| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 53.4 | Low | 60.8 | Low | 235 Ų | 235 | 172.1 Ų | 172.1 | 100% | 1.158 | 86% | 0.864 | S | S | * | * | 0 | 102.7 | 0 | -73 | 160.5 | 70.4 | 0 | 0 | 106.9 | |||||
| 2 | F | 54.9 | Low | 59.6 | Low | 200 Ų | 200 | 170.9 Ų | 170.9 | 88% | 0.877 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 134.7 | 179.9 | -66 | -82.2 | 0 | 0 | 0 | 109.6 | K4 | F2-K4 PolarHBondContact O-N 3.45Š|
| 3 | P | 62 | Low | 58.2 | Low | 124 Ų | 124 | 165.6 Ų | 165.6 | 81% | 0.805 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 124.2 | 175.3 | 27.2 | -30.6 | 0 | 0 | 0 | 108.3 | G5 | P3-G5 PolarHBondContact O-N 3.03Š|
| 4 | K | 67.6 | Low | 57.7 | Low | 206 Ų | 206 | 158.8 Ų | 158.8 | 90% | 0.896 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 119 | 174.5 | -76.7 | 155 | 171.2 | 167.6 | 0 | 108.2 | F2 T6 | F2-K4 PolarHBondContact O-N 3.45Å; K4-T6 PolarHBondContact O-N 2.87Å |
| 5 | G | 68.6 | Low | 56.7 | Low | 76 Ų | 76 | 159.7 Ų | 159.7 | 78% | 0.784 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 128.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P3 K7 | P3-G5 PolarHBondContact O-N 3.03Å; G5-K7 PolarHBondContact O-N 3.13Å; G5-K7 VanDerWaalsContact O-N 3.08Å |
| 6 | T | 69.9 | Low | 56.4 | Low | 133 Ų | 133 | 161.7 Ų | 161.7 | 82% | 0.816 | 84% | 0.843 | S | S | * | * | trans | -67.8 | 104.5 | 174.6 | -57.2 | 0 | 0 | 0 | 0 | 109.1 | K4 R8 | K4-T6 PolarHBondContact O-N 2.87Å; T6-R8 PolarHBondContact O-N 3.32Å | ||
| 7 | K | 70.7 | Confident | 56.3 | Low | 191 Ų | 191 | 156.5 Ų | 156.5 | 83% | 0.83 | 83% | 0.829 | S | S | * | * | trans | -65 | 104.7 | 173.1 | -163.4 | -179 | -179.4 | -179.2 | 0 | 108.1 | G5 K9 | G5-K7 PolarHBondContact O-N 3.13Å; G5-K7 VanDerWaalsContact O-N 3.08Å; K7-K9 PolarHBondContact O-N 3.3Å | ||
| 8 | R | 72.5 | Confident | 56.4 | Low | 223 Ų | 223 | 152.2 Ų | 152.2 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | trans | -61.2 | 108.8 | 174.1 | -57.6 | -170 | -48 | -160.3 | 4.4 | 107.9 | T6 F10 | T6-R8 PolarHBondContact O-N 3.32Å; R8-F10 PolarHBondContact O-N 3.5Å | ||
| 9 | K | 61.5 | Low | 56.5 | Low | 189 Ų | 189 | 148.7 Ų | 148.7 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -66.4 | 121 | 164.3 | -75.7 | -89.2 | -173.7 | 177.3 | 0 | 106.1 | K7 S11 | K7-K9 PolarHBondContact O-N 3.3Å; K9-S11 PolarHBondContact O-N 3.49Å | ||
| 10 | F | 47.1 | Very low | 57.2 | Low | 204 Ų | 204 | 144.8 Ų | 144.8 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -55.2 | 118.3 | 160.4 | -95.1 | -100.2 | 0 | 0 | 0 | 106.5 | R8 D12 | R8-F10 PolarHBondContact O-N 3.5Å; F10-D12 PolarHBondContact O-N 2.98Å | ||
| 11 | S | 40.4 | Very low | 57.8 | Low | 112 Ų | 112 | 142.6 Ų | 142.6 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -68.8 | 103.2 | 167.6 | -55.2 | 0 | 0 | 0 | 0 | 106.4 | K9 S13 | K9-S11 PolarHBondContact O-N 3.49Å; S11-S13 PolarHBondContact O-N 3.27Å | ||
| 12 | D | 46.7 | Very low | 58.6 | Low | 158 Ų | 158 | 133.4 Ų | 133.4 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | trans | -63.5 | 81.9 | 161.2 | -178.3 | 33.2 | 0 | 0 | 0 | 107 | F10 G14 | F10-D12 PolarHBondContact O-N 2.98Å; D12-G14 PolarHBondContact O-N 3.42Å | ||
| 13 | S | 41.7 | Very low | 59.4 | Low | 102 Ų | 102 | 125.8 Ų | 125.8 | 71% | 0.713 | 72% | 0.718 | S | S | * | * | trans | -79.3 | 79.6 | 169.8 | 70.5 | 0 | 0 | 0 | 0 | 107.4 | S11 E15 | S11-S13 PolarHBondContact O-N 3.27Å; S13-E15 PolarHBondContact O-N 2.68Å | ||
| 14 | G | 50.2 | Low | 59.9 | Low | 70 Ų | 70 | 121.9 Ų | 121.9 | 72% | 0.722 | 70% | 0.697 | S | S | * | * | trans | -64.7 | 82.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | D12 | D12-G14 PolarHBondContact O-N 3.42Š| ||
| 15 | E | 43.8 | Very low | 60.4 | Low | 172 Ų | 172 | 120 Ų | 120 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | trans | -128.8 | 89.2 | 158.4 | -142.6 | 179.6 | 124.1 | 0 | 0 | 106.8 | S13 A17 | S13-E15 PolarHBondContact O-N 2.68Å; E15-A17 PolarHBondContact O-N 3.37Å | ||
| 16 | E | 51.6 | Low | 60.9 | Low | 192 Ų | 192 | 120.4 Ų | 120.4 | 90% | 0.897 | 67% | 0.671 | S | S | * | * | trans | -61.2 | 68.7 | 164.2 | -84.5 | -82.2 | 132.1 | 0 | 0 | 109.2 | A18 | E16-A18 PolarHBondContact O-N 3.2Š| ||
| 17 | A | 54.3 | Low | 61.5 | Low | 74 Ų | 74 | 119.6 Ų | 119.6 | 61% | 0.612 | 66% | 0.661 | S | S | * | * | trans | -88.4 | 90.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 105 | E15 | E15-A17 PolarHBondContact O-N 3.37Š| ||
| 18 | A | 57.5 | Low | 62.1 | Low | 78 Ų | 78 | 113.8 Ų | 113.8 | 65% | 0.645 | 65% | 0.645 | S | S | * | * | trans | -40.3 | 121.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | E16 S20 | E16-A18 PolarHBondContact O-N 3.2Å; A18-S20 PolarHBondContact O-N 3.42Å | ||
| 19 | P | 59.8 | Low | 62.7 | Low | 87 Ų | 87 | 106.8 Ų | 106.8 | 57% | 0.565 | 63% | 0.63 | S | S | * | * | trans | -52.7 | 125.7 | -176.8 | 19.9 | -30.9 | 0 | 0 | 0 | 106.8 | A24 | P19-A24 HydrophobicContact CB-CB 4.47Å; P19-A24 HydrophobicContact CG-CB 4.44Å | ||
| 20 | S | 69.3 | Low | 64 | Low | 70 Ų | 70 | 101.4 Ų | 101.4 | 49% | 0.49 | 62% | 0.616 | S | S | . | * | trans | -43 | 134.1 | 176.3 | 163.1 | 0 | 0 | 0 | 0 | 107.8 | A18 A22 A23 A24 | A18-S20 PolarHBondContact O-N 3.42Å; S20-A22 CarbonylContact O-C 3.5Å; S20-A22 PolarHBondContact O-N 3.01Å; S20-A22 PolarHBondContact OG-N 2.95Å; S20-A23 WeakPolarHBondContact O-CA 3.24Å; S20-A23 WeakPolarHBondContact O-CB 3.42Å; S20-A23 PolarHBondContact O-N 3.33Å; S20-A24 PolarHBondContact O-N 3.11Å | ||
| 21 | P | 69.9 | Low | 66.3 | Low | 98 Ų | 98 | 96.1 Ų | 96.1 | 64% | 0.636 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -56.7 | -18.6 | -175.7 | 20.9 | -32.7 | 0 | 0 | 0 | 112.3 | R25 | P21-R25 WeakPolarHBondContact O-CB 3.39Å; P21-R25 VanDerWaalsContact O-CG 3.31Å; P21-R25 WeakPolarHBondContact O-CG 3.29Å; P21-R25 PolarHBondContact O-N 3.45Å; P21-R25 PolarHBondContact O-NE 2.9Å |
| 22 | A | 71.2 | Confident | 68.8 | Low | 43 Ų | 43 | 92.5 Ų | 92.5 | 36% | 0.355 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.2 | -45.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S20 R25 T26 | S20-A22 CarbonylContact O-C 3.5Å; S20-A22 PolarHBondContact O-N 3.01Å; S20-A22 PolarHBondContact OG-N 2.95Å; A22-R25 PolarHBondContact O-N 3.34Å; A22-T26 WeakPolarHBondContact O-CG2 3.22Å; A22-T26 PolarHBondContact O-N 3.34Å; A22-T26 PolarHBondContact O-OG1 3.08Å |
| 23 | A | 71.2 | Confident | 71 | Confident | 40 Ų | 40 | 91 Ų | 91 | 33% | 0.331 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.9 | -39.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S20 R25 T26 L27 | S20-A23 WeakPolarHBondContact O-CA 3.24Å; S20-A23 WeakPolarHBondContact O-CB 3.42Å; S20-A23 PolarHBondContact O-N 3.33Å; A23-R25 VanDerWaalsContact C-N 3.34Å; A23-R25 PolarHBondContact O-N 2.94Å; A23-T26 WeakPolarHBondContact CA-OG1 3.4Å; A23-T26 PolarHBondContact O-N 3.47Å; A23-T26 PolarHBondContact O-OG1 3.4Å; A23-L27 WeakPolarHBondContact O-CB 3.31Å; A23-L27 VanDerWaalsContact O-CG 3.27Å; A23-L27 WeakPolarHBondContact O-CG 3.47Å; A23-L27 PolarHBondContact O-N 2.89Å |
| 24 | A | 73.4 | Confident | 73.5 | Confident | 42 Ų | 42 | 91.6 Ų | 91.6 | 35% | 0.347 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | P19 S20 S28 | P19-A24 HydrophobicContact CB-CB 4.47Å; P19-A24 HydrophobicContact CG-CB 4.44Å; S20-A24 PolarHBondContact O-N 3.11Å; A24-S28 VanDerWaalsContact O-CB 3.31Å; A24-S28 WeakPolarHBondContact O-CB 3.37Å; A24-S28 PolarHBondContact O-N 2.76Å |
| 25 | R | 76.3 | Confident | 75.7 | Confident | 166 Ų | 166 | 88.6 Ų | 88.6 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.7 | -39.3 | 175.3 | -80.3 | -178 | -71.3 | 118.8 | -8 | 113.1 | P21 A22 A23 S28 S29 | P21-R25 WeakPolarHBondContact O-CB 3.39Å; P21-R25 VanDerWaalsContact O-CG 3.31Å; P21-R25 WeakPolarHBondContact O-CG 3.29Å; P21-R25 PolarHBondContact O-N 3.45Å; P21-R25 PolarHBondContact O-NE 2.9Å; A22-R25 PolarHBondContact O-N 3.34Å; A23-R25 VanDerWaalsContact C-N 3.34Å; A23-R25 PolarHBondContact O-N 2.94Å; R25-S28 PolarHBondContact O-N 3.36Å; R25-S29 WeakPolarHBondContact O-CB 3.32Å; R25-S29 PolarHBondContact O-N 3.44Å |
| 26 | T | 80.1 | Confident | 78.1 | Confident | 84 Ų | 84 | 82.2 Ų | 82.2 | 52% | 0.515 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 176.4 | 51.2 | 0 | 0 | 0 | 0 | 111.5 | A22 A23 S29 S30 | A22-T26 WeakPolarHBondContact O-CG2 3.22Å; A22-T26 PolarHBondContact O-N 3.34Å; A22-T26 PolarHBondContact O-OG1 3.08Å; A23-T26 WeakPolarHBondContact CA-OG1 3.4Å; A23-T26 PolarHBondContact O-N 3.47Å; A23-T26 PolarHBondContact O-OG1 3.4Å; T26-S29 PolarHBondContact O-N 2.89Å; T26-S30 PolarHBondContact O-N 3.36Å; T26-S30 PolarHBondContact O-OG 3.17Å |
| 27 | L | 82 | Confident | 80.2 | Confident | 117 Ų | 117 | 76.5 Ų | 76.5 | 61% | 0.613 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.6 | -42.5 | 176.6 | -70 | 170.4 | 0 | 0 | 0 | 111.8 | A23 S29 S30 Y31 | A23-L27 WeakPolarHBondContact O-CB 3.31Å; A23-L27 VanDerWaalsContact O-CG 3.27Å; A23-L27 WeakPolarHBondContact O-CG 3.47Å; A23-L27 PolarHBondContact O-N 2.89Å; L27-S29 VanDerWaalsContact C-N 3.32Å; L27-S29 PolarHBondContact O-N 3.48Å; L27-S30 PolarHBondContact O-N 3.42Å; L27-Y31 VanDerWaalsContact O-CB 3.3Å; L27-Y31 WeakPolarHBondContact O-CB 3.35Å; L27-Y31 PolarHBondContact O-N 3.38Å |
| 28 | S | 83.1 | Confident | 82.3 | Confident | 69 Ų | 69 | 76.9 Ų | 76.9 | 48% | 0.483 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 174.5 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | A24 R25 S32 | A24-S28 VanDerWaalsContact O-CB 3.31Å; A24-S28 WeakPolarHBondContact O-CB 3.37Å; A24-S28 PolarHBondContact O-N 2.76Å; R25-S28 PolarHBondContact O-N 3.36Å; S28-S32 VanDerWaalsContact O-CB 3.31Å; S28-S32 WeakPolarHBondContact O-CB 3.39Å; S28-S32 PolarHBondContact O-N 3.09Å; S28-S32 PolarHBondContact O-OG 3.47Å |
| 29 | S | 84.8 | Confident | 84.1 | Confident | 75 Ų | 75 | 73.5 Ų | 73.5 | 52% | 0.524 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.2 | -48.9 | 174.3 | -177.8 | 0 | 0 | 0 | 0 | 112.4 | R25 T26 L27 Y31 S32 L33 | R25-S29 WeakPolarHBondContact O-CB 3.32Å; R25-S29 PolarHBondContact O-N 3.44Å; T26-S29 PolarHBondContact O-N 2.89Å; L27-S29 VanDerWaalsContact C-N 3.32Å; L27-S29 PolarHBondContact O-N 3.48Å; S29-Y31 VanDerWaalsContact C-N 3.33Å; S29-Y31 PolarHBondContact O-N 3.44Å; S29-S32 PolarHBondContact O-N 3.4Å; S29-S32 PolarHBondContact O-OG 3Å; S29-L33 PolarHBondContact O-N 3.36Å |
| 30 | S | 90.7 | Very high | 85.8 | Confident | 77 Ų | 77 | 72.9 Ų | 72.9 | 54% | 0.538 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 177.2 | -63.9 | 0 | 0 | 0 | 0 | 112.4 | T26 L27 L33 Q34 | T26-S30 PolarHBondContact O-N 3.36Å; T26-S30 PolarHBondContact O-OG 3.17Å; L27-S30 PolarHBondContact O-N 3.42Å; S30-L33 PolarHBondContact O-N 2.9Å; S30-Q34 WeakPolarHBondContact O-CB 3.32Å; S30-Q34 PolarHBondContact O-N 3.36Å |
| 31 | Y | 94.6 | Very high | 87.2 | Confident | 93 Ų | 93 | 74.5 Ų | 74.5 | 37% | 0.365 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 176.3 | 179.7 | -112 | 0 | 0 | 0 | 112 | L27 S29 L33 Q34 R35 E73 | L27-Y31 VanDerWaalsContact O-CB 3.3Å; L27-Y31 WeakPolarHBondContact O-CB 3.35Å; L27-Y31 PolarHBondContact O-N 3.38Å; S29-Y31 VanDerWaalsContact C-N 3.33Å; S29-Y31 PolarHBondContact O-N 3.44Å; Y31-L33 PolarHBondContact O-N 2.92Å; Y31-Q34 PolarHBondContact O-N 3.37Å; Y31-R35 HydrophobicContact CE1-CG 4.11Å; Y31-R35 HydrophobicContact CE2-CG 4.16Å; Y31-R35 WeakPolarHBondContact O-CG 3.45Å; Y31-R35 PolarHBondContact O-N 2.78Å; Y31-E73 PolarHBondContact OH-OE1 3.28Å |
| 32 | S | 92.9 | Very high | 88.4 | Confident | 35 Ų | 35 | 70 Ų | 70 | 25% | 0.245 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 175.4 | 77.4 | 0 | 0 | 0 | 0 | 112.4 | S28 S29 R35 Q36 | S28-S32 VanDerWaalsContact O-CB 3.31Å; S28-S32 WeakPolarHBondContact O-CB 3.39Å; S28-S32 PolarHBondContact O-N 3.09Å; S28-S32 PolarHBondContact O-OG 3.47Å; S29-S32 PolarHBondContact O-N 3.4Å; S29-S32 PolarHBondContact O-OG 3Å; S32-R35 PolarHBondContact O-N 3.43Å; S32-Q36 PolarHBondContact O-N 3.45Å; S32-Q36 VanDerWaalsContact O-N 3.08Å |
