| 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 | 37.8 | Very low | 49.1 | Very low | 251 Ų | 251 | 138.7 Ų | 138.7 | 100% | 1.236 | 85% | 0.851 | S | S | * | * | 0 | 101.3 | 0 | -73.9 | -164.4 | 172.8 | 0 | 0 | 108.6 | |||||
| 2 | A | 36.6 | Very low | 51.4 | Low | 98 Ų | 98 | 138.1 Ų | 138.1 | 81% | 0.81 | 85% | 0.847 | S | S | * | * | trans | -94.1 | 116.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | V4 | A2-V4 PolarHBondContact O-N 2.95Š| ||
| 3 | A | 43.3 | Very low | 53.7 | Low | 97 Ų | 97 | 142.9 Ų | 142.9 | 80% | 0.802 | 84% | 0.84 | S | S | * | * | trans | -78.6 | 111 | 177 | 0 | 0 | 0 | 0 | 0 | 109.8 | K5 | A3-K5 PolarHBondContact O-N 3.48Š| ||
| 4 | V | 48.1 | Very low | 56.1 | Low | 138 Ų | 138 | 136.9 Ų | 136.9 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -69.3 | 108.6 | 170.4 | 175.4 | 0 | 0 | 0 | 0 | 108 | A2 A6 | A2-V4 PolarHBondContact O-N 2.95Å; V4-A6 PolarHBondContact O-N 3.33Å | ||
| 5 | K | 49.6 | Very low | 58.1 | Low | 198 Ų | 198 | 140.2 Ų | 140.2 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -77.9 | 106.4 | 170.1 | -73.7 | -177.8 | 176.7 | 177.5 | 0 | 108.4 | A3 S7 | A3-K5 PolarHBondContact O-N 3.48Å; K5-S7 PolarHBondContact O-N 2.77Å | ||
| 6 | A | 47.4 | Very low | 59.8 | Low | 88 Ų | 88 | 138.5 Ų | 138.5 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -64.9 | 117.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V4 T8 | V4-A6 PolarHBondContact O-N 3.33Å; A6-T8 PolarHBondContact O-N 3.39Å | ||
| 7 | S | 48.7 | Very low | 61.4 | Low | 122 Ų | 122 | 133.7 Ų | 133.7 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -66.8 | 109.7 | 168.9 | -77.9 | 0 | 0 | 0 | 0 | 109.4 | K5 S9 | K5-S7 PolarHBondContact O-N 2.77Å; S7-S9 PolarHBondContact O-N 2.85Å; S7-S9 VanDerWaalsContact O-N 3.1Å | ||
| 8 | T | 52.3 | Low | 63.1 | Low | 132 Ų | 132 | 131.8 Ų | 131.8 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | trans | -71.8 | 99.7 | 167.5 | 47 | 0 | 0 | 0 | 0 | 108.3 | A6 K10 | A6-T8 PolarHBondContact O-N 3.39Å; T8-K10 PolarHBondContact O-N 3.16Å | ||
| 9 | S | 54.1 | Low | 64.6 | Low | 113 Ų | 113 | 129.9 Ų | 129.9 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | trans | -60 | 111.1 | 170.8 | 54.1 | 0 | 0 | 0 | 0 | 108.7 | S7 A11 | S7-S9 PolarHBondContact O-N 2.85Å; S7-S9 VanDerWaalsContact O-N 3.1Å; S9-A11 PolarHBondContact O-N 3.23Å; S9-A11 VanDerWaalsContact O-N 3.11Å | ||
| 10 | K | 60.3 | Low | 65.9 | Low | 192 Ų | 192 | 128.9 Ų | 128.9 | 84% | 0.835 | 73% | 0.73 | S | S | * | * | trans | -59.6 | 115.7 | 169.4 | -68.8 | -176.1 | 177.5 | 179.3 | 0 | 107.4 | T8 T12 | T8-K10 PolarHBondContact O-N 3.16Å; K10-T12 VanDerWaalsContact C-N 3.35Å; K10-T12 PolarHBondContact O-N 2.92Å | ||
| 11 | A | 61.6 | Low | 67.2 | Low | 97 Ų | 97 | 127.2 Ų | 127.2 | 80% | 0.802 | 71% | 0.713 | S | S | * | * | trans | -61.3 | 99.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | S9 R13 | S9-A11 PolarHBondContact O-N 3.23Å; S9-A11 VanDerWaalsContact O-N 3.11Å; A11-R13 PolarHBondContact O-N 2.79Å; A11-R13 VanDerWaalsContact O-N 3.09Å | ||
| 12 | T | 77.1 | Confident | 69.8 | Low | 131 Ų | 131 | 117.6 Ų | 117.6 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | -59.4 | 114.4 | 174.4 | -56.4 | 0 | 0 | 0 | 0 | 107.2 | K10 | K10-T12 VanDerWaalsContact C-N 3.35Å; K10-T12 PolarHBondContact O-N 2.92Å | ||
| 13 | R | 81.5 | Confident | 72.6 | Confident | 201 Ų | 201 | 121.5 Ų | 121.5 | 76% | 0.758 | 67% | 0.667 | S | S | * | * | trans | -53.3 | 136.4 | 174.3 | -82.9 | -179.8 | 149.2 | -173.4 | -6.9 | 108.8 | A11 W15 | A11-R13 PolarHBondContact O-N 2.79Å; A11-R13 VanDerWaalsContact O-N 3.09Å; R13-W15 PolarHBondContact O-N 3.48Å | ||
| 14 | P | 86.9 | Confident | 75.1 | Confident | 59 Ų | 59 | 123.2 Ų | 123.2 | 38% | 0.383 | 65% | 0.654 | S | S | . | * | trans | -55 | 140.3 | 176.2 | -21.7 | 30.6 | 0 | 0 | 0 | 110.5 | Y16 S17 | P14-Y16 HydrophobicContact CB-CD1 3.68Å; P14-Y16 HydrophobicContact CB-CD2 4.38Å; P14-Y16 HydrophobicContact CB-CE1 3.21Å; P14-Y16 HydrophobicContact CB-CE2 3.97Å; P14-Y16 HydrophobicContact CB-CG 4.24Å; P14-Y16 HydrophobicContact CG-CE1 4.11Å; P14-Y16 HydrophobicContact CG-CE2 4.44Å; P14-Y16 PolarHBondContact O-N 2.89Å; P14-S17 WeakPolarHBondContact O-CB 3.44Å; P14-S17 PolarHBondContact O-N 3.01Å | ||
| 15 | W | 86.1 | Confident | 77.3 | Confident | 186 Ų | 186 | 120.5 Ų | 120.5 | 71% | 0.705 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -53.5 | -33.9 | -175.1 | 65.6 | -95.1 | 0 | 0 | 0 | 112.7 | R13 S17 H18 Y21 | R13-W15 PolarHBondContact O-N 3.48Å; W15-S17 VanDerWaalsContact C-N 3.28Å; W15-S17 PolarHBondContact O-N 2.94Å; W15-H18 WeakPolarHBondContact O-CB 3.4Å; W15-H18 PolarHBondContact O-N 2.8Å; W15-Y21 HydrophobicContact CE3-CE2 4.13Å; W15-Y21 HydrophobicContact CZ3-CE2 4.36Å; W15-Y21 WeakPolarHBondContact O-CE2 3.43Å |
| 16 | Y | 85.6 | Confident | 79.6 | Confident | 113 Ų | 113 | 117.2 Ų | 117.2 | 44% | 0.443 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -74.9 | -14.7 | -178.7 | 60.2 | -101.2 | 0 | 0 | 0 | 114.1 | P14 H18 W25 | P14-Y16 HydrophobicContact CB-CD1 3.68Å; P14-Y16 HydrophobicContact CB-CD2 4.38Å; P14-Y16 HydrophobicContact CB-CE1 3.21Å; P14-Y16 HydrophobicContact CB-CE2 3.97Å; P14-Y16 HydrophobicContact CB-CG 4.24Å; P14-Y16 HydrophobicContact CG-CE1 4.11Å; P14-Y16 HydrophobicContact CG-CE2 4.44Å; P14-Y16 PolarHBondContact O-N 2.89Å; Y16-H18 PolarHBondContact O-N 3.36Å; Y16-W25 PolarHBondContact O-NE1 3.44Å |
| 17 | S | 87.8 | Confident | 81.9 | Confident | 57 Ų | 57 | 118 Ų | 118 | 40% | 0.399 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -86.4 | 9.1 | 176.8 | -57.5 | 0 | 0 | 0 | 0 | 112.5 | P14 W15 | P14-S17 WeakPolarHBondContact O-CB 3.44Å; P14-S17 PolarHBondContact O-N 3.01Å; W15-S17 VanDerWaalsContact C-N 3.28Å; W15-S17 PolarHBondContact O-N 2.94Å |
| 18 | H | 90.6 | Very high | 84.2 | Confident | 100 Ų | 100 | 117 Ų | 117 | 46% | 0.463 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -70.3 | 137.8 | 177.8 | -165.2 | -91.4 | 0 | 0 | 0 | 110.7 | W15 Y16 V20 Y21 | W15-H18 WeakPolarHBondContact O-CB 3.4Å; W15-H18 PolarHBondContact O-N 2.8Å; Y16-H18 PolarHBondContact O-N 3.36Å; H18-V20 VanDerWaalsContact CE1-CG2 3.42Å; H18-V20 WeakPolarHBondContact CE1-CG2 3.46Å; H18-V20 WeakPolarHBondContact ND1-CB 3.45Å; H18-V20 VanDerWaalsContact ND1-CG2 3.26Å; H18-V20 WeakPolarHBondContact ND1-CG2 3.38Å; H18-V20 PolarHBondContact ND1-N 3.34Å; H18-V20 PolarHBondContact O-N 2.94Å; H18-Y21 HydrophobicContact CB-CD2 3.87Å; H18-Y21 HydrophobicContact CB-CE2 4.06Å; H18-Y21 PolarHBondContact O-N 3.19Å |
| 19 | P | 91.8 | Very high | 86.3 | Confident | 95 Ų | 95 | 116.3 Ų | 116.3 | 62% | 0.617 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -59.1 | -23.1 | -175.8 | 22 | -34.8 | 0 | 0 | 0 | 114.3 | Y21 A22 | P19-Y21 PolarHBondContact O-N 3.23Å; P19-A22 WeakPolarHBondContact O-CB 3.37Å; P19-A22 PolarHBondContact O-N 3.47Å |
| 20 | V | 91.2 | Very high | 88.3 | Confident | 109 Ų | 109 | 117.4 Ų | 117.4 | 66% | 0.661 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -57.5 | -31.6 | 173.6 | 172.2 | 0 | 0 | 0 | 0 | 111.9 | H18 | H18-V20 VanDerWaalsContact CE1-CG2 3.42Å; H18-V20 WeakPolarHBondContact CE1-CG2 3.46Å; H18-V20 WeakPolarHBondContact ND1-CB 3.45Å; H18-V20 VanDerWaalsContact ND1-CG2 3.26Å; H18-V20 WeakPolarHBondContact ND1-CG2 3.38Å; H18-V20 PolarHBondContact ND1-N 3.34Å; H18-V20 PolarHBondContact O-N 2.94Å |
| 21 | Y | 93.6 | Very high | 90.1 | Very high | 94 Ų | 94 | 110.9 Ų | 110.9 | 37% | 0.369 | 55% | 0.545 | S | S | . | . | G | 310 helix | trans | -89.2 | 3.8 | 179.2 | -56.3 | -66.6 | 0 | 0 | 0 | 113.8 | W15 H18 P19 R23 Y24 W25 | W15-Y21 HydrophobicContact CE3-CE2 4.13Å; W15-Y21 HydrophobicContact CZ3-CE2 4.36Å; W15-Y21 WeakPolarHBondContact O-CE2 3.43Å; H18-Y21 HydrophobicContact CB-CD2 3.87Å; H18-Y21 HydrophobicContact CB-CE2 4.06Å; H18-Y21 PolarHBondContact O-N 3.19Å; P19-Y21 PolarHBondContact O-N 3.23Å; Y21-R23 VanDerWaalsContact C-N 3.3Å; Y21-R23 PolarHBondContact O-N 3.09Å; Y21-Y24 WeakPolarHBondContact O-CB 3.16Å; Y21-Y24 PolarHBondContact O-N 3.11Å; Y21-Y24 VanDerWaalsContact O-N 3.14Å; Y21-W25 PolarHBondContact O-N 3.34Å |
