| 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 | 40.8 | Very low | 50 | Low | 241 Ų | 241 | 122.7 Ų | 122.7 | 100% | 1.187 | 72% | 0.719 | S | S | * | * | 0 | 149.6 | 0 | -72.9 | -172.8 | 162.1 | 0 | 0 | 107.9 | |||||
| 2 | P | 51 | Low | 51.5 | Low | 122 Ų | 122 | 126.3 Ų | 126.3 | 79% | 0.792 | 73% | 0.727 | S | S | * | * | -90.9 | -151.8 | -73.5 | 35.8 | -21.3 | 0 | 0 | 0 | 109 | |||||
| 3 | D | 46.3 | Very low | 53 | Low | 137 Ų | 137 | 127.7 Ų | 127.7 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | cis | -155.1 | 174.2 | 0 | -159.9 | -141.8 | 0 | 0 | 0 | 113.3 | ||||
| 4 | S | 47 | Very low | 54.3 | Low | 92 Ų | 92 | 124.4 Ų | 124.4 | 64% | 0.643 | 71% | 0.707 | S | S | * | * | trans | 38.6 | 113.8 | 149.5 | -73.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 5 | A | 48.2 | Very low | 55.9 | Low | 88 Ų | 88 | 119.6 Ų | 119.6 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 142.9 | 151.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | A7 | A5-A7 PolarHBondContact O-N 3.39Š|
| 6 | P | 48.2 | Very low | 56.7 | Low | 129 Ų | 129 | 120.3 Ų | 120.3 | 84% | 0.838 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 128.8 | 172.9 | 27.8 | -32.9 | 0 | 0 | 0 | 110.4 | ||
| 7 | A | 50.9 | Low | 57.4 | Low | 59 Ų | 59 | 119.5 Ų | 119.5 | 49% | 0.488 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -61 | 138.8 | -162.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A5 A9 | A5-A7 PolarHBondContact O-N 3.39Å; A7-A9 HydrophobicContact CB-CB 3.87Å |
| 8 | M | 50 | Low | 58.6 | Low | 188 Ų | 188 | 116.5 Ų | 116.5 | 93% | 0.926 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -85.1 | 9.5 | 153.4 | -71.2 | -174.7 | 172.8 | 0 | 0 | 112 | ||
| 9 | A | 51.2 | Low | 59.7 | Low | 50 Ų | 50 | 112.8 Ų | 112.8 | 41% | 0.413 | 64% | 0.638 | S | S | . | * | trans | -76.4 | -36.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A7 K11 M12 D13 | A7-A9 HydrophobicContact CB-CB 3.87Å; A9-K11 PolarHBondContact O-N 2.96Å; A9-M12 PolarHBondContact O-N 2.94Å; A9-D13 PolarHBondContact O-N 3.47Å | ||
| 10 | D | 58.6 | Low | 60.5 | Low | 102 Ų | 102 | 111.5 Ų | 111.5 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -54.2 | -21.5 | -175.2 | -65.9 | -102.7 | 0 | 0 | 0 | 114.8 | M14 | D10-M14 WeakPolarHBondContact O-CB 3.06Å; D10-M14 WeakPolarHBondContact O-CG 3.43Å; D10-M14 PolarHBondContact O-N 3.37Å |
| 11 | K | 58 | Low | 61.2 | Low | 142 Ų | 142 | 112 Ų | 112 | 62% | 0.617 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -86.2 | -11.4 | 179.7 | -142.9 | 170.9 | -172.2 | 175 | 0 | 114.4 | A9 I19 | A9-K11 PolarHBondContact O-N 2.96Å; K11-I19 WeakPolarHBondContact O-CD1 3.3Å |
| 12 | M | 67.8 | Low | 62.7 | Low | 166 Ų | 166 | 104.3 Ų | 104.3 | 82% | 0.818 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -98.1 | -32.3 | 177.3 | -58.5 | -64.4 | -85.1 | 0 | 0 | 111.5 | A9 | A9-M12 PolarHBondContact O-N 2.94Å |
| 13 | D | 70.6 | Confident | 63.7 | Low | 144 Ų | 144 | 103.6 Ų | 103.6 | 77% | 0.77 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -86.1 | -10.2 | 174.9 | -64.2 | -59.9 | 0 | 0 | 0 | 113.5 | A9 | A9-D13 PolarHBondContact O-N 3.47Å |
| 14 | M | 71.3 | Confident | 64.8 | Low | 81 Ų | 81 | 106.1 Ų | 106.1 | 40% | 0.399 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -73.8 | 138.9 | 173.3 | -92.3 | -177.6 | 173.7 | 0 | 0 | 112.7 | D10 I19 | D10-M14 WeakPolarHBondContact O-CB 3.06Å; D10-M14 WeakPolarHBondContact O-CG 3.43Å; D10-M14 PolarHBondContact O-N 3.37Å; M14-I19 HydrophobicContact CB-CD1 4.24Å; M14-I19 HydrophobicContact CB-CG1 3.82Å |
| 15 | S | 78.6 | Confident | 65.6 | Low | 53 Ų | 53 | 105.2 Ų | 105.2 | 37% | 0.371 | 57% | 0.569 | S | S | . | * | trans | -62 | 148.2 | 171.8 | 86.3 | 0 | 0 | 0 | 0 | 111.3 | D17 D18 I19 | S15-D17 PolarHBondContact O-N 3.45Å; S15-D17 VanDerWaalsContact O-N 3.17Å; S15-D18 PolarHBondContact O-N 3Å; S15-D18 PolarHBondContact OG-N 3.19Å; S15-D18 PolarHBondContact OG-OD2 3.48Å; S15-I19 WeakPolarHBondContact O-CG1 3.31Å; S15-I19 PolarHBondContact O-N 3Å | ||
| 16 | L | 68.6 | Low | 66.1 | Low | 131 Ų | 131 | 108.3 Ų | 108.3 | 69% | 0.686 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -55.8 | -35.5 | 178.7 | -167.7 | 72.8 | 0 | 0 | 0 | 111.8 | I20 | L16-I20 HydrophobicContact CG-CD1 4.18Å; L16-I20 WeakPolarHBondContact O-CB 3.34Å; L16-I20 WeakPolarHBondContact O-CD1 3.12Å; L16-I20 VanDerWaalsContact O-CG1 3.23Å; L16-I20 WeakPolarHBondContact O-CG1 3.41Å; L16-I20 PolarHBondContact O-N 2.67Å |
| 17 | D | 69.1 | Low | 66.5 | Low | 107 Ų | 107 | 113.1 Ų | 113.1 | 57% | 0.572 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.2 | -37.1 | 176.1 | -71.9 | -61.5 | 0 | 0 | 0 | 112.9 | S15 I20 K21 | S15-D17 PolarHBondContact O-N 3.45Å; S15-D17 VanDerWaalsContact O-N 3.17Å; D17-I20 PolarHBondContact O-N 3.19Å; D17-K21 VanDerWaalsContact O-CG 3.24Å; D17-K21 WeakPolarHBondContact O-CG 3.34Å; D17-K21 PolarHBondContact O-N 3.43Å |
| 18 | D | 78.3 | Confident | 66.6 | Low | 65 Ų | 65 | 113.1 Ų | 113.1 | 35% | 0.348 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -77.4 | -34.7 | 179.4 | -60.5 | -42.6 | 0 | 0 | 0 | 111.8 | S15 I20 K21 L22 | S15-D18 PolarHBondContact O-N 3Å; S15-D18 PolarHBondContact OG-N 3.19Å; S15-D18 PolarHBondContact OG-OD2 3.48Å; D18-I20 VanDerWaalsContact C-N 3.31Å; D18-I20 PolarHBondContact O-N 2.93Å; D18-K21 PolarHBondContact O-N 3.04Å; D18-K21 IonicContact OD1-NZ 3.45Å; D18-K21 PolarHBondContact OD1-NZ 3.36Å; D18-L22 VanDerWaalsContact O-CB 3.31Å; D18-L22 WeakPolarHBondContact O-CB 3.24Å; D18-L22 PolarHBondContact O-N 2.88Å |
| 19 | I | 79.9 | Confident | 66.3 | Low | 47 Ų | 47 | 107.4 Ų | 107.4 | 24% | 0.241 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -60.5 | -42.1 | 169.1 | -61.1 | 171.7 | 0 | 0 | 0 | 110.4 | K11 M14 S15 N23 | K11-I19 WeakPolarHBondContact O-CD1 3.3Å; M14-I19 HydrophobicContact CB-CD1 4.24Å; M14-I19 HydrophobicContact CB-CG1 3.82Å; S15-I19 WeakPolarHBondContact O-CG1 3.31Å; S15-I19 PolarHBondContact O-N 3Å; I19-N23 WeakPolarHBondContact O-CB 3.46Å; I19-N23 PolarHBondContact O-N 2.87Å |
| 20 | I | 76.7 | Confident | 65.9 | Low | 85 Ų | 85 | 117.5 Ų | 117.5 | 44% | 0.436 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.1 | -40.5 | 177.3 | -70.5 | 166.2 | 0 | 0 | 0 | 111.6 | L16 D17 D18 R24 | L16-I20 HydrophobicContact CG-CD1 4.18Å; L16-I20 WeakPolarHBondContact O-CB 3.34Å; L16-I20 WeakPolarHBondContact O-CD1 3.12Å; L16-I20 VanDerWaalsContact O-CG1 3.23Å; L16-I20 WeakPolarHBondContact O-CG1 3.41Å; L16-I20 PolarHBondContact O-N 2.67Å; D17-I20 PolarHBondContact O-N 3.19Å; D18-I20 VanDerWaalsContact C-N 3.31Å; D18-I20 PolarHBondContact O-N 2.93Å; I20-R24 VanDerWaalsContact O-CB 3.23Å; I20-R24 WeakPolarHBondContact O-CB 3.48Å; I20-R24 PolarHBondContact O-N 3.31Å |
| 21 | K | 74.1 | Confident | 64.8 | Low | 122 Ų | 122 | 116.6 Ų | 116.6 | 53% | 0.53 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.8 | -46.3 | 175.1 | -72 | 166.3 | -150.5 | 156.3 | 0 | 111.7 | D17 D18 N23 R24 S25 | D17-K21 VanDerWaalsContact O-CG 3.24Å; D17-K21 WeakPolarHBondContact O-CG 3.34Å; D17-K21 PolarHBondContact O-N 3.43Å; D18-K21 PolarHBondContact O-N 3.04Å; D18-K21 IonicContact OD1-NZ 3.45Å; D18-K21 PolarHBondContact OD1-NZ 3.36Å; K21-N23 PolarHBondContact O-N 3.45Å; K21-R24 WeakPolarHBondContact O-CB 3.23Å; K21-R24 PolarHBondContact O-N 3.45Å; K21-S25 PolarHBondContact O-N 2.92Å; K21-S25 PolarHBondContact O-OG 3.37Å |
| 22 | L | 73.1 | Confident | 63.8 | Low | 81 Ų | 81 | 113.5 Ų | 113.5 | 42% | 0.424 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.8 | -42.8 | 178.5 | -173.2 | 70 | 0 | 0 | 0 | 111.5 | D18 R24 S25 Q26 | D18-L22 VanDerWaalsContact O-CB 3.31Å; D18-L22 WeakPolarHBondContact O-CB 3.24Å; D18-L22 PolarHBondContact O-N 2.88Å; L22-R24 VanDerWaalsContact C-N 3.33Å; L22-S25 PolarHBondContact O-N 3.46Å; L22-S25 PolarHBondContact O-OG 2.92Å; L22-Q26 WeakPolarHBondContact O-CB 3.4Å; L22-Q26 WeakPolarHBondContact O-CG 3.42Å; L22-Q26 PolarHBondContact O-N 2.79Å |
| 23 | N | 71.9 | Confident | 62.4 | Low | 106 Ų | 106 | 109.4 Ų | 109.4 | 57% | 0.567 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -72.7 | -28 | 177.9 | -151.9 | 3.1 | 0 | 0 | 0 | 112 | I19 K21 R27 | I19-N23 WeakPolarHBondContact O-CB 3.46Å; I19-N23 PolarHBondContact O-N 2.87Å; K21-N23 PolarHBondContact O-N 3.45Å; N23-R27 VanDerWaalsContact O-CB 3.3Å; N23-R27 WeakPolarHBondContact O-CB 3.49Å; N23-R27 PolarHBondContact O-N 2.88Å |
| 24 | R | 69.8 | Low | 60.7 | Low | 191 Ų | 191 | 114.3 Ų | 114.3 | 72% | 0.721 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.6 | -40.4 | 172.6 | -174.3 | 178.1 | -66 | -138.3 | 0.5 | 112.3 | I20 K21 L22 R27 G28 | I20-R24 VanDerWaalsContact O-CB 3.23Å; I20-R24 WeakPolarHBondContact O-CB 3.48Å; I20-R24 PolarHBondContact O-N 3.31Å; K21-R24 WeakPolarHBondContact O-CB 3.23Å; K21-R24 PolarHBondContact O-N 3.45Å; L22-R24 VanDerWaalsContact C-N 3.33Å; R24-R27 PolarHBondContact O-N 3.05Å; R24-G28 PolarHBondContact O-N 3.02Å |
| 25 | S | 62.6 | Low | 59.1 | Low | 73 Ų | 73 | 114.2 Ų | 114.2 | 51% | 0.51 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -71.4 | -35.7 | 174.6 | 59.2 | 0 | 0 | 0 | 0 | 112.4 | K21 L22 R27 | K21-S25 PolarHBondContact O-N 2.92Å; K21-S25 PolarHBondContact O-OG 3.37Å; L22-S25 PolarHBondContact O-N 3.46Å; L22-S25 PolarHBondContact O-OG 2.92Å; S25-R27 VanDerWaalsContact C-N 3.33Å; S25-R27 PolarHBondContact O-N 2.92Å |
| 26 | Q | 57.9 | Low | 57.1 | Low | 153 Ų | 153 | 123.4 Ų | 123.4 | 72% | 0.715 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -61 | -38.6 | 170.8 | -69.3 | -100 | 4.5 | 0 | 0 | 112.5 | L22 | L22-Q26 WeakPolarHBondContact O-CB 3.4Å; L22-Q26 WeakPolarHBondContact O-CG 3.42Å; L22-Q26 PolarHBondContact O-N 2.79Å |
| 27 | R | 57.5 | Low | 55.5 | Low | 230 Ų | 230 | 121.1 Ų | 121.1 | 87% | 0.868 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -87.8 | -6.6 | -176.4 | -155.3 | 172.8 | -166.2 | 176.8 | 6.1 | 114.7 | N23 R24 S25 | N23-R27 VanDerWaalsContact O-CB 3.3Å; N23-R27 WeakPolarHBondContact O-CB 3.49Å; N23-R27 PolarHBondContact O-N 2.88Å; R24-R27 PolarHBondContact O-N 3.05Å; S25-R27 VanDerWaalsContact C-N 3.33Å; S25-R27 PolarHBondContact O-N 2.92Å |
| 28 | G | 53.8 | Low | 53.9 | Low | 59 Ų | 59 | 127.5 Ų | 127.5 | 61% | 0.608 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -144.4 | 79.6 | -176 | 0 | 0 | 0 | 0 | 0 | 112.9 | R24 | R24-G28 PolarHBondContact O-N 3.02Š|
| 29 | G | 43.8 | Very low | 51.6 | Low | 68 Ų | 68 | 129.1 Ų | 129.1 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | trans | -170.9 | 31.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 30 | R | 43 | Very low | 49.3 | Very low | 261 Ų | 261 | 130.6 Ų | 130.6 | 99% | 0.985 | 74% | 0.743 | S | S | * | * | trans | -141.2 | 124.8 | 163.7 | -72.5 | -166.4 | 177.1 | 179.4 | 0.1 | 112.2 | ||||
| 31 | G | 35.2 | Very low | 47.4 | Very low | 84 Ų | 84 | 132.3 Ų | 132.3 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | 120.1 | 77.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 32 | G | 35.4 | Very low | 45.4 | Very low | 77 Ų | 77 | 135.9 Ų | 135.9 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | cis | 95.3 | 81.9 | 36.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 33 | G | 38.8 | Very low | 43.5 | Very low | 79 Ų | 79 | 135.4 Ų | 135.4 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | -71 | 154.4 | -164.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 34 | R | 35.3 | Very low | 41.6 | Very low | 247 Ų | 247 | 134 Ų | 134 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | trans | -140.2 | 101 | 158.9 | -71.1 | -171.3 | 176.7 | 167.2 | -0.2 | 109.2 | ||||
| 35 | G | 36.7 | Very low | 40 | Very low | 80 Ų | 80 | 137.1 Ų | 137.1 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -68.7 | 136 | 164 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 36 | R | 38.3 | Very low | 38.4 | Very low | 246 Ų | 246 | 137.2 Ų | 137.2 | 93% | 0.928 | 83% | 0.831 | S | S | * | * | trans | -142.8 | 103 | 157.5 | -77.5 | -166.2 | 173.1 | 177.2 | -2.6 | 108.6 | ||||
| 37 | G | 34.2 | Very low | 37.1 | Very low | 82 Ų | 82 | 134.1 Ų | 134.1 | 85% | 0.845 | 84% | 0.84 | S | S | * | * | trans | -78.8 | 134.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 38 | R | 34.7 | Very low | 35.7 | Very low | 241 Ų | 241 | 126.6 Ų | 126.6 | 91% | 0.909 | 83% | 0.834 | S | S | * | * | trans | -166.4 | 93.8 | 158.1 | -136.5 | 174.6 | -178.3 | -144.5 | -0.3 | 106.2 | ||||