| 33 | L | 91.9 | Very high | 89.6 | Confident | 126 Ų | 126 | 71.2 Ų | 71.2 | 66% | 0.66 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -67.3 | -39.9 | 176.7 | -173 | 70.3 | 0 | 0 | 0 | 111.6 | S29 S30 Y31 Q36 S37 | S29-L33 PolarHBondContact O-N 3.36Å; S30-L33 PolarHBondContact O-N 2.9Å; Y31-L33 PolarHBondContact O-N 2.92Å; L33-Q36 PolarHBondContact O-N 2.84Å; L33-S37 PolarHBondContact O-N 3.11Å |
| 34 | Q | 95.4 | Very high | 90.8 | Very high | 116 Ų | 116 | 73.3 Ų | 73.3 | 54% | 0.542 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 175.9 | -179.5 | 178.5 | -2.7 | 0 | 0 | 111.5 | S30 Y31 Q36 S37 L38 | S30-Q34 WeakPolarHBondContact O-CB 3.32Å; S30-Q34 PolarHBondContact O-N 3.36Å; Y31-Q34 PolarHBondContact O-N 3.37Å; Q34-Q36 VanDerWaalsContact C-N 3.28Å; Q34-Q36 PolarHBondContact O-N 3.15Å; Q34-S37 PolarHBondContact O-N 3.09Å; Q34-L38 HydrophobicContact CG-CD1 4.18Å; Q34-L38 WeakPolarHBondContact O-CB 3.32Å; Q34-L38 WeakPolarHBondContact O-CG 3.27Å; Q34-L38 PolarHBondContact O-N 3.49Å |
| 35 | R | 95 | Very high | 91.8 | Very high | 7 Ų | 7 | 74.8 Ų | 74.8 | 3% | 0.026 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.3 | -42.5 | 175.2 | -75.5 | -170.2 | -59.8 | -165.3 | 2.9 | 111.3 | Y31 S32 L38 L39 I70 E73 M74 D77 | Y31-R35 HydrophobicContact CE1-CG 4.11Å; Y31-R35 HydrophobicContact CE2-CG 4.16Å; Y31-R35 WeakPolarHBondContact O-CG 3.45Å; Y31-R35 PolarHBondContact O-N 2.78Å; S32-R35 PolarHBondContact O-N 3.43Å; R35-L38 PolarHBondContact O-N 2.91Å; R35-L39 WeakPolarHBondContact O-CB 3.3Å; R35-L39 PolarHBondContact O-N 3.46Å; R35-I70 HydrophobicContact CB-CG2 4.05Å; R35-E73 PolarHBondContact NH1-O 2.96Å; R35-M74 HydrophobicContact CB-CG 4.44Å; R35-M74 HydrophobicContact CB-SD 4.42Å; R35-D77 IonicContact CZ-OD2 2.72Å; R35-D77 VanDerWaalsContact CZ-OD2 3.22Å; R35-D77 IonicContact NH1-OD2 3.62Å; R35-D77 PolarHBondContact NH1-OD2 2.95Å; R35-D77 IonicContact NH2-OD2 2.78Å; R35-D77 PolarHBondContact NH2-OD2 3.39Å |
| 36 | Q | 95.1 | Very high | 92.7 | Very high | 38 Ų | 38 | 68.7 Ų | 68.7 | 18% | 0.178 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 176.6 | -179.1 | 52 | 31.2 | 0 | 0 | 112.4 | S32 L33 Q34 L38 L39 D40 M83 | S32-Q36 PolarHBondContact O-N 3.45Å; S32-Q36 VanDerWaalsContact O-N 3.08Å; L33-Q36 PolarHBondContact O-N 2.84Å; Q34-Q36 VanDerWaalsContact C-N 3.28Å; Q34-Q36 PolarHBondContact O-N 3.15Å; Q36-L38 VanDerWaalsContact C-N 3.29Å; Q36-L38 PolarHBondContact O-N 3.22Å; Q36-L39 WeakPolarHBondContact O-CB 3.48Å; Q36-L39 PolarHBondContact O-N 2.96Å; Q36-L39 VanDerWaalsContact O-N 3.13Å; Q36-D40 VanDerWaalsContact NE2-CG 3.26Å; Q36-D40 PolarHBondContact NE2-OD1 2.92Å; Q36-D40 PolarHBondContact NE2-OD2 3.31Å; Q36-D40 VanDerWaalsContact NE2-OD2 3.11Å; Q36-D40 PolarHBondContact O-N 3.36Å; Q36-M83 HydrophobicContact CB-CE 4.31Å; Q36-M83 VanDerWaalsContact CD-CE 3.49Å; Q36-M83 HydrophobicContact CG-CE 3.94Å; Q36-M83 PolarHBondContact OE1-SD 3.44Å |
| 37 | S | 95.9 | Very high | 93.3 | Very high | 71 Ų | 71 | 69.9 Ų | 69.9 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 177.4 | -179.1 | 0 | 0 | 0 | 0 | 112.4 | L33 Q34 D40 M41 | L33-S37 PolarHBondContact O-N 3.11Å; Q34-S37 PolarHBondContact O-N 3.09Å; S37-D40 PolarHBondContact O-N 3.03Å; S37-M41 WeakPolarHBondContact O-CB 3.4Å; S37-M41 WeakPolarHBondContact O-CG 3.37Å; S37-M41 PolarHBondContact O-N 3.43Å |
| 38 | L | 97.3 | Very high | 93.8 | Very high | 83 Ų | 83 | 69 Ų | 69 | 44% | 0.435 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67 | -36.6 | 175.1 | -75.1 | 174 | 0 | 0 | 0 | 112.5 | Q34 R35 Q36 S42 I70 | Q34-L38 HydrophobicContact CG-CD1 4.18Å; Q34-L38 WeakPolarHBondContact O-CB 3.32Å; Q34-L38 WeakPolarHBondContact O-CG 3.27Å; Q34-L38 PolarHBondContact O-N 3.49Å; R35-L38 PolarHBondContact O-N 2.91Å; Q36-L38 VanDerWaalsContact C-N 3.29Å; Q36-L38 PolarHBondContact O-N 3.22Å; L38-S42 WeakPolarHBondContact O-CB 3.25Å; L38-S42 PolarHBondContact O-N 2.91Å; L38-S42 PolarHBondContact O-OG 3.32Å; L38-I70 HydrophobicContact CB-CD1 3.84Å |
| 39 | L | 96.6 | Very high | 94.1 | Very high | 7 Ų | 7 | 65.7 Ų | 65.7 | 4% | 0.037 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.3 | -51 | 174.2 | 179.9 | 66.5 | 0 | 0 | 0 | 110.2 | R35 Q36 M41 S42 L43 V67 I70 M74 W80 | R35-L39 WeakPolarHBondContact O-CB 3.3Å; R35-L39 PolarHBondContact O-N 3.46Å; Q36-L39 WeakPolarHBondContact O-CB 3.48Å; Q36-L39 PolarHBondContact O-N 2.96Å; Q36-L39 VanDerWaalsContact O-N 3.13Å; L39-M41 PolarHBondContact O-N 2.86Å; L39-S42 CarbonylContact O-C 3.59Å; L39-S42 WeakPolarHBondContact O-CA 3.36Å; L39-S42 PolarHBondContact O-N 3.35Å; L39-L43 HydrophobicContact CD1-CD1 4.34Å; L39-L43 HydrophobicContact CD1-CG 4.35Å; L39-L43 HydrophobicContact CG-CD1 4.09Å; L39-L43 HydrophobicContact CG-CG 4.48Å; L39-L43 WeakPolarHBondContact O-CG 3.31Å; L39-L43 PolarHBondContact O-N 2.93Å; L39-V67 HydrophobicContact CD1-CB 4.46Å; L39-V67 HydrophobicContact CD1-CG1 3.88Å; L39-V67 HydrophobicContact CD1-CG2 4.41Å; L39-I70 HydrophobicContact CB-CG2 4.13Å; L39-M74 HydrophobicContact CD2-SD 4.37Å; L39-W80 HydrophobicContact CD2-CZ3 3.75Å |
| 40 | D | 96 | Very high | 94.1 | Very high | 73 Ų | 73 | 67.9 Ų | 67.9 | 39% | 0.39 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.6 | -49 | 179.3 | -67.1 | -30.6 | 0 | 0 | 0 | 111.3 | Q36 S37 S42 L43 I44 | Q36-D40 VanDerWaalsContact NE2-CG 3.26Å; Q36-D40 PolarHBondContact NE2-OD1 2.92Å; Q36-D40 PolarHBondContact NE2-OD2 3.31Å; Q36-D40 VanDerWaalsContact NE2-OD2 3.11Å; Q36-D40 PolarHBondContact O-N 3.36Å; S37-D40 PolarHBondContact O-N 3.03Å; D40-S42 VanDerWaalsContact C-N 3.27Å; D40-S42 PolarHBondContact O-N 2.72Å; D40-L43 PolarHBondContact O-N 2.89Å; D40-I44 WeakPolarHBondContact O-CG1 3.44Å; D40-I44 PolarHBondContact O-N 3.5Å |
| 41 | M | 96.8 | Very high | 94 | Very high | 105 Ų | 105 | 71.6 Ų | 71.6 | 52% | 0.517 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.9 | -37.9 | 175 | -78.6 | -62.7 | -63.5 | 0 | 0 | 112.4 | S37 L39 K45 | S37-M41 WeakPolarHBondContact O-CB 3.4Å; S37-M41 WeakPolarHBondContact O-CG 3.37Å; S37-M41 PolarHBondContact O-N 3.43Å; L39-M41 PolarHBondContact O-N 2.86Å; M41-K45 WeakPolarHBondContact O-CB 3.31Å; M41-K45 WeakPolarHBondContact O-CE 3.42Å; M41-K45 VanDerWaalsContact O-CG 3.26Å; M41-K45 WeakPolarHBondContact O-CG 3.37Å; M41-K45 PolarHBondContact O-N 2.95Å |
| 42 | S | 97 | Very high | 93.7 | Very high | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.014 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -72.5 | -36.8 | -179.4 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | L38 L39 D40 K45 L46 I63 | L38-S42 WeakPolarHBondContact O-CB 3.25Å; L38-S42 PolarHBondContact O-N 2.91Å; L38-S42 PolarHBondContact O-OG 3.32Å; L39-S42 CarbonylContact O-C 3.59Å; L39-S42 WeakPolarHBondContact O-CA 3.36Å; L39-S42 PolarHBondContact O-N 3.35Å; D40-S42 VanDerWaalsContact C-N 3.27Å; D40-S42 PolarHBondContact O-N 2.72Å; S42-K45 PolarHBondContact O-N 2.78Å; S42-L46 WeakPolarHBondContact O-CB 3.38Å; S42-L46 PolarHBondContact O-N 3.47Å; S42-I63 WeakPolarHBondContact O-CG2 3.3Å |
| 43 | L | 96.1 | Very high | 93.4 | Very high | 70 Ų | 70 | 77.1 Ų | 77.1 | 37% | 0.366 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.2 | -44 | 173.1 | -68.6 | 173 | 0 | 0 | 0 | 111.5 | L39 D40 K45 L46 Q47 V67 | L39-L43 HydrophobicContact CD1-CD1 4.34Å; L39-L43 HydrophobicContact CD1-CG 4.35Å; L39-L43 HydrophobicContact CG-CD1 4.09Å; L39-L43 HydrophobicContact CG-CG 4.48Å; L39-L43 WeakPolarHBondContact O-CG 3.31Å; L39-L43 PolarHBondContact O-N 2.93Å; D40-L43 PolarHBondContact O-N 2.89Å; L43-K45 PolarHBondContact O-N 3.49Å; L43-L46 WeakPolarHBondContact O-CB 3.33Å; L43-L46 PolarHBondContact O-N 2.96Å; L43-Q47 WeakPolarHBondContact O-CG 3.4Å; L43-Q47 PolarHBondContact O-N 3.34Å; L43-V67 HydrophobicContact CD2-CG1 4.23Å; L43-V67 HydrophobicContact CD2-CG2 4.29Å |
| 44 | I | 95.7 | Very high | 93.1 | Very high | 83 Ų | 83 | 79.1 Ų | 79.1 | 43% | 0.426 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 174 | -66.5 | 162.5 | 0 | 0 | 0 | 110.3 | D40 L46 Q47 L48 | D40-I44 WeakPolarHBondContact O-CG1 3.44Å; D40-I44 PolarHBondContact O-N 3.5Å; I44-L46 PolarHBondContact O-N 3.48Å; I44-Q47 PolarHBondContact O-N 2.86Å; I44-L48 HydrophobicContact CG2-CD1 3.87Å; I44-L48 HydrophobicContact CG2-CG 4.3Å; I44-L48 WeakPolarHBondContact O-CG 3.44Å; I44-L48 PolarHBondContact O-N 3.48Å |
| 45 | K | 95.4 | Very high | 92.6 | Very high | 73 Ų | 73 | 77.5 Ų | 77.5 | 32% | 0.317 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.9 | -36.9 | 177.3 | -78.1 | -179.9 | -57.4 | -177.5 | 0 | 112 | M41 S42 L43 C49 I63 | M41-K45 WeakPolarHBondContact O-CB 3.31Å; M41-K45 WeakPolarHBondContact O-CE 3.42Å; M41-K45 VanDerWaalsContact O-CG 3.26Å; M41-K45 WeakPolarHBondContact O-CG 3.37Å; M41-K45 PolarHBondContact O-N 2.95Å; S42-K45 PolarHBondContact O-N 2.78Å; L43-K45 PolarHBondContact O-N 3.49Å; K45-C49 VanDerWaalsContact O-CB 3.27Å; K45-C49 WeakPolarHBondContact O-CB 3.2Å; K45-C49 PolarHBondContact O-N 3.37Å; K45-I63 HydrophobicContact CB-CD1 3.92Å; K45-I63 HydrophobicContact CB-CG1 4.41Å; K45-I63 HydrophobicContact CB-CG2 4.34Å |
| 46 | L | 93.3 | Very high | 92.4 | Very high | 39 Ų | 39 | 81.5 Ų | 81.5 | 20% | 0.204 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -67.5 | -49.2 | 177.9 | -169.2 | 63.3 | 0 | 0 | 0 | 110.3 | S42 L43 I44 L48 C49 H50 I63 | S42-L46 WeakPolarHBondContact O-CB 3.38Å; S42-L46 PolarHBondContact O-N 3.47Å; L43-L46 WeakPolarHBondContact O-CB 3.33Å; L43-L46 PolarHBondContact O-N 2.96Å; I44-L46 PolarHBondContact O-N 3.48Å; L46-L48 PolarHBondContact O-N 3.31Å; L46-C49 WeakPolarHBondContact O-CA 2.97Å; L46-C49 WeakPolarHBondContact O-CB 3.46Å; L46-C49 PolarHBondContact O-N 3.04Å; L46-H50 PolarHBondContact O-CD2 2.85Å; L46-H50 PolarHBondContact O-N 2.73Å; L46-H50 VanDerWaalsContact O-N 3.16Å; L46-I63 HydrophobicContact CB-CG2 3.8Å; L46-I63 HydrophobicContact CD1-CB 4.34Å; L46-I63 HydrophobicContact CD1-CG2 4.1Å; L46-I63 HydrophobicContact CG-CG2 4.48Å |
| 47 | Q | 92.8 | Very high | 92.3 | Very high | 108 Ų | 108 | 86 Ų | 86 | 51% | 0.505 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -55.8 | -49.4 | 176 | -72.1 | 172.9 | -27.4 | 0 | 0 | 111.7 | L43 I44 C49 H50 M51 | L43-Q47 WeakPolarHBondContact O-CG 3.4Å; L43-Q47 PolarHBondContact O-N 3.34Å; I44-Q47 PolarHBondContact O-N 2.86Å; Q47-C49 VanDerWaalsContact C-N 3.27Å; Q47-C49 PolarHBondContact O-N 3.4Å; Q47-H50 PolarHBondContact O-N 2.67Å; Q47-H50 VanDerWaalsContact O-N 3.1Å; Q47-M51 WeakPolarHBondContact O-CG 3.45Å; Q47-M51 PolarHBondContact O-N 3.2Å |
| 48 | L | 93.4 | Very high | 92.3 | Very high | 99 Ų | 99 | 86.6 Ų | 86.6 | 52% | 0.518 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.1 | -34.8 | 176.8 | -66.9 | 175 | 0 | 0 | 0 | 112.2 | I44 L46 H50 M51 L52 | I44-L48 HydrophobicContact CG2-CD1 3.87Å; I44-L48 HydrophobicContact CG2-CG 4.3Å; I44-L48 WeakPolarHBondContact O-CG 3.44Å; I44-L48 PolarHBondContact O-N 3.48Å; L46-L48 PolarHBondContact O-N 3.31Å; L48-H50 PolarHBondContact O-N 3.01Å; L48-M51 PolarHBondContact O-N 3.37Å; L48-M51 VanDerWaalsContact O-N 3.1Å; L48-L52 PolarHBondContact O-N 3.42Å |
| 49 | C | 89.1 | Confident | 92.2 | Very high | 0 Ų | 0 | 87.6 Ų | 87.6 | 0% | 0 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -58.7 | -36.3 | 174.7 | -122.6 | 0 | 0 | 0 | 0 | 112.2 | K45 L46 Q47 M51 R59 I63 | K45-C49 VanDerWaalsContact O-CB 3.27Å; K45-C49 WeakPolarHBondContact O-CB 3.2Å; K45-C49 PolarHBondContact O-N 3.37Å; L46-C49 WeakPolarHBondContact O-CA 2.97Å; L46-C49 WeakPolarHBondContact O-CB 3.46Å; L46-C49 PolarHBondContact O-N 3.04Å; Q47-C49 VanDerWaalsContact C-N 3.27Å; Q47-C49 PolarHBondContact O-N 3.4Å; C49-M51 VanDerWaalsContact C-N 3.34Å; C49-R59 PolarHBondContact SG-NH1 3.35Å; C49-I63 HydrophobicContact CB-CD1 4.49Å |
| 50 | H | 85.4 | Confident | 92.2 | Very high | 121 Ų | 121 | 88.1 Ų | 88.1 | 56% | 0.56 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -78.6 | -16.6 | 177.8 | -77.2 | -79.5 | 0 | 0 | 0 | 113.7 | L46 Q47 L48 | L46-H50 PolarHBondContact O-CD2 2.85Å; L46-H50 PolarHBondContact O-N 2.73Å; L46-H50 VanDerWaalsContact O-N 3.16Å; Q47-H50 PolarHBondContact O-N 2.67Å; Q47-H50 VanDerWaalsContact O-N 3.1Å; L48-H50 PolarHBondContact O-N 3.01Å |
| 51 | M | 88 | Confident | 92.2 | Very high | 154 Ų | 154 | 87.9 Ų | 87.9 | 76% | 0.759 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -94 | -6.5 | 178.3 | -65.5 | -173 | 71.9 | 0 | 0 | 113.8 | Q47 L48 C49 | Q47-M51 WeakPolarHBondContact O-CG 3.45Å; Q47-M51 PolarHBondContact O-N 3.2Å; L48-M51 PolarHBondContact O-N 3.37Å; L48-M51 VanDerWaalsContact O-N 3.1Å; C49-M51 VanDerWaalsContact C-N 3.34Å |
