L372-I383 HydrophobicContact CD1-CD1 4.26Å; L372-I383 HydrophobicContact CD2-CD1 3.82Å; L372-I383 HydrophobicContact CG-CD1 4.46Å; I378-I383 HydrophobicContact CD1-CD1 4.12Å; I378-I383 HydrophobicContact CG2-CB 3.86Å; H379-I383 PolarHBondContact O-N 3.23Å; R380-I383 WeakPolarHBondContact O-CG2 3.38Å; D381-I383 PolarHBondContact O-N 3.04Å; I383-M385 VanDerWaalsContact C-N 3.31Å; I383-M385 PolarHBondContact O-N 3.14Å; I383-W386 HydrophobicContact CG1-CB 4.22Å; I383-W386 WeakPolarHBondContact O-CB 3.3Å; I383-W386 PolarHBondContact O-N 3.41Å; I383-L387 HydrophobicContact CG1-CG 4.23Å; I383-L387 HydrophobicContact CG2-CD1 3.79Å; I383-L387 HydrophobicContact CG2-CG 4.35Å; I383-L387 PolarHBondContact O-N 2.9Å |
| 384 | Q | 83.3 | Confident | 79 | Confident | 104 Ų | 104 | 77 Ų | 77 | 49% | 0.486 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -57.4 | -41.1 | -172.5 | -174.1 | 174.5 | -13.4 | 0 | 0 | 113.2 | R380 D381 C382 W386 L387 Q388 | R380-Q384 PolarHBondContact O-N 2.98Å; D381-Q384 WeakPolarHBondContact O-CB 3.43Å; D381-Q384 PolarHBondContact O-N 2.81Å; C382-Q384 VanDerWaalsContact C-N 3.32Å; C382-Q384 PolarHBondContact O-N 3.14Å; Q384-W386 VanDerWaalsContact C-N 3.29Å; Q384-W386 PolarHBondContact O-N 3.21Å; Q384-L387 PolarHBondContact O-N 3.35Å; Q384-Q388 WeakPolarHBondContact O-CG 3.42Å; Q384-Q388 PolarHBondContact O-N 2.84Å |
| 385 | M | 78 | Confident | 79 | Confident | 133 Ų | 133 | 75.9 Ų | 75.9 | 66% | 0.655 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.9 | -33.2 | 177.5 | -70.3 | -62.5 | -63.3 | 0 | 0 | 112.5 | I383 | I383-M385 VanDerWaalsContact C-N 3.31Å; I383-M385 PolarHBondContact O-N 3.14Å |
| 386 | W | 80.8 | Confident | 78.9 | Confident | 112 Ų | 112 | 73 Ų | 73 | 42% | 0.424 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -73 | -44.5 | 177.8 | 178.9 | -99.6 | 0 | 0 | 0 | 111.6 | I383 Q384 Q388 S389 S390 S394 P396 | I383-W386 HydrophobicContact CG1-CB 4.22Å; I383-W386 WeakPolarHBondContact O-CB 3.3Å; I383-W386 PolarHBondContact O-N 3.41Å; Q384-W386 VanDerWaalsContact C-N 3.29Å; Q384-W386 PolarHBondContact O-N 3.21Å; W386-Q388 PolarHBondContact O-N 3.25Å; W386-S389 PolarHBondContact O-N 3.1Å; W386-S390 PolarHBondContact O-N 3.49Å; W386-S390 VanDerWaalsContact O-N 3.07Å; W386-S390 PolarHBondContact O-OG 2.91Å; W386-S394 PolarHBondContact NE1-O 3.15Å; W386-P396 HydrophobicContact CD2-CB 3.76Å; W386-P396 HydrophobicContact CD2-CG 4.4Å; W386-P396 HydrophobicContact CE3-CB 4.23Å; W386-P396 HydrophobicContact CG-CB 4.11Å; W386-P396 HydrophobicContact CG-CG 4.23Å; W386-P396 HydrophobicContact CH2-CB 4.39Å; W386-P396 HydrophobicContact CZ2-CB 3.94Å |
| 387 | L | 79.3 | Confident | 78.6 | Confident | 44 Ų | 44 | 74.9 Ų | 74.9 | 23% | 0.23 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.4 | -25.6 | 179.3 | -68.6 | 172.3 | 0 | 0 | 0 | 113.8 | H370 I383 Q384 S389 | H370-L387 WeakPolarHBondContact CE1-CD1 3.48Å; I383-L387 HydrophobicContact CG1-CG 4.23Å; I383-L387 HydrophobicContact CG2-CD1 3.79Å; I383-L387 HydrophobicContact CG2-CG 4.35Å; I383-L387 PolarHBondContact O-N 2.9Å; Q384-L387 PolarHBondContact O-N 3.35Å; L387-S389 PolarHBondContact O-N 3.08Å |