| 39 | A | 30.7 | Very low | 34.7 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 83% | 0.826 | 84% | 0.841 | S | S | * | * | 71.6 | 114.3 | 79.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 40 | G | 31.5 | Very low | 34.1 | Very low | 77 Ų | 77 | 134 Ų | 134 | 79% | 0.794 | 85% | 0.85 | S | S | * | * | trans | 103 | 143.9 | 143.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 41 | S | 37.3 | Very low | 33.5 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 85% | 0.853 | 84% | 0.843 | S | S | * | * | trans | 64.4 | 118.3 | 168.1 | -123.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 42 | Q | 32.1 | Very low | 33.2 | Very low | 197 Ų | 197 | 125.8 Ų | 125.8 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | cis | 67.6 | 128.9 | 24.1 | -150.6 | 175.9 | 27.9 | 0 | 0 | 115.4 | ||||
| 43 | G | 33.7 | Very low | 32.9 | Very low | 71 Ų | 71 | 126.2 Ų | 126.2 | 73% | 0.732 | 83% | 0.826 | S | S | * | * | trans | 112.3 | 112.8 | -167 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 44 | G | 32.3 | Very low | 32.6 | Very low | 77 Ų | 77 | 132.2 Ų | 132.2 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | cis | 86.4 | 133.2 | 38.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 45 | R | 35.1 | Very low | 32.5 | Very low | 256 Ų | 256 | 127 Ų | 127 | 97% | 0.966 | 82% | 0.819 | S | S | * | * | cis | -146 | 166.2 | 13.1 | -64.9 | 153 | 179.1 | 176.2 | -2.4 | 105.9 | ||||
| 46 | G | 29.5 | Very low | 32.1 | Very low | 75 Ų | 75 | 127.2 Ų | 127.2 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | cis | 121.6 | 122.4 | 20.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 47 | G | 29.5 | Very low | 31.8 | Very low | 88 Ų | 88 | 126.8 Ų | 126.8 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | trans | 66.1 | 152.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 48 | G | 28.5 | Very low | 31.5 | Very low | 72 Ų | 72 | 126.8 Ų | 126.8 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | cis | 150.3 | 168.2 | 6.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 49 | A | 33 | Very low | 31.4 | Very low | 92 Ų | 92 | 119.4 Ų | 119.4 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | 65.2 | 112.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 50 | Q | 31.7 | Very low | 31.4 | Very low | 191 Ų | 191 | 118.3 Ų | 118.3 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | 62.3 | 108.9 | 70.8 | -63.5 | 177.2 | 16.6 | 0 | 0 | 114.1 | |||||
| 51 | A | 30.1 | Very low | 32 | Very low | 100 Ų | 100 | 120.5 Ų | 120.5 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | 175.9 | 129.9 | 126.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 52 | A | 28.7 | Very low | 32.1 | Very low | 71 Ų | 71 | 121.8 Ų | 121.8 | 59% | 0.587 | 80% | 0.8 | S | S | * | * | trans | 41.6 | 100.6 | 136.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 53 | A | 29.6 | Very low | 32.4 | Very low | 87 Ų | 87 | 124.1 Ų | 124.1 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | 72.1 | 170.2 | 113.7 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 54 | R | 31.9 | Very low | 32.5 | Very low | 204 Ų | 204 | 128 Ų | 128 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | 62.7 | 96.9 | 156.3 | 55.4 | -178.7 | 172.3 | -92.2 | -7.3 | 119.9 | ||||
| 55 | V | 32.8 | Very low | 32.6 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | 25.5 | 118.2 | 117.4 | 176.2 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 56 | S | 29.8 | Very low | 33.5 | Very low | 85 Ų | 85 | 128.5 Ų | 128.5 | 59% | 0.594 | 80% | 0.797 | S | S | * | * | 177.7 | 146.8 | 101 | -161.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 57 | R | 30.5 | Very low | 33.5 | Very low | 237 Ų | 237 | 129.9 Ų | 129.9 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | -1.9 | 139.6 | 155.7 | -70.6 | 167.1 | -86.3 | -166.8 | -10.7 | 120.1 | ||||
| 58 | G | 29.1 | Very low | 34.2 | Very low | 82 Ų | 82 | 133.4 Ų | 133.4 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | 177.5 | 113.8 | 146.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 59 | G | 31.7 | Very low | 34.5 | Very low | 86 Ų | 86 | 134.4 Ų | 134.4 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | 105.1 | 104.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 60 | G | 31.6 | Very low | 34.6 | Very low | 77 Ų | 77 | 141.8 Ų | 141.8 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -91 | -159.9 | 153 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 61 | P | 43.2 | Very low | 34.6 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | cis | -135.6 | 169.5 | 6.8 | 40.9 | -23.7 | 0 | 0 | 0 | 116.6 | ||||
| 62 | I | 40.1 | Very low | 34.8 | Very low | 148 Ų | 148 | 136.4 Ų | 136.4 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | 11.6 | 126.9 | 151.8 | -49.7 | -62.9 | 0 | 0 | 0 | 119.3 | ||||
| 63 | R | 37.2 | Very low | 35.1 | Very low | 246 Ų | 246 | 137.8 Ų | 137.8 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | -162.2 | 138.3 | 127.8 | -99.9 | 144.4 | -154.3 | -151.4 | 5.8 | 113 | |||||
| 64 | N | 35.8 | Very low | 35.3 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -82.6 | 152.6 | -179.3 | -162.9 | 6.4 | 0 | 0 | 0 | 110.8 | ||||
| 65 | R | 34.9 | Very low | 35.8 | Very low | 226 Ų | 226 | 132 Ų | 132 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | -22.6 | 170.4 | 172.9 | -95.2 | 180 | 167.4 | 175.6 | -3.1 | 119.7 | ||||
| 66 | P | 53.8 | Low | 36.3 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 76% | 0.76 | 83% | 0.831 | S | S | * | * | cis | -133.3 | 164.4 | -16.3 | 36.9 | -20.6 | 0 | 0 | 0 | 114.1 | ||||
| 67 | A | 31.1 | Very low | 37.1 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | trans | -147.9 | 142.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 68 | I | 42.8 | Very low | 38.2 | Very low | 162 Ų | 162 | 129.6 Ų | 129.6 | 83% | 0.831 | 84% | 0.841 | S | S | * | * | trans | -103.9 | 122.6 | -176.1 | -68.3 | 161.2 | 0 | 0 | 0 | 109.9 | ||||
| 69 | A | 35.8 | Very low | 39.4 | Very low | 94 Ų | 94 | 133.1 Ų | 133.1 | 78% | 0.777 | 84% | 0.84 | S | S | * | * | trans | -159.1 | 99 | 158.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 70 | R | 35.3 | Very low | 40.5 | Very low | 246 Ų | 246 | 140.3 Ų | 140.3 | 93% | 0.928 | 84% | 0.841 | S | S | * | * | 53.9 | 111.5 | 78.5 | -82.4 | -169.7 | -179.4 | 162.2 | 2.8 | 114.7 | |||||
| 71 | G | 31.4 | Very low | 41.7 | Very low | 81 Ų | 81 | 141.7 Ų | 141.7 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | trans | 134.9 | 111.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 72 | A | 33.4 | Very low | 42.6 | Very low | 97 Ų | 97 | 138.6 Ų | 138.6 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | cis | -151.6 | 159.8 | 5.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 73 | A | 34.6 | Very low | 43.6 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | 49.6 | 112.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 74 | G | 35.1 | Very low | 44.6 | Very low | 87 Ų | 87 | 136.4 Ų | 136.4 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | 74.4 | 125.5 | 156 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 75 | G | 41.3 | Very low | 45.9 | Very low | 82 Ų | 82 | 132.7 Ų | 132.7 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | cis | 112.3 | 73.7 | 26.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 76 | G | 44.6 | Very low | 46.9 | Very low | 88 Ų | 88 | 133.3 Ų | 133.3 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | 86.2 | 119.8 | 174 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 77 | G | 46.8 | Very low | 47.1 | Very low | 74 Ų | 74 | 133.1 Ų | 133.1 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | 163.9 | 31.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 78 | R | 52.4 | Low | 48.4 | Very low | 246 Ų | 246 | 137.7 Ų | 137.7 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -90.9 | -6.7 | 176.7 | -70.8 | -172.8 | -176.5 | 164.6 | 2.7 | 115.2 | ||
| 79 | N | 54.6 | Low | 48.9 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -121.1 | 23.4 | -171.2 | -70.4 | 8.7 | 0 | 0 | 0 | 114.8 | P81 | N79-P81 WeakPolarHBondContact O-CD 3.39Š|
| 80 | R | 54.1 | Low | 50 | Low | 237 Ų | 237 | 142.3 Ų | 142.3 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | trans | -97.1 | 107.7 | 166.9 | -114.2 | -177.7 | -179.1 | 176.9 | 0.9 | 109 | A82 | R80-A82 PolarHBondContact O-N 3.23Š| ||
| 81 | P | 58.2 | Low | 51.2 | Low | 106 Ų | 106 | 135.9 Ų | 135.9 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | trans | -62.2 | 138.5 | 172.1 | 26.2 | -32.6 | 0 | 0 | 0 | 109.3 | N79 | N79-P81 WeakPolarHBondContact O-CD 3.39Š| ||
| 82 | A | 62.3 | Low | 52.6 | Low | 60 Ų | 60 | 139.8 Ų | 139.8 | 50% | 0.496 | 81% | 0.806 | S | S | . | * | trans | -63.9 | 148.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | R80 Y84 S85 | R80-A82 PolarHBondContact O-N 3.23Å; A82-Y84 PolarHBondContact O-N 2.87Å; A82-S85 PolarHBondContact O-N 3.27Å | ||
| 83 | P | 60.7 | Low | 53.3 | Low | 124 Ų | 124 | 143.7 Ų | 143.7 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -3 | -167.5 | 23.5 | -34.6 | 0 | 0 | 0 | 116.1 | ||
| 84 | Y | 58 | Low | 54.4 | Low | 224 Ų | 224 | 150.7 Ų | 150.7 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.5 | 36.1 | 173.8 | -75.9 | -82.8 | 0 | 0 | 0 | 113 | A82 | A82-Y84 PolarHBondContact O-N 2.87Š|
| 85 | S | 63.8 | Low | 55.5 | Low | 74 Ų | 74 | 154.6 Ų | 154.6 | 52% | 0.517 | 81% | 0.805 | S | S | . | * | trans | -88.7 | 111 | 167.7 | -67.5 | 0 | 0 | 0 | 0 | 110.9 | A82 | A82-S85 PolarHBondContact O-N 3.27Š| ||
| 86 | R | 55.3 | Low | 55.7 | Low | 239 Ų | 239 | 157.8 Ų | 157.8 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 123.3 | 176.8 | -170.9 | 170.6 | -178.6 | 135.4 | -4.5 | 109.7 | K88 | R86-K88 PolarHBondContact O-N 2.78Š|
| 87 | P | 58.6 | Low | 56.3 | Low | 114 Ų | 114 | 160.6 Ų | 160.6 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 137.6 | -176.4 | 25.1 | -33.1 | 0 | 0 | 0 | 110.4 | ||
| 88 | K | 57.1 | Low | 56.7 | Low | 199 Ų | 199 | 163.7 Ų | 163.7 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 137.9 | 169.1 | -79.7 | 170.3 | 175.6 | 172.5 | 0 | 108.3 | R86 L90 | R86-K88 PolarHBondContact O-N 2.78Å; K88-L90 PolarHBondContact O-N 3.07Å; K88-L90 VanDerWaalsContact O-N 3.09Å |
| 89 | Q | 54.4 | Low | 56.5 | Low | 195 Ų | 195 | 159.8 Ų | 159.8 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | trans | -54.2 | 115.4 | -178.2 | -70.6 | 166.2 | -42.6 | 0 | 0 | 110 | ||||
| 90 | L | 57.2 | Low | 56.1 | Low | 159 Ų | 159 | 158.5 Ų | 158.5 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -77.4 | 131.3 | 167 | -78.1 | 144.3 | 0 | 0 | 0 | 107.5 | K88 | K88-L90 PolarHBondContact O-N 3.07Å; K88-L90 VanDerWaalsContact O-N 3.09Å | ||
| 91 | P | 61.5 | Low | 56.1 | Low | 111 Ų | 111 | 152.6 Ų | 152.6 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | trans | -62.8 | 156.2 | 175.1 | -22.3 | 33.7 | 0 | 0 | 0 | 112.6 | K93 | P91-K93 PolarHBondContact O-N 2.91Š| ||
| 92 | D | 60.5 | Low | 55.6 | Low | 163 Ų | 163 | 150.5 Ų | 150.5 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -58.3 | 26.5 | -174.8 | -86.5 | -68.2 | 0 | 0 | 0 | 118.6 | ||
| 93 | K | 48.5 | Very low | 54.6 | Low | 178 Ų | 178 | 157.8 Ų | 157.8 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | trans | -101.8 | 111.6 | 168.2 | -94.7 | 127.8 | 64.1 | 179.9 | 0 | 110.6 | P91 Q95 | P91-K93 PolarHBondContact O-N 2.91Å; K93-Q95 VanDerWaalsContact C-N 3.28Å; K93-Q95 PolarHBondContact O-N 3.42Å | ||
| 94 | W | 57.6 | Low | 54 | Low | 249 Ų | 249 | 156 Ų | 156 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | trans | -60 | 86.2 | 168.1 | -69.7 | 57.5 | 0 | 0 | 0 | 110 | ||||
| 95 | Q | 57.8 | Low | 53.3 | Low | 169 Ų | 169 | 149.4 Ų | 149.4 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -85.3 | 120.1 | 164.1 | -64.2 | -157.1 | 104.5 | 0 | 0 | 107.7 | K93 D97 | K93-Q95 VanDerWaalsContact C-N 3.28Å; K93-Q95 PolarHBondContact O-N 3.42Å; Q95-D97 PolarHBondContact O-N 2.87Å | ||
| 96 | H | 46.8 | Very low | 52.1 | Low | 148 Ų | 148 | 148.5 Ų | 148.5 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | -84.7 | 107.5 | -174.8 | -165.3 | -137.1 | 0 | 0 | 0 | 108.8 | L98 F99 | H96-L98 PolarHBondContact O-N 3.46Å; H96-F99 PolarHBondContact O-N 3.38Å | ||