| 52 | L | 88.3 | Confident | 92.2 | Very high | 94 Ų | 94 | 87.9 Ų | 87.9 | 49% | 0.492 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -68.8 | 144.7 | 175.1 | -74.9 | 161.2 | 0 | 0 | 0 | 110.5 | L48 E54 | L48-L52 PolarHBondContact O-N 3.42Å; L52-E54 PolarHBondContact O-N 3.11Å |
| 53 | V | 87.5 | Confident | 92.2 | Very high | 151 Ų | 151 | 88.3 Ų | 88.3 | 92% | 0.915 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -55.9 | -33.3 | 176.3 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 54 | E | 85.7 | Confident | 92.3 | Very high | 168 Ų | 168 | 86.6 Ų | 86.6 | 79% | 0.785 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -130.9 | 108.6 | 170.1 | -69 | -168.6 | 149.5 | 0 | 0 | 111 | L52 N56 | L52-E54 PolarHBondContact O-N 3.11Å; E54-N56 PolarHBondContact O-N 3.1Å |
| 55 | P | 83.7 | Confident | 92.4 | Very high | 82 Ų | 82 | 86 Ų | 86 | 53% | 0.532 | 45% | 0.453 | S | S | . | . | trans | -74.8 | 123.5 | 177.8 | 28.2 | -32.6 | 0 | 0 | 0 | 111 | L57 | P55-L57 PolarHBondContact O-N 3.4Š| ||
| 56 | N | 91.6 | Very high | 92.5 | Very high | 90 Ų | 90 | 85.4 Ų | 85.4 | 48% | 0.481 | 46% | 0.456 | S | S | . | . | trans | -81.8 | 113.9 | 174.9 | -176.2 | -75.9 | 0 | 0 | 0 | 110.9 | E54 C58 R59 S60 | E54-N56 PolarHBondContact O-N 3.1Å; N56-C58 PolarHBondContact O-N 3.47Å; N56-C58 WeakPolarHBondContact OD1-CA 2.78Å; N56-C58 VanDerWaalsContact OD1-CB 3.3Å; N56-C58 WeakPolarHBondContact OD1-CB 3.36Å; N56-C58 PolarHBondContact OD1-N 3.39Å; N56-C58 VanDerWaalsContact OD1-N 3.1Å; N56-R59 HydrophobicContact CB-CB 3.96Å; N56-R59 PolarHBondContact O-N 2.86Å; N56-R59 PolarHBondContact OD1-N 3.07Å; N56-S60 PolarHBondContact O-N 3.38Å; N56-S60 PolarHBondContact O-OG 2.84Å | ||
| 57 | L | 93.5 | Very high | 92.7 | Very high | 133 Ų | 133 | 84.5 Ų | 84.5 | 70% | 0.696 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -58.1 | -44.5 | -178.5 | 180 | 63.5 | 0 | 0 | 0 | 112.6 | P55 R59 S60 V61 | P55-L57 PolarHBondContact O-N 3.4Å; L57-R59 VanDerWaalsContact C-N 3.31Å; L57-R59 PolarHBondContact O-N 3.09Å; L57-S60 PolarHBondContact O-N 3.22Å; L57-V61 HydrophobicContact CD1-CG2 3.86Å; L57-V61 HydrophobicContact CG-CG2 4.18Å; L57-V61 WeakPolarHBondContact O-CB 3.49Å; L57-V61 VanDerWaalsContact O-CG2 3.26Å; L57-V61 WeakPolarHBondContact O-CG2 3.08Å; L57-V61 PolarHBondContact O-N 2.78Å |
| 58 | C | 95.7 | Very high | 92.9 | Very high | 83 Ų | 83 | 85.4 Ų | 85.4 | 56% | 0.561 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -58.1 | -45.8 | 178.8 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | N56 V61 L62 | N56-C58 PolarHBondContact O-N 3.47Å; N56-C58 WeakPolarHBondContact OD1-CA 2.78Å; N56-C58 VanDerWaalsContact OD1-CB 3.3Å; N56-C58 WeakPolarHBondContact OD1-CB 3.36Å; N56-C58 PolarHBondContact OD1-N 3.39Å; N56-C58 VanDerWaalsContact OD1-N 3.1Å; C58-V61 PolarHBondContact O-N 2.91Å; C58-L62 WeakPolarHBondContact O-CB 3.13Å; C58-L62 VanDerWaalsContact O-CG 3.27Å; C58-L62 WeakPolarHBondContact O-CG 3.27Å; C58-L62 PolarHBondContact O-N 3.28Å |
| 59 | R | 95.6 | Very high | 93.1 | Very high | 105 Ų | 105 | 85.2 Ų | 85.2 | 40% | 0.396 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 176.8 | -167 | 177.8 | -173.1 | -89.5 | 3.2 | 111.9 | C49 N56 L57 L62 I63 | C49-R59 PolarHBondContact SG-NH1 3.35Å; N56-R59 HydrophobicContact CB-CB 3.96Å; N56-R59 PolarHBondContact O-N 2.86Å; N56-R59 PolarHBondContact OD1-N 3.07Å; L57-R59 VanDerWaalsContact C-N 3.31Å; L57-R59 PolarHBondContact O-N 3.09Å; R59-L62 PolarHBondContact O-N 3.44Å; R59-I63 HydrophobicContact CG-CD1 3.9Å; R59-I63 WeakPolarHBondContact O-CD1 3.32Å; R59-I63 VanDerWaalsContact O-CG1 3.23Å; R59-I63 WeakPolarHBondContact O-CG1 3.18Å; R59-I63 PolarHBondContact O-N 2.85Å |
| 60 | S | 94.9 | Very high | 93.5 | Very high | 18 Ų | 18 | 85.8 Ų | 85.8 | 13% | 0.126 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 179 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | N56 L57 I63 A64 | N56-S60 PolarHBondContact O-N 3.38Å; N56-S60 PolarHBondContact O-OG 2.84Å; L57-S60 PolarHBondContact O-N 3.22Å; S60-I63 PolarHBondContact O-N 3.23Å; S60-A64 VanDerWaalsContact O-CB 3.27Å; S60-A64 WeakPolarHBondContact O-CB 3.37Å; S60-A64 PolarHBondContact O-N 3.03Å |
| 61 | V | 96.6 | Very high | 93.9 | Very high | 67 Ų | 67 | 83.4 Ų | 83.4 | 41% | 0.406 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 176.5 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | L57 C58 A64 N65 | L57-V61 HydrophobicContact CD1-CG2 3.86Å; L57-V61 HydrophobicContact CG-CG2 4.18Å; L57-V61 WeakPolarHBondContact O-CB 3.49Å; L57-V61 VanDerWaalsContact O-CG2 3.26Å; L57-V61 WeakPolarHBondContact O-CG2 3.08Å; L57-V61 PolarHBondContact O-N 2.78Å; C58-V61 PolarHBondContact O-N 2.91Å; V61-A64 PolarHBondContact O-N 3.42Å; V61-N65 VanDerWaalsContact O-CB 3.3Å; V61-N65 WeakPolarHBondContact O-CB 3.32Å; V61-N65 PolarHBondContact O-N 3.05Å; V61-N65 PolarHBondContact O-ND2 3.37Å |
| 62 | L | 97.7 | Very high | 94.3 | Very high | 106 Ų | 106 | 80.4 Ų | 80.4 | 56% | 0.555 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59.9 | -47.7 | 176.2 | -75.1 | 171.1 | 0 | 0 | 0 | 111.5 | C58 R59 N65 T66 | C58-L62 WeakPolarHBondContact O-CB 3.13Å; C58-L62 VanDerWaalsContact O-CG 3.27Å; C58-L62 WeakPolarHBondContact O-CG 3.27Å; C58-L62 PolarHBondContact O-N 3.28Å; R59-L62 PolarHBondContact O-N 3.44Å; L62-N65 PolarHBondContact O-N 3.35Å; L62-T66 PolarHBondContact O-N 2.93Å; L62-T66 PolarHBondContact O-OG1 3.34Å; L62-T66 VanDerWaalsContact O-OG1 3.07Å |
| 63 | I | 97 | Very high | 94.7 | Very high | 11 Ų | 11 | 78.5 Ų | 78.5 | 6% | 0.056 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 178.5 | -64.5 | 161.5 | 0 | 0 | 0 | 110.4 | S42 K45 L46 C49 R59 S60 N65 T66 V67 | S42-I63 WeakPolarHBondContact O-CG2 3.3Å; K45-I63 HydrophobicContact CB-CD1 3.92Å; K45-I63 HydrophobicContact CB-CG1 4.41Å; K45-I63 HydrophobicContact CB-CG2 4.34Å; L46-I63 HydrophobicContact CB-CG2 3.8Å; L46-I63 HydrophobicContact CD1-CB 4.34Å; L46-I63 HydrophobicContact CD1-CG2 4.1Å; L46-I63 HydrophobicContact CG-CG2 4.48Å; C49-I63 HydrophobicContact CB-CD1 4.49Å; R59-I63 HydrophobicContact CG-CD1 3.9Å; R59-I63 WeakPolarHBondContact O-CD1 3.32Å; R59-I63 VanDerWaalsContact O-CG1 3.23Å; R59-I63 WeakPolarHBondContact O-CG1 3.18Å; R59-I63 PolarHBondContact O-N 2.85Å; S60-I63 PolarHBondContact O-N 3.23Å; I63-N65 VanDerWaalsContact C-N 3.32Å; I63-N65 PolarHBondContact O-N 2.94Å; I63-T66 WeakPolarHBondContact O-CB 3.42Å; I63-T66 PolarHBondContact O-N 2.86Å; I63-V67 WeakPolarHBondContact O-CG2 3.43Å; I63-V67 PolarHBondContact O-N 3.33Å |
| 64 | A | 96.6 | Very high | 95 | Very high | 33 Ų | 33 | 71.4 Ų | 71.4 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S60 V61 V67 R68 | S60-A64 VanDerWaalsContact O-CB 3.27Å; S60-A64 WeakPolarHBondContact O-CB 3.37Å; S60-A64 PolarHBondContact O-N 3.03Å; V61-A64 PolarHBondContact O-N 3.42Å; A64-V67 PolarHBondContact O-N 2.92Å; A64-R68 PolarHBondContact O-N 3.35Å |
| 65 | N | 97.8 | Very high | 95.3 | Very high | 71 Ų | 71 | 66.1 Ų | 66.1 | 38% | 0.38 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67 | -39.6 | 175.5 | -72.7 | -13.1 | 0 | 0 | 0 | 111.6 | V61 L62 I63 R68 Q69 | V61-N65 VanDerWaalsContact O-CB 3.3Å; V61-N65 WeakPolarHBondContact O-CB 3.32Å; V61-N65 PolarHBondContact O-N 3.05Å; V61-N65 PolarHBondContact O-ND2 3.37Å; L62-N65 PolarHBondContact O-N 3.35Å; I63-N65 VanDerWaalsContact C-N 3.32Å; I63-N65 PolarHBondContact O-N 2.94Å; N65-R68 PolarHBondContact O-N 3.2Å; N65-R68 PolarHBondContact OD1-NH1 3.46Å; N65-Q69 WeakPolarHBondContact O-CB 3.27Å; N65-Q69 PolarHBondContact O-N 3.18Å |
| 66 | T | 97.9 | Very high | 95.8 | Very high | 61 Ų | 61 | 69.4 Ų | 69.4 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 172.4 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | L62 I63 Q69 I70 | L62-T66 PolarHBondContact O-N 2.93Å; L62-T66 PolarHBondContact O-OG1 3.34Å; L62-T66 VanDerWaalsContact O-OG1 3.07Å; I63-T66 WeakPolarHBondContact O-CB 3.42Å; I63-T66 PolarHBondContact O-N 2.86Å; T66-Q69 PolarHBondContact O-N 2.91Å; T66-I70 HydrophobicContact CG2-CD1 3.87Å; T66-I70 VanDerWaalsContact O-CG1 3.32Å; T66-I70 WeakPolarHBondContact O-CG1 3.41Å; T66-I70 PolarHBondContact O-N 3.37Å |
| 67 | V | 97.6 | Very high | 95.7 | Very high | 20 Ų | 20 | 69.5 Ų | 69.5 | 12% | 0.121 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.5 | -48.2 | 175.5 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | L39 L43 I63 A64 Q69 I70 Q71 | L39-V67 HydrophobicContact CD1-CB 4.46Å; L39-V67 HydrophobicContact CD1-CG1 3.88Å; L39-V67 HydrophobicContact CD1-CG2 4.41Å; L43-V67 HydrophobicContact CD2-CG1 4.23Å; L43-V67 HydrophobicContact CD2-CG2 4.29Å; I63-V67 WeakPolarHBondContact O-CG2 3.43Å; I63-V67 PolarHBondContact O-N 3.33Å; A64-V67 PolarHBondContact O-N 2.92Å; V67-Q69 PolarHBondContact O-N 3.4Å; V67-I70 PolarHBondContact O-N 3Å; V67-Q71 WeakPolarHBondContact O-CB 3.48Å; V67-Q71 PolarHBondContact O-N 3.18Å |
| 68 | R | 97.4 | Very high | 95.5 | Very high | 126 Ų | 126 | 64.4 Ų | 64.4 | 48% | 0.475 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 178.5 | -170.9 | -173.5 | -58.8 | 107 | 5.4 | 111.7 | A64 N65 I70 Q71 E72 | A64-R68 PolarHBondContact O-N 3.35Å; N65-R68 PolarHBondContact O-N 3.2Å; N65-R68 PolarHBondContact OD1-NH1 3.46Å; R68-I70 PolarHBondContact O-N 2.93Å; R68-Q71 PolarHBondContact O-N 3.42Å; R68-E72 WeakPolarHBondContact CD-OE1 3.44Å; R68-E72 HydrophobicContact CG-CG 4.42Å; R68-E72 VanDerWaalsContact CG-OE1 3.27Å; R68-E72 WeakPolarHBondContact CG-OE1 3.3Å; R68-E72 WeakPolarHBondContact O-CB 3.38Å; R68-E72 WeakPolarHBondContact O-CG 3.36Å; R68-E72 PolarHBondContact O-N 3.29Å |
| 69 | Q | 97.8 | Very high | 95.2 | Very high | 96 Ų | 96 | 62.2 Ų | 62.2 | 45% | 0.449 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.8 | -49.1 | 178.9 | -178.7 | 63 | 40.3 | 0 | 0 | 111.4 | N65 T66 V67 Q71 E72 E73 | N65-Q69 WeakPolarHBondContact O-CB 3.27Å; N65-Q69 PolarHBondContact O-N 3.18Å; T66-Q69 PolarHBondContact O-N 2.91Å; V67-Q69 PolarHBondContact O-N 3.4Å; Q69-Q71 VanDerWaalsContact C-N 3.32Å; Q69-Q71 PolarHBondContact O-N 2.97Å; Q69-E72 PolarHBondContact O-N 3.4Å; Q69-E73 WeakPolarHBondContact O-CG 3.32Å; Q69-E73 PolarHBondContact O-N 3.13Å |
| 70 | I | 96.6 | Very high | 95 | Very high | 11 Ų | 11 | 60.3 Ų | 60.3 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 179.4 | -66.5 | 167.4 | 0 | 0 | 0 | 110.4 | R35 L38 L39 T66 V67 R68 E73 M74 | R35-I70 HydrophobicContact CB-CG2 4.05Å; L38-I70 HydrophobicContact CB-CD1 3.84Å; L39-I70 HydrophobicContact CB-CG2 4.13Å; T66-I70 HydrophobicContact CG2-CD1 3.87Å; T66-I70 VanDerWaalsContact O-CG1 3.32Å; T66-I70 WeakPolarHBondContact O-CG1 3.41Å; T66-I70 PolarHBondContact O-N 3.37Å; V67-I70 PolarHBondContact O-N 3Å; R68-I70 PolarHBondContact O-N 2.93Å; I70-E73 PolarHBondContact O-N 3.35Å; I70-M74 HydrophobicContact CG2-CG 4.23Å; I70-M74 HydrophobicContact CG2-SD 3.76Å; I70-M74 WeakPolarHBondContact O-CB 3.26Å; I70-M74 VanDerWaalsContact O-CG 3.25Å; I70-M74 WeakPolarHBondContact O-CG 3.41Å; I70-M74 PolarHBondContact O-N 3.08Å |
| 71 | Q | 95.6 | Very high | 94.8 | Very high | 72 Ų | 72 | 63.9 Ų | 63.9 | 34% | 0.336 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 177.8 | -170.9 | 177.8 | 3.6 | 0 | 0 | 111.9 | V67 R68 Q69 M74 T75 W80 | V67-Q71 WeakPolarHBondContact O-CB 3.48Å; V67-Q71 PolarHBondContact O-N 3.18Å; R68-Q71 PolarHBondContact O-N 3.42Å; Q69-Q71 VanDerWaalsContact C-N 3.32Å; Q69-Q71 PolarHBondContact O-N 2.97Å; Q71-M74 PolarHBondContact O-N 2.97Å; Q71-T75 VanDerWaalsContact O-CB 3.29Å; Q71-T75 WeakPolarHBondContact O-CB 3.45Å; Q71-T75 PolarHBondContact O-N 3.49Å; Q71-T75 PolarHBondContact O-OG1 2.86Å; Q71-W80 HydrophobicContact CG-CD2 3.87Å; Q71-W80 HydrophobicContact CG-CE3 3.97Å; Q71-W80 HydrophobicContact CG-CH2 3.99Å; Q71-W80 HydrophobicContact CG-CZ2 3.9Å; Q71-W80 HydrophobicContact CG-CZ3 4.02Å |