| 22 | A | 91.9 | Very high | 91.8 | Very high | 50 Ų | 50 | 108.8 Ų | 108.8 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.5 | -43.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P19 W25 Q26 | P19-A22 WeakPolarHBondContact O-CB 3.37Å; P19-A22 PolarHBondContact O-N 3.47Å; A22-W25 PolarHBondContact O-N 3.45Å; A22-Q26 WeakPolarHBondContact O-CG 3.44Å; A22-Q26 PolarHBondContact O-N 3.23Å |
| 23 | R | 94.4 | Very high | 92.7 | Very high | 180 Ų | 180 | 105 Ų | 105 | 68% | 0.679 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.9 | -43.2 | 176.6 | -69.8 | -179.4 | 64.5 | -169.4 | -0.5 | 112.2 | Y21 W25 Q26 H27 | Y21-R23 VanDerWaalsContact C-N 3.3Å; Y21-R23 PolarHBondContact O-N 3.09Å; R23-W25 VanDerWaalsContact C-N 3.35Å; R23-W25 PolarHBondContact O-N 3.2Å; R23-Q26 PolarHBondContact O-N 3.39Å; R23-H27 PolarHBondContact O-CD2 3.4Å; R23-H27 PolarHBondContact O-N 2.65Å; R23-H27 VanDerWaalsContact O-N 3.09Å |
| 24 | Y | 95.8 | Very high | 93.5 | Very high | 133 Ų | 133 | 103.8 Ų | 103.8 | 52% | 0.522 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.6 | -49.1 | 176.5 | 168.8 | -94.5 | 0 | 0 | 0 | 111.1 | Y21 Q26 H27 Y28 | Y21-Y24 WeakPolarHBondContact O-CB 3.16Å; Y21-Y24 PolarHBondContact O-N 3.11Å; Y21-Y24 VanDerWaalsContact O-N 3.14Å; Y24-Q26 VanDerWaalsContact C-N 3.35Å; Y24-Q26 PolarHBondContact O-N 2.99Å; Y24-H27 PolarHBondContact O-N 3.13Å; Y24-Y28 WeakPolarHBondContact O-CB 3.27Å; Y24-Y28 PolarHBondContact O-N 3.02Å |
| 25 | W | 96.2 | Very high | 94 | Very high | 80 Ų | 80 | 104.3 Ų | 104.3 | 30% | 0.303 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.5 | -35 | -179.9 | -70.4 | 122.7 | 0 | 0 | 0 | 113 | Y16 Y21 A22 R23 Y28 H29 | Y16-W25 PolarHBondContact O-NE1 3.44Å; Y21-W25 PolarHBondContact O-N 3.34Å; A22-W25 PolarHBondContact O-N 3.45Å; R23-W25 VanDerWaalsContact C-N 3.35Å; R23-W25 PolarHBondContact O-N 3.2Å; W25-Y28 AromaticContact CE3-CD1 3.8Å; W25-Y28 HydrophobicContact CE3-CD1 3.8Å; W25-Y28 HydrophobicContact CE3-CG 4.06Å; W25-Y28 AromaticContact CZ3-CD1 3.86Å; W25-Y28 HydrophobicContact CZ3-CD1 3.86Å; W25-Y28 HydrophobicContact CZ3-CE1 4.19Å; W25-Y28 HydrophobicContact CZ3-CG 4.1Å; W25-Y28 PolarHBondContact O-N 3.35Å; W25-H29 VanDerWaalsContact O-CG 3.22Å; W25-H29 PolarHBondContact O-N 3.26Å; W25-H29 PolarHBondContact O-ND1 3.49Å |
| 26 | Q | 96.1 | Very high | 94.5 | Very high | 129 Ų | 129 | 101.4 Ų | 101.4 | 60% | 0.603 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.8 | -49.2 | 172.2 | -76.5 | 174.3 | -26 | 0 | 0 | 111.6 | A22 R23 Y24 H29 Q30 | A22-Q26 WeakPolarHBondContact O-CG 3.44Å; A22-Q26 PolarHBondContact O-N 3.23Å; R23-Q26 PolarHBondContact O-N 3.39Å; Y24-Q26 VanDerWaalsContact C-N 3.35Å; Y24-Q26 PolarHBondContact O-N 2.99Å; Q26-H29 PolarHBondContact O-N 3.43Å; Q26-Q30 PolarHBondContact O-N 2.93Å |
| 27 | H | 96.7 | Very high | 95 | Very high | 105 Ų | 105 | 99.7 Ų | 99.7 | 49% | 0.486 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 177.9 | -66.7 | -56.2 | 0 | 0 | 0 | 112.3 | R23 Y24 H29 Q30 A31 | R23-H27 PolarHBondContact O-CD2 3.4Å; R23-H27 PolarHBondContact O-N 2.65Å; R23-H27 VanDerWaalsContact O-N 3.09Å; Y24-H27 PolarHBondContact O-N 3.13Å; H27-H29 PolarHBondContact O-N 3.15Å; H27-Q30 PolarHBondContact O-N 3.31Å; H27-A31 WeakPolarHBondContact O-CB 3.26Å; H27-A31 PolarHBondContact O-N 3.02Å |
| 28 | Y | 96.3 | Very high | 95.4 | Very high | 101 Ų | 101 | 101.7 Ų | 101.7 | 40% | 0.396 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.2 | -49.4 | 174.9 | 175 | -98.2 | 0 | 0 | 0 | 111.4 | Y24 W25 Q30 A31 M32 | Y24-Y28 WeakPolarHBondContact O-CB 3.27Å; Y24-Y28 PolarHBondContact O-N 3.02Å; W25-Y28 AromaticContact CE3-CD1 3.8Å; W25-Y28 HydrophobicContact CE3-CD1 3.8Å; W25-Y28 HydrophobicContact CE3-CG 4.06Å; W25-Y28 AromaticContact CZ3-CD1 3.86Å; W25-Y28 HydrophobicContact CZ3-CD1 3.86Å; W25-Y28 HydrophobicContact CZ3-CE1 4.19Å; W25-Y28 HydrophobicContact CZ3-CG 4.1Å; W25-Y28 PolarHBondContact O-N 3.35Å; Y28-Q30 VanDerWaalsContact C-N 3.31Å; Y28-Q30 PolarHBondContact O-N 3.34Å; Y28-A31 PolarHBondContact O-N 3.1Å; Y28-M32 HydrophobicContact CD1-CG 4.19Å; Y28-M32 HydrophobicContact CD2-CG 4.32Å; Y28-M32 HydrophobicContact CE1-CG 3.79Å; Y28-M32 HydrophobicContact CE2-CG 3.92Å; Y28-M32 HydrophobicContact CE2-SD 4.17Å; Y28-M32 HydrophobicContact CG-CG 4.45Å; Y28-M32 WeakPolarHBondContact O-CB 3.14Å; Y28-M32 VanDerWaalsContact O-CG 3.25Å; Y28-M32 WeakPolarHBondContact O-CG 3.13Å; Y28-M32 PolarHBondContact O-N 3.38Å |
| 29 | H | 96.6 | Very high | 95.6 | Very high | 117 Ų | 117 | 101.8 Ų | 101.8 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 178.3 | -65.2 | 136.4 | 0 | 0 | 0 | 112.4 | W25 Q26 H27 M32 A33 | W25-H29 VanDerWaalsContact O-CG 3.22Å; W25-H29 PolarHBondContact O-N 3.26Å; W25-H29 PolarHBondContact O-ND1 3.49Å; Q26-H29 PolarHBondContact O-N 3.43Å; H27-H29 PolarHBondContact O-N 3.15Å; H29-M32 PolarHBondContact O-N 2.75Å; H29-A33 WeakPolarHBondContact O-CB 3.32Å; H29-A33 PolarHBondContact O-N 3.45Å |
| 30 | Q | 96.9 | Very high | 95.8 | Very high | 136 Ų | 136 | 100.8 Ų | 100.8 | 64% | 0.636 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.8 | -44.9 | 176 | -169.9 | 174.3 | 18.1 | 0 | 0 | 111.9 | Q26 H27 Y28 M32 A33 W34 | Q26-Q30 PolarHBondContact O-N 2.93Å; H27-Q30 PolarHBondContact O-N 3.31Å; Y28-Q30 VanDerWaalsContact C-N 3.31Å; Y28-Q30 PolarHBondContact O-N 3.34Å; Q30-M32 VanDerWaalsContact C-N 3.35Å; Q30-A33 PolarHBondContact O-N 3.27Å; Q30-W34 PolarHBondContact O-N 3.35Å |
| 31 | A | 96.8 | Very high | 96 | Very high | 55 Ų | 55 | 98.3 Ų | 98.3 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | H27 Y28 W34 M35 | H27-A31 WeakPolarHBondContact O-CB 3.26Å; H27-A31 PolarHBondContact O-N 3.02Å; Y28-A31 PolarHBondContact O-N 3.1Å; A31-W34 PolarHBondContact O-N 3.4Å; A31-M35 WeakPolarHBondContact O-CB 3.37Å; A31-M35 PolarHBondContact O-N 2.99Å |
| 32 | M | 97.4 | Very high | 96 | Very high | 54 Ų | 54 | 101.1 Ų | 101.1 | 27% | 0.266 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 177 | -70.3 | -59.2 | -68 | 0 | 0 | 112.2 | Y28 H29 Q30 M35 Q36 | Y28-M32 HydrophobicContact CD1-CG 4.19Å; Y28-M32 HydrophobicContact CD2-CG 4.32Å; Y28-M32 HydrophobicContact CE1-CG 3.79Å; Y28-M32 HydrophobicContact CE2-CG 3.92Å; Y28-M32 HydrophobicContact CE2-SD 4.17Å; Y28-M32 HydrophobicContact CG-CG 4.45Å; Y28-M32 WeakPolarHBondContact O-CB 3.14Å; Y28-M32 VanDerWaalsContact O-CG 3.25Å; Y28-M32 WeakPolarHBondContact O-CG 3.13Å; Y28-M32 PolarHBondContact O-N 3.38Å; H29-M32 PolarHBondContact O-N 2.75Å; Q30-M32 VanDerWaalsContact C-N 3.35Å; M32-M35 HydrophobicContact CE-CE 3.47Å; M32-M35 VanDerWaalsContact CE-CE 3.47Å; M32-M35 PolarHBondContact O-N 3.18Å; M32-M35 HydrophobicContact SD-CE 3.73Å; M32-Q36 WeakPolarHBondContact O-CB 3.36Å; M32-Q36 VanDerWaalsContact O-CG 3.25Å; M32-Q36 WeakPolarHBondContact O-CG 3.32Å; M32-Q36 PolarHBondContact O-N 3.38Å |
| 33 | A | 97.4 | Very high | 96.1 | Very high | 51 Ų | 51 | 105.8 Ų | 105.8 | 42% | 0.421 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H29 Q30 S37 | H29-A33 WeakPolarHBondContact O-CB 3.32Å; H29-A33 PolarHBondContact O-N 3.45Å; Q30-A33 PolarHBondContact O-N 3.27Å; A33-S37 WeakPolarHBondContact O-CB 3.35Å; A33-S37 PolarHBondContact O-N 2.99Å; A33-S37 PolarHBondContact O-OG 3.48Å |
| 34 | W | 97.3 | Very high | 96.1 | Very high | 176 Ų | 176 | 103.4 Ų | 103.4 | 67% | 0.667 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.7 | -48.6 | 173.7 | 177 | 86.4 | 0 | 0 | 0 | 111.5 | Q30 A31 Q36 S37 H38 | Q30-W34 PolarHBondContact O-N 3.35Å; A31-W34 PolarHBondContact O-N 3.4Å; W34-Q36 VanDerWaalsContact C-N 3.33Å; W34-Q36 PolarHBondContact O-N 3.43Å; W34-S37 PolarHBondContact O-N 3.35Å; W34-H38 WeakPolarHBondContact O-CB 3.32Å; W34-H38 PolarHBondContact O-N 3.43Å |