| 97 | D | 55.9 | Low | 51.6 | Low | 147 Ų | 147 | 142.8 Ų | 142.8 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -59.5 | 4.1 | -174.8 | -62.8 | -35.9 | 0 | 0 | 0 | 115.5 | Q95 F99 | Q95-D97 PolarHBondContact O-N 2.87Å; D97-F99 PolarHBondContact O-N 2.58Å |
| 98 | L | 55.8 | Low | 51.1 | Low | 140 Ų | 140 | 140.9 Ų | 140.9 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | G | 310 helix | trans | -67.2 | -8.1 | 168.2 | -90 | 70.2 | 0 | 0 | 0 | 113.4 | H96 | H96-L98 PolarHBondContact O-N 3.46Š|
| 99 | F | 48.8 | Very low | 51 | Low | 163 Ų | 163 | 136.8 Ų | 136.8 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -140.1 | 38.6 | -177.7 | -153.8 | -105.1 | 0 | 0 | 0 | 115.9 | H96 D97 T111 | H96-F99 PolarHBondContact O-N 3.38Å; D97-F99 PolarHBondContact O-N 2.58Å; F99-T111 HydrophobicContact CE2-CG2 3.41Å; F99-T111 VanDerWaalsContact CE2-CG2 3.41Å; F99-T111 HydrophobicContact CZ-CG2 3.77Å |
| 100 | D | 44.6 | Very low | 51.1 | Low | 129 Ų | 129 | 132.3 Ų | 132.3 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -113.6 | 94.8 | 163.7 | -161.7 | 34.3 | 0 | 0 | 0 | 113.4 | G102 | D100-G102 PolarHBondContact O-N 2.8Š|
| 101 | S | 54.8 | Low | 51.4 | Low | 114 Ų | 114 | 129 Ų | 129 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 49.2 | 55.6 | 132.9 | -43.5 | 0 | 0 | 0 | 0 | 118.9 | ||
| 102 | G | 47.8 | Very low | 52 | Low | 61 Ų | 61 | 124.3 Ų | 124.3 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | trans | -150.9 | -1.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | D100 | D100-G102 PolarHBondContact O-N 2.8Š| ||
| 103 | F | 40.7 | Very low | 53.2 | Low | 214 Ų | 214 | 116.7 Ų | 116.7 | 94% | 0.939 | 69% | 0.687 | S | S | * | * | trans | -138.4 | 117.8 | -175.5 | -77.4 | -87.1 | 0 | 0 | 0 | 113.7 | ||||
| 104 | G | 48.8 | Very low | 55.2 | Low | 85 Ų | 85 | 110.9 Ų | 110.9 | 88% | 0.876 | 66% | 0.662 | S | S | * | * | trans | -86.5 | 139.8 | 158 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 105 | G | 43.3 | Very low | 56.8 | Low | 86 Ų | 86 | 99 Ų | 99 | 89% | 0.887 | 62% | 0.617 | S | S | * | * | trans | 131 | 74.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 106 | G | 37.7 | Very low | 58.4 | Low | 56 Ų | 56 | 93.3 Ų | 93.3 | 58% | 0.577 | 59% | 0.591 | S | S | * | * | trans | -172.4 | 51.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G108 V109 | G106-G108 PolarHBondContact O-N 3.3Å; G106-V109 PolarHBondContact O-N 3.43Å | ||
| 107 | A | 44.7 | Very low | 60.6 | Low | 119 Ų | 119 | 86.3 Ų | 86.3 | 98% | 0.983 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 95.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 108 | G | 49.7 | Very low | 62.2 | Low | 73 Ų | 73 | 80.4 Ų | 80.4 | 75% | 0.753 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 144.6 | -19.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | G106 | G106-G108 PolarHBondContact O-N 3.3Š|
| 109 | V | 53.2 | Low | 63.9 | Low | 113 Ų | 113 | 77.2 Ų | 77.2 | 69% | 0.685 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -92.3 | 105.6 | 168.7 | 178.6 | 0 | 0 | 0 | 0 | 108 | G106 T111 | G106-V109 PolarHBondContact O-N 3.43Å; V109-T111 PolarHBondContact O-N 3.49Å |
| 110 | E | 57.4 | Low | 65.8 | Low | 102 Ų | 102 | 69.6 Ų | 69.6 | 48% | 0.477 | 48% | 0.479 | S | S | . | . | trans | -68.8 | 94 | 177 | -60.6 | -173.4 | 130.1 | 0 | 0 | 110.1 | G112 H159 | E110-G112 PolarHBondContact O-N 3.36Å; E110-H159 IonicContact OE1-CD2 2.9Å; E110-H159 IonicContact OE2-CD2 3.73Å; E110-H159 PolarHBondContact OE2-CD2 2.74Å; E110-H159 IonicContact OE2-NE2 2.94Å | ||
| 111 | T | 63.8 | Low | 67.9 | Low | 88 Ų | 88 | 65.6 Ų | 65.6 | 54% | 0.54 | 46% | 0.458 | S | S | . | . | trans | -59.8 | -5.2 | 167.9 | -46.3 | 0 | 0 | 0 | 0 | 113.3 | F99 V109 | F99-T111 HydrophobicContact CE2-CG2 3.41Å; F99-T111 VanDerWaalsContact CE2-CG2 3.41Å; F99-T111 HydrophobicContact CZ-CG2 3.77Å; V109-T111 PolarHBondContact O-N 3.49Å | ||
| 112 | G | 73.2 | Confident | 69.4 | Low | 14 Ų | 14 | 65.7 Ų | 65.7 | 14% | 0.144 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -68.5 | 167.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E110 F160 E161 | E110-G112 PolarHBondContact O-N 3.36Å; G112-F160 CarbonylContact C-O 3.58Å; G112-F160 WeakPolarHBondContact CA-O 3.38Å; G112-E161 WeakPolarHBondContact CA-O 3.38Å |
| 113 | G | 85.6 | Confident | 71.3 | Confident | 2 Ų | 2 | 65.7 Ų | 65.7 | 2% | 0.021 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 116.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | F160 | G113-F160 PolarHBondContact N-O 3.31Å; G113-F160 WeakPolarHBondContact O-CB 3.41Å; G113-F160 PolarHBondContact O-N 2.98Å |
| 114 | K | 91.1 | Very high | 73.5 | Confident | 57 Ų | 57 | 55.8 Ų | 55.8 | 25% | 0.248 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 126.1 | 168.6 | -175.7 | 177.6 | -175.4 | 139.5 | 0 | 109.8 | V158 H159 V188 | K114-V158 CarbonylContact C-O 3.56Å; K114-V158 WeakPolarHBondContact CA-O 3.26Å; K114-H159 VanDerWaalsContact CD-NE2 3.34Å; K114-H159 WeakPolarHBondContact CD-NE2 3.23Å; K114-H159 WeakPolarHBondContact CE-NE2 3.31Å; K114-H159 PolarHBondContact NZ-CE1 2.88Å; K114-H159 PolarHBondContact NZ-NE2 3.07Å; K114-V188 HydrophobicContact CB-CB 4.21Å; K114-V188 HydrophobicContact CD-CB 4.1Å; K114-V188 HydrophobicContact CD-CG1 4.07Å; K114-V188 HydrophobicContact CG-CB 4.01Å; K114-V188 PolarHBondContact O-N 3.36Å |
| 115 | L | 91 | Very high | 75.4 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 142 | 168.2 | -58.2 | -174.7 | 0 | 0 | 0 | 109.5 | F133 V158 F160 A166 A169 M170 I185 Q186 L187 | L115-F133 HydrophobicContact CD1-CE1 4.29Å; L115-V158 HydrophobicContact CB-CB 4.42Å; L115-V158 PolarHBondContact N-O 2.74Å; L115-V158 PolarHBondContact O-N 3.14Å; L115-F160 HydrophobicContact CD1-CD2 4.24Å; L115-F160 HydrophobicContact CD1-CE2 3.61Å; L115-F160 HydrophobicContact CG-CD2 4.28Å; L115-F160 HydrophobicContact CG-CE2 4.1Å; L115-A166 HydrophobicContact CD1-CB 4.3Å; L115-A166 HydrophobicContact CD2-CB 3.88Å; L115-A166 HydrophobicContact CG-CB 3.98Å; L115-A169 HydrophobicContact CD1-CB 4.02Å; L115-M170 HydrophobicContact CD2-CB 4.33Å; L115-I185 HydrophobicContact CB-CG2 4.18Å; L115-I185 HydrophobicContact CD1-CG2 3.79Å; L115-I185 HydrophobicContact CD2-CG2 4.27Å; L115-I185 HydrophobicContact CG-CG2 4.31Å; L115-Q186 CarbonylContact C-O 3.5Å; L115-Q186 WeakPolarHBondContact CA-O 3.39Å; L115-L187 HydrophobicContact CD2-CB 4.18Å; L115-L187 HydrophobicContact CD2-CD1 3.8Å |
| 116 | L | 92.4 | Very high | 77.7 | Confident | 49 Ų | 49 | 53.1 Ų | 53.1 | 26% | 0.257 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 122.7 | 161.5 | 178.5 | 71.5 | 0 | 0 | 0 | 107.3 | Q186 V188 | L116-Q186 PolarHBondContact N-O 3.03Å; L116-Q186 PolarHBondContact O-N 3.21Å; L116-V188 HydrophobicContact CB-CG2 3.52Å |
| 117 | V | 91.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 134.7 | 175.4 | -170.9 | 0 | 0 | 0 | 0 | 107.8 | L120 F133 T155 A156 V158 M183 N184 I185 | V117-L120 HydrophobicContact CB-CD1 4.36Å; V117-L120 HydrophobicContact CG1-CD1 3.94Å; V117-L120 HydrophobicContact CG1-CD2 3.72Å; V117-L120 HydrophobicContact CG1-CG 3.88Å; V117-F133 HydrophobicContact CG2-CE2 3.92Å; V117-F133 HydrophobicContact CG2-CZ 3.71Å; V117-T155 CarbonylContact O-C 3.59Å; V117-T155 WeakPolarHBondContact O-CA 3.32Å; V117-A156 HydrophobicContact CB-CB 4.35Å; V117-A156 PolarHBondContact N-O 3.2Å; V117-A156 PolarHBondContact O-N 3.45Å; V117-V158 HydrophobicContact CG2-CG2 4.07Å; V117-M183 HydrophobicContact CG1-CG 3.41Å; V117-M183 VanDerWaalsContact CG1-CG 3.41Å; V117-M183 HydrophobicContact CG1-SD 3.39Å; V117-M183 WeakPolarHBondContact CG1-SD 3.29Å; V117-N184 CarbonylContact C-O 3.58Å; V117-N184 WeakPolarHBondContact CA-O 3.01Å; V117-I185 HydrophobicContact CG1-CG1 4.37Å |
| 118 | S | 91.2 | Very high | 82.4 | Confident | 23 Ų | 23 | 50.8 Ų | 50.8 | 16% | 0.161 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 158.8 | -175.8 | -63.3 | 0 | 0 | 0 | 0 | 111.3 | L120 G154 N184 | S118-L120 VanDerWaalsContact C-N 3.33Å; S118-G154 CarbonylContact C-O 3.49Å; S118-N184 PolarHBondContact N-O 2.97Å; S118-N184 PolarHBondContact O-N 3.24Å |
| 119 | N | 90.8 | Very high | 84.3 | Confident | 73 Ų | 73 | 47.3 Ų | 47.3 | 39% | 0.39 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 63.1 | 34.5 | -177.1 | -163.1 | 56.7 | 0 | 0 | 0 | 114.1 | G154 P182 | N119-G154 PolarHBondContact N-O 3.43Å; N119-P182 PolarHBondContact ND2-O 3.06Å |
| 120 | L | 88.4 | Confident | 86.2 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | trans | -70 | 159.9 | 169 | -63.4 | 169.9 | 0 | 0 | 0 | 111 | V117 S118 I129 G154 A156 L178 R181 M183 | V117-L120 HydrophobicContact CB-CD1 4.36Å; V117-L120 HydrophobicContact CG1-CD1 3.94Å; V117-L120 HydrophobicContact CG1-CD2 3.72Å; V117-L120 HydrophobicContact CG1-CG 3.88Å; S118-L120 VanDerWaalsContact C-N 3.33Å; L120-I129 HydrophobicContact CD1-CD1 3.78Å; L120-I129 HydrophobicContact CD1-CG1 4.38Å; L120-I129 HydrophobicContact CD2-CD1 3.92Å; L120-G154 PolarHBondContact N-O 2.72Å; L120-A156 HydrophobicContact CD1-CB 3.77Å; L120-L178 HydrophobicContact CD2-CD2 3.99Å; L120-R181 PolarHBondContact O-NH1 3.34Å; L120-M183 HydrophobicContact CD2-CE 3.69Å; L120-M183 HydrophobicContact CD2-CG 3.98Å; L120-M183 HydrophobicContact CD2-SD 4.15Å | ||
| 121 | D | 89 | Confident | 87.8 | Confident | 46 Ų | 46 | 49.4 Ų | 49.4 | 25% | 0.246 | 28% | 0.28 | C | S | . | . | trans | -73.3 | 160.7 | 165.6 | -172.3 | -100.9 | 0 | 0 | 0 | 111.6 | G123 V124 D179 | D121-G123 PolarHBondContact OD1-N 3.49Å; D121-V124 HydrophobicContact CB-CG2 4.12Å; D121-D179 HydrophobicContact CB-CB 4.03Å | ||
| 122 | F | 86.9 | Confident | 89 | Confident | 115 Ų | 115 | 47.2 Ų | 47.2 | 50% | 0.504 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -24.2 | -179.7 | -58.3 | -63.9 | 0 | 0 | 0 | 113.7 | V124 S152 | F122-V124 VanDerWaalsContact C-N 3.32Å; F122-S152 WeakPolarHBondContact CD1-O 3.22Å; F122-S152 WeakPolarHBondContact CE1-O 3.5Å; F122-S152 PolarHBondContact O-OG 2.82Å |
| 123 | G | 86.4 | Confident | 89.7 | Confident | 62 Ų | 62 | 46.6 Ų | 46.6 | 64% | 0.639 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -15.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D121 S125 | D121-G123 PolarHBondContact OD1-N 3.49Å; G123-S125 PolarHBondContact O-N 3.45Å |
| 124 | V | 87.1 | Confident | 89.9 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.03 | 28% | 0.279 | C | S | . | . | trans | -71.8 | 123.5 | -176.8 | -176.2 | 0 | 0 | 0 | 0 | 110.9 | D121 F122 D128 I129 L178 | D121-V124 HydrophobicContact CB-CG2 4.12Å; F122-V124 VanDerWaalsContact C-N 3.32Å; V124-D128 HydrophobicContact CG1-CB 4.08Å; V124-I129 HydrophobicContact CG1-CD1 3.71Å; V124-I129 HydrophobicContact CG1-CG1 3.72Å; V124-L178 HydrophobicContact CG1-CD2 4.22Å; V124-L178 HydrophobicContact CG2-CD2 3.83Å; V124-L178 HydrophobicContact CG2-CG 4.49Å | ||
| 125 | S | 89.4 | Confident | 89.9 | Confident | 34 Ų | 34 | 53.8 Ų | 53.8 | 24% | 0.238 | 30% | 0.301 | C | S | . | . | trans | -93.6 | 171.5 | 177.7 | 74 | 0 | 0 | 0 | 0 | 113.1 | G123 A127 D128 I129 | G123-S125 PolarHBondContact O-N 3.45Å; S125-A127 VanDerWaalsContact C-N 3.26Å; S125-A127 PolarHBondContact O-N 3.23Å; S125-A127 PolarHBondContact OG-N 2.63Å; S125-D128 WeakPolarHBondContact CA-OD2 3.45Å; S125-D128 VanDerWaalsContact CB-OD2 3.27Å; S125-D128 WeakPolarHBondContact CB-OD2 3.32Å; S125-D128 PolarHBondContact N-OD2 3.45Å; S125-D128 PolarHBondContact O-N 2.97Å; S125-D128 VanDerWaalsContact OG-CG 3.24Å; S125-D128 PolarHBondContact OG-N 2.94Å; S125-D128 PolarHBondContact OG-OD2 3.17Å; S125-I129 PolarHBondContact O-N 2.85Å | ||
| 126 | D | 91 | Very high | 89.6 | Confident | 82 Ų | 82 | 55.6 Ų | 55.6 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.7 | -31.7 | 171.8 | 59.7 | -71.3 | 0 | 0 | 0 | 112.7 | Q130 V144 | D126-Q130 VanDerWaalsContact O-CB 3.32Å; D126-Q130 WeakPolarHBondContact O-CB 3.48Å; D126-Q130 PolarHBondContact O-N 2.8Å; D126-V144 HydrophobicContact CB-CG2 4.45Å |
| 127 | A | 91.3 | Very high | 89.3 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 37% | 0.372 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.8 | -45.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S125 I129 Q130 E131 | S125-A127 VanDerWaalsContact C-N 3.26Å; S125-A127 PolarHBondContact O-N 3.23Å; S125-A127 PolarHBondContact OG-N 2.63Å; A127-I129 VanDerWaalsContact C-N 3.34Å; A127-I129 PolarHBondContact O-N 2.74Å; A127-Q130 WeakPolarHBondContact O-CB 3.43Å; A127-Q130 PolarHBondContact O-N 2.58Å; A127-Q130 VanDerWaalsContact O-N 3.07Å; A127-E131 PolarHBondContact O-N 3.23Å |