| 72 | E | 95.9 | Very high | 94.4 | Very high | 90 Ų | 90 | 66.5 Ų | 66.5 | 42% | 0.421 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 174.5 | -76.7 | 170.7 | -164.9 | 0 | 0 | 111.2 | R68 Q69 M74 T75 Q76 | R68-E72 WeakPolarHBondContact CD-OE1 3.44Å; R68-E72 HydrophobicContact CG-CG 4.42Å; R68-E72 VanDerWaalsContact CG-OE1 3.27Å; R68-E72 WeakPolarHBondContact CG-OE1 3.3Å; R68-E72 WeakPolarHBondContact O-CB 3.38Å; R68-E72 WeakPolarHBondContact O-CG 3.36Å; R68-E72 PolarHBondContact O-N 3.29Å; Q69-E72 PolarHBondContact O-N 3.4Å; E72-M74 PolarHBondContact O-N 2.91Å; E72-T75 PolarHBondContact O-N 2.84Å; E72-Q76 VanDerWaalsContact O-CG 3.32Å; E72-Q76 WeakPolarHBondContact O-CG 3.41Å; E72-Q76 PolarHBondContact O-N 3Å; E72-Q76 PolarHBondContact O-NE2 3.43Å |
| 73 | E | 95.4 | Very high | 93.8 | Very high | 54 Ų | 54 | 63.8 Ų | 63.8 | 25% | 0.252 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 176.4 | -73.2 | -176.9 | 105.6 | 0 | 0 | 112.1 | Y31 R35 Q69 I70 T75 Q76 D77 | Y31-E73 PolarHBondContact OH-OE1 3.28Å; R35-E73 PolarHBondContact NH1-O 2.96Å; Q69-E73 WeakPolarHBondContact O-CG 3.32Å; Q69-E73 PolarHBondContact O-N 3.13Å; I70-E73 PolarHBondContact O-N 3.35Å; E73-T75 VanDerWaalsContact C-N 3.3Å; E73-T75 PolarHBondContact O-N 3.06Å; E73-Q76 PolarHBondContact O-N 2.88Å; E73-D77 PolarHBondContact O-N 3.26Å |
| 74 | M | 93.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.9 | -30 | 177.3 | -72 | 178.8 | 71.4 | 0 | 0 | 112.8 | R35 L39 I70 Q71 E72 G78 T79 W80 M83 | R35-M74 HydrophobicContact CB-CG 4.44Å; R35-M74 HydrophobicContact CB-SD 4.42Å; L39-M74 HydrophobicContact CD2-SD 4.37Å; I70-M74 HydrophobicContact CG2-CG 4.23Å; I70-M74 HydrophobicContact CG2-SD 3.76Å; I70-M74 WeakPolarHBondContact O-CB 3.26Å; I70-M74 VanDerWaalsContact O-CG 3.25Å; I70-M74 WeakPolarHBondContact O-CG 3.41Å; I70-M74 PolarHBondContact O-N 3.08Å; Q71-M74 PolarHBondContact O-N 2.97Å; E72-M74 PolarHBondContact O-N 2.91Å; M74-G78 PolarHBondContact O-N 2.99Å; M74-T79 WeakPolarHBondContact CA-OG1 3.27Å; M74-T79 PolarHBondContact O-N 2.85Å; M74-T79 VanDerWaalsContact O-N 3.08Å; M74-T79 PolarHBondContact O-OG1 3.11Å; M74-W80 HydrophobicContact CB-CB 3.91Å; M74-W80 HydrophobicContact CB-CE3 4.44Å; M74-W80 HydrophobicContact CE-CE3 4.33Å; M74-W80 PolarHBondContact O-N 3Å; M74-W80 HydrophobicContact SD-CE3 4.41Å; M74-M83 HydrophobicContact CE-CE 3.4Å; M74-M83 VanDerWaalsContact CE-CE 3.4Å; M74-M83 HydrophobicContact CE-SD 3.79Å |
| 75 | T | 93.6 | Very high | 92.8 | Very high | 58 Ų | 58 | 71.9 Ų | 71.9 | 36% | 0.356 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.7 | -38.9 | 175.5 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | Q71 E72 E73 D77 G78 | Q71-T75 VanDerWaalsContact O-CB 3.29Å; Q71-T75 WeakPolarHBondContact O-CB 3.45Å; Q71-T75 PolarHBondContact O-N 3.49Å; Q71-T75 PolarHBondContact O-OG1 2.86Å; E72-T75 PolarHBondContact O-N 2.84Å; E73-T75 VanDerWaalsContact C-N 3.3Å; E73-T75 PolarHBondContact O-N 3.06Å; T75-D77 VanDerWaalsContact C-N 3.29Å; T75-D77 PolarHBondContact O-N 2.89Å; T75-G78 PolarHBondContact O-N 3.45Å |
| 76 | Q | 92.5 | Very high | 92.1 | Very high | 150 Ų | 150 | 71.2 Ų | 71.2 | 70% | 0.701 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60 | -39.2 | 175.9 | -74 | 173.4 | 56.6 | 0 | 0 | 112 | E72 E73 G78 | E72-Q76 VanDerWaalsContact O-CG 3.32Å; E72-Q76 WeakPolarHBondContact O-CG 3.41Å; E72-Q76 PolarHBondContact O-N 3Å; E72-Q76 PolarHBondContact O-NE2 3.43Å; E73-Q76 PolarHBondContact O-N 2.88Å; Q76-G78 VanDerWaalsContact C-N 3.34Å |
| 77 | D | 90.5 | Very high | 91.1 | Very high | 92 Ų | 92 | 72.6 Ų | 72.6 | 49% | 0.492 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -0.5 | 179.5 | -61.5 | -30 | 0 | 0 | 0 | 113.8 | R35 E73 T75 T79 | R35-D77 IonicContact CZ-OD2 2.72Å; R35-D77 VanDerWaalsContact CZ-OD2 3.22Å; R35-D77 IonicContact NH1-OD2 3.62Å; R35-D77 PolarHBondContact NH1-OD2 2.95Å; R35-D77 IonicContact NH2-OD2 2.78Å; R35-D77 PolarHBondContact NH2-OD2 3.39Å; E73-D77 PolarHBondContact O-N 3.26Å; T75-D77 VanDerWaalsContact C-N 3.29Å; T75-D77 PolarHBondContact O-N 2.89Å; D77-T79 HydrophobicContact CB-CG2 4.11Å; D77-T79 PolarHBondContact O-N 2.97Å; D77-T79 VanDerWaalsContact O-N 3.11Å |
| 78 | G | 89.3 | Confident | 90.2 | Very high | 26 Ų | 26 | 75.3 Ų | 75.3 | 27% | 0.268 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | -5.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | M74 T75 Q76 W80 Q81 I82 | M74-G78 PolarHBondContact O-N 2.99Å; T75-G78 PolarHBondContact O-N 3.45Å; Q76-G78 VanDerWaalsContact C-N 3.34Å; G78-W80 VanDerWaalsContact C-N 3.27Å; G78-W80 PolarHBondContact O-N 3.07Å; G78-Q81 VanDerWaalsContact C-OE1 3.27Å; G78-Q81 VanDerWaalsContact CA-OE1 3.25Å; G78-Q81 PolarHBondContact O-N 2.7Å; G78-Q81 PolarHBondContact O-OE1 2.92Å; G78-I82 PolarHBondContact O-N 3.38Å |
| 79 | T | 89.6 | Confident | 89.2 | Confident | 38 Ų | 38 | 73.7 Ų | 73.7 | 23% | 0.233 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.2 | -30.9 | -179.5 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | M74 D77 M83 | M74-T79 WeakPolarHBondContact CA-OG1 3.27Å; M74-T79 PolarHBondContact O-N 2.85Å; M74-T79 VanDerWaalsContact O-N 3.08Å; M74-T79 PolarHBondContact O-OG1 3.11Å; D77-T79 HydrophobicContact CB-CG2 4.11Å; D77-T79 PolarHBondContact O-N 2.97Å; D77-T79 VanDerWaalsContact O-N 3.11Å; T79-M83 WeakPolarHBondContact O-CB 3.23Å; T79-M83 PolarHBondContact O-N 3Å; T79-M83 VanDerWaalsContact O-N 3.09Å |
| 80 | W | 90.1 | Very high | 87.8 | Confident | 65 Ų | 65 | 73.1 Ų | 73.1 | 25% | 0.246 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 177.7 | 179.4 | -105.6 | 0 | 0 | 0 | 112.6 | L39 Q71 M74 G78 M83 T84 | L39-W80 HydrophobicContact CD2-CZ3 3.75Å; Q71-W80 HydrophobicContact CG-CD2 3.87Å; Q71-W80 HydrophobicContact CG-CE3 3.97Å; Q71-W80 HydrophobicContact CG-CH2 3.99Å; Q71-W80 HydrophobicContact CG-CZ2 3.9Å; Q71-W80 HydrophobicContact CG-CZ3 4.02Å; M74-W80 HydrophobicContact CB-CB 3.91Å; M74-W80 HydrophobicContact CB-CE3 4.44Å; M74-W80 HydrophobicContact CE-CE3 4.33Å; M74-W80 PolarHBondContact O-N 3Å; M74-W80 HydrophobicContact SD-CE3 4.41Å; G78-W80 VanDerWaalsContact C-N 3.27Å; G78-W80 PolarHBondContact O-N 3.07Å; W80-M83 PolarHBondContact O-N 3.38Å; W80-T84 WeakPolarHBondContact O-CB 3.47Å; W80-T84 PolarHBondContact O-N 3.38Å; W80-T84 PolarHBondContact O-OG1 2.92Å |
| 81 | Q | 91.6 | Very high | 86.2 | Confident | 92 Ų | 92 | 76.9 Ų | 76.9 | 43% | 0.43 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.8 | -43.8 | -178.5 | -67.2 | 82 | -11.1 | 0 | 0 | 110.7 | G78 M83 T84 Q85 | G78-Q81 VanDerWaalsContact C-OE1 3.27Å; G78-Q81 VanDerWaalsContact CA-OE1 3.25Å; G78-Q81 PolarHBondContact O-N 2.7Å; G78-Q81 PolarHBondContact O-OE1 2.92Å; Q81-M83 VanDerWaalsContact C-N 3.31Å; Q81-M83 PolarHBondContact O-N 3.29Å; Q81-T84 PolarHBondContact O-N 3.25Å; Q81-Q85 VanDerWaalsContact O-CB 3.24Å; Q81-Q85 WeakPolarHBondContact O-CB 3.5Å; Q81-Q85 PolarHBondContact O-N 3.07Å |
| 82 | I | 88.9 | Confident | 84 | Confident | 123 Ų | 123 | 78.1 Ų | 78.1 | 63% | 0.631 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -59.4 | -46 | 177.6 | -63.2 | 166.2 | 0 | 0 | 0 | 110.2 | G78 A86 | G78-I82 PolarHBondContact O-N 3.38Å; I82-A86 WeakPolarHBondContact O-CB 3.14Å; I82-A86 PolarHBondContact O-N 2.94Å |
| 83 | M | 84.8 | Confident | 82 | Confident | 49 Ų | 49 | 79 Ų | 79 | 24% | 0.241 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -64.7 | -48.6 | 178 | 177.3 | 177.4 | -62.8 | 0 | 0 | 112.8 | Q36 M74 T79 W80 Q81 Q85 A86 L87 | Q36-M83 HydrophobicContact CB-CE 4.31Å; Q36-M83 VanDerWaalsContact CD-CE 3.49Å; Q36-M83 HydrophobicContact CG-CE 3.94Å; Q36-M83 PolarHBondContact OE1-SD 3.44Å; M74-M83 HydrophobicContact CE-CE 3.4Å; M74-M83 VanDerWaalsContact CE-CE 3.4Å; M74-M83 HydrophobicContact CE-SD 3.79Å; T79-M83 WeakPolarHBondContact O-CB 3.23Å; T79-M83 PolarHBondContact O-N 3Å; T79-M83 VanDerWaalsContact O-N 3.09Å; W80-M83 PolarHBondContact O-N 3.38Å; Q81-M83 VanDerWaalsContact C-N 3.31Å; Q81-M83 PolarHBondContact O-N 3.29Å; M83-Q85 VanDerWaalsContact C-N 3.25Å; M83-Q85 PolarHBondContact O-N 3.43Å; M83-A86 PolarHBondContact O-N 3.42Å; M83-L87 HydrophobicContact CG-CD1 4.05Å; M83-L87 WeakPolarHBondContact O-CD1 3.43Å; M83-L87 PolarHBondContact O-N 3.17Å |
| 84 | T | 85.5 | Confident | 79.8 | Confident | 64 Ų | 64 | 80.1 Ų | 80.1 | 39% | 0.393 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.2 | -38.1 | -179.5 | -54 | 0 | 0 | 0 | 0 | 110.6 | W80 Q81 L87 A88 | W80-T84 WeakPolarHBondContact O-CB 3.47Å; W80-T84 PolarHBondContact O-N 3.38Å; W80-T84 PolarHBondContact O-OG1 2.92Å; Q81-T84 PolarHBondContact O-N 3.25Å; T84-L87 PolarHBondContact O-N 2.94Å; T84-A88 VanDerWaalsContact O-CB 3.32Å; T84-A88 WeakPolarHBondContact O-CB 3.22Å; T84-A88 PolarHBondContact O-N 3.16Å |
| 85 | Q | 86.3 | Confident | 77.9 | Confident | 149 Ų | 149 | 85.5 Ų | 85.5 | 70% | 0.696 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.8 | -39.6 | 176.1 | -172.1 | 155 | 49.5 | 0 | 0 | 112.5 | Q81 M83 A88 A89 | Q81-Q85 VanDerWaalsContact O-CB 3.24Å; Q81-Q85 WeakPolarHBondContact O-CB 3.5Å; Q81-Q85 PolarHBondContact O-N 3.07Å; M83-Q85 VanDerWaalsContact C-N 3.25Å; M83-Q85 PolarHBondContact O-N 3.43Å; Q85-A88 PolarHBondContact O-N 3.48Å; Q85-A89 WeakPolarHBondContact O-CB 3.39Å; Q85-A89 PolarHBondContact O-N 3.31Å |
| 86 | A | 82.6 | Confident | 75.9 | Confident | 57 Ų | 57 | 91.2 Ų | 91.2 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I82 M83 A89 A90 | I82-A86 WeakPolarHBondContact O-CB 3.14Å; I82-A86 PolarHBondContact O-N 2.94Å; M83-A86 PolarHBondContact O-N 3.42Å; A86-A89 PolarHBondContact O-N 2.85Å; A86-A90 VanDerWaalsContact O-CB 3.3Å; A86-A90 WeakPolarHBondContact O-CB 3.48Å; A86-A90 PolarHBondContact O-N 3.18Å; A86-A90 VanDerWaalsContact O-N 3.11Å |
| 87 | L | 77.3 | Confident | 73.9 | Confident | 90 Ų | 90 | 88.9 Ų | 88.9 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 173.5 | -101.9 | 79.6 | 0 | 0 | 0 | 111.8 | M83 T84 A89 A90 Q91 | M83-L87 HydrophobicContact CG-CD1 4.05Å; M83-L87 WeakPolarHBondContact O-CD1 3.43Å; M83-L87 PolarHBondContact O-N 3.17Å; T84-L87 PolarHBondContact O-N 2.94Å; L87-A89 VanDerWaalsContact C-N 3.27Å; L87-A89 PolarHBondContact O-N 3.33Å; L87-A90 PolarHBondContact O-N 3.29Å; L87-A90 VanDerWaalsContact O-N 3.1Å; L87-Q91 WeakPolarHBondContact O-CG 3.44Å; L87-Q91 PolarHBondContact O-N 3Å; L87-Q91 VanDerWaalsContact O-N 3.11Å |
| 88 | A | 78.5 | Confident | 72.2 | Confident | 77 Ų | 77 | 89.2 Ų | 89.2 | 64% | 0.636 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.8 | -34.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T84 Q85 A90 | T84-A88 VanDerWaalsContact O-CB 3.32Å; T84-A88 WeakPolarHBondContact O-CB 3.22Å; T84-A88 PolarHBondContact O-N 3.16Å; Q85-A88 PolarHBondContact O-N 3.48Å; A88-A90 VanDerWaalsContact C-N 3.35Å |
| 89 | A | 76.2 | Confident | 70.4 | Confident | 92 Ų | 92 | 91.5 Ų | 91.5 | 76% | 0.76 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -75.9 | -22.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q85 A86 L87 | Q85-A89 WeakPolarHBondContact O-CB 3.39Å; Q85-A89 PolarHBondContact O-N 3.31Å; A86-A89 PolarHBondContact O-N 2.85Å; L87-A89 VanDerWaalsContact C-N 3.27Å; L87-A89 PolarHBondContact O-N 3.33Å |
| 90 | A | 68.1 | Low | 68.5 | Low | 85 Ų | 85 | 93.3 Ų | 93.3 | 70% | 0.702 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -96.3 | -15.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A86 L87 A88 | A86-A90 VanDerWaalsContact O-CB 3.3Å; A86-A90 WeakPolarHBondContact O-CB 3.48Å; A86-A90 PolarHBondContact O-N 3.18Å; A86-A90 VanDerWaalsContact O-N 3.11Å; L87-A90 PolarHBondContact O-N 3.29Å; L87-A90 VanDerWaalsContact O-N 3.1Å; A88-A90 VanDerWaalsContact C-N 3.35Å |
| 91 | Q | 64.3 | Low | 66.5 | Low | 90 Ų | 90 | 95 Ų | 95 | 42% | 0.421 | 56% | 0.563 | S | S | . | * | trans | -93 | 133.5 | -171.6 | -74.4 | -177 | 18.3 | 0 | 0 | 114.6 | L87 | L87-Q91 WeakPolarHBondContact O-CG 3.44Å; L87-Q91 PolarHBondContact O-N 3Å; L87-Q91 VanDerWaalsContact O-N 3.11Å | ||
| 92 | C | 49.9 | Very low | 64.7 | Low | 97 Ų | 97 | 95.7 Ų | 95.7 | 66% | 0.655 | 57% | 0.573 | S | S | * | * | trans | -81.9 | 143.6 | 165.1 | -155 | 0 | 0 | 0 | 0 | 108.7 | A94 D95 | C92-A94 PolarHBondContact O-N 3.02Å; C92-D95 PolarHBondContact O-N 3.42Å | ||
| 93 | P | 52.8 | Low | 62.8 | Low | 109 Ų | 109 | 96.6 Ų | 96.6 | 71% | 0.708 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -4.4 | -163.8 | 20.7 | -33.8 | 0 | 0 | 0 | 117.7 | ||