| 388 | Q | 74.5 | Confident | 78.3 | Confident | 137 Ų | 137 | 76.1 Ų | 76.1 | 64% | 0.64 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -25.2 | 173.8 | -72.3 | 174 | 8.7 | 0 | 0 | 112.5 | Q384 W386 | Q384-Q388 WeakPolarHBondContact O-CG 3.42Å; Q384-Q388 PolarHBondContact O-N 2.84Å; W386-Q388 PolarHBondContact O-N 3.25Å |
| 389 | S | 71.7 | Confident | 77.4 | Confident | 107 Ų | 107 | 82.1 Ų | 82.1 | 75% | 0.748 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -29 | -178.5 | -56.2 | 0 | 0 | 0 | 0 | 112.7 | W386 L387 | W386-S389 PolarHBondContact O-N 3.1Å; L387-S389 PolarHBondContact O-N 3.08Å |
| 390 | S | 64.8 | Low | 75.8 | Confident | 22 Ų | 22 | 87.7 Ų | 87.7 | 15% | 0.154 | 45% | 0.451 | C | S | . | . | trans | -102.1 | 116.4 | 179.5 | 64.1 | 0 | 0 | 0 | 0 | 111.5 | W386 N392 | W386-S390 PolarHBondContact O-N 3.49Å; W386-S390 VanDerWaalsContact O-N 3.07Å; W386-S390 PolarHBondContact O-OG 2.91Å; S390-N392 PolarHBondContact O-N 3.33Å; S390-N392 VanDerWaalsContact O-N 3.15Å; S390-N392 PolarHBondContact OG-O 2.91Å | ||
| 391 | K | 61.8 | Low | 74.5 | Confident | 213 Ų | 213 | 85.5 Ų | 85.5 | 93% | 0.926 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -65.1 | -17.5 | -177.8 | -74 | -177.8 | 177.8 | 178.2 | 0 | 115.1 | ||
| 392 | N | 64.3 | Low | 72.3 | Confident | 116 Ų | 116 | 88.4 Ų | 88.4 | 62% | 0.62 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -112.2 | 150.1 | 177.3 | -63.8 | -19.6 | 0 | 0 | 0 | 108 | S390 S394 | S390-N392 PolarHBondContact O-N 3.33Å; S390-N392 VanDerWaalsContact O-N 3.15Å; S390-N392 PolarHBondContact OG-O 2.91Å; N392-S394 PolarHBondContact O-N 2.96Å; N392-S394 PolarHBondContact O-OG 3Å |
| 393 | N | 69.2 | Low | 71.6 | Confident | 104 Ų | 104 | 91.3 Ų | 91.3 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | trans | -66.8 | 53.5 | 175.7 | -62.4 | -45.9 | 0 | 0 | 0 | 111.6 | L372 | L372-N393 WeakPolarHBondContact CD2-O 3.41Š| ||
| 394 | S | 76.9 | Confident | 70.9 | Confident | 21 Ų | 21 | 96.1 Ų | 96.1 | 15% | 0.147 | 52% | 0.515 | C | S | . | . | trans | -84.6 | 138.8 | -173.1 | 60.3 | 0 | 0 | 0 | 0 | 109.9 | W386 N392 | W386-S394 PolarHBondContact NE1-O 3.15Å; N392-S394 PolarHBondContact O-N 2.96Å; N392-S394 PolarHBondContact O-OG 3Å | ||
| 395 | C | 81.7 | Confident | 70.2 | Confident | 5 Ų | 5 | 95.6 Ų | 95.6 | 3% | 0.034 | 52% | 0.516 | C | S | . | . | trans | -77 | 127.3 | 179.4 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | L372 C374 H376 F397 C398 | L372-C395 HydrophobicContact CD1-CB 4.08Å; L372-C395 HydrophobicContact CD2-CB 4.23Å; C374-C395 WeakPolarHBondContact SG-CB 3.46Å; C374-C395 VanDerWaalsContact SG-SG 3.6Å; H376-C395 PolarHBondContact ND1-SG 3.41Å; H376-C395 VanDerWaalsContact ND1-SG 3.36Å; C395-F397 PolarHBondContact O-N 3.04Å; C395-F397 VanDerWaalsContact O-N 3.08Å; C395-C398 HydrophobicContact CB-CB 4.21Å; C395-C398 PolarHBondContact O-N 3.24Å | ||