| 128 | D | 90.3 | Very high | 89.1 | Confident | 80 Ų | 80 | 57.4 Ų | 57.4 | 43% | 0.428 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 179.5 | -53 | -56.3 | 0 | 0 | 0 | 111.4 | V124 S125 E131 L132 | V124-D128 HydrophobicContact CG1-CB 4.08Å; S125-D128 WeakPolarHBondContact CA-OD2 3.45Å; S125-D128 VanDerWaalsContact CB-OD2 3.27Å; S125-D128 WeakPolarHBondContact CB-OD2 3.32Å; S125-D128 PolarHBondContact N-OD2 3.45Å; S125-D128 PolarHBondContact O-N 2.97Å; S125-D128 VanDerWaalsContact OG-CG 3.24Å; S125-D128 PolarHBondContact OG-N 2.94Å; S125-D128 PolarHBondContact OG-OD2 3.17Å; D128-E131 PolarHBondContact O-N 3.34Å; D128-L132 VanDerWaalsContact O-CB 3.23Å; D128-L132 WeakPolarHBondContact O-CB 3.39Å; D128-L132 PolarHBondContact O-N 3.34Å |
| 129 | I | 90.1 | Very high | 89 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 173.3 | -66.4 | -62.4 | 0 | 0 | 0 | 110.7 | L120 V124 S125 A127 F133 A142 V144 A156 V158 | L120-I129 HydrophobicContact CD1-CD1 3.78Å; L120-I129 HydrophobicContact CD1-CG1 4.38Å; L120-I129 HydrophobicContact CD2-CD1 3.92Å; V124-I129 HydrophobicContact CG1-CD1 3.71Å; V124-I129 HydrophobicContact CG1-CG1 3.72Å; S125-I129 PolarHBondContact O-N 2.85Å; A127-I129 VanDerWaalsContact C-N 3.34Å; A127-I129 PolarHBondContact O-N 2.74Å; I129-F133 HydrophobicContact CD1-CE2 4.33Å; I129-F133 HydrophobicContact CG2-CD2 3.83Å; I129-F133 HydrophobicContact CG2-CE2 4.18Å; I129-F133 WeakPolarHBondContact O-CB 3.27Å; I129-F133 VanDerWaalsContact O-CD2 3.32Å; I129-F133 WeakPolarHBondContact O-CD2 3.16Å; I129-F133 PolarHBondContact O-N 3.05Å; I129-F133 VanDerWaalsContact O-N 3.1Å; I129-A142 HydrophobicContact CG2-CB 4.02Å; I129-V144 HydrophobicContact CG1-CG2 4.01Å; I129-A156 HydrophobicContact CG1-CB 4.49Å; I129-V158 HydrophobicContact CG2-CG2 3.62Å |
| 130 | Q | 91.4 | Very high | 89 | Confident | 108 Ų | 108 | 60.9 Ų | 60.9 | 51% | 0.505 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 178.3 | -177.6 | 174.7 | -39.6 | 0 | 0 | 111.7 | D126 A127 A134 L139 A142 | D126-Q130 VanDerWaalsContact O-CB 3.32Å; D126-Q130 WeakPolarHBondContact O-CB 3.48Å; D126-Q130 PolarHBondContact O-N 2.8Å; A127-Q130 WeakPolarHBondContact O-CB 3.43Å; A127-Q130 PolarHBondContact O-N 2.58Å; A127-Q130 VanDerWaalsContact O-N 3.07Å; Q130-A134 WeakPolarHBondContact O-CB 3.49Å; Q130-A134 PolarHBondContact O-N 2.9Å; Q130-L139 HydrophobicContact CG-CD2 4.46Å; Q130-A142 HydrophobicContact CB-CB 4.22Å |
| 131 | E | 91.3 | Very high | 89 | Confident | 151 Ų | 151 | 66.3 Ų | 66.3 | 71% | 0.706 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65.6 | -49.3 | 178.4 | -70.4 | -171.7 | -178.5 | 0 | 0 | 111.9 | A127 D128 F133 A134 | A127-E131 PolarHBondContact O-N 3.23Å; D128-E131 PolarHBondContact O-N 3.34Å; E131-F133 VanDerWaalsContact C-N 3.34Å; E131-F133 PolarHBondContact O-N 3.08Å; E131-A134 PolarHBondContact O-N 2.89Å |
| 132 | L | 89.1 | Confident | 89.1 | Confident | 43 Ų | 43 | 65 Ų | 65 | 23% | 0.225 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.1 | -44.8 | -179.8 | -176.9 | 70.5 | 0 | 0 | 0 | 112.4 | D128 Y173 L178 M183 | D128-L132 VanDerWaalsContact O-CB 3.23Å; D128-L132 WeakPolarHBondContact O-CB 3.39Å; D128-L132 PolarHBondContact O-N 3.34Å; L132-Y173 HydrophobicContact CD1-CE1 4.36Å; L132-Y173 HydrophobicContact CD1-CE2 3.79Å; L132-Y173 VanDerWaalsContact CD1-OH 3.26Å; L132-Y173 WeakPolarHBondContact CD1-OH 3.4Å; L132-Y173 HydrophobicContact CD2-CE2 4.26Å; L132-Y173 HydrophobicContact CG-CD2 4.36Å; L132-Y173 HydrophobicContact CG-CE2 3.64Å; L132-L178 HydrophobicContact CD2-CD2 4.43Å; L132-M183 HydrophobicContact CD2-CE 3.69Å |
| 133 | F | 89 | Confident | 89.3 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -83.2 | -19 | -178.2 | -77.5 | -78.1 | 0 | 0 | 0 | 113.4 | L115 V117 I129 E131 E135 F136 L139 V158 F160 A169 Y173 M183 I185 | L115-F133 HydrophobicContact CD1-CE1 4.29Å; V117-F133 HydrophobicContact CG2-CE2 3.92Å; V117-F133 HydrophobicContact CG2-CZ 3.71Å; I129-F133 HydrophobicContact CD1-CE2 4.33Å; I129-F133 HydrophobicContact CG2-CD2 3.83Å; I129-F133 HydrophobicContact CG2-CE2 4.18Å; I129-F133 WeakPolarHBondContact O-CB 3.27Å; I129-F133 VanDerWaalsContact O-CD2 3.32Å; I129-F133 WeakPolarHBondContact O-CD2 3.16Å; I129-F133 PolarHBondContact O-N 3.05Å; I129-F133 VanDerWaalsContact O-N 3.1Å; E131-F133 VanDerWaalsContact C-N 3.34Å; E131-F133 PolarHBondContact O-N 3.08Å; F133-E135 PolarHBondContact O-N 2.96Å; F133-F136 PolarHBondContact O-N 3.24Å; F133-F136 VanDerWaalsContact O-N 3.14Å; F133-L139 VanDerWaalsContact C-CD1 3.49Å; F133-L139 HydrophobicContact CB-CD1 4.07Å; F133-L139 HydrophobicContact CB-CD2 4Å; F133-L139 WeakPolarHBondContact O-CD1 3.11Å; F133-V158 HydrophobicContact CB-CG1 4.22Å; F133-V158 HydrophobicContact CD2-CG2 4.06Å; F133-V158 HydrophobicContact CE2-CG2 4.27Å; F133-V158 HydrophobicContact CG-CG1 4.33Å; F133-V158 HydrophobicContact CG-CG2 4.44Å; F133-F160 HydrophobicContact CB-CZ 3.91Å; F133-F160 HydrophobicContact CD1-CE2 4.27Å; F133-F160 AromaticContact CD1-CZ 3.86Å; F133-F160 HydrophobicContact CD1-CZ 3.86Å; F133-F160 HydrophobicContact CG-CZ 4.28Å; F133-A169 HydrophobicContact CD1-CB 3.89Å; F133-A169 HydrophobicContact CE1-CB 4Å; F133-Y173 HydrophobicContact CD1-CD2 4.42Å; F133-Y173 HydrophobicContact CE1-CD2 4.06Å; F133-Y173 HydrophobicContact CZ-CD2 4.44Å; F133-M183 HydrophobicContact CE2-SD 4.25Å; F133-M183 HydrophobicContact CZ-SD 3.9Å; F133-I185 HydrophobicContact CE1-CD1 3.92Å; F133-I185 HydrophobicContact CZ-CD1 3.78Å |
| 134 | A | 90.1 | Very high | 89.6 | Confident | 54 Ų | 54 | 58.3 Ų | 58.3 | 45% | 0.446 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.8 | -23.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q130 E131 F136 L139 | Q130-A134 WeakPolarHBondContact O-CB 3.49Å; Q130-A134 PolarHBondContact O-N 2.9Å; E131-A134 PolarHBondContact O-N 2.89Å; A134-F136 PolarHBondContact O-N 2.82Å; A134-L139 HydrophobicContact CB-CD1 4.39Å |
| 135 | E | 89.2 | Confident | 89.8 | Confident | 156 Ų | 156 | 61.6 Ų | 61.6 | 73% | 0.729 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -27.7 | 172.9 | -169 | -179.6 | 170.4 | 0 | 0 | 112.4 | F133 | F133-E135 PolarHBondContact O-N 2.96Š|
| 136 | F | 85.2 | Confident | 89.8 | Confident | 38 Ų | 38 | 64.8 Ų | 64.8 | 17% | 0.167 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -21.6 | -172.3 | -66.3 | -95.9 | 0 | 0 | 0 | 114 | F133 A134 F160 D165 K168 A169 Q172 Y173 | F133-F136 PolarHBondContact O-N 3.24Å; F133-F136 VanDerWaalsContact O-N 3.14Å; A134-F136 PolarHBondContact O-N 2.82Å; F136-F160 HydrophobicContact CB-CE1 4.47Å; F136-D165 WeakPolarHBondContact O-CB 3.39Å; F136-K168 HydrophobicContact CD1-CB 4.4Å; F136-A169 HydrophobicContact CB-CB 4.08Å; F136-A169 HydrophobicContact CD1-CB 4.12Å; F136-A169 HydrophobicContact CG-CB 3.95Å; F136-Q172 HydrophobicContact CE1-CB 3.84Å; F136-Q172 HydrophobicContact CE1-CG 4.05Å; F136-Q172 HydrophobicContact CZ-CB 4.41Å; F136-Y173 HydrophobicContact CD2-CD2 4.44Å; F136-Y173 AromaticContact CD2-CE2 3.8Å; F136-Y173 HydrophobicContact CD2-CE2 3.8Å; F136-Y173 AromaticContact CE2-CD2 3.88Å; F136-Y173 HydrophobicContact CE2-CD2 3.88Å; F136-Y173 HydrophobicContact CE2-CE1 4.27Å; F136-Y173 AromaticContact CE2-CE2 3.05Å; F136-Y173 HydrophobicContact CE2-CE2 3.05Å; F136-Y173 AromaticContact CE2-CZ 3.3Å; F136-Y173 VanDerWaalsContact CE2-OH 3.31Å; F136-Y173 WeakPolarHBondContact CE2-OH 3.45Å; F136-Y173 HydrophobicContact CZ-CD2 4.06Å; F136-Y173 HydrophobicContact CZ-CE1 4.04Å; F136-Y173 AromaticContact CZ-CE2 3.52Å; F136-Y173 HydrophobicContact CZ-CE2 3.52Å; F136-Y173 AromaticContact CZ-CZ 3.51Å |
| 137 | G | 85.6 | Confident | 89.8 | Confident | 19 Ų | 19 | 63.9 Ų | 63.9 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 164.6 | -175.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L139 | G137-L139 WeakPolarHBondContact O-CD1 3.23Å; G137-L139 PolarHBondContact O-N 2.98Å |
| 138 | T | 88.8 | Confident | 89.7 | Confident | 69 Ų | 69 | 73.7 Ų | 73.7 | 42% | 0.423 | 36% | 0.359 | S | S | . | . | trans | -76.1 | 116.1 | -178.8 | 43.3 | 0 | 0 | 0 | 0 | 111.6 | E161 | T138-E161 WeakPolarHBondContact CB-OE2 3.5Å; T138-E161 PolarHBondContact O-N 3.47Å; T138-E161 WeakPolarHBondContact OG1-CB 3.17Å; T138-E161 PolarHBondContact OG1-OE2 3.07Å | ||
| 139 | L | 89.7 | Confident | 89.4 | Confident | 42 Ų | 42 | 73.7 Ų | 73.7 | 22% | 0.22 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 141.7 | 170.8 | -80.5 | 73.1 | 0 | 0 | 0 | 110.3 | Q130 F133 A134 G137 A142 V158 F160 | Q130-L139 HydrophobicContact CG-CD2 4.46Å; F133-L139 VanDerWaalsContact C-CD1 3.49Å; F133-L139 HydrophobicContact CB-CD1 4.07Å; F133-L139 HydrophobicContact CB-CD2 4Å; F133-L139 WeakPolarHBondContact O-CD1 3.11Å; A134-L139 HydrophobicContact CB-CD1 4.39Å; G137-L139 WeakPolarHBondContact O-CD1 3.23Å; G137-L139 PolarHBondContact O-N 2.98Å; L139-A142 HydrophobicContact CD2-CB 4.19Å; L139-V158 HydrophobicContact CD2-CG1 3.63Å; L139-V158 HydrophobicContact CG-CG1 3.96Å; L139-F160 HydrophobicContact CD1-CD1 4.08Å; L139-F160 HydrophobicContact CD1-CE1 3.57Å; L139-F160 HydrophobicContact CD1-CZ 4.1Å; L139-F160 HydrophobicContact CG-CD1 4.45Å; L139-F160 HydrophobicContact CG-CE1 4.22Å |
| 140 | K | 89.4 | Confident | 89.1 | Confident | 126 Ų | 126 | 76.4 Ų | 76.4 | 55% | 0.548 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -34.6 | 166.4 | -72 | -179.3 | 169.1 | 170.5 | 0 | 112 | H159 E161 | K140-H159 PolarHBondContact N-O 2.7Å; K140-E161 HydrophobicContact CD-CB 4.48Å; K140-E161 HydrophobicContact CG-CB 4.3Å |
| 141 | K | 88.6 | Confident | 88.9 | Confident | 118 Ų | 118 | 79.6 Ų | 79.6 | 51% | 0.513 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 137.1 | -179.5 | -178.5 | 170.9 | 177.7 | 174.2 | 0 | 110.4 | H159 | K141-H159 HydrophobicContact CB-CB 4.22Å; K141-H159 PolarHBondContact N-O 2.94Å; K141-H159 PolarHBondContact O-N 2.78Å |
| 142 | A | 91.4 | Very high | 88.7 | Confident | 18 Ų | 18 | 73 Ų | 73 | 15% | 0.149 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 145 | 157 | 0 | 0 | 0 | 0 | 0 | 107.9 | I129 Q130 L139 D157 | I129-A142 HydrophobicContact CG2-CB 4.02Å; Q130-A142 HydrophobicContact CB-CB 4.22Å; L139-A142 HydrophobicContact CD2-CB 4.19Å; A142-D157 WeakPolarHBondContact CA-O 3.35Å |
| 143 | A | 90.8 | Very high | 88.6 | Confident | 23 Ų | 23 | 75.6 Ų | 75.6 | 19% | 0.19 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 124.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | A156 D157 | A143-A156 CarbonylContact O-C 3.55Å; A143-A156 WeakPolarHBondContact O-CA 3.46Å; A143-A156 WeakPolarHBondContact O-CB 3.48Å; A143-D157 PolarHBondContact N-O 2.95Å; A143-D157 PolarHBondContact O-N 3.32Å |
| 144 | V | 92.3 | Very high | 88.5 | Confident | 14 Ų | 14 | 75.9 Ų | 75.9 | 9% | 0.085 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 138.8 | 168.8 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | D126 I129 Y146 A156 | D126-V144 HydrophobicContact CB-CG2 4.45Å; I129-V144 HydrophobicContact CG1-CG2 4.01Å; V144-Y146 HydrophobicContact CB-CD2 4.5Å; V144-Y146 HydrophobicContact CB-CE2 3.7Å; V144-Y146 HydrophobicContact CG1-CD2 4.43Å; V144-Y146 HydrophobicContact CG1-CE1 4.21Å; V144-Y146 HydrophobicContact CG1-CE2 3.87Å; V144-Y146 VanDerWaalsContact O-CD2 3.29Å; V144-Y146 WeakPolarHBondContact O-CD2 3.34Å; V144-Y146 WeakPolarHBondContact O-CE2 3.45Å; V144-A156 HydrophobicContact CB-CB 4.49Å; V144-A156 HydrophobicContact CG2-CB 4.03Å |
| 145 | H | 91 | Very high | 88.6 | Confident | 73 Ų | 73 | 75 Ų | 75 | 34% | 0.338 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 126 | 173.2 | -58.4 | 132.4 | 0 | 0 | 0 | 110.2 | L153 T155 D157 | H145-L153 HydrophobicContact CB-CB 4.34Å; H145-L153 HydrophobicContact CB-CD1 4.04Å; H145-L153 WeakPolarHBondContact O-CB 3.29Å; H145-L153 PolarHBondContact O-N 2.84Å; H145-T155 PolarHBondContact N-O 2.83Å; H145-T155 PolarHBondContact ND1-OG1 3.15Å; H145-D157 IonicContact NE2-OD1 3.15Å |
| 146 | Y | 90.8 | Very high | 88.7 | Confident | 102 Ų | 102 | 67.6 Ų | 67.6 | 40% | 0.4 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 142.5 | 174.6 | -61.1 | -89.4 | 0 | 0 | 0 | 110.5 | V144 S152 | V144-Y146 HydrophobicContact CB-CD2 4.5Å; V144-Y146 HydrophobicContact CB-CE2 3.7Å; V144-Y146 HydrophobicContact CG1-CD2 4.43Å; V144-Y146 HydrophobicContact CG1-CE1 4.21Å; V144-Y146 HydrophobicContact CG1-CE2 3.87Å; V144-Y146 VanDerWaalsContact O-CD2 3.29Å; V144-Y146 WeakPolarHBondContact O-CD2 3.34Å; V144-Y146 WeakPolarHBondContact O-CE2 3.45Å; Y146-S152 VanDerWaalsContact CE1-OG 3.26Å; Y146-S152 WeakPolarHBondContact CE1-OG 3.26Å |