| 94 | A | 50.4 | Low | 61 | Low | 77 Ų | 77 | 99 Ų | 99 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -29.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | C92 R96 | C92-A94 PolarHBondContact O-N 3.02Å; A94-R96 VanDerWaalsContact C-N 3.26Å; A94-R96 PolarHBondContact O-N 3.03Å |
| 95 | D | 52.4 | Low | 59 | Low | 115 Ų | 115 | 106.5 Ų | 106.5 | 62% | 0.615 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -5.5 | -179.8 | -75.7 | -31.4 | 0 | 0 | 0 | 113.4 | C92 L97 | C92-D95 PolarHBondContact O-N 3.42Å; D95-L97 VanDerWaalsContact C-N 3.3Å; D95-L97 PolarHBondContact O-N 3.47Å |
| 96 | R | 52.9 | Low | 57.1 | Low | 179 Ų | 179 | 107.6 Ų | 107.6 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.8 | -24.4 | -175.4 | -163.5 | 177.7 | 167.9 | -167.8 | -3.9 | 113.4 | A94 T100 | A94-R96 VanDerWaalsContact C-N 3.26Å; A94-R96 PolarHBondContact O-N 3.03Å; R96-T100 PolarHBondContact O-OG1 2.94Å |
| 97 | L | 50.1 | Low | 55 | Low | 100 Ų | 100 | 111 Ų | 111 | 52% | 0.524 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -75.7 | -26.8 | -173.1 | -64.3 | 144.6 | 0 | 0 | 0 | 112.7 | D95 E101 | D95-L97 VanDerWaalsContact C-N 3.3Å; D95-L97 PolarHBondContact O-N 3.47Å; L97-E101 WeakPolarHBondContact CA-OE1 3.44Å; L97-E101 WeakPolarHBondContact CB-OE1 3.47Å; L97-E101 WeakPolarHBondContact CD2-OE1 3.3Å; L97-E101 WeakPolarHBondContact CG-OE1 3.39Å; L97-E101 WeakPolarHBondContact O-CB 3.41Å; L97-E101 WeakPolarHBondContact O-CG 3.34Å |
| 98 | V | 53.7 | Low | 53.3 | Low | 100 Ų | 100 | 115.1 Ų | 115.1 | 61% | 0.606 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -86.4 | -29.9 | -174.4 | -174.5 | 0 | 0 | 0 | 0 | 113 | ||
| 99 | A | 51.5 | Low | 51.2 | Low | 73 Ų | 73 | 116.9 Ų | 116.9 | 60% | 0.603 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -88.1 | -22.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 100 | T | 51 | Low | 49.6 | Very low | 77 Ų | 77 | 115.7 Ų | 115.7 | 47% | 0.472 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -111.1 | -18.3 | -176 | 48.7 | 0 | 0 | 0 | 0 | 114.5 | R96 C104 | R96-T100 PolarHBondContact O-OG1 2.94Å; T100-C104 PolarHBondContact O-N 3.22Å; T100-C104 PolarHBondContact O-SG 3.41Å; T100-C104 VanDerWaalsContact O-SG 3.36Å |
| 101 | E | 47.9 | Very low | 48.1 | Very low | 100 Ų | 100 | 119.8 Ų | 119.8 | 47% | 0.467 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -80.8 | -29.2 | -173.8 | -65.8 | -179.4 | -171.5 | 0 | 0 | 113.7 | L97 L103 | L97-E101 WeakPolarHBondContact CA-OE1 3.44Å; L97-E101 WeakPolarHBondContact CB-OE1 3.47Å; L97-E101 WeakPolarHBondContact CD2-OE1 3.3Å; L97-E101 WeakPolarHBondContact CG-OE1 3.39Å; L97-E101 WeakPolarHBondContact O-CB 3.41Å; L97-E101 WeakPolarHBondContact O-CG 3.34Å; E101-L103 PolarHBondContact O-N 3.42Å |
| 102 | V | 53.3 | Low | 46.6 | Very low | 106 Ų | 106 | 120.3 Ų | 120.3 | 64% | 0.642 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -67.4 | -27.8 | 178.5 | -176.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 103 | L | 49.7 | Very low | 46 | Very low | 143 Ų | 143 | 121.7 Ų | 121.7 | 75% | 0.749 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -92.1 | -27.1 | -179.6 | -69 | 169 | 0 | 0 | 0 | 113.6 | E101 | E101-L103 PolarHBondContact O-N 3.42Å |
| 104 | C | 46.2 | Very low | 44.9 | Very low | 98 Ų | 98 | 125 Ų | 125 | 66% | 0.662 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -87.3 | -10.6 | -174.6 | -67.9 | 0 | 0 | 0 | 0 | 115 | T100 Q106 | T100-C104 PolarHBondContact O-N 3.22Å; T100-C104 PolarHBondContact O-SG 3.41Å; T100-C104 VanDerWaalsContact O-SG 3.36Å; C104-Q106 PolarHBondContact O-N 3.21Å |
| 105 | R | 43.5 | Very low | 44.4 | Very low | 223 Ų | 223 | 127 Ų | 127 | 84% | 0.842 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -81.4 | -4 | -179.6 | -99.9 | -166.4 | 155.7 | -102.9 | -4.5 | 115.9 | T107 | R105-T107 PolarHBondContact O-N 3.31Š|
| 106 | Q | 45.7 | Very low | 43.3 | Very low | 172 Ų | 172 | 131.3 Ų | 131.3 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -83.7 | 0.9 | -175.8 | -168.2 | 53.5 | 30.2 | 0 | 0 | 115.1 | C104 | C104-Q106 PolarHBondContact O-N 3.21Š|
| 107 | T | 39.2 | Very low | 42.4 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -136.6 | 21.9 | -175.9 | 30 | 0 | 0 | 0 | 0 | 116.9 | R105 | R105-T107 PolarHBondContact O-N 3.31Š|
| 108 | Q | 40.9 | Very low | 41.6 | Very low | 176 Ų | 176 | 129.6 Ų | 129.6 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | -124.9 | 64 | 162.1 | -86 | -162.4 | 0.9 | 0 | 0 | 112.2 | ||||
| 109 | A | 35.5 | Very low | 40.5 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 94% | 0.942 | 75% | 0.748 | S | S | * | * | trans | -108.9 | 68.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 110 | G | 42.3 | Very low | 39.7 | Very low | 68 Ų | 68 | 130.4 Ų | 130.4 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -156.4 | 38 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 111 | Q | 36.4 | Very low | 39 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -140.2 | 106.1 | 163.4 | -68.2 | -169.1 | 32.1 | 0 | 0 | 109.1 | ||||
| 112 | S | 33.3 | Very low | 38.3 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -53.4 | 133.2 | 167.7 | 55.1 | 0 | 0 | 0 | 0 | 111.1 | K114 | S112-K114 PolarHBondContact O-N 2.96Š| ||
| 113 | P | 36.4 | Very low | 37.4 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -75.8 | 112.8 | 161.2 | 24.4 | -17.8 | 0 | 0 | 0 | 108.2 | ||||
| 114 | K | 30.9 | Very low | 36.4 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 128.9 | 165 | -100.3 | 168.6 | 176.1 | 163.6 | 0 | 108.4 | S112 F116 | S112-K114 PolarHBondContact O-N 2.96Å; K114-F116 PolarHBondContact O-N 3.39Å |
| 115 | P | 39 | Very low | 35.8 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 123.4 | 174.2 | 30.2 | -30.9 | 0 | 0 | 0 | 108.9 | ||
| 116 | F | 30.4 | Very low | 35.2 | Very low | 206 Ų | 206 | 140.3 Ų | 140.3 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 119.1 | 163.4 | -90.2 | -84.8 | 0 | 0 | 0 | 108.7 | K114 | K114-F116 PolarHBondContact O-N 3.39Š|
| 117 | S | 33.2 | Very low | 34.5 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 132.1 | 173.8 | -68.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 118 | V | 33.2 | Very low | 34.4 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 26.5 | 122.2 | 136.4 | 173.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 119 | S | 31.8 | Very low | 34.1 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | -168.7 | 130.2 | 125.9 | -100.1 | 0 | 0 | 0 | 0 | 105.9 | |||||
| 120 | G | 33.2 | Very low | 34.1 | Very low | 67 Ų | 67 | 139.3 Ų | 139.3 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | cis | 121.8 | 98.4 | 20.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 121 | L | 37.8 | Very low | 33.9 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -173.8 | 104.6 | 154.3 | -128.2 | 76.1 | 0 | 0 | 0 | 106.1 | ||||
| 122 | E | 33.3 | Very low | 34 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | 52.3 | 120.3 | 104.1 | -69.3 | -77.2 | 167.5 | 0 | 0 | 111.1 | |||||
| 123 | E | 32.7 | Very low | 34.1 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | 177.7 | 124.4 | 56.2 | -149.8 | 162.1 | -174.4 | 0 | 0 | 104 | |||||
| 124 | G | 30.5 | Very low | 34 | Very low | 57 Ų | 57 | 141.1 Ų | 141.1 | 59% | 0.588 | 78% | 0.783 | S | S | * | * | 120 | 124.5 | 94.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 125 | Y | 32.7 | Very low | 34.1 | Very low | 219 Ų | 219 | 140 Ų | 140 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | 55.9 | 110.6 | 146.5 | -45.9 | -80.2 | 0 | 0 | 0 | 120 | ||||
| 126 | H | 29.9 | Very low | 34.2 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | 64.5 | 107.2 | 84.6 | -163.6 | 69.9 | 0 | 0 | 0 | 115.3 | |||||
| 127 | S | 31.4 | Very low | 34.3 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | 164.5 | 144.4 | 108.5 | -158.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 128 | E | 37.8 | Very low | 34.7 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -60 | 148.6 | 167.4 | -67.9 | 172.9 | 93.7 | 0 | 0 | 111.9 | ||||
| 129 | E | 33.6 | Very low | 34.8 | Very low | 195 Ų | 195 | 138.3 Ų | 138.3 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | trans | -141 | 134.1 | 143.4 | -96.8 | -159 | 142 | 0 | 0 | 111.9 | ||||
| 130 | V | 35.8 | Very low | 35.1 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 67% | 0.667 | 77% | 0.774 | S | S | * | * | trans | -95.6 | 134.9 | 178.9 | -175.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 131 | V | 39.1 | Very low | 35.2 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -134.3 | 121.2 | 157.9 | 177.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 132 | M | 37.1 | Very low | 35 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | trans | -92.7 | 148.4 | 173.8 | -81.3 | -117.4 | 66.5 | 0 | 0 | 111.7 | ||||
| 133 | D | 35.4 | Very low | 35.2 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | trans | 67.5 | 135.7 | 144.4 | -85 | -55.3 | 0 | 0 | 0 | 123.1 | ||||
| 134 | G | 35.7 | Very low | 35.6 | Very low | 78 Ų | 78 | 134.8 Ų | 134.8 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -177.4 | 104.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 135 | D | 32.1 | Very low | 36.1 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -78.5 | 161.2 | -167.6 | -163.1 | 7.6 | 0 | 0 | 0 | 115.6 | ||||
| 136 | A | 41.1 | Very low | 36.4 | Very low | 66 Ų | 66 | 134.8 Ų | 134.8 | 55% | 0.545 | 78% | 0.782 | S | S | . | * | trans | 65.2 | 120.7 | 152.4 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 137 | E | 33.9 | Very low | 37.1 | Very low | 188 Ų | 188 | 132.2 Ų | 132.2 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | 150.6 | 124.5 | 115.6 | -73.5 | -69.1 | 100.5 | 0 | 0 | 110.2 | |||||
| 138 | A | 40.3 | Very low | 37.3 | Very low | 87 Ų | 87 | 133.9 Ų | 133.9 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | trans | -85.9 | 132.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 139 | E | 36.3 | Very low | 37.2 | Very low | 189 Ų | 189 | 131 Ų | 131 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -155.3 | 146.9 | 153.6 | -86.6 | -51.4 | 141 | 0 | 0 | 110.5 | ||||
| 140 | V | 38.5 | Very low | 37.7 | Very low | 137 Ų | 137 | 127.9 Ų | 127.9 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | trans | -90.3 | 134.4 | -164.3 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 141 | A | 33.9 | Very low | 37.9 | Very low | 86 Ų | 86 | 130.6 Ų | 130.6 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 170.3 | 143.3 | 136.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 142 | M | 33.8 | Very low | 37.6 | Very low | 177 Ų | 177 | 131.1 Ų | 131.1 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | 70.2 | 112 | 150.9 | -99.9 | -168.3 | -78.2 | 0 | 0 | 120.5 | ||||
| 143 | S | 36.5 | Very low | 37.4 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | 172.3 | 126.2 | 97.2 | -74.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 144 | S | 42.9 | Very low | 37.6 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -75.8 | 129.4 | 162.4 | 64.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 145 | L | 39.9 | Very low | 37.4 | Very low | 165 Ų | 165 | 129.8 Ų | 129.8 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -139.8 | 107.2 | 161.4 | -70.3 | 176.9 | 0 | 0 | 0 | 110 | ||||
| 146 | S | 38.8 | Very low | 37.7 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -73 | 140.2 | 158.6 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | ||
| 147 | P | 46 | Very low | 37.6 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 120.9 | 165.9 | 26.4 | -14.2 | 0 | 0 | 0 | 111.4 | ||
| 148 | V | 33.7 | Very low | 37.9 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 145.8 | 167.9 | 58.6 | 0 | 0 | 0 | 0 | 112 | ||
| 149 | S | 36.5 | Very low | 37.6 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 157.8 | 169.6 | -47.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 150 | P | 44.7 | Very low | 37.4 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | trans | -112.5 | 132.4 | 147.2 | 16.3 | 2.6 | 0 | 0 | 0 | 111.5 | ||||
| 151 | Q | 38.8 | Very low | 38.1 | Very low | 168 Ų | 168 | 126.3 Ų | 126.3 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -106 | 164.8 | 170.6 | -100.8 | -82.7 | 25.2 | 0 | 0 | 109.4 | ||||