| 35 | M | 97 | Very high | 95.8 | Very high | 70 Ų | 70 | 99.4 Ų | 99.4 | 35% | 0.345 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 179.8 | -176.4 | -172.2 | 73.4 | 0 | 0 | 111.6 | A31 M32 H38 H39 | A31-M35 WeakPolarHBondContact O-CB 3.37Å; A31-M35 PolarHBondContact O-N 2.99Å; M32-M35 HydrophobicContact CE-CE 3.47Å; M32-M35 VanDerWaalsContact CE-CE 3.47Å; M32-M35 PolarHBondContact O-N 3.18Å; M32-M35 HydrophobicContact SD-CE 3.73Å; M35-H38 PolarHBondContact O-N 3.25Å; M35-H39 VanDerWaalsContact CG-CE1 3.41Å; M35-H39 WeakPolarHBondContact CG-CE1 3.33Å; M35-H39 PolarHBondContact O-N 3.37Å; M35-H39 PolarHBondContact O-ND1 3.17Å |
| 36 | Q | 97 | Very high | 95.4 | Very high | 124 Ų | 124 | 97.9 Ų | 97.9 | 58% | 0.579 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.4 | -44 | 176.4 | -73.2 | 173.1 | 11.1 | 0 | 0 | 112 | M32 W34 H38 H39 N40 | M32-Q36 WeakPolarHBondContact O-CB 3.36Å; M32-Q36 VanDerWaalsContact O-CG 3.25Å; M32-Q36 WeakPolarHBondContact O-CG 3.32Å; M32-Q36 PolarHBondContact O-N 3.38Å; W34-Q36 VanDerWaalsContact C-N 3.33Å; W34-Q36 PolarHBondContact O-N 3.43Å; Q36-H38 VanDerWaalsContact C-N 3.32Å; Q36-H38 PolarHBondContact O-N 3.25Å; Q36-H39 PolarHBondContact O-N 3.48Å; Q36-N40 WeakPolarHBondContact O-CB 3.39Å; Q36-N40 PolarHBondContact O-N 3.24Å |
| 37 | S | 95.9 | Very high | 95 | Very high | 78 Ų | 78 | 96.9 Ų | 96.9 | 55% | 0.545 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 177.2 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | A33 W34 N40 A41 | A33-S37 WeakPolarHBondContact O-CB 3.35Å; A33-S37 PolarHBondContact O-N 2.99Å; A33-S37 PolarHBondContact O-OG 3.48Å; W34-S37 PolarHBondContact O-N 3.35Å; S37-N40 PolarHBondContact O-N 3.48Å; S37-A41 WeakPolarHBondContact O-CB 3.41Å; S37-A41 PolarHBondContact O-N 2.92Å |
| 38 | H | 96.3 | Very high | 94.2 | Very high | 98 Ų | 98 | 94.7 Ų | 94.7 | 45% | 0.454 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.1 | -48.2 | 176.6 | -177.3 | 73.9 | 0 | 0 | 0 | 112 | W34 M35 Q36 N40 A41 Y42 | W34-H38 WeakPolarHBondContact O-CB 3.32Å; W34-H38 PolarHBondContact O-N 3.43Å; M35-H38 PolarHBondContact O-N 3.25Å; Q36-H38 VanDerWaalsContact C-N 3.32Å; Q36-H38 PolarHBondContact O-N 3.25Å; H38-N40 VanDerWaalsContact C-N 3.28Å; H38-N40 PolarHBondContact O-N 3.47Å; H38-A41 PolarHBondContact O-N 3.45Å; H38-Y42 WeakPolarHBondContact O-CB 3.45Å; H38-Y42 PolarHBondContact O-N 2.97Å |
| 39 | H | 96.3 | Very high | 93.1 | Very high | 103 Ų | 103 | 94 Ų | 94 | 48% | 0.477 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.6 | -38.6 | 175.7 | -75.5 | 117.1 | 0 | 0 | 0 | 112.6 | M35 Q36 R43 | M35-H39 VanDerWaalsContact CG-CE1 3.41Å; M35-H39 WeakPolarHBondContact CG-CE1 3.33Å; M35-H39 PolarHBondContact O-N 3.37Å; M35-H39 PolarHBondContact O-ND1 3.17Å; Q36-H39 PolarHBondContact O-N 3.48Å; H39-R43 WeakPolarHBondContact O-CB 3.38Å; H39-R43 PolarHBondContact O-N 2.86Å |
| 40 | N | 95.5 | Very high | 91.7 | Very high | 73 Ų | 73 | 96.7 Ų | 96.7 | 39% | 0.39 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.8 | -46.2 | 176.3 | -169.6 | -8.6 | 0 | 0 | 0 | 111.3 | Q36 S37 H38 Y42 R43 K44 | Q36-N40 WeakPolarHBondContact O-CB 3.39Å; Q36-N40 PolarHBondContact O-N 3.24Å; S37-N40 PolarHBondContact O-N 3.48Å; H38-N40 VanDerWaalsContact C-N 3.28Å; H38-N40 PolarHBondContact O-N 3.47Å; N40-Y42 PolarHBondContact O-N 2.77Å; N40-R43 PolarHBondContact O-N 3.21Å; N40-K44 WeakPolarHBondContact O-CG 3.43Å; N40-K44 PolarHBondContact O-N 3.32Å; N40-K44 VanDerWaalsContact OD1-CE 3.28Å; N40-K44 WeakPolarHBondContact OD1-CE 3.42Å |
| 41 | A | 94.5 | Very high | 90.2 | Very high | 57 Ų | 57 | 94.5 Ų | 94.5 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | S37 H38 K44 A45 | S37-A41 WeakPolarHBondContact O-CB 3.41Å; S37-A41 PolarHBondContact O-N 2.92Å; H38-A41 PolarHBondContact O-N 3.45Å; A41-K44 PolarHBondContact O-N 3.45Å; A41-A45 WeakPolarHBondContact O-CB 3.49Å; A41-A45 PolarHBondContact O-N 2.68Å |
| 42 | Y | 94.6 | Very high | 88.1 | Confident | 154 Ų | 154 | 97.4 Ų | 97.4 | 60% | 0.604 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61 | -47.7 | 175.8 | -179.5 | -98.8 | 0 | 0 | 0 | 111.6 | H38 N40 K44 A45 V46 | H38-Y42 WeakPolarHBondContact O-CB 3.45Å; H38-Y42 PolarHBondContact O-N 2.97Å; N40-Y42 PolarHBondContact O-N 2.77Å; Y42-K44 VanDerWaalsContact C-N 3.35Å; Y42-K44 PolarHBondContact O-N 3.43Å; Y42-A45 PolarHBondContact O-N 3.19Å; Y42-V46 HydrophobicContact CD1-CG2 4.13Å; Y42-V46 HydrophobicContact CE1-CG2 3.71Å; Y42-V46 HydrophobicContact CE2-CG2 4.16Å; Y42-V46 WeakPolarHBondContact O-CG2 3.24Å; Y42-V46 PolarHBondContact O-N 3.05Å |
| 43 | R | 94 | Very high | 86.1 | Confident | 148 Ų | 148 | 99.8 Ų | 99.8 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.5 | -47.6 | 176.5 | -170.9 | -166.9 | -50.8 | 168.7 | 4.2 | 111.6 | H39 N40 A45 V46 E47 | H39-R43 WeakPolarHBondContact O-CB 3.38Å; H39-R43 PolarHBondContact O-N 2.86Å; N40-R43 PolarHBondContact O-N 3.21Å; R43-A45 VanDerWaalsContact C-N 3.33Å; R43-A45 PolarHBondContact O-N 2.84Å; R43-V46 PolarHBondContact O-N 3.43Å; R43-E47 WeakPolarHBondContact CD-OE1 3.39Å; R43-E47 HydrophobicContact CG-CG 4.49Å; R43-E47 WeakPolarHBondContact CG-OE1 3.34Å; R43-E47 WeakPolarHBondContact O-CB 3.43Å; R43-E47 WeakPolarHBondContact O-CG 3.36Å; R43-E47 PolarHBondContact O-N 2.96Å |
| 44 | K | 92.9 | Very high | 84 | Confident | 130 Ų | 130 | 101.6 Ų | 101.6 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.9 | -39.3 | 177 | -74.1 | -179.9 | 175.3 | -176.4 | 0 | 112.7 | N40 A41 Y42 S48 | N40-K44 WeakPolarHBondContact O-CG 3.43Å; N40-K44 PolarHBondContact O-N 3.32Å; N40-K44 VanDerWaalsContact OD1-CE 3.28Å; N40-K44 WeakPolarHBondContact OD1-CE 3.42Å; A41-K44 PolarHBondContact O-N 3.45Å; Y42-K44 VanDerWaalsContact C-N 3.35Å; Y42-K44 PolarHBondContact O-N 3.43Å; K44-S48 WeakPolarHBondContact O-CB 3.49Å; K44-S48 PolarHBondContact O-N 2.9Å; K44-S48 PolarHBondContact O-OG 2.91Å |
| 45 | A | 90.9 | Very high | 81.7 | Confident | 48 Ų | 48 | 103.9 Ų | 103.9 | 40% | 0.397 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A41 Y42 R43 S48 C49 | A41-A45 WeakPolarHBondContact O-CB 3.49Å; A41-A45 PolarHBondContact O-N 2.68Å; Y42-A45 PolarHBondContact O-N 3.19Å; R43-A45 VanDerWaalsContact C-N 3.33Å; R43-A45 PolarHBondContact O-N 2.84Å; A45-S48 PolarHBondContact O-N 3.29Å; A45-S48 PolarHBondContact O-OG 2.9Å; A45-C49 PolarHBondContact O-N 3.45Å; A45-C49 PolarHBondContact O-SG 3.03Å |
| 46 | V | 88.1 | Confident | 79.5 | Confident | 49 Ų | 49 | 109.1 Ų | 109.1 | 30% | 0.297 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.3 | -51.5 | 175.2 | 170 | 0 | 0 | 0 | 0 | 110.7 | Y42 R43 S48 C49 F50 | Y42-V46 HydrophobicContact CD1-CG2 4.13Å; Y42-V46 HydrophobicContact CE1-CG2 3.71Å; Y42-V46 HydrophobicContact CE2-CG2 4.16Å; Y42-V46 WeakPolarHBondContact O-CG2 3.24Å; Y42-V46 PolarHBondContact O-N 3.05Å; R43-V46 PolarHBondContact O-N 3.43Å; V46-S48 VanDerWaalsContact C-N 3.27Å; V46-S48 PolarHBondContact O-N 3.29Å; V46-C49 PolarHBondContact O-N 3.48Å; V46-C49 VanDerWaalsContact O-N 3.15Å; V46-F50 HydrophobicContact CG1-CD2 3.75Å; V46-F50 HydrophobicContact CG1-CE2 3.74Å; V46-F50 WeakPolarHBondContact O-CD2 3.4Å; V46-F50 PolarHBondContact O-N 3.02Å; V46-F50 VanDerWaalsContact O-N 3.1Å |
| 47 | E | 87.4 | Confident | 76.9 | Confident | 108 Ų | 108 | 108.4 Ų | 108.4 | 51% | 0.505 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -55.2 | -43.2 | 175.4 | -74.3 | 169.8 | -173.3 | 0 | 0 | 111.1 | R43 C49 F50 S51 | R43-E47 WeakPolarHBondContact CD-OE1 3.39Å; R43-E47 HydrophobicContact CG-CG 4.49Å; R43-E47 WeakPolarHBondContact CG-OE1 3.34Å; R43-E47 WeakPolarHBondContact O-CB 3.43Å; R43-E47 WeakPolarHBondContact O-CG 3.36Å; R43-E47 PolarHBondContact O-N 2.96Å; E47-C49 PolarHBondContact O-N 3.47Å; E47-F50 CarbonylContact O-C 3.56Å; E47-F50 PolarHBondContact O-N 3.11Å; E47-S51 WeakPolarHBondContact O-CB 3.23Å; E47-S51 PolarHBondContact O-N 2.9Å; E47-S51 PolarHBondContact O-OG 2.88Å |