| 147 | D | 90.9 | Very high | 89 | Confident | 63 Ų | 63 | 66.6 Ų | 66.6 | 34% | 0.337 | 34% | 0.339 | S | S | . | . | trans | -67.9 | 162.7 | 169.2 | 175 | 44.4 | 0 | 0 | 0 | 110.9 | S149 G150 R151 L153 | D147-S149 PolarHBondContact O-N 3.26Å; D147-S149 WeakPolarHBondContact OD2-CB 3.42Å; D147-S149 PolarHBondContact OD2-N 2.88Å; D147-S149 VanDerWaalsContact OD2-N 3.08Å; D147-S149 PolarHBondContact OD2-OG 3.27Å; D147-G150 PolarHBondContact O-N 3.33Å; D147-R151 WeakPolarHBondContact CB-O 3.43Å; D147-R151 PolarHBondContact N-O 2.86Å; D147-L153 HydrophobicContact CB-CD2 4.07Å; D147-L153 HydrophobicContact CB-CG 4.27Å | ||
| 148 | R | 88.7 | Confident | 89.3 | Confident | 250 Ų | 250 | 65.7 Ų | 65.7 | 94% | 0.943 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -18.7 | 173.3 | -153.9 | -176.3 | 79.8 | -158.8 | 5.3 | 113.1 | G150 | R148-G150 VanDerWaalsContact C-N 3.29Š|
| 149 | S | 85.2 | Confident | 89.5 | Confident | 80 Ų | 80 | 63.2 Ų | 63.2 | 56% | 0.559 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 1.7 | 172.1 | -41.3 | 0 | 0 | 0 | 0 | 114.2 | D147 R151 | D147-S149 PolarHBondContact O-N 3.26Å; D147-S149 WeakPolarHBondContact OD2-CB 3.42Å; D147-S149 PolarHBondContact OD2-N 2.88Å; D147-S149 VanDerWaalsContact OD2-N 3.08Å; D147-S149 PolarHBondContact OD2-OG 3.27Å; S149-R151 PolarHBondContact O-N 3.1Å |
| 150 | G | 83.4 | Confident | 89.5 | Confident | 57 Ų | 57 | 61.2 Ų | 61.2 | 59% | 0.588 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 75 | 4.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D147 R148 | D147-G150 PolarHBondContact O-N 3.33Å; R148-G150 VanDerWaalsContact C-N 3.29Å |
| 151 | R | 85.9 | Confident | 89.5 | Confident | 175 Ų | 175 | 59.9 Ų | 59.9 | 66% | 0.66 | 30% | 0.299 | S | S | * | . | trans | -86 | 135.2 | 175.6 | -69.4 | -173.7 | -69.6 | -169.2 | -3.8 | 110.4 | D147 S149 | D147-R151 WeakPolarHBondContact CB-O 3.43Å; D147-R151 PolarHBondContact N-O 2.86Å; S149-R151 PolarHBondContact O-N 3.1Å | ||
| 152 | S | 87.1 | Confident | 89.5 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 139.8 | 174 | -41.3 | 0 | 0 | 0 | 0 | 110.5 | F122 Y146 G154 | F122-S152 WeakPolarHBondContact CD1-O 3.22Å; F122-S152 WeakPolarHBondContact CE1-O 3.5Å; F122-S152 PolarHBondContact O-OG 2.82Å; Y146-S152 VanDerWaalsContact CE1-OG 3.26Å; Y146-S152 WeakPolarHBondContact CE1-OG 3.26Å; S152-G154 PolarHBondContact O-N 3.44Å |
| 153 | L | 87.7 | Confident | 89.3 | Confident | 98 Ų | 98 | 64.9 Ų | 64.9 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 3.3 | 174.8 | -73.6 | 167 | 0 | 0 | 0 | 112.7 | H145 D147 T155 | H145-L153 HydrophobicContact CB-CB 4.34Å; H145-L153 HydrophobicContact CB-CD1 4.04Å; H145-L153 WeakPolarHBondContact O-CB 3.29Å; H145-L153 PolarHBondContact O-N 2.84Å; D147-L153 HydrophobicContact CB-CD2 4.07Å; D147-L153 HydrophobicContact CB-CG 4.27Å; L153-T155 PolarHBondContact O-N 2.99Å |
| 154 | G | 87.6 | Confident | 89.2 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.1 | 21.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S118 N119 L120 S152 | S118-G154 CarbonylContact C-O 3.49Å; N119-G154 PolarHBondContact N-O 3.43Å; L120-G154 PolarHBondContact N-O 2.72Å; S152-G154 PolarHBondContact O-N 3.44Å |
| 155 | T | 91.1 | Very high | 89.1 | Confident | 36 Ų | 36 | 66 Ų | 66 | 22% | 0.221 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 147.4 | 176.9 | 63.7 | 0 | 0 | 0 | 0 | 110.7 | V117 H145 L153 | V117-T155 CarbonylContact O-C 3.59Å; V117-T155 WeakPolarHBondContact O-CA 3.32Å; H145-T155 PolarHBondContact N-O 2.83Å; H145-T155 PolarHBondContact ND1-OG1 3.15Å; L153-T155 PolarHBondContact O-N 2.99Å |
| 156 | A | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 151.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | V117 L120 I129 A143 V144 | V117-A156 HydrophobicContact CB-CB 4.35Å; V117-A156 PolarHBondContact N-O 3.2Å; V117-A156 PolarHBondContact O-N 3.45Å; L120-A156 HydrophobicContact CD1-CB 3.77Å; I129-A156 HydrophobicContact CG1-CB 4.49Å; A143-A156 CarbonylContact O-C 3.55Å; A143-A156 WeakPolarHBondContact O-CA 3.46Å; A143-A156 WeakPolarHBondContact O-CB 3.48Å; V144-A156 HydrophobicContact CB-CB 4.49Å; V144-A156 HydrophobicContact CG2-CB 4.03Å |
| 157 | D | 92.2 | Very high | 88.9 | Confident | 17 Ų | 17 | 60.9 Ų | 60.9 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 139.9 | 165.7 | 73.5 | -126 | 0 | 0 | 0 | 111.2 | A142 A143 H145 H159 | A142-D157 WeakPolarHBondContact CA-O 3.35Å; A143-D157 PolarHBondContact N-O 2.95Å; A143-D157 PolarHBondContact O-N 3.32Å; H145-D157 IonicContact NE2-OD1 3.15Å; D157-H159 IonicContact OD2-CE1 2.74Å; D157-H159 PolarHBondContact OD2-CE1 2.75Å; D157-H159 IonicContact OD2-ND1 3.34Å; D157-H159 PolarHBondContact OD2-ND1 2.79Å |
| 158 | V | 91.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 120 | 176.4 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | K114 L115 V117 I129 F133 L139 F160 | K114-V158 CarbonylContact C-O 3.56Å; K114-V158 WeakPolarHBondContact CA-O 3.26Å; L115-V158 HydrophobicContact CB-CB 4.42Å; L115-V158 PolarHBondContact N-O 2.74Å; L115-V158 PolarHBondContact O-N 3.14Å; V117-V158 HydrophobicContact CG2-CG2 4.07Å; I129-V158 HydrophobicContact CG2-CG2 3.62Å; F133-V158 HydrophobicContact CB-CG1 4.22Å; F133-V158 HydrophobicContact CD2-CG2 4.06Å; F133-V158 HydrophobicContact CE2-CG2 4.27Å; F133-V158 HydrophobicContact CG-CG1 4.33Å; F133-V158 HydrophobicContact CG-CG2 4.44Å; L139-V158 HydrophobicContact CD2-CG1 3.63Å; L139-V158 HydrophobicContact CG-CG1 3.96Å; V158-F160 HydrophobicContact CB-CE2 4.32Å; V158-F160 HydrophobicContact CG1-CD2 4Å; V158-F160 HydrophobicContact CG1-CE2 3.5Å; V158-F160 VanDerWaalsContact CG1-CE2 3.5Å; V158-F160 HydrophobicContact CG1-CZ 4.01Å |
| 159 | H | 91.6 | Very high | 88.9 | Confident | 17 Ų | 17 | 51 Ų | 51 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 106.6 | -179.6 | -62.3 | 76.2 | 0 | 0 | 0 | 108.9 | E110 K114 K140 K141 D157 | E110-H159 IonicContact OE1-CD2 2.9Å; E110-H159 IonicContact OE2-CD2 3.73Å; E110-H159 PolarHBondContact OE2-CD2 2.74Å; E110-H159 IonicContact OE2-NE2 2.94Å; K114-H159 VanDerWaalsContact CD-NE2 3.34Å; K114-H159 WeakPolarHBondContact CD-NE2 3.23Å; K114-H159 WeakPolarHBondContact CE-NE2 3.31Å; K114-H159 PolarHBondContact NZ-CE1 2.88Å; K114-H159 PolarHBondContact NZ-NE2 3.07Å; K140-H159 PolarHBondContact N-O 2.7Å; K141-H159 HydrophobicContact CB-CB 4.22Å; K141-H159 PolarHBondContact N-O 2.94Å; K141-H159 PolarHBondContact O-N 2.78Å; D157-H159 IonicContact OD2-CE1 2.74Å; D157-H159 PolarHBondContact OD2-CE1 2.75Å; D157-H159 IonicContact OD2-ND1 3.34Å; D157-H159 PolarHBondContact OD2-ND1 2.79Å |
| 160 | F | 90.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 151.3 | 173.4 | -74 | -89.7 | 0 | 0 | 0 | 111.5 | G112 G113 L115 F133 F136 L139 V158 R162 D165 A166 A169 | G112-F160 CarbonylContact C-O 3.58Å; G112-F160 WeakPolarHBondContact CA-O 3.38Å; G113-F160 PolarHBondContact N-O 3.31Å; G113-F160 WeakPolarHBondContact O-CB 3.41Å; G113-F160 PolarHBondContact O-N 2.98Å; L115-F160 HydrophobicContact CD1-CD2 4.24Å; L115-F160 HydrophobicContact CD1-CE2 3.61Å; L115-F160 HydrophobicContact CG-CD2 4.28Å; L115-F160 HydrophobicContact CG-CE2 4.1Å; F133-F160 HydrophobicContact CB-CZ 3.91Å; F133-F160 HydrophobicContact CD1-CE2 4.27Å; F133-F160 AromaticContact CD1-CZ 3.86Å; F133-F160 HydrophobicContact CD1-CZ 3.86Å; F133-F160 HydrophobicContact CG-CZ 4.28Å; F136-F160 HydrophobicContact CB-CE1 4.47Å; L139-F160 HydrophobicContact CD1-CD1 4.08Å; L139-F160 HydrophobicContact CD1-CE1 3.57Å; L139-F160 HydrophobicContact CD1-CZ 4.1Å; L139-F160 HydrophobicContact CG-CD1 4.45Å; L139-F160 HydrophobicContact CG-CE1 4.22Å; V158-F160 HydrophobicContact CB-CE2 4.32Å; V158-F160 HydrophobicContact CG1-CD2 4Å; V158-F160 HydrophobicContact CG1-CE2 3.5Å; V158-F160 VanDerWaalsContact CG1-CE2 3.5Å; V158-F160 HydrophobicContact CG1-CZ 4.01Å; F160-R162 VanDerWaalsContact C-N 3.32Å; F160-D165 HydrophobicContact CD1-CB 4.14Å; F160-A166 HydrophobicContact CB-CB 4.19Å; F160-A166 HydrophobicContact CD2-CB 3.65Å; F160-A166 HydrophobicContact CE2-CB 4.33Å; F160-A166 HydrophobicContact CG-CB 4.05Å; F160-A169 HydrophobicContact CE2-CB 4.45Å; F160-A169 HydrophobicContact CZ-CB 4.1Å |
| 161 | E | 89.4 | Confident | 89.4 | Confident | 98 Ų | 98 | 55.5 Ų | 55.5 | 46% | 0.458 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -64.3 | -36.8 | 169.2 | -179.1 | 173.5 | -157.2 | 0 | 0 | 112.5 | G112 T138 K140 | G112-E161 WeakPolarHBondContact CA-O 3.38Å; T138-E161 WeakPolarHBondContact CB-OE2 3.5Å; T138-E161 PolarHBondContact O-N 3.47Å; T138-E161 WeakPolarHBondContact OG1-CB 3.17Å; T138-E161 PolarHBondContact OG1-OE2 3.07Å; K140-E161 HydrophobicContact CD-CB 4.48Å; K140-E161 HydrophobicContact CG-CB 4.3Å |
| 162 | R | 88.1 | Confident | 89.4 | Confident | 136 Ų | 136 | 53.4 Ų | 53.4 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | trans | -120 | 129.1 | -177.2 | -57.7 | -173.1 | -60.9 | -158.7 | -3.2 | 111.5 | F160 A164 D165 A166 | F160-R162 VanDerWaalsContact C-N 3.32Å; R162-A164 PolarHBondContact O-N 2.82Å; R162-D165 IonicContact CZ-OD2 2.72Å; R162-D165 IonicContact NE-OD2 3.94Å; R162-D165 PolarHBondContact NE-OD2 2.83Å; R162-D165 IonicContact NH2-OD1 2.74Å; R162-D165 PolarHBondContact NH2-OD1 3.18Å; R162-D165 IonicContact NH2-OD2 2.74Å; R162-D165 PolarHBondContact NH2-OD2 2.93Å; R162-D165 PolarHBondContact O-N 2.87Å; R162-D165 VanDerWaalsContact O-N 3.15Å; R162-A166 PolarHBondContact O-N 2.97Å | ||
| 163 | K | 87.3 | Confident | 89.4 | Confident | 105 Ų | 105 | 54.5 Ų | 54.5 | 46% | 0.457 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.5 | -30.2 | 173.2 | -174.7 | 176 | -179.2 | 177.4 | 0 | 113.5 | D165 L167 | K163-D165 VanDerWaalsContact C-N 3.33Å; K163-D165 PolarHBondContact O-N 2.83Å; K163-L167 HydrophobicContact CG-CD1 4.37Å; K163-L167 WeakPolarHBondContact O-CG 3.42Å; K163-L167 PolarHBondContact O-N 2.98Å; K163-L167 VanDerWaalsContact O-N 3.09Å |
| 164 | A | 88.7 | Confident | 89.4 | Confident | 59 Ų | 59 | 53.7 Ų | 53.7 | 49% | 0.488 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.7 | -35.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | R162 K168 | R162-A164 PolarHBondContact O-N 2.82Å; A164-K168 WeakPolarHBondContact O-CG 3.21Å; A164-K168 PolarHBondContact O-N 2.77Å |
| 165 | D | 89.9 | Confident | 89.2 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -79.6 | -39.3 | -179 | -60.9 | -30.2 | 0 | 0 | 0 | 110.9 | F136 F160 R162 K163 L167 K168 A169 | F136-D165 WeakPolarHBondContact O-CB 3.39Å; F160-D165 HydrophobicContact CD1-CB 4.14Å; R162-D165 IonicContact CZ-OD2 2.72Å; R162-D165 IonicContact NE-OD2 3.94Å; R162-D165 PolarHBondContact NE-OD2 2.83Å; R162-D165 IonicContact NH2-OD1 2.74Å; R162-D165 PolarHBondContact NH2-OD1 3.18Å; R162-D165 IonicContact NH2-OD2 2.74Å; R162-D165 PolarHBondContact NH2-OD2 2.93Å; R162-D165 PolarHBondContact O-N 2.87Å; R162-D165 VanDerWaalsContact O-N 3.15Å; K163-D165 VanDerWaalsContact C-N 3.33Å; K163-D165 PolarHBondContact O-N 2.83Å; D165-L167 VanDerWaalsContact C-N 3.25Å; D165-L167 PolarHBondContact O-N 3.01Å; D165-K168 WeakPolarHBondContact O-CB 3.4Å; D165-K168 PolarHBondContact O-N 3.31Å; D165-K168 IonicContact OD1-NZ 3.84Å; D165-K168 PolarHBondContact OD1-NZ 3.09Å; D165-A169 PolarHBondContact O-N 3.28Å |
| 166 | A | 89 | Confident | 89 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -54.5 | -40.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L115 F160 R162 M170 L187 | L115-A166 HydrophobicContact CD1-CB 4.3Å; L115-A166 HydrophobicContact CD2-CB 3.88Å; L115-A166 HydrophobicContact CG-CB 3.98Å; F160-A166 HydrophobicContact CB-CB 4.19Å; F160-A166 HydrophobicContact CD2-CB 3.65Å; F160-A166 HydrophobicContact CE2-CB 4.33Å; F160-A166 HydrophobicContact CG-CB 4.05Å; R162-A166 PolarHBondContact O-N 2.97Å; A166-M170 WeakPolarHBondContact O-CB 3.46Å; A166-M170 PolarHBondContact O-N 2.95Å; A166-L187 HydrophobicContact CB-CD1 4.36Å |