| 152 | L | 34.2 | Very low | 38.2 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | 85.5 | 135.6 | 169.5 | -54.9 | 161 | 0 | 0 | 0 | 115 | ||||
| 153 | S | 33.1 | Very low | 38.2 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | cis | -158.8 | 144.1 | 36.4 | -112.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 154 | S | 38.1 | Very low | 38.5 | Very low | 124 Ų | 124 | 132 Ų | 132 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | trans | -86.6 | 145.7 | 164.3 | -46.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 155 | A | 32.4 | Very low | 38.3 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -141.8 | 124.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 156 | S | 38 | Very low | 38.8 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -118.6 | 133.8 | 171.1 | 168.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 157 | Y | 38.4 | Very low | 38.4 | Very low | 200 Ų | 200 | 127.8 Ų | 127.8 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | -167.6 | 136 | 151.2 | 55.9 | -96.8 | 0 | 0 | 0 | 114.2 | ||||
| 158 | L | 41.4 | Very low | 38 | Very low | 158 Ų | 158 | 128.1 Ų | 128.1 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | 74.8 | 103.8 | 146.6 | -63.3 | 172.3 | 0 | 0 | 0 | 123.6 | ||||
| 159 | A | 33.3 | Very low | 37.8 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | 48.6 | 103.3 | 110.7 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 160 | G | 31.7 | Very low | 37.7 | Very low | 75 Ų | 75 | 133.4 Ų | 133.4 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | 65.3 | 171 | 135.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 161 | P | 54.8 | Low | 36.9 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 68% | 0.682 | 80% | 0.802 | S | S | * | * | cis | -147.2 | 119.7 | -7.3 | 36.4 | -13.8 | 0 | 0 | 0 | 116.1 | ||||
| 162 | F | 35.5 | Very low | 36.5 | Very low | 224 Ų | 224 | 128.6 Ų | 128.6 | 98% | 0.982 | 80% | 0.799 | S | S | * | * | trans | -166.2 | 129.8 | 151.3 | -66.5 | -72.2 | 0 | 0 | 0 | 105 | ||||
| 163 | G | 34.4 | Very low | 36.3 | Very low | 71 Ų | 71 | 126.4 Ų | 126.4 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | cis | 131.2 | 78.9 | 17.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 164 | M | 41.3 | Very low | 36.3 | Very low | 191 Ų | 191 | 129.6 Ų | 129.6 | 94% | 0.941 | 80% | 0.799 | S | S | * | * | trans | 179.9 | 132.2 | 141.3 | -149.9 | 69.6 | 82.2 | 0 | 0 | 109.5 | ||||
| 165 | G | 40.1 | Very low | 36 | Very low | 62 Ų | 62 | 127 Ų | 127 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | trans | -77.9 | -171.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 166 | P | 50.6 | Low | 36.2 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -81.9 | 141.3 | -166.6 | 34 | -32 | 0 | 0 | 0 | 111 | ||||
| 167 | C | 29.9 | Very low | 36 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -128.9 | 95.3 | 173.5 | -163 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 168 | C | 36.8 | Very low | 36 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -77.3 | 116.5 | 153.5 | -51.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 169 | E | 29.7 | Very low | 35.6 | Very low | 178 Ų | 178 | 127.6 Ų | 127.6 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -120.5 | 118.5 | 160 | -90.9 | -154.1 | 123 | 0 | 0 | 110 | ||||
| 170 | E | 34 | Very low | 35.6 | Very low | 170 Ų | 170 | 132.2 Ų | 132.2 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -84.8 | 130 | 157.7 | 160.1 | 175.2 | 140 | 0 | 0 | 107.5 | ||||
| 171 | C | 28.1 | Very low | 35.8 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | 164.1 | 123.1 | 125.2 | -99.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 172 | A | 30.6 | Very low | 35.1 | Very low | 89 Ų | 89 | 140.9 Ų | 140.9 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | 70.9 | 125.3 | 121.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 173 | S | 31.1 | Very low | 35.1 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 80.3 | 142.2 | 135.5 | -129.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 174 | E | 32.1 | Very low | 34.8 | Very low | 178 Ų | 178 | 146.6 Ų | 146.6 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | cis | -151.3 | 155.2 | 25.6 | -70.6 | 172.2 | 135.3 | 0 | 0 | 108 | ||||
| 175 | G | 31.2 | Very low | 34.6 | Very low | 69 Ų | 69 | 141.7 Ų | 141.7 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | 59.7 | 122.6 | 72.4 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 176 | E | 38.3 | Very low | 34.3 | Very low | 197 Ų | 197 | 146.1 Ų | 146.1 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | cis | -176 | 157.9 | 45.6 | -74.9 | 167.6 | 144.1 | 0 | 0 | 104.8 | ||||
| 177 | D | 33.2 | Very low | 33.5 | Very low | 155 Ų | 155 | 145.1 Ų | 145.1 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | 179.5 | 142.5 | 80 | -174.1 | 12.8 | 0 | 0 | 0 | 110.4 | |||||
| 178 | A | 37.5 | Very low | 34.1 | Very low | 89 Ų | 89 | 151.2 Ų | 151.2 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | -144.1 | 111.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 179 | E | 32.7 | Very low | 34.3 | Very low | 146 Ų | 146 | 151.4 Ų | 151.4 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | trans | -145.1 | 112.3 | 155.1 | -95.2 | -155.6 | 92.7 | 0 | 0 | 110.5 | ||||
| 180 | R | 34.9 | Very low | 34.8 | Very low | 193 Ų | 193 | 146.1 Ų | 146.1 | 73% | 0.728 | 79% | 0.793 | S | S | * | * | 75.6 | 107.8 | 92.9 | -72.4 | -172.8 | -161.5 | 141.4 | -1.8 | 114.4 | |||||
| 181 | H | 36.1 | Very low | 35.4 | Very low | 200 Ų | 200 | 147 Ų | 147 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | trans | -133.2 | 118.3 | 141.2 | -115.9 | -96.3 | 0 | 0 | 0 | 109.3 | ||||
| 182 | H | 38.5 | Very low | 36.2 | Very low | 162 Ų | 162 | 150.9 Ų | 150.9 | 75% | 0.75 | 81% | 0.805 | S | S | * | * | trans | -83.7 | 161.3 | 177.8 | -116 | -78.5 | 0 | 0 | 0 | 111.2 | ||||
| 183 | L | 35.9 | Very low | 37.1 | Very low | 164 Ų | 164 | 152.2 Ų | 152.2 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | 102.7 | 98.5 | 161 | -52.6 | 178.5 | 0 | 0 | 0 | 116.3 | ||||
| 184 | R | 29 | Very low | 37.4 | Very low | 251 Ų | 251 | 157.4 Ų | 157.4 | 95% | 0.947 | 81% | 0.813 | S | S | * | * | -178.1 | 123.8 | 100.8 | -169.8 | 167.9 | -179.3 | -161 | -0.2 | 111 | |||||
| 185 | A | 37.3 | Very low | 37.9 | Very low | 87 Ų | 87 | 151.9 Ų | 151.9 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | trans | -86.6 | 170.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 186 | D | 32.7 | Very low | 38.9 | Very low | 156 Ų | 156 | 154.7 Ų | 154.7 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | 80 | 122.7 | -179.7 | -94.7 | -64.2 | 0 | 0 | 0 | 115.5 | ||||
| 187 | S | 34.2 | Very low | 39.1 | Very low | 110 Ų | 110 | 153.9 Ų | 153.9 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | cis | -167.7 | 152.3 | 40.5 | 24.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 188 | R | 42.7 | Very low | 39.7 | Very low | 237 Ų | 237 | 153.5 Ų | 153.5 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | trans | -60.3 | 129.9 | 176.1 | 168.5 | -161.9 | -66.5 | -140.3 | -2.9 | 113.8 | ||||
| 189 | T | 41.3 | Very low | 40.4 | Very low | 134 Ų | 134 | 154.3 Ų | 154.3 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -172.9 | 109.6 | 141 | 47 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 190 | G | 38.6 | Very low | 40.9 | Very low | 67 Ų | 67 | 155.6 Ų | 155.6 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | 78.7 | 86.1 | 51.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 191 | E | 48.5 | Very low | 41.7 | Very low | 189 Ų | 189 | 153.7 Ų | 153.7 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | 52.3 | 95 | 153.1 | -57.2 | 175.8 | 133.2 | 0 | 0 | 117.9 | ||||
| 192 | Q | 44.8 | Very low | 42.5 | Very low | 188 Ų | 188 | 149.6 Ų | 149.6 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | trans | -127.9 | 94.7 | 145.6 | -77.3 | -140.4 | 88.1 | 0 | 0 | 107.6 | ||||
| 193 | V | 48.2 | Very low | 43.6 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | 78.6 | 95.5 | 92.7 | 171.8 | 0 | 0 | 0 | 0 | 110 | G195 | V193-G195 PolarHBondContact O-N 3.18Š| |||
| 194 | F | 38.5 | Very low | 44.8 | Very low | 216 Ų | 216 | 143.8 Ų | 143.8 | 95% | 0.947 | 77% | 0.773 | S | S | * | * | trans | -39.6 | 129.1 | 146.2 | -91.4 | -105.1 | 0 | 0 | 0 | 109.9 | ||||
| 195 | G | 41.4 | Very low | 46.6 | Very low | 63 Ų | 63 | 137.2 Ų | 137.2 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | trans | 140.3 | 115.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | V193 | V193-G195 PolarHBondContact O-N 3.18Š| ||
| 196 | T | 52.3 | Low | 47.9 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | 85.6 | 77.2 | 151.2 | -36.1 | 0 | 0 | 0 | 0 | 116.8 | E198 | T196-E198 HydrophobicContact CG2-CB 4.23Š| ||
| 197 | F | 43.8 | Very low | 49.4 | Very low | 179 Ų | 179 | 134 Ų | 134 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | -101.2 | 95.9 | 139.2 | 72.5 | -82.1 | 0 | 0 | 0 | 107.4 | I199 | F197-I199 HydrophobicContact CD2-CD1 3.73Å; F197-I199 HydrophobicContact CD2-CG1 3.55Å; F197-I199 HydrophobicContact CE2-CD1 3.52Å; F197-I199 HydrophobicContact CE2-CG1 3.82Å; F197-I199 PolarHBondContact O-N 3.1Å; F197-I199 VanDerWaalsContact O-N 3.13Å | ||
| 198 | E | 45.1 | Very low | 50.9 | Low | 148 Ų | 148 | 133.2 Ų | 133.2 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | trans | -73 | 94.4 | 172.4 | -169.2 | -175.3 | 128.2 | 0 | 0 | 107.6 | T196 K200 | T196-E198 HydrophobicContact CG2-CB 4.23Å; E198-K200 PolarHBondContact O-N 2.99Å | ||
| 199 | I | 51.2 | Low | 52.1 | Low | 105 Ų | 105 | 124.7 Ų | 124.7 | 54% | 0.538 | 71% | 0.711 | S | S | . | * | trans | -79.1 | 86.9 | 165 | -51.3 | 179.6 | 0 | 0 | 0 | 106.9 | F197 H201 | F197-I199 HydrophobicContact CD2-CD1 3.73Å; F197-I199 HydrophobicContact CD2-CG1 3.55Å; F197-I199 HydrophobicContact CE2-CD1 3.52Å; F197-I199 HydrophobicContact CE2-CG1 3.82Å; F197-I199 PolarHBondContact O-N 3.1Å; F197-I199 VanDerWaalsContact O-N 3.13Å; I199-H201 WeakPolarHBondContact CG2-CD2 3.27Å; I199-H201 WeakPolarHBondContact CG2-NE2 3.47Å; I199-H201 PolarHBondContact O-N 3.38Å | ||
| 200 | K | 44.3 | Very low | 53.3 | Low | 173 Ų | 173 | 122.8 Ų | 122.8 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | trans | -66 | 82.1 | 166.8 | -174.8 | 170 | 175.6 | 169 | 0 | 108.9 | E198 P202 | E198-K200 PolarHBondContact O-N 2.99Å; K200-P202 WeakPolarHBondContact O-CD 3.14Å | ||
| 201 | H | 51 | Low | 54.7 | Low | 153 Ų | 153 | 125.2 Ų | 125.2 | 71% | 0.708 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 117.5 | 158.1 | -71.5 | -67.5 | 0 | 0 | 0 | 107.3 | I199 A203 | I199-H201 WeakPolarHBondContact CG2-CD2 3.27Å; I199-H201 WeakPolarHBondContact CG2-NE2 3.47Å; I199-H201 PolarHBondContact O-N 3.38Å; H201-A203 PolarHBondContact O-N 3.43Å |
| 202 | P | 52.9 | Low | 55.8 | Low | 114 Ų | 114 | 123.2 Ų | 123.2 | 74% | 0.74 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 129.1 | 164.6 | 25.6 | -29.5 | 0 | 0 | 0 | 107.9 | K200 | K200-P202 WeakPolarHBondContact O-CD 3.14Š|
| 203 | A | 61.2 | Low | 57.4 | Low | 90 Ų | 90 | 119.8 Ų | 119.8 | 74% | 0.744 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 132.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | H201 | H201-A203 PolarHBondContact O-N 3.43Š|
| 204 | P | 62.3 | Low | 58.1 | Low | 114 Ų | 114 | 120.6 Ų | 120.6 | 74% | 0.74 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -59 | 143.5 | 171.9 | 24.6 | -30.9 | 0 | 0 | 0 | 109 | ||
| 205 | P | 65.6 | Low | 59.6 | Low | 113 Ų | 113 | 114 Ų | 114 | 73% | 0.734 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 144.6 | 175.5 | 25.5 | -33.1 | 0 | 0 | 0 | 109.4 | D207 | P205-D207 PolarHBondContact O-N 3.45Å; P205-D207 VanDerWaalsContact O-N 3.15Å |
| 206 | P | 64.6 | Low | 61 | Low | 89 Ų | 89 | 118 Ų | 118 | 58% | 0.578 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 125.3 | 173 | 24.7 | -31.8 | 0 | 0 | 0 | 108 | P208 E211 | P206-P208 WeakPolarHBondContact O-CD 3.41Å; P206-E211 HydrophobicContact CB-CG 4.48Å |