| 48 | S | 79.4 | Confident | 74.7 | Confident | 58 Ų | 58 | 110.9 Ų | 110.9 | 41% | 0.406 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.2 | -39.7 | 177.6 | 76.4 | 0 | 0 | 0 | 0 | 113.5 | K44 A45 V46 F50 S51 L52 | K44-S48 WeakPolarHBondContact O-CB 3.49Å; K44-S48 PolarHBondContact O-N 2.9Å; K44-S48 PolarHBondContact O-OG 2.91Å; A45-S48 PolarHBondContact O-N 3.29Å; A45-S48 PolarHBondContact O-OG 2.9Å; V46-S48 VanDerWaalsContact C-N 3.27Å; V46-S48 PolarHBondContact O-N 3.29Å; S48-F50 VanDerWaalsContact C-N 3.29Å; S48-F50 PolarHBondContact O-N 3.5Å; S48-S51 WeakPolarHBondContact CA-OG 3.42Å; S48-S51 PolarHBondContact O-N 3.37Å; S48-S51 PolarHBondContact O-OG 3.06Å; S48-L52 WeakPolarHBondContact O-CG 3.08Å; S48-L52 PolarHBondContact O-N 2.74Å |
| 49 | C | 73 | Confident | 72.2 | Confident | 86 Ų | 86 | 110.8 Ų | 110.8 | 58% | 0.581 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.5 | -36.6 | 176 | -74.3 | 0 | 0 | 0 | 0 | 111.8 | A45 V46 E47 | A45-C49 PolarHBondContact O-N 3.45Å; A45-C49 PolarHBondContact O-SG 3.03Å; V46-C49 PolarHBondContact O-N 3.48Å; V46-C49 VanDerWaalsContact O-N 3.15Å; E47-C49 PolarHBondContact O-N 3.47Å |
| 50 | F | 68 | Low | 69.7 | Low | 175 Ų | 175 | 113 Ų | 113 | 77% | 0.768 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -88.6 | -18.2 | 179 | -69.1 | -67.5 | 0 | 0 | 0 | 113.8 | V46 E47 S48 | V46-F50 HydrophobicContact CG1-CD2 3.75Å; V46-F50 HydrophobicContact CG1-CE2 3.74Å; V46-F50 WeakPolarHBondContact O-CD2 3.4Å; V46-F50 PolarHBondContact O-N 3.02Å; V46-F50 VanDerWaalsContact O-N 3.1Å; E47-F50 CarbonylContact O-C 3.56Å; E47-F50 PolarHBondContact O-N 3.11Å; S48-F50 VanDerWaalsContact C-N 3.29Å; S48-F50 PolarHBondContact O-N 3.5Å |
| 51 | S | 64 | Low | 67.2 | Low | 89 Ų | 89 | 116.7 Ų | 116.7 | 62% | 0.622 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -94.6 | -8.4 | 177.2 | 72.7 | 0 | 0 | 0 | 0 | 113.6 | E47 S48 P53 | E47-S51 WeakPolarHBondContact O-CB 3.23Å; E47-S51 PolarHBondContact O-N 2.9Å; E47-S51 PolarHBondContact O-OG 2.88Å; S48-S51 WeakPolarHBondContact CA-OG 3.42Å; S48-S51 PolarHBondContact O-N 3.37Å; S48-S51 PolarHBondContact O-OG 3.06Å; S51-P53 VanDerWaalsContact O-CD 3.26Å; S51-P53 WeakPolarHBondContact O-CD 3.44Å |
| 52 | L | 53.4 | Low | 64.9 | Low | 117 Ų | 117 | 119.7 Ų | 119.7 | 61% | 0.613 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -59.9 | 119.8 | 164.1 | -79.8 | 164.7 | 0 | 0 | 0 | 107.2 | S48 S54 | S48-L52 WeakPolarHBondContact O-CG 3.08Å; S48-L52 PolarHBondContact O-N 2.74Å; L52-S54 VanDerWaalsContact C-N 3.28Å; L52-S54 PolarHBondContact O-N 2.79Å |
| 53 | P | 54.4 | Low | 62.4 | Low | 104 Ų | 104 | 120.9 Ų | 120.9 | 68% | 0.675 | 66% | 0.657 | S | S | * | * | trans | -60.5 | 101.6 | 167.9 | -15.3 | 29.4 | 0 | 0 | 0 | 105.5 | S51 Y55 | S51-P53 VanDerWaalsContact O-CD 3.26Å; S51-P53 WeakPolarHBondContact O-CD 3.44Å; P53-Y55 VanDerWaalsContact C-N 3.33Å; P53-Y55 WeakPolarHBondContact O-CD2 3.37Å; P53-Y55 PolarHBondContact O-N 3.08Å | ||
| 54 | S | 54.8 | Low | 59.4 | Low | 88 Ų | 88 | 119.5 Ų | 119.5 | 62% | 0.615 | 67% | 0.67 | S | S | * | * | trans | -57.2 | 108 | 170.4 | -71.1 | 0 | 0 | 0 | 0 | 105.4 | L52 F56 | L52-S54 VanDerWaalsContact C-N 3.28Å; L52-S54 PolarHBondContact O-N 2.79Å; S54-F56 WeakPolarHBondContact O-CD2 3.3Å; S54-F56 PolarHBondContact O-N 2.72Å | ||
| 55 | Y | 47.7 | Very low | 57.3 | Low | 224 Ų | 224 | 117.4 Ų | 117.4 | 88% | 0.878 | 67% | 0.672 | S | S | * | * | trans | -61.1 | 86.2 | 169.7 | -78.2 | -93.2 | 0 | 0 | 0 | 107 | P53 P57 | P53-Y55 VanDerWaalsContact C-N 3.33Å; P53-Y55 WeakPolarHBondContact O-CD2 3.37Å; P53-Y55 PolarHBondContact O-N 3.08Å; Y55-P57 WeakPolarHBondContact O-CD 3.45Å | ||
| 56 | F | 51.7 | Low | 54.7 | Low | 180 Ų | 180 | 126 Ų | 126 | 79% | 0.789 | 70% | 0.696 | S | S | * | * | trans | -73.1 | 117.4 | 156.9 | -70.5 | -77.7 | 0 | 0 | 0 | 106.1 | S54 | S54-F56 WeakPolarHBondContact O-CD2 3.3Å; S54-F56 PolarHBondContact O-N 2.72Å | ||
| 57 | P | 42.1 | Very low | 52.4 | Low | 110 Ų | 110 | 130.4 Ų | 130.4 | 71% | 0.714 | 72% | 0.718 | S | S | * | * | trans | -67.5 | 133 | 170.6 | 27.3 | -28.9 | 0 | 0 | 0 | 108 | Y55 A59 | Y55-P57 WeakPolarHBondContact O-CD 3.45Å; P57-A59 VanDerWaalsContact C-N 3.33Å; P57-A59 PolarHBondContact O-N 3.29Å | ||
| 58 | P | 49.1 | Very low | 50.2 | Low | 129 Ų | 129 | 132 Ų | 132 | 84% | 0.838 | 73% | 0.73 | S | S | * | * | trans | -75.7 | 89.7 | 172.8 | 29.2 | -29.1 | 0 | 0 | 0 | 108.4 | ||||
| 59 | A | 43.6 | Very low | 48.3 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | trans | -86.1 | 109.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | P57 L61 | P57-A59 VanDerWaalsContact C-N 3.33Å; P57-A59 PolarHBondContact O-N 3.29Å; A59-L61 PolarHBondContact O-N 3.37Å | ||
| 60 | L | 43.5 | Very low | 46.7 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | -67.1 | 119 | 176.7 | -73 | 155.7 | 0 | 0 | 0 | 112.1 | ||||
| 61 | L | 44.7 | Very low | 45.2 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 68 | 161.1 | 133.6 | -61.7 | 173.8 | 0 | 0 | 0 | 119.3 | A59 | A59-L61 PolarHBondContact O-N 3.37Š| ||
| 62 | P | 46.1 | Very low | 44 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | cis | -138.3 | 176.2 | 18.9 | 39.7 | -18.2 | 0 | 0 | 0 | 118.1 | ||||
| 63 | Q | 40.9 | Very low | 43.6 | Very low | 180 Ų | 180 | 143 Ų | 143 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | trans | -28.7 | 136.7 | 176.7 | -63.5 | 178.2 | -63.1 | 0 | 0 | 118.3 | ||||
| 64 | S | 32.3 | Very low | 42.9 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -132.6 | 104.2 | 137.5 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 65 | S | 47.3 | Very low | 42 | Very low | 86 Ų | 86 | 148 Ų | 148 | 60% | 0.601 | 80% | 0.801 | S | S | * | * | trans | -73.2 | 121.7 | 168 | 52.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 66 | Y | 36.2 | Very low | 41.8 | Very low | 227 Ų | 227 | 146 Ų | 146 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -156.8 | 123.9 | 132.6 | -85.8 | -67.7 | 0 | 0 | 0 | 108.2 | ||||
| 67 | D | 39.8 | Very low | 41.1 | Very low | 142 Ų | 142 | 148.3 Ų | 148.3 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | -52.3 | 143.4 | 166.6 | -69.4 | -59.1 | 0 | 0 | 0 | 111.1 | ||||
| 68 | N | 43.1 | Very low | 40.8 | Very low | 142 Ų | 142 | 149 Ų | 149 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | 173.5 | 121.7 | 109.6 | -84.5 | -57.2 | 0 | 0 | 0 | 111.9 | |||||
| 69 | Q | 37.5 | Very low | 40.3 | Very low | 179 Ų | 179 | 151.8 Ų | 151.8 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | 62 | 103.7 | 145.6 | -70.4 | 172.8 | 2.2 | 0 | 0 | 120.3 | ||||
| 70 | A | 40.6 | Very low | 40.2 | Very low | 94 Ų | 94 | 155.4 Ų | 155.4 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | 9 | 116 | 138.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 71 | T | 35.9 | Very low | 40 | Very low | 136 Ų | 136 | 156 Ų | 156 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | -171.8 | 114.8 | 116.5 | -71.1 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 72 | Y | 39.7 | Very low | 39.5 | Very low | 226 Ų | 226 | 152.9 Ų | 152.9 | 89% | 0.886 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -56 | 133.3 | 177.7 | -97.6 | -99.8 | 0 | 0 | 0 | 111.8 | ||
| 73 | P | 45.6 | Very low | 39.2 | Very low | 121 Ų | 121 | 159.1 Ų | 159.1 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 119.6 | 156 | -3.3 | 22 | 0 | 0 | 0 | 108.7 | S75 | P73-S75 PolarHBondContact O-N 2.93Š|
| 74 | Q | 39.6 | Very low | 38.9 | Very low | 184 Ų | 184 | 158 Ų | 158 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 122.2 | 178.4 | -158.3 | 168.5 | -6 | 0 | 0 | 110.8 | F76 | Q74-F76 PolarHBondContact O-N 3.42Š|
| 75 | S | 35.5 | Very low | 38.9 | Very low | 114 Ų | 114 | 159.7 Ų | 159.7 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 123.4 | 177.7 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | P73 | P73-S75 PolarHBondContact O-N 2.93Š|
| 76 | F | 42.8 | Very low | 38.4 | Very low | 182 Ų | 182 | 166.5 Ų | 166.5 | 80% | 0.798 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 132.1 | 163.8 | -78 | -101.2 | 0 | 0 | 0 | 110.2 | Q74 | Q74-F76 PolarHBondContact O-N 3.42Š|