| 167 | L | 89.2 | Confident | 88.7 | Confident | 68 Ų | 68 | 60.9 Ų | 60.9 | 36% | 0.356 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.8 | -29.5 | 175.4 | -78.1 | 169.4 | 0 | 0 | 0 | 113.7 | K163 D165 K171 L187 | K163-L167 HydrophobicContact CG-CD1 4.37Å; K163-L167 WeakPolarHBondContact O-CG 3.42Å; K163-L167 PolarHBondContact O-N 2.98Å; K163-L167 VanDerWaalsContact O-N 3.09Å; D165-L167 VanDerWaalsContact C-N 3.25Å; D165-L167 PolarHBondContact O-N 3.01Å; L167-K171 VanDerWaalsContact O-CG 3.31Å; L167-K171 WeakPolarHBondContact O-CG 3.37Å; L167-K171 PolarHBondContact O-N 3.37Å; L167-L187 HydrophobicContact CD2-CD2 3.89Å |
| 168 | K | 89.9 | Confident | 88.3 | Confident | 105 Ų | 105 | 62.1 Ų | 62.1 | 46% | 0.457 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72 | -50.8 | 173 | -65.1 | 167.3 | -167.7 | 159.9 | 0 | 110.2 | F136 A164 D165 M170 K171 Q172 | F136-K168 HydrophobicContact CD1-CB 4.4Å; A164-K168 WeakPolarHBondContact O-CG 3.21Å; A164-K168 PolarHBondContact O-N 2.77Å; D165-K168 WeakPolarHBondContact O-CB 3.4Å; D165-K168 PolarHBondContact O-N 3.31Å; D165-K168 IonicContact OD1-NZ 3.84Å; D165-K168 PolarHBondContact OD1-NZ 3.09Å; K168-M170 VanDerWaalsContact C-N 3.33Å; K168-M170 PolarHBondContact O-N 3.36Å; K168-K171 PolarHBondContact O-N 3.47Å; K168-Q172 WeakPolarHBondContact O-CG 3.44Å; K168-Q172 PolarHBondContact O-N 2.99Å |
| 169 | A | 89.3 | Confident | 87.9 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.1 | -45.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L115 F133 F136 F160 D165 K171 Q172 Y173 | L115-A169 HydrophobicContact CD1-CB 4.02Å; F133-A169 HydrophobicContact CD1-CB 3.89Å; F133-A169 HydrophobicContact CE1-CB 4Å; F136-A169 HydrophobicContact CB-CB 4.08Å; F136-A169 HydrophobicContact CD1-CB 4.12Å; F136-A169 HydrophobicContact CG-CB 3.95Å; F160-A169 HydrophobicContact CE2-CB 4.45Å; F160-A169 HydrophobicContact CZ-CB 4.1Å; D165-A169 PolarHBondContact O-N 3.28Å; A169-K171 VanDerWaalsContact C-N 3.32Å; A169-K171 PolarHBondContact O-N 2.96Å; A169-Q172 PolarHBondContact O-N 3.39Å; A169-Y173 PolarHBondContact O-N 2.96Å |
| 170 | M | 89.8 | Confident | 87.5 | Confident | 60 Ų | 60 | 70.1 Ų | 70.1 | 30% | 0.296 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.7 | -40.9 | 173.9 | -177.8 | -176.1 | 176.3 | 0 | 0 | 112.8 | L115 A166 K168 N174 I185 L187 | L115-M170 HydrophobicContact CD2-CB 4.33Å; A166-M170 WeakPolarHBondContact O-CB 3.46Å; A166-M170 PolarHBondContact O-N 2.95Å; K168-M170 VanDerWaalsContact C-N 3.33Å; K168-M170 PolarHBondContact O-N 3.36Å; M170-N174 WeakPolarHBondContact O-CB 3.39Å; M170-N174 PolarHBondContact O-N 3.31Å; M170-I185 HydrophobicContact CB-CG2 4.01Å; M170-I185 WeakPolarHBondContact CE-O 3.5Å; M170-I185 HydrophobicContact CG-CB 4.45Å; M170-I185 HydrophobicContact CG-CG2 4.11Å; M170-L187 HydrophobicContact SD-CB 3.71Å |
| 171 | K | 88.9 | Confident | 87.3 | Confident | 172 Ų | 172 | 74 Ų | 74 | 75% | 0.748 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -73.9 | -31 | -179.4 | -75.7 | 178.3 | 178.8 | -171.4 | 0 | 113.8 | L167 K168 A169 | L167-K171 VanDerWaalsContact O-CG 3.31Å; L167-K171 WeakPolarHBondContact O-CG 3.37Å; L167-K171 PolarHBondContact O-N 3.37Å; K168-K171 PolarHBondContact O-N 3.47Å; A169-K171 VanDerWaalsContact C-N 3.32Å; A169-K171 PolarHBondContact O-N 2.96Å |
| 172 | Q | 86.7 | Confident | 87.2 | Confident | 131 Ų | 131 | 72.8 Ų | 72.8 | 61% | 0.612 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -91 | -39.3 | -173.9 | -64.4 | -68.4 | 6.7 | 0 | 0 | 112.8 | F136 K168 A169 V176 | F136-Q172 HydrophobicContact CE1-CB 3.84Å; F136-Q172 HydrophobicContact CE1-CG 4.05Å; F136-Q172 HydrophobicContact CZ-CB 4.41Å; K168-Q172 WeakPolarHBondContact O-CG 3.44Å; K168-Q172 PolarHBondContact O-N 2.99Å; A169-Q172 PolarHBondContact O-N 3.39Å; Q172-V176 VanDerWaalsContact O-CG2 3.29Å; Q172-V176 WeakPolarHBondContact O-CG2 3.49Å |
| 173 | Y | 86.1 | Confident | 87.4 | Confident | 35 Ų | 35 | 66.5 Ų | 66.5 | 14% | 0.137 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -99.8 | -8.4 | -176.3 | -73.5 | -31.9 | 0 | 0 | 0 | 115.3 | L132 F133 F136 A169 G175 V176 | L132-Y173 HydrophobicContact CD1-CE1 4.36Å; L132-Y173 HydrophobicContact CD1-CE2 3.79Å; L132-Y173 VanDerWaalsContact CD1-OH 3.26Å; L132-Y173 WeakPolarHBondContact CD1-OH 3.4Å; L132-Y173 HydrophobicContact CD2-CE2 4.26Å; L132-Y173 HydrophobicContact CG-CD2 4.36Å; L132-Y173 HydrophobicContact CG-CE2 3.64Å; F133-Y173 HydrophobicContact CD1-CD2 4.42Å; F133-Y173 HydrophobicContact CE1-CD2 4.06Å; F133-Y173 HydrophobicContact CZ-CD2 4.44Å; F136-Y173 HydrophobicContact CD2-CD2 4.44Å; F136-Y173 AromaticContact CD2-CE2 3.8Å; F136-Y173 HydrophobicContact CD2-CE2 3.8Å; F136-Y173 AromaticContact CE2-CD2 3.88Å; F136-Y173 HydrophobicContact CE2-CD2 3.88Å; F136-Y173 HydrophobicContact CE2-CE1 4.27Å; F136-Y173 AromaticContact CE2-CE2 3.05Å; F136-Y173 HydrophobicContact CE2-CE2 3.05Å; F136-Y173 AromaticContact CE2-CZ 3.3Å; F136-Y173 VanDerWaalsContact CE2-OH 3.31Å; F136-Y173 WeakPolarHBondContact CE2-OH 3.45Å; F136-Y173 HydrophobicContact CZ-CD2 4.06Å; F136-Y173 HydrophobicContact CZ-CE1 4.04Å; F136-Y173 AromaticContact CZ-CE2 3.52Å; F136-Y173 HydrophobicContact CZ-CE2 3.52Å; F136-Y173 AromaticContact CZ-CZ 3.51Å; A169-Y173 PolarHBondContact O-N 2.96Å; Y173-G175 PolarHBondContact O-N 3.09Å; Y173-G175 VanDerWaalsContact O-N 3.11Å; Y173-V176 HydrophobicContact CD1-CB 4.31Å; Y173-V176 HydrophobicContact CD1-CG1 4.36Å; Y173-V176 HydrophobicContact CD1-CG2 4.17Å; Y173-V176 PolarHBondContact O-N 3Å; Y173-V176 VanDerWaalsContact O-N 3.08Å |
| 174 | N | 88.7 | Confident | 87.6 | Confident | 81 Ų | 81 | 64.4 Ų | 64.4 | 43% | 0.433 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 113.9 | 173.7 | -179 | 76.5 | 0 | 0 | 0 | 111.1 | M170 N184 I185 | M170-N174 WeakPolarHBondContact O-CB 3.39Å; M170-N174 PolarHBondContact O-N 3.31Å; N174-N184 PolarHBondContact OD1-OD1 2.83Å; N174-I185 HydrophobicContact CB-CB 4.33Å; N174-I185 PolarHBondContact OD1-N 2.83Å |
| 175 | G | 83.6 | Confident | 87.7 | Confident | 45 Ų | 45 | 61.7 Ų | 61.7 | 46% | 0.464 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.2 | -5.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y173 M183 | Y173-G175 PolarHBondContact O-N 3.09Å; Y173-G175 VanDerWaalsContact O-N 3.11Å; G175-M183 WeakPolarHBondContact CA-O 3.33Å; G175-M183 PolarHBondContact N-O 2.89Å |
| 176 | V | 86.6 | Confident | 87.8 | Confident | 59 Ų | 59 | 66.3 Ų | 66.3 | 36% | 0.358 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 130.1 | 178 | 173.3 | 0 | 0 | 0 | 0 | 109.7 | Q172 Y173 L178 M183 | Q172-V176 VanDerWaalsContact O-CG2 3.29Å; Q172-V176 WeakPolarHBondContact O-CG2 3.49Å; Y173-V176 HydrophobicContact CD1-CB 4.31Å; Y173-V176 HydrophobicContact CD1-CG1 4.36Å; Y173-V176 HydrophobicContact CD1-CG2 4.17Å; Y173-V176 PolarHBondContact O-N 3Å; Y173-V176 VanDerWaalsContact O-N 3.08Å; V176-L178 PolarHBondContact O-N 2.66Å; V176-M183 WeakPolarHBondContact O-CB 3.01Å; V176-M183 PolarHBondContact O-N 2.9Å |
| 177 | P | 85.8 | Confident | 87.8 | Confident | 89 Ų | 89 | 68.2 Ų | 68.2 | 58% | 0.578 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 118.8 | 176.1 | 28.7 | -32.9 | 0 | 0 | 0 | 111 | R181 | P177-R181 CarbonylContact C-O 3.58Å; P177-R181 WeakPolarHBondContact CA-O 3.31Å |
| 178 | L | 83.1 | Confident | 87.7 | Confident | 42 Ų | 42 | 67.5 Ų | 67.5 | 22% | 0.22 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.5 | 164.8 | -172.8 | 69.8 | 0 | 0 | 0 | 107.3 | L120 V124 L132 V176 G180 R181 M183 | L120-L178 HydrophobicContact CD2-CD2 3.99Å; V124-L178 HydrophobicContact CG1-CD2 4.22Å; V124-L178 HydrophobicContact CG2-CD2 3.83Å; V124-L178 HydrophobicContact CG2-CG 4.49Å; L132-L178 HydrophobicContact CD2-CD2 4.43Å; V176-L178 PolarHBondContact O-N 2.66Å; L178-G180 PolarHBondContact O-N 2.74Å; L178-G180 VanDerWaalsContact O-N 3.09Å; L178-R181 PolarHBondContact N-O 2.8Å; L178-R181 PolarHBondContact O-N 2.74Å; L178-R181 VanDerWaalsContact O-O 3.12Å; L178-M183 HydrophobicContact CB-CE 3.9Å; L178-M183 HydrophobicContact CD2-CE 3.63Å; L178-M183 HydrophobicContact CG-CE 4.32Å |
| 179 | D | 82.8 | Confident | 86.7 | Confident | 114 Ų | 114 | 66 Ų | 66 | 61% | 0.61 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 37.4 | -177.3 | -55.5 | -47.8 | 0 | 0 | 0 | 114.3 | D121 R181 | D121-D179 HydrophobicContact CB-CB 4.03Å; D179-R181 VanDerWaalsContact C-N 3.31Å; D179-R181 PolarHBondContact O-N 2.82Å |
| 180 | G | 83.5 | Confident | 85.2 | Confident | 71 Ų | 71 | 69.9 Ų | 69.9 | 73% | 0.732 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 0.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L178 | L178-G180 PolarHBondContact O-N 2.74Å; L178-G180 VanDerWaalsContact O-N 3.09Å |
| 181 | R | 86.6 | Confident | 83.4 | Confident | 84 Ų | 84 | 73.1 Ų | 73.1 | 32% | 0.317 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.8 | 176.9 | -72.3 | 179.7 | 147.7 | -145 | -5.8 | 111.7 | L120 P177 L178 D179 M183 | L120-R181 PolarHBondContact O-NH1 3.34Å; P177-R181 CarbonylContact C-O 3.58Å; P177-R181 WeakPolarHBondContact CA-O 3.31Å; L178-R181 PolarHBondContact N-O 2.8Å; L178-R181 PolarHBondContact O-N 2.74Å; L178-R181 VanDerWaalsContact O-O 3.12Å; D179-R181 VanDerWaalsContact C-N 3.31Å; D179-R181 PolarHBondContact O-N 2.82Å; R181-M183 PolarHBondContact O-N 2.77Å |
| 182 | P | 88.8 | Confident | 81.5 | Confident | 71 Ų | 71 | 71.5 Ų | 71.5 | 46% | 0.461 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 119 | 178.7 | 27.4 | -33.5 | 0 | 0 | 0 | 110.7 | N119 | N119-P182 PolarHBondContact ND2-O 3.06Å |
| 183 | M | 91.4 | Very high | 79.6 | Confident | 5 Ų | 5 | 69.1 Ų | 69.1 | 3% | 0.025 | 40% | 0.401 | C | S | . | . | trans | -72.2 | 134 | 179.3 | -168.7 | -175.2 | -56.4 | 0 | 0 | 110.8 | V117 L120 L132 F133 G175 V176 L178 R181 I185 | V117-M183 HydrophobicContact CG1-CG 3.41Å; V117-M183 VanDerWaalsContact CG1-CG 3.41Å; V117-M183 HydrophobicContact CG1-SD 3.39Å; V117-M183 WeakPolarHBondContact CG1-SD 3.29Å; L120-M183 HydrophobicContact CD2-CE 3.69Å; L120-M183 HydrophobicContact CD2-CG 3.98Å; L120-M183 HydrophobicContact CD2-SD 4.15Å; L132-M183 HydrophobicContact CD2-CE 3.69Å; F133-M183 HydrophobicContact CE2-SD 4.25Å; F133-M183 HydrophobicContact CZ-SD 3.9Å; G175-M183 WeakPolarHBondContact CA-O 3.33Å; G175-M183 PolarHBondContact N-O 2.89Å; V176-M183 WeakPolarHBondContact O-CB 3.01Å; V176-M183 PolarHBondContact O-N 2.9Å; L178-M183 HydrophobicContact CB-CE 3.9Å; L178-M183 HydrophobicContact CD2-CE 3.63Å; L178-M183 HydrophobicContact CG-CE 4.32Å; R181-M183 PolarHBondContact O-N 2.77Å; M183-I185 HydrophobicContact CG-CD1 4.42Å; M183-I185 HydrophobicContact CG-CG1 4.01Å; M183-I185 HydrophobicContact SD-CD1 3.78Å; M183-I185 HydrophobicContact SD-CG1 3.93Å | ||
| 184 | N | 91.1 | Very high | 77.8 | Confident | 61 Ų | 61 | 72.8 Ų | 72.8 | 33% | 0.326 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.7 | 174 | 173.9 | 29.6 | 0 | 0 | 0 | 109.2 | V117 S118 N174 | V117-N184 CarbonylContact C-O 3.58Å; V117-N184 WeakPolarHBondContact CA-O 3.01Å; S118-N184 PolarHBondContact N-O 2.97Å; S118-N184 PolarHBondContact O-N 3.24Å; N174-N184 PolarHBondContact OD1-OD1 2.83Å |
| 185 | I | 91.8 | Very high | 75.9 | Confident | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.005 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.2 | -175.1 | -56 | 176.5 | 0 | 0 | 0 | 109.8 | L115 V117 F133 M170 N174 M183 | L115-I185 HydrophobicContact CB-CG2 4.18Å; L115-I185 HydrophobicContact CD1-CG2 3.79Å; L115-I185 HydrophobicContact CD2-CG2 4.27Å; L115-I185 HydrophobicContact CG-CG2 4.31Å; V117-I185 HydrophobicContact CG1-CG1 4.37Å; F133-I185 HydrophobicContact CE1-CD1 3.92Å; F133-I185 HydrophobicContact CZ-CD1 3.78Å; M170-I185 HydrophobicContact CB-CG2 4.01Å; M170-I185 WeakPolarHBondContact CE-O 3.5Å; M170-I185 HydrophobicContact CG-CB 4.45Å; M170-I185 HydrophobicContact CG-CG2 4.11Å; N174-I185 HydrophobicContact CB-CB 4.33Å; N174-I185 PolarHBondContact OD1-N 2.83Å; M183-I185 HydrophobicContact CG-CD1 4.42Å; M183-I185 HydrophobicContact CG-CG1 4.01Å; M183-I185 HydrophobicContact SD-CD1 3.78Å; M183-I185 HydrophobicContact SD-CG1 3.93Å |
| 186 | Q | 90.5 | Very high | 74.4 | Confident | 98 Ų | 98 | 83.7 Ų | 83.7 | 46% | 0.458 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130.4 | 179 | -63.2 | -174 | -9 | 0 | 0 | 110.7 | L115 L116 V188 | L115-Q186 CarbonylContact C-O 3.5Å; L115-Q186 WeakPolarHBondContact CA-O 3.39Å; L116-Q186 PolarHBondContact N-O 3.03Å; L116-Q186 PolarHBondContact O-N 3.21Å; Q186-V188 PolarHBondContact O-N 3.04Å |