| 207 | D | 65.8 | Low | 62.2 | Low | 88 Ų | 88 | 115.4 Ų | 115.4 | 47% | 0.471 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -67.8 | 118.8 | 174.1 | -173.4 | -14.8 | 0 | 0 | 0 | 106.9 | P205 A209 L210 E211 | P205-D207 PolarHBondContact O-N 3.45Å; P205-D207 VanDerWaalsContact O-N 3.15Å; D207-A209 PolarHBondContact O-N 2.83Å; D207-A209 WeakPolarHBondContact OD1-CB 3.26Å; D207-A209 PolarHBondContact OD1-N 3.31Å; D207-A209 VanDerWaalsContact OD1-N 3.09Å; D207-L210 HydrophobicContact CB-CB 4.45Å; D207-L210 HydrophobicContact CB-CD1 4.16Å; D207-L210 HydrophobicContact CB-CG 4.07Å; D207-L210 WeakPolarHBondContact O-CB 3.46Å; D207-L210 PolarHBondContact O-N 3.19Å; D207-E211 PolarHBondContact O-N 3.1Å |
| 208 | P | 65.9 | Low | 63.4 | Low | 93 Ų | 93 | 112.6 Ų | 112.6 | 60% | 0.604 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.1 | -23.3 | -179.8 | 23.9 | -34.3 | 0 | 0 | 0 | 112.2 | P206 L210 E211 E212 | P206-P208 WeakPolarHBondContact O-CD 3.41Å; P208-L210 VanDerWaalsContact C-N 3.3Å; P208-L210 PolarHBondContact O-N 3.03Å; P208-E211 PolarHBondContact O-N 2.96Å; P208-E212 PolarHBondContact O-N 3.3Å; P208-E212 VanDerWaalsContact O-N 3.09Å |
| 209 | A | 65.9 | Low | 64.3 | Low | 58 Ų | 58 | 110.8 Ų | 110.8 | 48% | 0.479 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -69.4 | -25.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D207 L213 | D207-A209 PolarHBondContact O-N 2.83Å; D207-A209 WeakPolarHBondContact OD1-CB 3.26Å; D207-A209 PolarHBondContact OD1-N 3.31Å; D207-A209 VanDerWaalsContact OD1-N 3.09Å; A209-L213 PolarHBondContact O-N 3.1Å |
| 210 | L | 68.3 | Low | 64.9 | Low | 93 Ų | 93 | 109.8 Ų | 109.8 | 49% | 0.487 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -83.3 | -34 | 173.6 | -64.4 | 180 | 0 | 0 | 0 | 111.4 | D207 P208 E212 L213 F214 | D207-L210 HydrophobicContact CB-CB 4.45Å; D207-L210 HydrophobicContact CB-CD1 4.16Å; D207-L210 HydrophobicContact CB-CG 4.07Å; D207-L210 WeakPolarHBondContact O-CB 3.46Å; D207-L210 PolarHBondContact O-N 3.19Å; P208-L210 VanDerWaalsContact C-N 3.3Å; P208-L210 PolarHBondContact O-N 3.03Å; L210-E212 VanDerWaalsContact C-N 3.34Å; L210-L213 HydrophobicContact CD2-CD2 4.46Å; L210-L213 PolarHBondContact O-N 3.3Å; L210-F214 WeakPolarHBondContact O-CD2 3.39Å; L210-F214 PolarHBondContact O-N 3.34Å |
| 211 | E | 66.6 | Low | 65.8 | Low | 118 Ų | 118 | 110.9 Ų | 110.9 | 55% | 0.551 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.9 | -37.1 | 173.7 | -78.3 | 178 | 156.3 | 0 | 0 | 112.1 | P206 D207 P208 S215 | P206-E211 HydrophobicContact CB-CG 4.48Å; D207-E211 PolarHBondContact O-N 3.1Å; P208-E211 PolarHBondContact O-N 2.96Å; E211-S215 WeakPolarHBondContact O-CB 3.5Å; E211-S215 PolarHBondContact O-N 2.95Å |
| 212 | E | 73.1 | Confident | 66.2 | Low | 148 Ų | 148 | 111.9 Ų | 111.9 | 69% | 0.692 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.6 | -30.5 | 172.9 | -166.3 | 175.8 | 172.9 | 0 | 0 | 112.5 | P208 L210 F214 S215 | P208-E212 PolarHBondContact O-N 3.3Å; P208-E212 VanDerWaalsContact O-N 3.09Å; L210-E212 VanDerWaalsContact C-N 3.34Å; E212-F214 VanDerWaalsContact C-N 3.34Å; E212-F214 PolarHBondContact O-N 3.36Å; E212-S215 PolarHBondContact O-OG 2.9Å |
| 213 | L | 77.3 | Confident | 66.7 | Low | 115 Ų | 115 | 109.9 Ų | 109.9 | 60% | 0.602 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -71.5 | -28.7 | 178 | -172.5 | 62.3 | 0 | 0 | 0 | 112.9 | A209 L210 | A209-L213 PolarHBondContact O-N 3.1Å; L210-L213 HydrophobicContact CD2-CD2 4.46Å; L210-L213 PolarHBondContact O-N 3.3Å |
| 214 | F | 63.2 | Low | 66.9 | Low | 135 Ų | 135 | 111.4 Ų | 111.4 | 59% | 0.592 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -104.4 | -3.9 | 179.5 | -61.9 | -65.8 | 0 | 0 | 0 | 113.6 | L210 E212 D216 V217 | L210-F214 WeakPolarHBondContact O-CD2 3.39Å; L210-F214 PolarHBondContact O-N 3.34Å; E212-F214 VanDerWaalsContact C-N 3.34Å; E212-F214 PolarHBondContact O-N 3.36Å; F214-D216 VanDerWaalsContact C-N 3.29Å; F214-D216 PolarHBondContact O-N 3.15Å; F214-V217 HydrophobicContact CD1-CG2 4.44Å; F214-V217 PolarHBondContact O-N 2.91Å |
| 215 | S | 69.4 | Low | 66.9 | Low | 78 Ų | 78 | 111.2 Ų | 111.2 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.4 | -25.8 | 179.8 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | E211 E212 V217 | E211-S215 WeakPolarHBondContact O-CB 3.5Å; E211-S215 PolarHBondContact O-N 2.95Å; E212-S215 PolarHBondContact O-OG 2.9Å; S215-V217 VanDerWaalsContact C-N 3.32Å |
| 216 | D | 70.7 | Confident | 66.7 | Low | 147 Ų | 147 | 110.5 Ų | 110.5 | 79% | 0.786 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -3.2 | 177.1 | -64.4 | -14 | 0 | 0 | 0 | 112.5 | F214 D218 | F214-D216 VanDerWaalsContact C-N 3.29Å; F214-D216 PolarHBondContact O-N 3.15Å; D216-D218 PolarHBondContact O-N 3.26Å |
| 217 | V | 77.7 | Confident | 66.4 | Low | 73 Ų | 73 | 111 Ų | 111 | 44% | 0.442 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -87.6 | 103.4 | 175.8 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | F214 S215 P219 | F214-V217 HydrophobicContact CD1-CG2 4.44Å; F214-V217 PolarHBondContact O-N 2.91Å; S215-V217 VanDerWaalsContact C-N 3.32Å; V217-P219 WeakPolarHBondContact O-CD 3.35Å |
| 218 | D | 70.5 | Confident | 66.2 | Low | 119 Ų | 119 | 112.3 Ų | 112.3 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | trans | -56.6 | 124.6 | 177.7 | -79.3 | -50.2 | 0 | 0 | 0 | 111.1 | D216 S220 Y221 | D216-D218 PolarHBondContact O-N 3.26Å; D218-S220 PolarHBondContact O-N 3Å; D218-Y221 PolarHBondContact O-N 3.4Å | ||
| 219 | P | 64 | Low | 65.8 | Low | 111 Ų | 111 | 112.3 Ų | 112.3 | 72% | 0.721 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -60.1 | -15.3 | 176.3 | -22.9 | 32 | 0 | 0 | 0 | 113.9 | V217 Y221 Y222 | V217-P219 WeakPolarHBondContact O-CD 3.35Å; P219-Y221 PolarHBondContact O-N 3.35Å; P219-Y222 PolarHBondContact O-N 3.48Å |
| 220 | S | 62.3 | Low | 65.2 | Low | 84 Ų | 84 | 112.7 Ų | 112.7 | 59% | 0.587 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -67.2 | -18 | 179.6 | 63 | 0 | 0 | 0 | 0 | 113.7 | D218 Y222 D223 | D218-S220 PolarHBondContact O-N 3Å; S220-Y222 PolarHBondContact O-N 3.08Å; S220-D223 PolarHBondContact O-N 3.25Å |
| 221 | Y | 62.7 | Low | 64.6 | Low | 195 Ų | 195 | 116 Ų | 116 | 77% | 0.765 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -68.4 | -25.3 | 173.4 | -171.6 | -99.6 | 0 | 0 | 0 | 112.7 | D218 P219 | D218-Y221 PolarHBondContact O-N 3.4Å; P219-Y221 PolarHBondContact O-N 3.35Å |
| 222 | Y | 60.5 | Low | 63.9 | Low | 174 Ų | 174 | 117.7 Ų | 117.7 | 68% | 0.682 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -98.5 | 1.7 | 177.9 | -67.9 | -80.2 | 0 | 0 | 0 | 113.4 | P219 S220 L224 | P219-Y222 PolarHBondContact O-N 3.48Å; S220-Y222 PolarHBondContact O-N 3.08Å; Y222-L224 VanDerWaalsContact C-N 3.29Å; Y222-L224 PolarHBondContact O-N 3.03Å |
| 223 | D | 63.5 | Low | 62.5 | Low | 72 Ų | 72 | 115.5 Ų | 115.5 | 39% | 0.385 | 63% | 0.632 | S | S | . | * | trans | -77.6 | 80.5 | 172.8 | -176.4 | 39.1 | 0 | 0 | 0 | 110.7 | S220 D225 T226 | S220-D223 PolarHBondContact O-N 3.25Å; D223-D225 PolarHBondContact O-N 3.33Å; D223-D225 VanDerWaalsContact O-N 3.15Å; D223-T226 PolarHBondContact O-N 3.38Å; D223-T226 PolarHBondContact OD2-OG1 3.18Å | ||
| 224 | L | 65.4 | Low | 61.1 | Low | 122 Ų | 122 | 116 Ų | 116 | 64% | 0.639 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -60.9 | -15.6 | 177 | -82 | 138.8 | 0 | 0 | 0 | 113.4 | Y222 T226 V227 L228 | Y222-L224 VanDerWaalsContact C-N 3.29Å; Y222-L224 PolarHBondContact O-N 3.03Å; L224-T226 VanDerWaalsContact C-N 3.26Å; L224-T226 PolarHBondContact O-N 2.74Å; L224-V227 HydrophobicContact CD2-CG2 4.32Å; L224-V227 WeakPolarHBondContact O-CG2 3.15Å; L224-V227 PolarHBondContact O-N 3.38Å; L224-L228 PolarHBondContact O-N 2.99Å |
| 225 | D | 62.3 | Low | 60.1 | Low | 111 Ų | 111 | 114.8 Ų | 114.8 | 59% | 0.594 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.8 | -26.8 | 179.4 | -77.3 | -51.6 | 0 | 0 | 0 | 112.4 | D223 T229 | D223-D225 PolarHBondContact O-N 3.33Å; D223-D225 VanDerWaalsContact O-N 3.15Å; D225-T229 VanDerWaalsContact O-CB 3.31Å; D225-T229 WeakPolarHBondContact O-CB 3.31Å; D225-T229 PolarHBondContact O-N 3.41Å; D225-T229 PolarHBondContact O-OG1 2.88Å |
| 226 | T | 60.9 | Low | 59.3 | Low | 98 Ų | 98 | 121.2 Ų | 121.2 | 60% | 0.601 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -74.2 | -37.5 | 179.3 | -60.5 | 0 | 0 | 0 | 0 | 112.6 | D223 L224 G230 | D223-T226 PolarHBondContact O-N 3.38Å; D223-T226 PolarHBondContact OD2-OG1 3.18Å; L224-T226 VanDerWaalsContact C-N 3.26Å; L224-T226 PolarHBondContact O-N 2.74Å; T226-G230 PolarHBondContact O-N 3.01Å |
| 227 | V | 59.5 | Low | 58.5 | Low | 99 Ų | 99 | 121 Ų | 121 | 60% | 0.6 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.9 | -30.4 | 174.2 | -65.8 | 0 | 0 | 0 | 0 | 112.4 | L224 | L224-V227 HydrophobicContact CD2-CG2 4.32Å; L224-V227 WeakPolarHBondContact O-CG2 3.15Å; L224-V227 PolarHBondContact O-N 3.38Å |
| 228 | L | 60.1 | Low | 57.3 | Low | 116 Ų | 116 | 120 Ų | 120 | 61% | 0.607 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -73.9 | -34.1 | 176.4 | -117.3 | 115.4 | 0 | 0 | 0 | 112.4 | L224 | L224-L228 PolarHBondContact O-N 2.99Å |
| 229 | T | 58.3 | Low | 56.4 | Low | 93 Ų | 93 | 119.8 Ų | 119.8 | 57% | 0.571 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -77.6 | -22.6 | -178.5 | -56.6 | 0 | 0 | 0 | 0 | 112.7 | D225 M231 Q232 | D225-T229 VanDerWaalsContact O-CB 3.31Å; D225-T229 WeakPolarHBondContact O-CB 3.31Å; D225-T229 PolarHBondContact O-N 3.41Å; D225-T229 PolarHBondContact O-OG1 2.88Å; T229-M231 PolarHBondContact O-N 3.18Å; T229-Q232 PolarHBondContact O-N 3.4Å |
| 230 | G | 53.8 | Low | 55.5 | Low | 66 Ų | 66 | 123.9 Ų | 123.9 | 68% | 0.68 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -13.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | T226 | T226-G230 PolarHBondContact O-N 3.01Š|
| 231 | M | 54.6 | Low | 54.8 | Low | 163 Ų | 163 | 125.3 Ų | 125.3 | 80% | 0.803 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -0.5 | 179 | -62.8 | 179.8 | 68 | 0 | 0 | 113.7 | T229 S233 | T229-M231 PolarHBondContact O-N 3.18Å; M231-S233 PolarHBondContact O-N 3.39Å |
| 232 | Q | 53.3 | Low | 54.5 | Low | 152 Ų | 152 | 123.4 Ų | 123.4 | 71% | 0.71 | 68% | 0.675 | S | S | * | * | trans | -95.8 | 47 | 178.2 | -64.6 | -153.5 | 91.7 | 0 | 0 | 113 | T229 T234 | T229-Q232 PolarHBondContact O-N 3.4Å; Q232-T234 PolarHBondContact O-N 3.24Å | ||
| 233 | S | 43.2 | Very low | 54.1 | Low | 102 Ų | 102 | 122.5 Ų | 122.5 | 71% | 0.713 | 68% | 0.681 | S | S | * | * | trans | -84.5 | 98 | 152.4 | 63.4 | 0 | 0 | 0 | 0 | 107.6 | M231 P235 | M231-S233 PolarHBondContact O-N 3.39Å; S233-P235 WeakPolarHBondContact O-CD 3.47Å | ||
| 234 | T | 46.7 | Very low | 53.3 | Low | 125 Ų | 125 | 127.1 Ų | 127.1 | 77% | 0.767 | 70% | 0.7 | S | S | * | * | trans | -61.3 | 119.3 | 174.9 | 52.4 | 0 | 0 | 0 | 0 | 111.5 | Q232 | Q232-T234 PolarHBondContact O-N 3.24Š| ||
| 235 | P | 42.8 | Very low | 52.4 | Low | 110 Ų | 110 | 126.3 Ų | 126.3 | 71% | 0.714 | 71% | 0.705 | S | S | * | * | trans | -86.5 | 120 | 143.5 | 30 | -18.2 | 0 | 0 | 0 | 107.1 | S233 M237 | S233-P235 WeakPolarHBondContact O-CD 3.47Å; P235-M237 VanDerWaalsContact C-N 3.26Å; P235-M237 PolarHBondContact O-N 2.84Å | ||
| 236 | K | 52.4 | Low | 51.7 | Low | 213 Ų | 213 | 128.7 Ų | 128.7 | 93% | 0.926 | 72% | 0.717 | S | S | * | * | trans | -67.4 | 84.6 | 171.4 | -175.5 | 165.3 | 175.3 | 137.1 | 0 | 108.8 | ||||
| 237 | M | 54.8 | Low | 50.9 | Low | 142 Ų | 142 | 129 Ų | 129 | 70% | 0.7 | 72% | 0.723 | S | S | * | * | trans | -118 | 126.7 | 166 | -90.8 | 179.4 | 80.9 | 0 | 0 | 109.5 | P235 D241 | P235-M237 VanDerWaalsContact C-N 3.26Å; P235-M237 PolarHBondContact O-N 2.84Å; M237-D241 HydrophobicContact CE-CB 4.15Å | ||
| 238 | G | 50.8 | Low | 50.1 | Low | 52 Ų | 52 | 128.3 Ų | 128.3 | 54% | 0.536 | 72% | 0.722 | S | S | . | * | trans | -74.9 | 171.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y240 | G238-Y240 PolarHBondContact O-N 3.47Š| ||
| 239 | P | 52.1 | Low | 49.2 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 75% | 0.747 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 19.2 | -164.3 | -16.5 | 30.9 | 0 | 0 | 0 | 117.4 | ||
| 240 | Y | 46 | Very low | 48.5 | Very low | 197 Ų | 197 | 130.4 Ų | 130.4 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128 | 0.8 | -162.8 | -55.5 | -73.6 | 0 | 0 | 0 | 117.9 | G238 | G238-Y240 PolarHBondContact O-N 3.47Š|
| 241 | D | 48.1 | Very low | 48.3 | Very low | 114 Ų | 114 | 133 Ų | 133 | 61% | 0.61 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -99.9 | 1 | -173 | -86.2 | -34.8 | 0 | 0 | 0 | 116.8 | M237 | M237-D241 HydrophobicContact CE-CB 4.15Š|