| 77 | Y | 37.2 | Very low | 38.8 | Very low | 228 Ų | 228 | 160.9 Ų | 160.9 | 89% | 0.894 | 81% | 0.808 | S | S | * | * | trans | 147.4 | 75.2 | 148.2 | -78.4 | -63.3 | 0 | 0 | 0 | 108.9 | ||||
| 78 | D | 35 | Very low | 38.5 | Very low | 124 Ų | 124 | 160.4 Ų | 160.4 | 66% | 0.663 | 82% | 0.815 | S | S | * | * | trans | -129.2 | 88.9 | 161.9 | -163.7 | 6.4 | 0 | 0 | 0 | 108.3 | H80 | D78-H80 IonicContact OD1-CD2 3.8Å; D78-H80 PolarHBondContact OD1-CD2 2.95Å; D78-H80 VanDerWaalsContact OD1-CD2 3.23Å; D78-H80 IonicContact OD1-NE2 2.68Å | ||
| 79 | H | 39.7 | Very low | 38.1 | Very low | 187 Ų | 187 | 159 Ų | 159 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | -129.9 | 81.9 | 167.7 | -77.9 | -42 | 0 | 0 | 0 | 108.6 | L81 | H79-L81 PolarHBondContact O-N 3.31Š| ||
| 80 | H | 41.8 | Very low | 38.2 | Very low | 172 Ų | 172 | 154.8 Ų | 154.8 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | -52.7 | 121.4 | 156.2 | -84.5 | -84.4 | 0 | 0 | 0 | 110.3 | D78 A82 | D78-H80 IonicContact OD1-CD2 3.8Å; D78-H80 PolarHBondContact OD1-CD2 2.95Å; D78-H80 VanDerWaalsContact OD1-CD2 3.23Å; D78-H80 IonicContact OD1-NE2 2.68Å; H80-A82 PolarHBondContact O-N 3.34Å | ||
| 81 | L | 39.1 | Very low | 38 | Very low | 165 Ų | 165 | 154.9 Ų | 154.9 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -65.4 | 95.4 | 173.4 | -73.9 | 156.2 | 0 | 0 | 0 | 110.3 | H79 W83 | H79-L81 PolarHBondContact O-N 3.31Å; L81-W83 PolarHBondContact O-N 3.23Å | ||
| 82 | A | 34.2 | Very low | 37.9 | Very low | 83 Ų | 83 | 156.4 Ų | 156.4 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | trans | -85.7 | 95.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | H80 Q84 | H80-A82 PolarHBondContact O-N 3.34Å; A82-Q84 PolarHBondContact O-N 2.84Å | ||
| 83 | W | 39.1 | Very low | 37.7 | Very low | 251 Ų | 251 | 154.9 Ų | 154.9 | 95% | 0.951 | 80% | 0.797 | S | S | * | * | trans | -64.1 | 106.1 | 161 | -97.3 | 42.3 | 0 | 0 | 0 | 108.5 | L81 | L81-W83 PolarHBondContact O-N 3.23Š| ||
| 84 | Q | 34.8 | Very low | 37 | Very low | 155 Ų | 155 | 152.7 Ų | 152.7 | 72% | 0.724 | 80% | 0.796 | S | S | * | * | trans | -131.8 | 114.9 | 164.8 | -73.8 | -170.1 | 16.8 | 0 | 0 | 109.9 | A82 | A82-Q84 PolarHBondContact O-N 2.84Š| ||
| 85 | D | 33.4 | Very low | 36.8 | Very low | 156 Ų | 156 | 155.9 Ų | 155.9 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | 27.2 | 99.6 | 137.7 | -54.9 | -32.3 | 0 | 0 | 0 | 117.7 | ||||
| 86 | Y | 36.3 | Very low | 37 | Very low | 229 Ų | 229 | 156.3 Ų | 156.3 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | -98.3 | 115.6 | 162.4 | -100.4 | -94.5 | 0 | 0 | 0 | 110.4 | ||||
| 87 | P | 44 | Very low | 36.5 | Very low | 109 Ų | 109 | 150.7 Ų | 150.7 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | trans | -82 | 129.1 | 173 | 29.3 | -29 | 0 | 0 | 0 | 111.5 | S89 | P87-S89 PolarHBondContact O-N 3.46Š| ||
| 88 | C | 34.2 | Very low | 36.2 | Very low | 132 Ų | 132 | 149.3 Ų | 149.3 | 89% | 0.892 | 80% | 0.799 | S | S | * | * | trans | -61.9 | 114 | 173.1 | -172.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 89 | S | 34.5 | Very low | 36.2 | Very low | 113 Ų | 113 | 149.9 Ų | 149.9 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -92.9 | 106.4 | 170.6 | -72.1 | 0 | 0 | 0 | 0 | 110.3 | P87 S91 | P87-S89 PolarHBondContact O-N 3.46Å; S89-S91 PolarHBondContact O-N 2.9Å | ||
| 90 | S | 38.7 | Very low | 36 | Very low | 90 Ų | 90 | 146.7 Ų | 146.7 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | trans | -55.5 | 117.1 | 164.1 | 174.1 | 0 | 0 | 0 | 0 | 110.2 | H92 | S90-H92 PolarHBondContact OG-NE2 2.76Š| ||
| 91 | S | 36.7 | Very low | 35.7 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | trans | -107.5 | 112.8 | 163.4 | 68.4 | 0 | 0 | 0 | 0 | 109.4 | S89 F93 | S89-S91 PolarHBondContact O-N 2.9Å; S91-F93 PolarHBondContact O-N 2.94Å | ||
| 92 | H | 34.3 | Very low | 35.1 | Very low | 168 Ų | 168 | 149 Ų | 149 | 78% | 0.778 | 79% | 0.791 | S | S | * | * | trans | -72.6 | 118.4 | 171.7 | -64.4 | -78 | 0 | 0 | 0 | 109.3 | S90 | S90-H92 PolarHBondContact OG-NE2 2.76Š| ||
| 93 | F | 35.8 | Very low | 35.2 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -115.6 | 99.5 | 156.8 | -81.4 | -78.9 | 0 | 0 | 0 | 108.9 | S91 | S91-F93 PolarHBondContact O-N 2.94Š| ||
| 94 | G | 31.1 | Very low | 34.9 | Very low | 75 Ų | 75 | 142.9 Ų | 142.9 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -79.8 | 128.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 95 | R | 35.2 | Very low | 34.8 | Very low | 251 Ų | 251 | 145.8 Ų | 145.8 | 95% | 0.947 | 79% | 0.786 | S | S | * | * | trans | -147.1 | 121.8 | 144.7 | -144.6 | 171 | -175.1 | -118 | 2.7 | 111.1 | ||||
| 96 | S | 38.7 | Very low | 34.8 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -64.4 | 149.3 | 173.8 | -178.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 97 | G | 32 | Very low | 34.6 | Very low | 64 Ų | 64 | 143.4 Ų | 143.4 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | trans | 148.9 | 101 | 151.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 98 | Q | 32.7 | Very low | 33.9 | Very low | 200 Ų | 200 | 143 Ų | 143 | 94% | 0.935 | 79% | 0.788 | S | S | * | * | trans | 102.9 | 113.7 | 142.8 | -52.2 | -138.7 | -12 | 0 | 0 | 119 | ||||
| 99 | H | 33.4 | Very low | 33.7 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 63% | 0.625 | 78% | 0.784 | S | S | * | * | trans | -112.5 | 127.6 | 177.3 | 171.8 | -93.5 | 0 | 0 | 0 | 107.3 | H101 | H99-H101 AromaticContact CE1-CD2 3.51Å; H99-H101 AromaticContact CE1-CE1 3.57Å; H99-H101 AromaticContact CE1-CG 3.43Å; H99-H101 VanDerWaalsContact CE1-CG 3.43Å; H99-H101 AromaticContact CE1-ND1 3.48Å; H99-H101 PolarHBondContact CE1-ND1 2.9Å; H99-H101 AromaticContact CE1-NE2 3.58Å; H99-H101 AromaticContact ND1-CD2 3.25Å; H99-H101 PolarHBondContact ND1-CD2 3.04Å; H99-H101 VanDerWaalsContact ND1-CD2 3.25Å; H99-H101 AromaticContact ND1-CE1 3.9Å; H99-H101 AromaticContact ND1-CG 3.63Å; H99-H101 PolarHBondContact ND1-N 3.06Å; H99-H101 AromaticContact ND1-NE2 3.43Å; H99-H101 PolarHBondContact ND1-NE2 3.27Å | ||
| 100 | P | 36.6 | Very low | 33.9 | Very low | 121 Ų | 121 | 143 Ų | 143 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -93.3 | 119.3 | 156.6 | -0.6 | 20.1 | 0 | 0 | 0 | 108.7 | Y102 | P100-Y102 PolarHBondContact O-N 3.15Š| ||
| 101 | H | 35.1 | Very low | 33.8 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | -60.4 | 128.2 | 164.7 | -74.7 | -94.4 | 0 | 0 | 0 | 109.5 | H99 | H99-H101 AromaticContact CE1-CD2 3.51Å; H99-H101 AromaticContact CE1-CE1 3.57Å; H99-H101 AromaticContact CE1-CG 3.43Å; H99-H101 VanDerWaalsContact CE1-CG 3.43Å; H99-H101 AromaticContact CE1-ND1 3.48Å; H99-H101 PolarHBondContact CE1-ND1 2.9Å; H99-H101 AromaticContact CE1-NE2 3.58Å; H99-H101 AromaticContact ND1-CD2 3.25Å; H99-H101 PolarHBondContact ND1-CD2 3.04Å; H99-H101 VanDerWaalsContact ND1-CD2 3.25Å; H99-H101 AromaticContact ND1-CE1 3.9Å; H99-H101 AromaticContact ND1-CG 3.63Å; H99-H101 PolarHBondContact ND1-N 3.06Å; H99-H101 AromaticContact ND1-NE2 3.43Å; H99-H101 PolarHBondContact ND1-NE2 3.27Å | ||
| 102 | Y | 26.9 | Very low | 33.7 | Very low | 226 Ų | 226 | 152.6 Ų | 152.6 | 89% | 0.886 | 81% | 0.805 | S | S | * | * | trans | -124.8 | 103.1 | 149.2 | -159.8 | -101.6 | 0 | 0 | 0 | 108.4 | P100 | P100-Y102 PolarHBondContact O-N 3.15Š| ||
| 103 | S | 35.2 | Very low | 33.6 | Very low | 101 Ų | 101 | 152.6 Ų | 152.6 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | trans | -74 | 133.2 | 172.4 | -166.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 104 | S | 33.7 | Very low | 33.6 | Very low | 105 Ų | 105 | 152.3 Ų | 152.3 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -56 | 136.4 | 172.4 | 42.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 105 | R | 32.9 | Very low | 33.7 | Very low | 216 Ų | 216 | 152.7 Ų | 152.7 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | trans | -166.4 | 87.1 | 143.4 | -169 | 170 | -70.5 | -150.4 | -0.9 | 110 | ||||