| 187 | L | 89.3 | Confident | 72.5 | Confident | 40 Ų | 40 | 90.7 Ų | 90.7 | 21% | 0.209 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 108.4 | 169.7 | 179.5 | 71.4 | 0 | 0 | 0 | 109.3 | L115 A166 L167 M170 T189 | L115-L187 HydrophobicContact CD2-CB 4.18Å; L115-L187 HydrophobicContact CD2-CD1 3.8Å; A166-L187 HydrophobicContact CB-CD1 4.36Å; L167-L187 HydrophobicContact CD2-CD2 3.89Å; M170-L187 HydrophobicContact SD-CB 3.71Å; L187-T189 HydrophobicContact CD2-CG2 3.99Å; L187-T189 HydrophobicContact CG-CG2 4.18Å; L187-T189 PolarHBondContact O-N 3.38Å; L187-T189 VanDerWaalsContact O-N 3.07Å |
| 188 | V | 86.9 | Confident | 70.6 | Confident | 54 Ų | 54 | 91.8 Ų | 91.8 | 33% | 0.327 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 90.7 | 168.5 | -176.4 | 0 | 0 | 0 | 0 | 107.5 | K114 L116 Q186 S190 | K114-V188 HydrophobicContact CB-CB 4.21Å; K114-V188 HydrophobicContact CD-CB 4.1Å; K114-V188 HydrophobicContact CD-CG1 4.07Å; K114-V188 HydrophobicContact CG-CB 4.01Å; K114-V188 PolarHBondContact O-N 3.36Å; L116-V188 HydrophobicContact CB-CG2 3.52Å; Q186-V188 PolarHBondContact O-N 3.04Å; V188-S190 PolarHBondContact O-N 3.36Å; V188-S190 VanDerWaalsContact O-N 3.07Å |
| 189 | T | 69.3 | Low | 69.2 | Low | 74 Ų | 74 | 94.4 Ų | 94.4 | 45% | 0.454 | 51% | 0.508 | S | S | . | . | trans | -65.2 | 109.3 | 160 | 53.1 | 0 | 0 | 0 | 0 | 107.5 | L187 Q191 | L187-T189 HydrophobicContact CD2-CG2 3.99Å; L187-T189 HydrophobicContact CG-CG2 4.18Å; L187-T189 PolarHBondContact O-N 3.38Å; L187-T189 VanDerWaalsContact O-N 3.07Å; T189-Q191 PolarHBondContact O-N 3.08Å | ||
| 190 | S | 58 | Low | 67.4 | Low | 80 Ų | 80 | 97 Ų | 97 | 56% | 0.559 | 52% | 0.517 | S | S | * | . | trans | -67.7 | 56.8 | 158.3 | 41.2 | 0 | 0 | 0 | 0 | 109.6 | V188 I192 | V188-S190 PolarHBondContact O-N 3.36Å; V188-S190 VanDerWaalsContact O-N 3.07Å; S190-I192 PolarHBondContact O-N 2.89Å | ||
| 191 | Q | 52.7 | Low | 66 | Low | 128 Ų | 128 | 98.2 Ų | 98.2 | 60% | 0.598 | 51% | 0.514 | S | S | * | . | trans | -65 | 94.2 | 161 | -171.5 | 150.5 | -43 | 0 | 0 | 104.5 | T189 D193 | T189-Q191 PolarHBondContact O-N 3.08Å; Q191-D193 HydrophobicContact CG-CB 4.06Å; Q191-D193 PolarHBondContact NE2-OD2 3.09Å; Q191-D193 PolarHBondContact O-N 3.11Å | ||
| 192 | I | 48.5 | Very low | 64.3 | Low | 139 Ų | 139 | 99.7 Ų | 99.7 | 71% | 0.713 | 53% | 0.532 | S | S | * | . | trans | -52.6 | 97.2 | 140 | -65.8 | 177 | 0 | 0 | 0 | 102.7 | S190 T194 | S190-I192 PolarHBondContact O-N 2.89Å; I192-T194 PolarHBondContact O-N 2.87Å | ||
| 193 | D | 46.9 | Very low | 62.7 | Low | 81 Ų | 81 | 103.1 Ų | 103.1 | 43% | 0.433 | 55% | 0.547 | S | S | . | . | trans | -72.3 | 82.1 | -179.3 | -154.4 | -157 | 0 | 0 | 0 | 104.9 | Q191 Q195 | Q191-D193 HydrophobicContact CG-CB 4.06Å; Q191-D193 PolarHBondContact NE2-OD2 3.09Å; Q191-D193 PolarHBondContact O-N 3.11Å; D193-Q195 HydrophobicContact CB-CG 4.41Å; D193-Q195 PolarHBondContact O-N 3.44Å; D193-Q195 VanDerWaalsContact OD1-CG 3.28Å; D193-Q195 WeakPolarHBondContact OD1-CG 3.32Å; D193-Q195 PolarHBondContact OD1-NE2 3.04Å | ||
| 194 | T | 49 | Very low | 60.4 | Low | 111 Ų | 111 | 113.2 Ų | 113.2 | 68% | 0.681 | 58% | 0.584 | S | S | * | * | trans | -59.1 | 71.1 | 139.6 | 58.4 | 0 | 0 | 0 | 0 | 106.6 | I192 R196 | I192-T194 PolarHBondContact O-N 2.87Å; T194-R196 PolarHBondContact O-N 2.83Å | ||
| 195 | Q | 46.9 | Very low | 58.5 | Low | 131 Ų | 131 | 114.2 Ų | 114.2 | 61% | 0.612 | 61% | 0.609 | S | S | * | * | trans | -41.3 | 85.4 | 135 | -73.2 | -71 | -34.3 | 0 | 0 | 105.4 | D193 R197 | D193-Q195 HydrophobicContact CB-CG 4.41Å; D193-Q195 PolarHBondContact O-N 3.44Å; D193-Q195 VanDerWaalsContact OD1-CG 3.28Å; D193-Q195 WeakPolarHBondContact OD1-CG 3.32Å; D193-Q195 PolarHBondContact OD1-NE2 3.04Å; Q195-R197 PolarHBondContact O-N 2.72Å | ||
| 196 | R | 53.5 | Low | 56.1 | Low | 224 Ų | 224 | 117.1 Ų | 117.1 | 85% | 0.845 | 64% | 0.639 | S | S | * | * | trans | -59.1 | 76.5 | 141.5 | -73 | -176.2 | 172.6 | -128.4 | 2.4 | 104.3 | T194 P198 | T194-R196 PolarHBondContact O-N 2.83Å; R196-P198 WeakPolarHBondContact O-CD 3.28Å | ||
| 197 | R | 45.2 | Very low | 53.9 | Low | 207 Ų | 207 | 119.1 Ų | 119.1 | 78% | 0.781 | 65% | 0.65 | S | S | * | * | trans | -39.7 | 115.8 | 146.9 | -86.1 | -178.4 | 128.4 | -148.7 | -1.5 | 103 | Q195 A199 | Q195-R197 PolarHBondContact O-N 2.72Å; R197-A199 PolarHBondContact O-N 2.73Å | ||
| 198 | P | 47.1 | Very low | 51.6 | Low | 112 Ų | 112 | 123.7 Ų | 123.7 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | trans | -54 | 115.2 | 171.4 | 22.4 | -31.3 | 0 | 0 | 0 | 104 | R196 Q200 | R196-P198 WeakPolarHBondContact O-CD 3.28Å; P198-Q200 VanDerWaalsContact C-N 3.28Å; P198-Q200 PolarHBondContact O-N 3.39Å | ||
| 199 | A | 53 | Low | 49.4 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 80% | 0.802 | 70% | 0.701 | S | S | * | * | trans | -60.5 | 104 | -177.5 | 0 | 0 | 0 | 0 | 0 | 104.3 | R197 S201 | R197-A199 PolarHBondContact O-N 2.73Å; A199-S201 VanDerWaalsContact C-N 3.3Å; A199-S201 PolarHBondContact O-N 3.39Å | ||
| 200 | Q | 44.8 | Very low | 48.2 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | trans | -61.6 | 105.7 | -178.8 | -75.1 | -171.8 | -59.8 | 0 | 0 | 104.8 | P198 V202 | P198-Q200 VanDerWaalsContact C-N 3.28Å; P198-Q200 PolarHBondContact O-N 3.39Å; Q200-V202 PolarHBondContact O-N 2.89Å | ||
| 201 | S | 54.3 | Low | 47.2 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | -61.2 | 88.3 | 170.6 | 177.6 | 0 | 0 | 0 | 0 | 105.7 | A199 N203 | A199-S201 VanDerWaalsContact C-N 3.3Å; A199-S201 PolarHBondContact O-N 3.39Å; S201-N203 PolarHBondContact O-N 2.68Å; S201-N203 PolarHBondContact O-OD1 2.83Å; S201-N203 PolarHBondContact OG-OD1 3.01Å | ||
| 202 | V | 51.7 | Low | 46.3 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | trans | -70.5 | 89.6 | 168.3 | -78.3 | 0 | 0 | 0 | 0 | 105.1 | Q200 R204 | Q200-V202 PolarHBondContact O-N 2.89Å; V202-R204 PolarHBondContact O-N 2.85Å | ||
| 203 | N | 54 | Low | 45.8 | Very low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -60.5 | 66.7 | 161.5 | -75.6 | 64.1 | 0 | 0 | 0 | 108.8 | S201 G205 | S201-N203 PolarHBondContact O-N 2.68Å; S201-N203 PolarHBondContact O-OD1 2.83Å; S201-N203 PolarHBondContact OG-OD1 3.01Å; N203-G205 VanDerWaalsContact C-N 3.3Å; N203-G205 PolarHBondContact O-N 2.7Å | ||
| 204 | R | 43.9 | Very low | 45.3 | Very low | 216 Ų | 216 | 138.4 Ų | 138.4 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | trans | -78.1 | 90.2 | 169.2 | -174.3 | 176.1 | -68 | 177.9 | -0 | 105.8 | V202 G206 | V202-R204 PolarHBondContact O-N 2.85Å; R204-G206 PolarHBondContact O-N 2.85Å | ||
| 205 | G | 50.4 | Low | 44.7 | Very low | 82 Ų | 82 | 136.6 Ų | 136.6 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | -48.6 | 106.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | N203 | N203-G205 VanDerWaalsContact C-N 3.3Å; N203-G205 PolarHBondContact O-N 2.7Å | ||
| 206 | G | 42.1 | Very low | 43.9 | Very low | 62 Ų | 62 | 140.9 Ų | 140.9 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | trans | -124.2 | 94.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | R204 T208 | R204-G206 PolarHBondContact O-N 2.85Å; G206-T208 PolarHBondContact O-N 3.18Å | ||
| 207 | M | 44.4 | Very low | 43 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 69% | 0.69 | 79% | 0.793 | S | S | * | * | trans | -51.8 | 106.8 | -176.9 | -173.4 | 71.3 | 174.3 | 0 | 0 | 111.9 | R209 | M207-R209 HydrophobicContact CE-CG 3.99Å; M207-R209 HydrophobicContact CG-CB 4.44Å; M207-R209 HydrophobicContact CG-CG 3.78Å; M207-R209 PolarHBondContact O-N 2.78Å | ||
| 208 | T | 40.5 | Very low | 42.5 | Very low | 137 Ų | 137 | 128 Ų | 128 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -73.6 | 76.3 | 170.1 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | G206 N210 | G206-T208 PolarHBondContact O-N 3.18Å; T208-N210 PolarHBondContact O-N 2.75Å | ||
| 209 | R | 41.2 | Very low | 41.9 | Very low | 200 Ų | 200 | 126.9 Ų | 126.9 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -86.3 | 94.6 | 165.3 | -88.9 | 171.7 | -177.9 | 163.8 | 3.3 | 108.2 | M207 R211 | M207-R209 HydrophobicContact CE-CG 3.99Å; M207-R209 HydrophobicContact CG-CB 4.44Å; M207-R209 HydrophobicContact CG-CG 3.78Å; M207-R209 PolarHBondContact O-N 2.78Å; R209-R211 PolarHBondContact O-N 3.06Å | ||
| 210 | N | 44.6 | Very low | 40.9 | Very low | 159 Ų | 159 | 126 Ų | 126 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -51.4 | 107 | 171.1 | -175.1 | 35 | 0 | 0 | 0 | 111.3 | T208 | T208-N210 PolarHBondContact O-N 2.75Š| ||
| 211 | R | 36.8 | Very low | 40.4 | Very low | 241 Ų | 241 | 121.4 Ų | 121.4 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -163.3 | 111.6 | 171.8 | -172.4 | -174.5 | -67 | -178.1 | -2.9 | 108.8 | R209 | R209-R211 PolarHBondContact O-N 3.06Š| ||
| 212 | G | 34.3 | Very low | 39.4 | Very low | 70 Ų | 70 | 122 Ų | 122 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | cis | -179.2 | 178.4 | -6.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 213 | A | 36.6 | Very low | 38.9 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | trans | -135.3 | 151.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 214 | G | 36.6 | Very low | 37.9 | Very low | 88 Ų | 88 | 130.6 Ų | 130.6 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | trans | -70.9 | 152.9 | -159 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 215 | G | 36.2 | Very low | 37.5 | Very low | 74 Ų | 74 | 123.5 Ų | 123.5 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | -163.3 | 127.6 | 172 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 216 | F | 31.7 | Very low | 36.8 | Very low | 221 Ų | 221 | 126 Ų | 126 | 97% | 0.969 | 80% | 0.803 | S | S | * | * | trans | -72.9 | 150.7 | -168.7 | -69.6 | -108.5 | 0 | 0 | 0 | 114 | ||||
| 217 | G | 34 | Very low | 36.5 | Very low | 81 Ų | 81 | 134.6 Ų | 134.6 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | 123.5 | 116.8 | 139.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 218 | G | 35.3 | Very low | 36 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | 104.3 | 105.2 | 137.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 219 | G | 32.7 | Very low | 35.8 | Very low | 87 Ų | 87 | 129 Ų | 129 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | trans | 67 | 147.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 220 | G | 32.1 | Very low | 35.5 | Very low | 78 Ų | 78 | 123.8 Ų | 123.8 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | cis | 152.1 | 112 | 1.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 221 | G | 35.2 | Very low | 35.1 | Very low | 73 Ų | 73 | 128.3 Ų | 128.3 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | trans | 73.1 | 156.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 222 | T | 34.2 | Very low | 35.2 | Very low | 109 Ų | 109 | 120.8 Ų | 120.8 | 67% | 0.669 | 82% | 0.824 | S | S | * | * | cis | 167.3 | 130.6 | -19.2 | -101.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 223 | R | 39.5 | Very low | 35.4 | Very low | 215 Ų | 215 | 130 Ų | 130 | 81% | 0.811 | 84% | 0.837 | S | S | * | * | trans | 66.3 | 159.4 | 170.2 | -63.9 | 156 | -154.4 | -169 | 6.2 | 115.1 | ||||
| 224 | R | 33.2 | Very low | 35.3 | Very low | 224 Ų | 224 | 128.7 Ų | 128.7 | 85% | 0.845 | 83% | 0.834 | S | S | * | * | cis | -153.8 | 136.2 | 0 | -122.3 | 163.7 | -172.7 | 161.8 | -0.6 | 104.4 | ||||
| 225 | G | 35.7 | Very low | 35.5 | Very low | 67 Ų | 67 | 136.9 Ų | 136.9 | 69% | 0.691 | 84% | 0.837 | S | S | * | * | 72.9 | 107.3 | 64.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 226 | T | 36.9 | Very low | 35.4 | Very low | 134 Ų | 134 | 137 Ų | 137 | 82% | 0.822 | 84% | 0.838 | S | S | * | * | trans | -176.2 | 137.1 | 146 | -78.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 227 | R | 35.5 | Very low | 35.5 | Very low | 243 Ų | 243 | 131.5 Ų | 131.5 | 92% | 0.917 | 83% | 0.834 | S | S | * | * | trans | -10.5 | 154.9 | 159.7 | -59.3 | 165.1 | 170.8 | 149 | -5.5 | 119.3 | ||||