| 396 | P | 79.4 | Confident | 69.8 | Low | 36 Ų | 36 | 93.4 Ų | 93.4 | 23% | 0.234 | 51% | 0.508 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -14.3 | 179.2 | 19.7 | -28.7 | 0 | 0 | 0 | 114.4 | I378 W386 | I378-P396 HydrophobicContact CD1-CG 4.05Å; W386-P396 HydrophobicContact CD2-CB 3.76Å; W386-P396 HydrophobicContact CD2-CG 4.4Å; W386-P396 HydrophobicContact CE3-CB 4.23Å; W386-P396 HydrophobicContact CG-CB 4.11Å; W386-P396 HydrophobicContact CG-CG 4.23Å; W386-P396 HydrophobicContact CH2-CB 4.39Å; W386-P396 HydrophobicContact CZ2-CB 3.94Å |
| 397 | F | 79.8 | Confident | 69.1 | Low | 98 Ų | 98 | 92.3 Ų | 92.3 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 7.6 | -174.7 | -55.4 | -74 | 0 | 0 | 0 | 113.3 | L358 I378 C395 | L358-F397 HydrophobicContact CB-CD2 3.99Å; L358-F397 HydrophobicContact CB-CE2 3.78Å; L358-F397 HydrophobicContact CB-CZ 4.32Å; L358-F397 HydrophobicContact CD1-CB 4.47Å; L358-F397 HydrophobicContact CD1-CD2 4.04Å; L358-F397 HydrophobicContact CD1-CG 4.37Å; I378-F397 HydrophobicContact CD1-CD2 3.85Å; I378-F397 HydrophobicContact CD1-CE2 3.81Å; C395-F397 PolarHBondContact O-N 3.04Å; C395-F397 VanDerWaalsContact O-N 3.08Å |
| 398 | C | 81.3 | Confident | 68.4 | Low | 34 Ų | 34 | 95.5 Ų | 95.5 | 23% | 0.23 | 53% | 0.532 | C | S | . | . | trans | -94.5 | 130.4 | 174.4 | -70.6 | 0 | 0 | 0 | 0 | 110.5 | C374 H376 C395 D400 | C374-C398 VanDerWaalsContact SG-SG 3.69Å; H376-C398 PolarHBondContact ND1-SG 3.27Å; H376-C398 VanDerWaalsContact ND1-SG 3.42Å; C395-C398 HydrophobicContact CB-CB 4.21Å; C395-C398 PolarHBondContact O-N 3.24Å; C398-D400 VanDerWaalsContact C-N 3.31Å; C398-D400 PolarHBondContact O-N 3.21Å | ||
| 399 | P | 67.4 | Low | 68 | Low | 126 Ų | 126 | 92.5 Ų | 92.5 | 82% | 0.818 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -73.4 | -13.8 | -179.3 | 24.9 | -30.6 | 0 | 0 | 0 | 115 | ||
| 400 | D | 56.8 | Low | 67.7 | Low | 145 Ų | 145 | 91.4 Ų | 91.4 | 78% | 0.775 | 51% | 0.507 | S | S | * | . | trans | -131.4 | 85 | -177.2 | -77.3 | -48.4 | 0 | 0 | 0 | 112.9 | C398 | C398-D400 VanDerWaalsContact C-N 3.31Å; C398-D400 PolarHBondContact O-N 3.21Å | ||
| 401 | Q | 56.3 | Low | 67.9 | Low | 87 Ų | 87 | 97.2 Ų | 97.2 | 41% | 0.407 | 54% | 0.537 | S | S | . | . | trans | -138.7 | 68.6 | 159.8 | -67.6 | -162.7 | 24.5 | 0 | 0 | 110.1 | S373 | S373-Q401 PolarHBondContact OG-NE2 2.96Š| ||
| 402 | S | 40 | Very low | 68.5 | Low | 181 Ų | 181 | 86.6 Ų | 86.6 | 100% | 1.266 | 50% | 0.501 | S | S | * | . | trans | -83.7 | 0 | 153.4 | 59.9 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 402 of 402 residues in 444.8 ms
(Link to these results)