| 106 | I | 33.6 | Very low | 33.7 | Very low | 173 Ų | 173 | 149.1 Ų | 149.1 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | -97.2 | 108.8 | 159 | -64.1 | -176.3 | 0 | 0 | 0 | 106.2 | ||||
| 107 | Q | 31.8 | Very low | 33.4 | Very low | 161 Ų | 161 | 147 Ų | 147 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -85.5 | 143.7 | 156.6 | -81 | -174.9 | 2.2 | 0 | 0 | 108.2 | ||||
| 108 | A | 28.3 | Very low | 33.9 | Very low | 102 Ų | 102 | 153.4 Ų | 153.4 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -55.9 | 140.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 109 | S | 31.6 | Very low | 34 | Very low | 114 Ų | 114 | 151.6 Ų | 151.6 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -142 | 113.5 | 148.5 | -168.4 | 0 | 0 | 0 | 0 | 108.5 | K111 | S109-K111 PolarHBondContact O-N 3.49Š| ||
| 110 | T | 38.7 | Very low | 34.5 | Very low | 129 Ų | 129 | 153.6 Ų | 153.6 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -35 | 115.2 | 166.5 | 35.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 111 | K | 36.6 | Very low | 34.7 | Very low | 198 Ų | 198 | 156.2 Ų | 156.2 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -136.2 | 133 | 140.7 | -83.4 | -169.9 | 176.1 | 176.4 | 0 | 108.2 | S109 D113 | S109-K111 PolarHBondContact O-N 3.49Å; K111-D113 PolarHBondContact O-N 3.16Å | ||
| 112 | E | 33.1 | Very low | 34.8 | Very low | 190 Ų | 190 | 156.6 Ų | 156.6 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -68.1 | 119.5 | -172.3 | -56.6 | -179.2 | 160 | 0 | 0 | 109.3 | Q114 | E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 2.78Å; E112-Q114 VanDerWaalsContact O-N 3.1Å | ||
| 113 | D | 32.2 | Very low | 35.5 | Very low | 169 Ų | 169 | 153.7 Ų | 153.7 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | trans | -77.7 | 91 | 165.2 | -73.7 | -34.9 | 0 | 0 | 0 | 107.3 | K111 A115 | K111-D113 PolarHBondContact O-N 3.16Å; D113-A115 PolarHBondContact O-N 2.99Å | ||
| 114 | Q | 36.5 | Very low | 35.8 | Very low | 187 Ų | 187 | 154.5 Ų | 154.5 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -61.8 | 123 | 164.5 | -161.8 | 168.7 | 21.5 | 0 | 0 | 107.6 | E112 L116 | E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 2.78Å; E112-Q114 VanDerWaalsContact O-N 3.1Å; Q114-L116 PolarHBondContact O-N 2.89Å | ||
| 115 | A | 33.3 | Very low | 36.6 | Very low | 82 Ų | 82 | 158.3 Ų | 158.3 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | trans | -42.2 | 127.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | D113 S117 | D113-A115 PolarHBondContact O-N 2.99Å; A115-S117 PolarHBondContact O-N 3.48Å | ||
| 116 | L | 35.6 | Very low | 37.2 | Very low | 177 Ų | 177 | 152.9 Ų | 152.9 | 93% | 0.927 | 81% | 0.805 | S | S | * | * | trans | -62.4 | 82.5 | 162.4 | -176.6 | 74.4 | 0 | 0 | 0 | 107.6 | Q114 K118 | Q114-L116 PolarHBondContact O-N 2.89Å; L116-K118 PolarHBondContact O-N 3.46Å | ||
| 117 | S | 32.4 | Very low | 38.3 | Very low | 78 Ų | 78 | 151.3 Ų | 151.3 | 55% | 0.545 | 80% | 0.799 | S | S | . | * | trans | -61.1 | 123.7 | 161.3 | 40.3 | 0 | 0 | 0 | 0 | 106.9 | A115 E119 | A115-S117 PolarHBondContact O-N 3.48Å; S117-E119 PolarHBondContact O-N 3.42Å | ||
| 118 | K | 42.6 | Very low | 39.3 | Very low | 199 Ų | 199 | 146.9 Ų | 146.9 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | trans | -64.9 | 87.5 | 169.2 | -161.5 | 175.7 | -172.3 | -177.2 | 0 | 106.7 | L116 E120 | L116-K118 PolarHBondContact O-N 3.46Å; K118-E120 PolarHBondContact O-N 3.29Å; K118-E120 VanDerWaalsContact O-N 3.17Å | ||
| 119 | E | 34.4 | Very low | 41 | Very low | 162 Ų | 162 | 150.3 Ų | 150.3 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | trans | -71.9 | 103.5 | 165.9 | -69.9 | -173.9 | -179.7 | 0 | 0 | 105.7 | S117 E121 | S117-E119 PolarHBondContact O-N 3.42Å; E119-E121 VanDerWaalsContact C-N 3.34Å; E119-E121 PolarHBondContact O-N 3.07Å; E119-E121 VanDerWaalsContact O-N 3.07Å | ||
| 120 | E | 43.8 | Very low | 42.4 | Very low | 177 Ų | 177 | 150.1 Ų | 150.1 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -56.7 | 106.5 | 155.6 | -70.1 | -176.7 | 156.7 | 0 | 0 | 105.8 | K118 M122 | K118-E120 PolarHBondContact O-N 3.29Å; K118-E120 VanDerWaalsContact O-N 3.17Å; E120-M122 PolarHBondContact O-N 3.22Å | ||
| 121 | E | 39.6 | Very low | 43.5 | Very low | 175 Ų | 175 | 153 Ų | 153 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -61.3 | 90.1 | 164.2 | -77.5 | -177.5 | 158.2 | 0 | 0 | 107 | E119 E123 | E119-E121 VanDerWaalsContact C-N 3.34Å; E119-E121 PolarHBondContact O-N 3.07Å; E119-E121 VanDerWaalsContact O-N 3.07Å; E121-E123 PolarHBondContact O-N 2.94Å | ||
| 122 | M | 38.9 | Very low | 44.8 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 82% | 0.823 | 77% | 0.774 | S | S | * | * | trans | -66.3 | 92 | 160 | -177 | 167.1 | 179 | 0 | 0 | 105.7 | E120 T124 | E120-M122 PolarHBondContact O-N 3.22Å; M122-T124 VanDerWaalsContact C-N 3.32Å; M122-T124 PolarHBondContact O-N 3.42Å; M122-T124 PolarHBondContact O-OG1 3.48Å; M122-T124 VanDerWaalsContact O-OG1 3.13Å | ||
| 123 | E | 40.3 | Very low | 46.7 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -48.4 | 103.4 | 166.4 | -77.4 | -73.6 | -171.2 | 0 | 0 | 107.2 | E121 E125 | E121-E123 PolarHBondContact O-N 2.94Å; E123-E125 PolarHBondContact O-N 3.39Å; E123-E125 VanDerWaalsContact O-N 3.08Å | ||
| 124 | T | 41.5 | Very low | 48.2 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | trans | -77 | 102.1 | -179.3 | -44.8 | 0 | 0 | 0 | 0 | 104.3 | M122 S126 | M122-T124 VanDerWaalsContact C-N 3.32Å; M122-T124 PolarHBondContact O-N 3.42Å; M122-T124 PolarHBondContact O-OG1 3.48Å; M122-T124 VanDerWaalsContact O-OG1 3.13Å; T124-S126 PolarHBondContact O-N 2.89Å | ||
| 125 | E | 50.8 | Low | 49.6 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | trans | -58.2 | 89.4 | 169.7 | -172.4 | 178.1 | -161.6 | 0 | 0 | 107.5 | E123 D127 | E123-E125 PolarHBondContact O-N 3.39Å; E123-E125 VanDerWaalsContact O-N 3.08Å; E125-D127 PolarHBondContact O-N 3.22Å | ||
| 126 | S | 45.5 | Very low | 51.1 | Low | 103 Ų | 103 | 141 Ų | 141 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | trans | -68.2 | 90.2 | 172.2 | 159.5 | 0 | 0 | 0 | 0 | 107 | T124 A128 | T124-S126 PolarHBondContact O-N 2.89Å; S126-A128 PolarHBondContact O-N 3.08Å | ||
| 127 | D | 55.9 | Low | 52.6 | Low | 139 Ų | 139 | 138.7 Ų | 138.7 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | -66.1 | 70.6 | 169.1 | -169.6 | 23.8 | 0 | 0 | 0 | 109.9 | E125 E129 | E125-D127 PolarHBondContact O-N 3.22Å; D127-E129 PolarHBondContact O-N 2.75Å | ||
| 128 | A | 54.6 | Low | 54.4 | Low | 68 Ų | 68 | 143.5 Ų | 143.5 | 56% | 0.562 | 75% | 0.745 | S | S | * | * | trans | -78.7 | 96.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 105.5 | S126 V130 | S126-A128 PolarHBondContact O-N 3.08Å; A128-V130 PolarHBondContact O-N 2.82Å | ||
| 129 | E | 63.6 | Low | 55.9 | Low | 175 Ų | 175 | 139.8 Ų | 139.8 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -62.8 | 78.4 | 173.6 | -158.6 | 174.1 | -152.9 | 0 | 0 | 108.6 | D127 E131 | D127-E129 PolarHBondContact O-N 2.75Å; E129-E131 VanDerWaalsContact C-N 3.34Å; E129-E131 PolarHBondContact O-N 2.91Å; E129-E131 VanDerWaalsContact O-N 3.08Å | ||
| 130 | V | 59.9 | Low | 58.3 | Low | 110 Ų | 110 | 136 Ų | 136 | 67% | 0.667 | 72% | 0.721 | S | S | * | * | trans | -75.9 | 94.5 | 171 | -179.5 | 0 | 0 | 0 | 0 | 105.6 | A128 C132 | A128-V130 PolarHBondContact O-N 2.82Å; V130-C132 PolarHBondContact O-N 2.85Å; V130-C132 PolarHBondContact O-SG 3.34Å | ||
| 131 | E | 62.4 | Low | 60.1 | Low | 190 Ų | 190 | 133 Ų | 133 | 89% | 0.888 | 71% | 0.707 | S | S | * | * | trans | -61.3 | 87.9 | 171.7 | -167.7 | 173.4 | -164.5 | 0 | 0 | 108.7 | E129 D133 | E129-E131 VanDerWaalsContact C-N 3.34Å; E129-E131 PolarHBondContact O-N 2.91Å; E129-E131 VanDerWaalsContact O-N 3.08Å; E131-D133 PolarHBondContact O-N 3.4Å | ||