| 242 | L | 55.3 | Low | 47.5 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -91.7 | -7.3 | 179.7 | -82.7 | 168.2 | 0 | 0 | 0 | 115 | ||
| 243 | L | 52.9 | Low | 47.3 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -95.6 | -10.8 | -175.6 | -69.1 | 174.3 | 0 | 0 | 0 | 114.4 | ||
| 244 | E | 46.8 | Very low | 47.2 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -87.5 | -21.3 | 179.7 | -153.7 | 91.6 | -148 | 0 | 0 | 112.5 | ||
| 245 | S | 45.4 | Very low | 46.7 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -7.9 | -174.6 | -61.5 | 0 | 0 | 0 | 0 | 116 | ||
| 246 | L | 47.7 | Very low | 46.7 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | 5.4 | 177.5 | -61.3 | 179.2 | 0 | 0 | 0 | 113.6 | ||
| 247 | S | 44.2 | Very low | 46.2 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -106.6 | 48.4 | -178.5 | -173.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 248 | S | 43.3 | Very low | 46.1 | Very low | 84 Ų | 84 | 121.9 Ų | 121.9 | 59% | 0.587 | 74% | 0.741 | S | S | * | * | trans | -129.7 | 137.7 | 158.6 | -159.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 249 | H | 40.8 | Very low | 46 | Very low | 181 Ų | 181 | 123.6 Ų | 123.6 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | trans | 87.2 | 65.4 | -178.4 | -31.2 | -55.5 | 0 | 0 | 0 | 116.5 | ||||
| 250 | G | 43.9 | Very low | 45.7 | Very low | 71 Ų | 71 | 123 Ų | 123 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | trans | -99.8 | 165.8 | 131.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 251 | P | 50.2 | Low | 46 | Very low | 121 Ų | 121 | 124.1 Ų | 124.1 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | cis | -132.7 | -171.5 | 30.1 | 33.9 | -10 | 0 | 0 | 0 | 110.9 | ||||
| 252 | T | 37 | Very low | 46.3 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | cis | -170.4 | 137.3 | 27.9 | -27.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 253 | A | 49.2 | Very low | 46.5 | Very low | 88 Ų | 88 | 118.8 Ų | 118.8 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | trans | -77.9 | 147.4 | 153.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 254 | L | 40.3 | Very low | 47.4 | Very low | 172 Ų | 172 | 117.3 Ų | 117.3 | 90% | 0.901 | 71% | 0.711 | S | S | * | * | trans | 178.3 | 138.6 | 139.9 | -93.6 | 163.7 | 0 | 0 | 0 | 111.9 | ||||
| 255 | S | 36 | Very low | 48.7 | Very low | 105 Ų | 105 | 115.5 Ų | 115.5 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | trans | 90.7 | 96.7 | 153.6 | -145.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 256 | S | 42.8 | Very low | 50.5 | Low | 100 Ų | 100 | 116 Ų | 116 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -40.4 | 136.3 | 142.1 | -52.5 | 0 | 0 | 0 | 0 | 113.1 | A258 | S256-A258 PolarHBondContact O-N 3.36Š|
| 257 | S | 42.1 | Very low | 52.4 | Low | 115 Ų | 115 | 113.3 Ų | 113.3 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 61.3 | 39.7 | 135.1 | 69.2 | 0 | 0 | 0 | 0 | 121.1 | ||
| 258 | A | 52.7 | Low | 54.3 | Low | 75 Ų | 75 | 113 Ų | 113 | 62% | 0.62 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -119.6 | -14.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S256 | S256-A258 PolarHBondContact O-N 3.36Š|
| 259 | T | 48.7 | Very low | 56.3 | Low | 87 Ų | 87 | 114 Ų | 114 | 53% | 0.534 | 67% | 0.668 | S | S | . | * | trans | -109.4 | -8.6 | -161.5 | -34.9 | 0 | 0 | 0 | 0 | 115.9 | R261 S262 D263 | T259-R261 PolarHBondContact O-N 3.27Å; T259-S262 WeakPolarHBondContact O-CB 3.17Å; T259-S262 PolarHBondContact O-N 3.3Å; T259-D263 PolarHBondContact O-N 3.13Å | ||
| 260 | C | 46.6 | Very low | 58.5 | Low | 104 Ų | 104 | 109 Ų | 109 | 70% | 0.703 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -4.8 | 177.1 | 50.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 261 | R | 51.3 | Low | 60.6 | Low | 220 Ų | 220 | 110.5 Ų | 110.5 | 83% | 0.83 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -23.9 | 166.2 | -66.9 | -160.8 | 72.4 | -165 | 0.7 | 113.7 | T259 | T259-R261 PolarHBondContact O-N 3.27Š|
| 262 | S | 55.4 | Low | 62.4 | Low | 66 Ų | 66 | 110.9 Ų | 110.9 | 46% | 0.462 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.3 | -30.1 | 177.2 | -50.5 | 0 | 0 | 0 | 0 | 111.7 | T259 L264 N265 E266 | T259-S262 WeakPolarHBondContact O-CB 3.17Å; T259-S262 PolarHBondContact O-N 3.3Å; S262-L264 VanDerWaalsContact C-N 3.34Å; S262-L264 PolarHBondContact O-N 2.9Å; S262-N265 PolarHBondContact O-N 3.37Å; S262-E266 PolarHBondContact O-N 3.38Å |
| 263 | D | 59.6 | Low | 64.7 | Low | 92 Ų | 92 | 109.9 Ų | 109.9 | 49% | 0.492 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.5 | -28.6 | -179.5 | -112.7 | -63.8 | 0 | 0 | 0 | 114.2 | T259 E266 L267 | T259-D263 PolarHBondContact O-N 3.13Å; D263-E266 PolarHBondContact O-N 3.37Å; D263-L267 WeakPolarHBondContact O-CB 3.5Å; D263-L267 PolarHBondContact O-N 3.43Å |
| 264 | L | 71.6 | Confident | 66.2 | Low | 124 Ų | 124 | 112 Ų | 112 | 65% | 0.649 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.8 | -36.2 | 178.4 | -77.1 | 171 | 0 | 0 | 0 | 112.2 | S262 D268 | S262-L264 VanDerWaalsContact C-N 3.34Å; S262-L264 PolarHBondContact O-N 2.9Å; L264-D268 PolarHBondContact O-N 3.25Å; L264-D268 VanDerWaalsContact O-N 3.13Å |
| 265 | N | 73.2 | Confident | 68.2 | Low | 130 Ų | 130 | 109.5 Ų | 109.5 | 70% | 0.695 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -74.2 | -33.1 | 177.6 | -173.2 | 60.2 | 0 | 0 | 0 | 111.6 | S262 H269 | S262-N265 PolarHBondContact O-N 3.37Å; N265-H269 PolarHBondContact O-N 3.45Å |
| 266 | E | 85.1 | Confident | 69.6 | Low | 115 Ų | 115 | 107 Ų | 107 | 54% | 0.537 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.9 | -40.2 | 173.2 | -175.3 | 167.6 | -168.7 | 0 | 0 | 111.6 | S262 D263 D268 H269 I270 | S262-E266 PolarHBondContact O-N 3.38Å; D263-E266 PolarHBondContact O-N 3.37Å; E266-D268 VanDerWaalsContact C-N 3.34Å; E266-D268 PolarHBondContact O-N 3.26Å; E266-H269 PolarHBondContact O-N 3.42Å; E266-I270 HydrophobicContact CG-CD1 3.86Å; E266-I270 HydrophobicContact CG-CG1 4.44Å; E266-I270 WeakPolarHBondContact O-CB 3.33Å; E266-I270 WeakPolarHBondContact O-CD1 3.18Å; E266-I270 WeakPolarHBondContact O-CG1 3.12Å; E266-I270 PolarHBondContact O-N 2.89Å |
| 267 | L | 86.8 | Confident | 70 | Confident | 106 Ų | 106 | 111 Ų | 111 | 56% | 0.555 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -62.2 | -40.3 | 175.7 | -173.2 | 68.2 | 0 | 0 | 0 | 112.2 | D263 I270 M271 | D263-L267 WeakPolarHBondContact O-CB 3.5Å; D263-L267 PolarHBondContact O-N 3.43Å; L267-I270 PolarHBondContact O-N 3.26Å; L267-M271 WeakPolarHBondContact O-CB 3.2Å; L267-M271 PolarHBondContact O-N 3.02Å |
| 268 | D | 84.8 | Confident | 71.4 | Confident | 98 Ų | 98 | 110.8 Ų | 110.8 | 52% | 0.524 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.5 | -40.9 | 176.7 | -140.3 | 35.4 | 0 | 0 | 0 | 111 | L264 E266 M271 E272 | L264-D268 PolarHBondContact O-N 3.25Å; L264-D268 VanDerWaalsContact O-N 3.13Å; E266-D268 VanDerWaalsContact C-N 3.34Å; E266-D268 PolarHBondContact O-N 3.26Å; D268-M271 PolarHBondContact O-N 3.33Å; D268-M271 WeakPolarHBondContact OD1-CE 3.25Å; D268-E272 WeakPolarHBondContact O-CB 3.45Å; D268-E272 PolarHBondContact O-N 2.84Å |
| 269 | H | 84.1 | Confident | 72.4 | Confident | 104 Ų | 104 | 112.6 Ų | 112.6 | 48% | 0.481 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.9 | -39.1 | 175.3 | -170 | 55.7 | 0 | 0 | 0 | 112.9 | N265 E266 M271 E272 I273 | N265-H269 PolarHBondContact O-N 3.45Å; E266-H269 PolarHBondContact O-N 3.42Å; H269-M271 VanDerWaalsContact C-N 3.35Å; H269-E272 IonicContact ND1-OE2 3.22Å; H269-E272 PolarHBondContact O-N 2.84Å; H269-I273 VanDerWaalsContact O-CG1 3.32Å; H269-I273 WeakPolarHBondContact O-CG1 3.38Å; H269-I273 PolarHBondContact O-N 2.87Å |
| 270 | I | 87.5 | Confident | 73.7 | Confident | 78 Ų | 78 | 114.1 Ų | 114.1 | 40% | 0.4 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.2 | -44.2 | 173.7 | -70.4 | 164.5 | 0 | 0 | 0 | 110 | E266 L267 E272 I273 I274 | E266-I270 HydrophobicContact CG-CD1 3.86Å; E266-I270 HydrophobicContact CG-CG1 4.44Å; E266-I270 WeakPolarHBondContact O-CB 3.33Å; E266-I270 WeakPolarHBondContact O-CD1 3.18Å; E266-I270 WeakPolarHBondContact O-CG1 3.12Å; E266-I270 PolarHBondContact O-N 2.89Å; L267-I270 PolarHBondContact O-N 3.26Å; I270-E272 VanDerWaalsContact C-N 3.35Å; I270-I273 PolarHBondContact O-N 3.11Å; I270-I274 HydrophobicContact CG2-CD1 3.78Å; I270-I274 WeakPolarHBondContact O-CD1 3.26Å; I270-I274 VanDerWaalsContact O-CG1 3.25Å; I270-I274 WeakPolarHBondContact O-CG1 3.24Å; I270-I274 PolarHBondContact O-N 3.38Å; I270-I274 VanDerWaalsContact O-N 3.11Å |
| 271 | M | 88.7 | Confident | 75.3 | Confident | 101 Ų | 101 | 114.6 Ų | 114.6 | 50% | 0.498 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.2 | -39.7 | 175.8 | -175.4 | -179.4 | 57 | 0 | 0 | 111.5 | L267 D268 H269 I273 I274 V275 | L267-M271 WeakPolarHBondContact O-CB 3.2Å; L267-M271 PolarHBondContact O-N 3.02Å; D268-M271 PolarHBondContact O-N 3.33Å; D268-M271 WeakPolarHBondContact OD1-CE 3.25Å; H269-M271 VanDerWaalsContact C-N 3.35Å; M271-I273 PolarHBondContact O-N 2.74Å; M271-I274 PolarHBondContact O-N 2.85Å; M271-V275 HydrophobicContact CG-CG2 4.07Å; M271-V275 VanDerWaalsContact O-CB 3.26Å; M271-V275 WeakPolarHBondContact O-CB 3.46Å; M271-V275 VanDerWaalsContact O-CG2 3.24Å; M271-V275 WeakPolarHBondContact O-CG2 3.24Å; M271-V275 PolarHBondContact O-N 3.26Å |
| 272 | E | 86.6 | Confident | 76.8 | Confident | 129 Ų | 129 | 108.1 Ų | 108.1 | 60% | 0.603 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.6 | -42.8 | 175.3 | -173.2 | -177.3 | -171.8 | 0 | 0 | 112 | D268 H269 I270 I274 V275 G276 | D268-E272 WeakPolarHBondContact O-CB 3.45Å; D268-E272 PolarHBondContact O-N 2.84Å; H269-E272 IonicContact ND1-OE2 3.22Å; H269-E272 PolarHBondContact O-N 2.84Å; I270-E272 VanDerWaalsContact C-N 3.35Å; E272-I274 VanDerWaalsContact C-N 3.34Å; E272-I274 PolarHBondContact O-N 3.46Å; E272-V275 PolarHBondContact O-N 3.48Å; E272-G276 VanDerWaalsContact O-CA 3.24Å; E272-G276 WeakPolarHBondContact O-CA 3.32Å; E272-G276 PolarHBondContact O-N 3.5Å |
| 273 | I | 85.2 | Confident | 78.2 | Confident | 98 Ų | 98 | 110.9 Ų | 110.9 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.9 | -39.3 | 176.3 | -67 | 163.9 | 0 | 0 | 0 | 111.4 | H269 I270 M271 | H269-I273 VanDerWaalsContact O-CG1 3.32Å; H269-I273 WeakPolarHBondContact O-CG1 3.38Å; H269-I273 PolarHBondContact O-N 2.87Å; I270-I273 PolarHBondContact O-N 3.11Å; M271-I273 PolarHBondContact O-N 2.74Å |
| 274 | I | 80.7 | Confident | 79.5 | Confident | 134 Ų | 134 | 112.2 Ų | 112.2 | 69% | 0.687 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -74.5 | -33.7 | -178.8 | -65.3 | 166.7 | 0 | 0 | 0 | 111.5 | I270 M271 E272 | I270-I274 HydrophobicContact CG2-CD1 3.78Å; I270-I274 WeakPolarHBondContact O-CD1 3.26Å; I270-I274 VanDerWaalsContact O-CG1 3.25Å; I270-I274 WeakPolarHBondContact O-CG1 3.24Å; I270-I274 PolarHBondContact O-N 3.38Å; I270-I274 VanDerWaalsContact O-N 3.11Å; M271-I274 PolarHBondContact O-N 2.85Å; E272-I274 VanDerWaalsContact C-N 3.34Å; E272-I274 PolarHBondContact O-N 3.46Å |
| 275 | V | 83.3 | Confident | 80.1 | Confident | 118 Ų | 118 | 111.3 Ų | 111.3 | 72% | 0.715 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -94.2 | -21.1 | -176.4 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | M271 E272 | M271-V275 HydrophobicContact CG-CG2 4.07Å; M271-V275 VanDerWaalsContact O-CB 3.26Å; M271-V275 WeakPolarHBondContact O-CB 3.46Å; M271-V275 VanDerWaalsContact O-CG2 3.24Å; M271-V275 WeakPolarHBondContact O-CG2 3.24Å; M271-V275 PolarHBondContact O-N 3.26Å; E272-V275 PolarHBondContact O-N 3.48Å |
| 276 | G | 64 | Low | 80.7 | Confident | 52 Ų | 52 | 109.8 Ų | 109.8 | 54% | 0.536 | 61% | 0.61 | S | S | . | * | trans | -128 | 74.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E272 | E272-G276 VanDerWaalsContact O-CA 3.24Å; E272-G276 WeakPolarHBondContact O-CA 3.32Å; E272-G276 PolarHBondContact O-N 3.5Å | ||
| 277 | S | 51.6 | Low | 80.3 | Confident | 184 Ų | 184 | 109.3 Ų | 109.3 | 100% | 1.287 | 62% | 0.617 | S | S | * | * | trans | -149.6 | 0 | 152.8 | -73.1 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 277 of 277 residues in 83 ms
(Link to these results)