| 228 | G | 33.5 | Very low | 35.8 | Very low | 76 Ų | 76 | 131.1 Ų | 131.1 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | cis | 146.6 | 152.1 | 9.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 229 | G | 35.4 | Very low | 36 | Very low | 84 Ų | 84 | 138.9 Ų | 138.9 | 87% | 0.866 | 83% | 0.834 | S | S | * | * | trans | 73.8 | 165.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 230 | A | 35.5 | Very low | 36.8 | Very low | 89 Ų | 89 | 143.1 Ų | 143.1 | 74% | 0.736 | 84% | 0.836 | S | S | * | * | cis | -166.4 | 144.3 | -22.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 231 | R | 37.4 | Very low | 37.4 | Very low | 255 Ų | 255 | 144.2 Ų | 144.2 | 96% | 0.962 | 83% | 0.831 | S | S | * | * | trans | 52.9 | 121.7 | 153.2 | -62.2 | 172.9 | -178.8 | 164.1 | 0.2 | 120.7 | ||||
| 232 | G | 37.2 | Very low | 37.9 | Very low | 82 Ų | 82 | 149.6 Ų | 149.6 | 85% | 0.845 | 83% | 0.834 | S | S | * | * | trans | -158.5 | 117 | 156.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 233 | R | 39.4 | Very low | 38.7 | Very low | 263 Ų | 263 | 153 Ų | 153 | 99% | 0.992 | 84% | 0.842 | S | S | * | * | trans | -87 | 146.4 | 176.3 | -82.3 | 175.3 | 165.4 | 173.4 | -5.7 | 110.5 | ||||
| 234 | G | 34.5 | Very low | 39.1 | Very low | 79 Ų | 79 | 151.2 Ų | 151.2 | 81% | 0.814 | 84% | 0.843 | S | S | * | * | trans | -173.6 | 102.8 | 165 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 235 | R | 41.6 | Very low | 40.3 | Very low | 261 Ų | 261 | 145.3 Ų | 145.3 | 99% | 0.985 | 83% | 0.828 | S | S | * | * | trans | -84.7 | 139.1 | 163.8 | -75 | 175.8 | 168.4 | 175.7 | -5.6 | 108.1 | ||||
| 236 | G | 32.8 | Very low | 41.5 | Very low | 76 Ų | 76 | 144.6 Ų | 144.6 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | -173.9 | 123.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 237 | A | 34.8 | Very low | 42.7 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | trans | -25.9 | 140.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 238 | G | 39.2 | Very low | 44.1 | Very low | 72 Ų | 72 | 137.5 Ų | 137.5 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | -77.4 | 160.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 239 | R | 40.5 | Very low | 45.5 | Very low | 244 Ų | 244 | 139 Ų | 139 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -157.4 | 138.7 | 153.9 | -103.9 | 165.8 | -149.3 | -176.1 | 5.3 | 108.8 | S241 | R239-S241 PolarHBondContact O-N 3.33Š| ||
| 240 | N | 48.8 | Very low | 46.9 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 94% | 0.941 | 76% | 0.759 | S | S | * | * | trans | -83.8 | 104.7 | 179.6 | -148.2 | 15.6 | 0 | 0 | 0 | 107.9 | ||||
| 241 | S | 43.7 | Very low | 48.3 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | trans | -127.3 | 79.1 | 178.5 | 60 | 0 | 0 | 0 | 0 | 110.9 | R239 Q243 | R239-S241 PolarHBondContact O-N 3.33Å; S241-Q243 PolarHBondContact O-N 3.25Å; S241-Q243 VanDerWaalsContact O-N 3.17Å | ||
| 242 | K | 46.4 | Very low | 50 | Low | 186 Ų | 186 | 130.6 Ų | 130.6 | 81% | 0.809 | 73% | 0.729 | S | S | * | * | trans | -63 | 111.1 | 160.3 | -174.1 | 175.3 | -177.5 | -176.8 | 0 | 106.8 | Q244 | K242-Q244 PolarHBondContact O-N 3.31Š| ||
| 243 | Q | 51.2 | Low | 51.5 | Low | 181 Ų | 181 | 133.1 Ų | 133.1 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | trans | -58.3 | 108 | 173.4 | -73.5 | 169.7 | -53.3 | 0 | 0 | 108.1 | S241 | S241-Q243 PolarHBondContact O-N 3.25Å; S241-Q243 VanDerWaalsContact O-N 3.17Å | ||
| 244 | Q | 48.6 | Very low | 52.9 | Low | 178 Ų | 178 | 125.3 Ų | 125.3 | 83% | 0.832 | 70% | 0.696 | S | S | * | * | trans | -87.2 | 112.9 | 163.9 | -62 | -170.5 | 79.4 | 0 | 0 | 105 | K242 | K242-Q244 PolarHBondContact O-N 3.31Š| ||
| 245 | L | 58.6 | Low | 54.7 | Low | 100 Ų | 100 | 127.1 Ų | 127.1 | 52% | 0.524 | 69% | 0.687 | S | S | . | * | trans | -57.7 | 137.9 | 159.6 | -76.4 | 73.1 | 0 | 0 | 0 | 106.2 | ||||
| 246 | S | 60.3 | Low | 56.3 | Low | 51 Ų | 51 | 117.9 Ų | 117.9 | 36% | 0.357 | 67% | 0.666 | S | S | . | * | trans | -67.6 | 153.2 | 179.8 | 63.2 | 0 | 0 | 0 | 0 | 109.8 | E248 E249 L250 | S246-E248 PolarHBondContact O-N 2.92Å; S246-E249 PolarHBondContact O-N 3.31Å; S246-E249 VanDerWaalsContact O-N 3.12Å; S246-E249 PolarHBondContact OG-N 3.49Å; S246-L250 PolarHBondContact O-N 3.33Å | ||
| 247 | A | 61.1 | Low | 58 | Low | 69 Ų | 69 | 120.6 Ų | 120.6 | 57% | 0.57 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -57.2 | -35.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | E249 L250 D251 | A247-E249 PolarHBondContact O-N 3.16Å; A247-L250 WeakPolarHBondContact O-CB 3.28Å; A247-L250 PolarHBondContact O-N 3.44Å; A247-L250 VanDerWaalsContact O-N 3.09Å; A247-D251 PolarHBondContact O-N 3.24Å |
| 248 | E | 65.3 | Low | 59.7 | Low | 159 Ų | 159 | 119.2 Ų | 119.2 | 74% | 0.743 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.9 | -33.9 | 177.9 | -63.7 | 167.3 | 136.6 | 0 | 0 | 113.2 | S246 L250 A252 | S246-E248 PolarHBondContact O-N 2.92Å; E248-L250 VanDerWaalsContact C-N 3.31Å; E248-A252 VanDerWaalsContact O-CB 3.28Å; E248-A252 WeakPolarHBondContact O-CB 3.49Å; E248-A252 PolarHBondContact O-N 2.85Å |
| 249 | E | 63.7 | Low | 61.2 | Low | 109 Ų | 109 | 118.9 Ų | 118.9 | 51% | 0.509 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -70.8 | -27.7 | 173.8 | -74.1 | -178.5 | 147.8 | 0 | 0 | 112.5 | S246 A247 Q253 | S246-E249 PolarHBondContact O-N 3.31Å; S246-E249 VanDerWaalsContact O-N 3.12Å; S246-E249 PolarHBondContact OG-N 3.49Å; A247-E249 PolarHBondContact O-N 3.16Å; E249-Q253 WeakPolarHBondContact O-CG 3.47Å; E249-Q253 PolarHBondContact O-N 2.96Å |
| 250 | L | 63.7 | Low | 62.3 | Low | 88 Ų | 88 | 115.7 Ų | 115.7 | 46% | 0.461 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -79 | -41.4 | 176.9 | -66.6 | 168.6 | 0 | 0 | 0 | 111.5 | S246 A247 E248 Q253 L254 | S246-L250 PolarHBondContact O-N 3.33Å; A247-L250 WeakPolarHBondContact O-CB 3.28Å; A247-L250 PolarHBondContact O-N 3.44Å; A247-L250 VanDerWaalsContact O-N 3.09Å; E248-L250 VanDerWaalsContact C-N 3.31Å; L250-Q253 PolarHBondContact O-N 3.09Å; L250-L254 PolarHBondContact O-N 3.12Å; L250-L254 VanDerWaalsContact O-N 3.09Å |
| 251 | D | 65.6 | Low | 63 | Low | 101 Ų | 101 | 112.2 Ų | 112.2 | 54% | 0.54 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.8 | -41.2 | 176.2 | -71 | -13.9 | 0 | 0 | 0 | 111.2 | A247 Q253 L254 D255 | A247-D251 PolarHBondContact O-N 3.24Å; D251-Q253 VanDerWaalsContact C-N 3.29Å; D251-Q253 PolarHBondContact O-N 3.44Å; D251-L254 WeakPolarHBondContact O-CB 3.34Å; D251-L254 PolarHBondContact O-N 3.09Å; D251-L254 VanDerWaalsContact O-N 3.09Å; D251-D255 PolarHBondContact O-N 3.34Å |
| 252 | A | 73.8 | Confident | 63.6 | Low | 62 Ų | 62 | 114 Ų | 114 | 51% | 0.512 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.8 | -32.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | E248 A256 | E248-A252 VanDerWaalsContact O-CB 3.28Å; E248-A252 WeakPolarHBondContact O-CB 3.49Å; E248-A252 PolarHBondContact O-N 2.85Å; A252-A256 VanDerWaalsContact O-CB 3.31Å; A252-A256 WeakPolarHBondContact O-CB 3.44Å; A252-A256 PolarHBondContact O-N 3.17Å; A252-A256 VanDerWaalsContact O-N 3.14Å |
| 253 | Q | 68.6 | Low | 64.3 | Low | 134 Ų | 134 | 110.4 Ų | 110.4 | 63% | 0.626 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.6 | -30.6 | 172.8 | -81.7 | -172.9 | 7.5 | 0 | 0 | 113.1 | E249 L250 D251 Y257 | E249-Q253 WeakPolarHBondContact O-CG 3.47Å; E249-Q253 PolarHBondContact O-N 2.96Å; L250-Q253 PolarHBondContact O-N 3.09Å; D251-Q253 VanDerWaalsContact C-N 3.29Å; D251-Q253 PolarHBondContact O-N 3.44Å; Q253-Y257 WeakPolarHBondContact O-CB 3.46Å; Q253-Y257 PolarHBondContact O-N 3.23Å; Q253-Y257 VanDerWaalsContact O-N 3.15Å |
| 254 | L | 68.1 | Low | 64.3 | Low | 100 Ų | 100 | 110.4 Ų | 110.4 | 52% | 0.524 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.3 | -47.9 | 174 | -86.6 | 159.6 | 0 | 0 | 0 | 111.5 | L250 D251 A256 Y257 N258 | L250-L254 PolarHBondContact O-N 3.12Å; L250-L254 VanDerWaalsContact O-N 3.09Å; D251-L254 WeakPolarHBondContact O-CB 3.34Å; D251-L254 PolarHBondContact O-N 3.09Å; D251-L254 VanDerWaalsContact O-N 3.09Å; L254-A256 PolarHBondContact O-N 3.09Å; L254-Y257 PolarHBondContact O-N 3.15Å; L254-Y257 VanDerWaalsContact O-N 3.16Å; L254-N258 VanDerWaalsContact O-CG 3.23Å; L254-N258 PolarHBondContact O-N 2.95Å; L254-N258 PolarHBondContact O-ND2 3.08Å |
| 255 | D | 73.3 | Confident | 65.1 | Low | 116 Ų | 116 | 107 Ų | 107 | 62% | 0.62 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.2 | -40.2 | 178.2 | -90.6 | -1.7 | 0 | 0 | 0 | 112.6 | D251 Y257 N258 A259 | D251-D255 PolarHBondContact O-N 3.34Å; D255-Y257 PolarHBondContact O-N 3.34Å; D255-N258 PolarHBondContact O-N 3.41Å; D255-A259 WeakPolarHBondContact O-CB 3.31Å; D255-A259 PolarHBondContact O-N 3.29Å |
| 256 | A | 73.7 | Confident | 65.4 | Low | 67 Ų | 67 | 107.4 Ų | 107.4 | 55% | 0.554 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.4 | -28.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A252 L254 | A252-A256 VanDerWaalsContact O-CB 3.31Å; A252-A256 WeakPolarHBondContact O-CB 3.44Å; A252-A256 PolarHBondContact O-N 3.17Å; A252-A256 VanDerWaalsContact O-N 3.14Å; L254-A256 PolarHBondContact O-N 3.09Å |
| 257 | Y | 68.5 | Low | 65.7 | Low | 134 Ų | 134 | 110.5 Ų | 110.5 | 53% | 0.525 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -78.2 | -40.7 | 174.8 | -175.1 | -94.4 | 0 | 0 | 0 | 112 | Q253 L254 D255 R260 M261 | Q253-Y257 WeakPolarHBondContact O-CB 3.46Å; Q253-Y257 PolarHBondContact O-N 3.23Å; Q253-Y257 VanDerWaalsContact O-N 3.15Å; L254-Y257 PolarHBondContact O-N 3.15Å; L254-Y257 VanDerWaalsContact O-N 3.16Å; D255-Y257 PolarHBondContact O-N 3.34Å; Y257-R260 PolarHBondContact O-N 3.14Å; Y257-M261 HydrophobicContact CD1-CG 4.45Å; Y257-M261 HydrophobicContact CE1-CE 4.05Å; Y257-M261 HydrophobicContact CE1-CG 4.14Å; Y257-M261 HydrophobicContact CE2-CE 3.8Å; Y257-M261 VanDerWaalsContact CZ-CE 3.44Å; Y257-M261 WeakPolarHBondContact O-CG 3.28Å; Y257-M261 PolarHBondContact O-N 3.03Å; Y257-M261 VanDerWaalsContact OH-CE 3.28Å; Y257-M261 WeakPolarHBondContact OH-CE 3.41Å |
| 258 | N | 72.1 | Confident | 66 | Low | 77 Ų | 77 | 112.9 Ų | 112.9 | 41% | 0.412 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.2 | -50.8 | 176.8 | -66.4 | -23.6 | 0 | 0 | 0 | 110.9 | L254 D255 R260 M261 D262 | L254-N258 VanDerWaalsContact O-CG 3.23Å; L254-N258 PolarHBondContact O-N 2.95Å; L254-N258 PolarHBondContact O-ND2 3.08Å; D255-N258 PolarHBondContact O-N 3.41Å; N258-R260 PolarHBondContact O-N 3.33Å; N258-R260 VanDerWaalsContact O-N 3.08Å; N258-M261 PolarHBondContact O-N 3.04Å; N258-D262 PolarHBondContact O-N 3.39Å |
| 259 | A | 69 | Low | 66 | Low | 64 Ų | 64 | 110.1 Ų | 110.1 | 53% | 0.529 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -59 | -26 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D255 | D255-A259 WeakPolarHBondContact O-CB 3.31Å; D255-A259 PolarHBondContact O-N 3.29Å |
| 260 | R | 63.6 | Low | 66.2 | Low | 177 Ų | 177 | 110.1 Ų | 110.1 | 67% | 0.668 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -76.3 | -28.1 | 173.2 | 173 | 176.2 | 170 | -178.9 | -3 | 113.1 | Y257 N258 T263 | Y257-R260 PolarHBondContact O-N 3.14Å; N258-R260 PolarHBondContact O-N 3.33Å; N258-R260 VanDerWaalsContact O-N 3.08Å; R260-T263 PolarHBondContact O-OG1 2.96Å |
| 261 | M | 64.4 | Low | 66.4 | Low | 103 Ų | 103 | 111.7 Ų | 111.7 | 51% | 0.507 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -85.4 | -22 | -178.6 | -70.2 | -60.3 | -178.7 | 0 | 0 | 113.4 | Y257 N258 T263 | Y257-M261 HydrophobicContact CD1-CG 4.45Å; Y257-M261 HydrophobicContact CE1-CE 4.05Å; Y257-M261 HydrophobicContact CE1-CG 4.14Å; Y257-M261 HydrophobicContact CE2-CE 3.8Å; Y257-M261 VanDerWaalsContact CZ-CE 3.44Å; Y257-M261 WeakPolarHBondContact O-CG 3.28Å; Y257-M261 PolarHBondContact O-N 3.03Å; Y257-M261 VanDerWaalsContact OH-CE 3.28Å; Y257-M261 WeakPolarHBondContact OH-CE 3.41Å; N258-M261 PolarHBondContact O-N 3.04Å; M261-T263 PolarHBondContact O-N 3.48Å |
| 262 | D | 57.2 | Low | 66.4 | Low | 139 Ų | 139 | 112.5 Ų | 112.5 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 7.4 | 177 | -66.8 | -51.6 | 0 | 0 | 0 | 114.4 | N258 | N258-D262 PolarHBondContact O-N 3.39Š|
| 263 | T | 59.4 | Low | 65.8 | Low | 110 Ų | 110 | 116.8 Ų | 116.8 | 68% | 0.675 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126 | 33 | -176 | 54.1 | 0 | 0 | 0 | 0 | 114.3 | R260 M261 | R260-T263 PolarHBondContact O-OG1 2.96Å; M261-T263 PolarHBondContact O-N 3.48Å |
| 264 | S | 52.1 | Low | 65.6 | Low | 180 Ų | 180 | 115.2 Ų | 115.2 | 100% | 1.259 | 64% | 0.638 | S | S | * | * | trans | -145.3 | 0 | 172.9 | -70 | 0 | 0 | 0 | 0 | 113.3 |
Retrieved 264 of 264 residues in 75.8 ms
(Link to these results)