| 132 | C | 63.2 | Low | 62.2 | Low | 88 Ų | 88 | 132.1 Ų | 132.1 | 60% | 0.595 | 70% | 0.703 | S | S | * | * | trans | -74.1 | 106.5 | 175.3 | -68.3 | 0 | 0 | 0 | 0 | 108 | V130 L134 | V130-C132 PolarHBondContact O-N 2.85Å; V130-C132 PolarHBondContact O-SG 3.34Å; C132-L134 HydrophobicContact CB-CD2 4.38Å; C132-L134 WeakPolarHBondContact O-CG 3.44Å; C132-L134 PolarHBondContact O-N 3Å | ||
| 133 | D | 72.8 | Confident | 64.6 | Low | 117 Ų | 117 | 127 Ų | 127 | 63% | 0.626 | 68% | 0.678 | S | S | * | * | trans | -62.8 | 97.8 | 175.3 | -174.4 | 4.6 | 0 | 0 | 0 | 110.6 | E131 S135 | E131-D133 PolarHBondContact O-N 3.4Å; D133-S135 PolarHBondContact O-N 3.48Å; D133-S135 VanDerWaalsContact OD1-CB 3.27Å; D133-S135 WeakPolarHBondContact OD1-CB 3.36Å; D133-S135 PolarHBondContact OD1-N 3.44Å; D133-S135 PolarHBondContact OD1-OG 2.83Å; D133-S135 PolarHBondContact OD2-OG 2.96Å | ||
| 134 | L | 63.7 | Low | 66.7 | Low | 131 Ų | 131 | 127.1 Ų | 127.1 | 69% | 0.686 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -77 | -3.4 | -177.5 | -58.5 | -179.7 | 0 | 0 | 0 | 113.1 | C132 N136 M137 | C132-L134 HydrophobicContact CB-CD2 4.38Å; C132-L134 WeakPolarHBondContact O-CG 3.44Å; C132-L134 PolarHBondContact O-N 3Å; L134-N136 PolarHBondContact O-N 3.35Å; L134-M137 PolarHBondContact O-N 3.2Å |
| 135 | S | 65.8 | Low | 69.1 | Low | 90 Ų | 90 | 127 Ų | 127 | 63% | 0.629 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -67.4 | -17.8 | -173.3 | 67.5 | 0 | 0 | 0 | 0 | 114.3 | D133 | D133-S135 PolarHBondContact O-N 3.48Å; D133-S135 VanDerWaalsContact OD1-CB 3.27Å; D133-S135 WeakPolarHBondContact OD1-CB 3.36Å; D133-S135 PolarHBondContact OD1-N 3.44Å; D133-S135 PolarHBondContact OD1-OG 2.83Å; D133-S135 PolarHBondContact OD2-OG 2.96Å |
| 136 | N | 66.5 | Low | 71.1 | Confident | 147 Ų | 147 | 125.1 Ų | 125.1 | 79% | 0.786 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -107.2 | 3 | 180 | -86.5 | -21.2 | 0 | 0 | 0 | 114.9 | L134 E138 | L134-N136 PolarHBondContact O-N 3.35Å; N136-E138 PolarHBondContact O-N 2.65Å |
| 137 | M | 65.4 | Low | 73.3 | Confident | 129 Ų | 129 | 125.8 Ų | 125.8 | 64% | 0.635 | 64% | 0.639 | S | S | * | * | trans | -94.9 | 92 | 178.1 | -74.7 | -163.5 | 69.8 | 0 | 0 | 111.6 | L134 I139 | L134-M137 PolarHBondContact O-N 3.2Å; M137-I139 PolarHBondContact O-N 3.47Å; M137-I139 VanDerWaalsContact O-N 3.13Å | ||
| 138 | E | 70.8 | Confident | 75 | Confident | 179 Ų | 179 | 121.9 Ų | 121.9 | 84% | 0.836 | 63% | 0.626 | S | S | * | * | trans | -67.2 | 108.5 | 163 | -70.3 | 174.8 | 172.8 | 0 | 0 | 108.6 | N136 T140 | N136-E138 PolarHBondContact O-N 2.65Å; E138-T140 VanDerWaalsContact C-N 3.35Å; E138-T140 PolarHBondContact O-N 3.13Å | ||
| 139 | I | 74.3 | Confident | 76.7 | Confident | 120 Ų | 120 | 123.9 Ų | 123.9 | 62% | 0.615 | 62% | 0.624 | S | S | * | * | trans | -68.5 | 99.1 | 171.2 | -58.3 | 173.7 | 0 | 0 | 0 | 106.7 | M137 R144 | M137-I139 PolarHBondContact O-N 3.47Å; M137-I139 VanDerWaalsContact O-N 3.13Å; I139-R144 HydrophobicContact CG2-CB 4.27Å | ||
| 140 | T | 84.6 | Confident | 78.1 | Confident | 82 Ų | 82 | 117 Ų | 117 | 50% | 0.503 | 59% | 0.594 | S | S | . | * | trans | -60.3 | 144.3 | 175.2 | 57.4 | 0 | 0 | 0 | 0 | 109.7 | E138 E142 L143 R144 | E138-T140 VanDerWaalsContact C-N 3.35Å; E138-T140 PolarHBondContact O-N 3.13Å; T140-E142 PolarHBondContact O-N 2.96Å; T140-E142 VanDerWaalsContact O-N 3.16Å; T140-L143 PolarHBondContact O-N 3.13Å; T140-L143 WeakPolarHBondContact OG1-CB 3.25Å; T140-R144 PolarHBondContact O-N 3.42Å; T140-R144 VanDerWaalsContact O-N 3.11Å | ||
| 141 | E | 82.3 | Confident | 79.6 | Confident | 115 Ų | 115 | 115.2 Ų | 115.2 | 54% | 0.537 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -57.2 | -32.2 | -179.2 | -177.2 | 57.1 | -149.3 | 0 | 0 | 111.9 | R144 Q145 | E141-R144 WeakPolarHBondContact O-CB 3.36Å; E141-R144 PolarHBondContact O-N 3.39Å; E141-Q145 WeakPolarHBondContact O-CG 3.5Å; E141-Q145 PolarHBondContact O-N 3Å; E141-Q145 VanDerWaalsContact O-N 3.09Å |
| 142 | E | 84.3 | Confident | 81 | Confident | 156 Ų | 156 | 114.7 Ų | 114.7 | 73% | 0.729 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.3 | -40.3 | 174.8 | -62.9 | -153.2 | 165.8 | 0 | 0 | 112.9 | T140 R144 Q145 Y146 | T140-E142 PolarHBondContact O-N 2.96Å; T140-E142 VanDerWaalsContact O-N 3.16Å; E142-R144 VanDerWaalsContact C-N 3.31Å; E142-R144 PolarHBondContact O-N 3.43Å; E142-Q145 PolarHBondContact O-N 3.31Å; E142-Y146 PolarHBondContact O-N 3.21Å |
| 143 | L | 87.6 | Confident | 82.5 | Confident | 60 Ų | 60 | 115.3 Ų | 115.3 | 31% | 0.314 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.3 | -35 | 178.1 | -172.2 | 64.3 | 0 | 0 | 0 | 111.2 | T140 Q145 Y146 F147 | T140-L143 PolarHBondContact O-N 3.13Å; T140-L143 WeakPolarHBondContact OG1-CB 3.25Å; L143-Q145 VanDerWaalsContact C-N 3.34Å; L143-Y146 HydrophobicContact CD1-CD1 4.39Å; L143-Y146 PolarHBondContact O-N 2.99Å; L143-F147 HydrophobicContact CD1-CD2 4.48Å; L143-F147 HydrophobicContact CD1-CE2 3.94Å; L143-F147 HydrophobicContact CD1-CZ 4.14Å; L143-F147 HydrophobicContact CD2-CE2 3.9Å; L143-F147 HydrophobicContact CD2-CZ 4.47Å; L143-F147 HydrophobicContact CG-CD2 4.02Å; L143-F147 HydrophobicContact CG-CE2 3.53Å; L143-F147 HydrophobicContact CG-CZ 4.21Å; L143-F147 WeakPolarHBondContact O-CD2 3.49Å; L143-F147 PolarHBondContact O-N 3.08Å |
| 144 | R | 86.3 | Confident | 83.4 | Confident | 168 Ų | 168 | 115.8 Ų | 115.8 | 63% | 0.634 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61 | -42.4 | 172.2 | -176.3 | -176.5 | 167.1 | 128.1 | 0.1 | 111.7 | I139 T140 E141 E142 A148 | I139-R144 HydrophobicContact CG2-CB 4.27Å; T140-R144 PolarHBondContact O-N 3.42Å; T140-R144 VanDerWaalsContact O-N 3.11Å; E141-R144 WeakPolarHBondContact O-CB 3.36Å; E141-R144 PolarHBondContact O-N 3.39Å; E142-R144 VanDerWaalsContact C-N 3.31Å; E142-R144 PolarHBondContact O-N 3.43Å; R144-A148 PolarHBondContact O-N 3.31Å; R144-A148 VanDerWaalsContact O-N 3.17Å |
| 145 | Q | 90.9 | Very high | 84.8 | Confident | 115 Ų | 115 | 113.6 Ų | 113.6 | 54% | 0.537 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.3 | -42.2 | 175.7 | -69.5 | 171.8 | 19 | 0 | 0 | 111.9 | E141 E142 L143 F147 A148 E149 | E141-Q145 WeakPolarHBondContact O-CG 3.5Å; E141-Q145 PolarHBondContact O-N 3Å; E141-Q145 VanDerWaalsContact O-N 3.09Å; E142-Q145 PolarHBondContact O-N 3.31Å; L143-Q145 VanDerWaalsContact C-N 3.34Å; Q145-F147 PolarHBondContact O-N 2.81Å; Q145-A148 WeakPolarHBondContact O-CB 3.43Å; Q145-A148 PolarHBondContact O-N 3.49Å; Q145-E149 PolarHBondContact O-N 2.88Å |
| 146 | Y | 92.6 | Very high | 86.1 | Confident | 146 Ų | 146 | 115.2 Ų | 115.2 | 57% | 0.573 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.3 | -42.5 | 176.6 | 177.7 | -100.2 | 0 | 0 | 0 | 112.8 | E142 L143 E149 T150 | E142-Y146 PolarHBondContact O-N 3.21Å; L143-Y146 HydrophobicContact CD1-CD1 4.39Å; L143-Y146 PolarHBondContact O-N 2.99Å; Y146-E149 PolarHBondContact O-N 2.82Å; Y146-T150 WeakPolarHBondContact O-CB 3.28Å; Y146-T150 PolarHBondContact O-N 3.49Å; Y146-T150 PolarHBondContact O-OG1 2.78Å |
| 147 | F | 92 | Very high | 87.2 | Confident | 117 Ų | 117 | 116.6 Ų | 116.6 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 175.1 | -73.5 | -52.1 | 0 | 0 | 0 | 112.3 | L143 Q145 E149 T150 E151 | L143-F147 HydrophobicContact CD1-CD2 4.48Å; L143-F147 HydrophobicContact CD1-CE2 3.94Å; L143-F147 HydrophobicContact CD1-CZ 4.14Å; L143-F147 HydrophobicContact CD2-CE2 3.9Å; L143-F147 HydrophobicContact CD2-CZ 4.47Å; L143-F147 HydrophobicContact CG-CD2 4.02Å; L143-F147 HydrophobicContact CG-CE2 3.53Å; L143-F147 HydrophobicContact CG-CZ 4.21Å; L143-F147 WeakPolarHBondContact O-CD2 3.49Å; L143-F147 PolarHBondContact O-N 3.08Å; Q145-F147 PolarHBondContact O-N 2.81Å; F147-E149 VanDerWaalsContact C-N 3.34Å; F147-E149 PolarHBondContact O-N 3.02Å; F147-T150 PolarHBondContact O-N 3.44Å; F147-E151 PolarHBondContact O-N 3.18Å |
| 148 | A | 90.6 | Very high | 88.6 | Confident | 57 Ų | 57 | 116.2 Ų | 116.2 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | R144 Q145 R152 | R144-A148 PolarHBondContact O-N 3.31Å; R144-A148 VanDerWaalsContact O-N 3.17Å; Q145-A148 WeakPolarHBondContact O-CB 3.43Å; Q145-A148 PolarHBondContact O-N 3.49Å; A148-R152 WeakPolarHBondContact O-CG 3.39Å; A148-R152 PolarHBondContact O-N 3.44Å |
| 149 | E | 92.1 | Very high | 89.7 | Confident | 109 Ų | 109 | 115.6 Ų | 115.6 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.4 | -40 | 177.1 | -165.3 | 175.2 | 161.7 | 0 | 0 | 112.2 | Q145 Y146 F147 E151 R152 H153 | Q145-E149 PolarHBondContact O-N 2.88Å; Y146-E149 PolarHBondContact O-N 2.82Å; F147-E149 VanDerWaalsContact C-N 3.34Å; F147-E149 PolarHBondContact O-N 3.02Å; E149-E151 VanDerWaalsContact C-N 3.35Å; E149-E151 PolarHBondContact O-N 3.23Å; E149-R152 PolarHBondContact O-N 2.87Å; E149-H153 PolarHBondContact O-N 2.88Å; E149-H153 IonicContact OE1-CE1 3.94Å |
| 150 | T | 92.3 | Very high | 90.4 | Very high | 30 Ų | 30 | 114.6 Ų | 114.6 | 18% | 0.184 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 176.3 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | Y146 F147 H153 R154 | Y146-T150 WeakPolarHBondContact O-CB 3.28Å; Y146-T150 PolarHBondContact O-N 3.49Å; Y146-T150 PolarHBondContact O-OG1 2.78Å; F147-T150 PolarHBondContact O-N 3.44Å; T150-H153 PolarHBondContact O-N 3.48Å; T150-R154 WeakPolarHBondContact O-CG 3.41Å; T150-R154 PolarHBondContact O-N 2.89Å |
| 151 | E | 91 | Very high | 90.4 | Very high | 73 Ų | 73 | 116.6 Ų | 116.6 | 34% | 0.341 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 174.6 | -85.2 | -55.3 | 119.6 | 0 | 0 | 111.9 | F147 E149 H153 R154 E155 R158 | F147-E151 PolarHBondContact O-N 3.18Å; E149-E151 VanDerWaalsContact C-N 3.35Å; E149-E151 PolarHBondContact O-N 3.23Å; E151-H153 VanDerWaalsContact C-N 3.33Å; E151-H153 PolarHBondContact O-N 2.87Å; E151-R154 WeakPolarHBondContact O-CB 3.45Å; E151-R154 PolarHBondContact O-N 3.01Å; E151-R154 VanDerWaalsContact O-N 3.11Å; E151-R154 VanDerWaalsContact OE1-CD 3.24Å; E151-R154 WeakPolarHBondContact OE1-CD 3.41Å; E151-R154 IonicContact OE1-CZ 3.23Å; E151-R154 IonicContact OE1-NE 3.69Å; E151-R154 IonicContact OE1-NH1 2.73Å; E151-R154 PolarHBondContact OE1-NH1 2.99Å; E151-E155 WeakPolarHBondContact O-CG 3.43Å; E151-E155 PolarHBondContact O-N 3.38Å; E151-R158 IonicContact OE2-NH2 2.92Å |
| 152 | R | 92.8 | Very high | 90.8 | Very high | 180 Ų | 180 | 116.8 Ų | 116.8 | 68% | 0.679 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -56.6 | -44.9 | 174.6 | -76.2 | -174.5 | 66.7 | -151.5 | -6 | 112.5 | A148 E149 E155 E156 | A148-R152 WeakPolarHBondContact O-CG 3.39Å; A148-R152 PolarHBondContact O-N 3.44Å; E149-R152 PolarHBondContact O-N 2.87Å; R152-E155 PolarHBondContact O-N 3.44Å; R152-E156 WeakPolarHBondContact O-CB 3.48Å; R152-E156 PolarHBondContact O-N 3.1Å |
| 153 | H | 94.1 | Very high | 91 | Very high | 100 Ų | 100 | 114 Ų | 114 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.2 | -34.9 | 176.7 | -73.3 | 146.6 | 0 | 0 | 0 | 113 | E149 T150 E151 E156 R157 | E149-H153 PolarHBondContact O-N 2.88Å; E149-H153 IonicContact OE1-CE1 3.94Å; T150-H153 PolarHBondContact O-N 3.48Å; E151-H153 VanDerWaalsContact C-N 3.33Å; E151-H153 PolarHBondContact O-N 2.87Å; H153-E156 IonicContact CD2-OE2 2.74Å; H153-E156 PolarHBondContact O-N 3.27Å; H153-R157 PolarHBondContact O-N 3.18Å |
| 154 | R | 92.4 | Very high | 90.6 | Very high | 128 Ų | 128 | 114.7 Ų | 114.7 | 48% | 0.483 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.4 | -41.9 | 174.2 | -76.3 | 172.4 | 178.9 | 163.7 | 0.5 | 111.5 | T150 E151 R158 | T150-R154 WeakPolarHBondContact O-CG 3.41Å; T150-R154 PolarHBondContact O-N 2.89Å; E151-R154 WeakPolarHBondContact O-CB 3.45Å; E151-R154 PolarHBondContact O-N 3.01Å; E151-R154 VanDerWaalsContact O-N 3.11Å; E151-R154 VanDerWaalsContact OE1-CD 3.24Å; E151-R154 WeakPolarHBondContact OE1-CD 3.41Å; E151-R154 IonicContact OE1-CZ 3.23Å; E151-R154 IonicContact OE1-NE 3.69Å; E151-R154 IonicContact OE1-NH1 2.73Å; E151-R154 PolarHBondContact OE1-NH1 2.99Å; R154-R158 WeakPolarHBondContact O-CB 3.1Å; R154-R158 PolarHBondContact O-N 3.07Å; R154-R158 PolarHBondContact O-NE 2.98Å |
| 155 | E | 93.1 | Very high | 90.4 | Very high | 84 Ų | 84 | 109.1 Ų | 109.1 | 39% | 0.393 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 175.3 | -71.6 | -175.6 | 171.8 | 0 | 0 | 112.1 | E151 R152 R158 R159 | E151-E155 WeakPolarHBondContact O-CG 3.43Å; E151-E155 PolarHBondContact O-N 3.38Å; R152-E155 PolarHBondContact O-N 3.44Å; E155-R158 WeakPolarHBondContact O-CB 3.39Å; E155-R158 PolarHBondContact O-N 2.94Å; E155-R159 WeakPolarHBondContact O-CG 3.47Å; E155-R159 PolarHBondContact O-N 3.39Å |
| 156 | E | 91.8 | Very high | 90.1 | Very high | 125 Ų | 125 | 109.7 Ų | 109.7 | 58% | 0.584 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.6 | -44.2 | 177.6 | -173.2 | 165.6 | -137.6 | 0 | 0 | 111.8 | R152 H153 R158 R159 Q160 | R152-E156 WeakPolarHBondContact O-CB 3.48Å; R152-E156 PolarHBondContact O-N 3.1Å; H153-E156 IonicContact CD2-OE2 2.74Å; H153-E156 PolarHBondContact O-N 3.27Å; E156-R158 VanDerWaalsContact C-N 3.34Å; E156-R158 PolarHBondContact O-N 2.79Å; E156-R159 PolarHBondContact O-N 3.13Å; E156-Q160 WeakPolarHBondContact O-CB 3.32Å; E156-Q160 PolarHBondContact O-N 3.02Å |
| 157 | R | 90.3 | Very high | 89.2 | Confident | 176 Ų | 176 | 109.6 Ų | 109.6 | 66% | 0.664 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61 | -41.3 | 172 | -78 | -152.1 | -59.8 | 170.5 | -0.2 | 112.5 | H153 Q160 Q161 | H153-R157 PolarHBondContact O-N 3.18Å; R157-Q160 PolarHBondContact O-N 3.37Å; R157-Q161 WeakPolarHBondContact O-CB 3.25Å; R157-Q161 WeakPolarHBondContact O-CG 3.41Å; R157-Q161 PolarHBondContact O-N 2.99Å |
| 158 | R | 94 | Very high | 88.3 | Confident | 121 Ų | 121 | 109.4 Ų | 109.4 | 46% | 0.457 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 176 | -89.3 | -178.7 | -86.9 | 129.3 | -6.1 | 111.6 | E151 R154 E155 E156 Q161 Q162 | E151-R158 IonicContact OE2-NH2 2.92Å; R154-R158 WeakPolarHBondContact O-CB 3.1Å; R154-R158 PolarHBondContact O-N 3.07Å; R154-R158 PolarHBondContact O-NE 2.98Å; E155-R158 WeakPolarHBondContact O-CB 3.39Å; E155-R158 PolarHBondContact O-N 2.94Å; E156-R158 VanDerWaalsContact C-N 3.34Å; E156-R158 PolarHBondContact O-N 2.79Å; R158-Q161 PolarHBondContact O-N 2.82Å; R158-Q162 WeakPolarHBondContact O-CG 3.07Å; R158-Q162 PolarHBondContact O-N 2.88Å |
| 159 | R | 94.3 | Very high | 87.4 | Confident | 166 Ų | 166 | 113.6 Ų | 113.6 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.3 | -44 | 176.1 | -72.8 | -179.2 | -175.4 | -179.3 | 4.5 | 112 | E155 E156 Q161 Q162 L163 | E155-R159 WeakPolarHBondContact O-CG 3.47Å; E155-R159 PolarHBondContact O-N 3.39Å; E156-R159 PolarHBondContact O-N 3.13Å; R159-Q161 VanDerWaalsContact C-N 3.35Å; R159-Q161 PolarHBondContact O-N 3.36Å; R159-Q162 PolarHBondContact O-N 2.87Å; R159-L163 WeakPolarHBondContact O-CG 3.48Å; R159-L163 PolarHBondContact O-N 3.23Å |
| 160 | Q | 88.3 | Confident | 86.3 | Confident | 98 Ų | 98 | 113.3 Ų | 113.3 | 46% | 0.458 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 178 | -172.5 | 58.3 | 44.8 | 0 | 0 | 111.6 | E156 R157 Q162 L163 D164 | E156-Q160 WeakPolarHBondContact O-CB 3.32Å; E156-Q160 PolarHBondContact O-N 3.02Å; R157-Q160 PolarHBondContact O-N 3.37Å; Q160-Q162 VanDerWaalsContact C-N 3.32Å; Q160-Q162 PolarHBondContact O-N 2.9Å; Q160-L163 PolarHBondContact O-N 3.39Å; Q160-D164 PolarHBondContact NE2-OD1 2.89Å; Q160-D164 PolarHBondContact NE2-OD2 3.36Å; Q160-D164 WeakPolarHBondContact O-CB 3.38Å; Q160-D164 PolarHBondContact O-N 3.47Å |
| 161 | Q | 86.4 | Confident | 85 | Confident | 125 Ų | 125 | 115.1 Ų | 115.1 | 58% | 0.584 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.4 | -40.1 | 174.5 | -77.5 | 177.9 | 5.4 | 0 | 0 | 112.6 | R157 R158 R159 D164 A165 | R157-Q161 WeakPolarHBondContact O-CB 3.25Å; R157-Q161 WeakPolarHBondContact O-CG 3.41Å; R157-Q161 PolarHBondContact O-N 2.99Å; R158-Q161 PolarHBondContact O-N 2.82Å; R159-Q161 VanDerWaalsContact C-N 3.35Å; R159-Q161 PolarHBondContact O-N 3.36Å; Q161-D164 PolarHBondContact O-N 2.98Å; Q161-A165 VanDerWaalsContact O-CB 3.25Å; Q161-A165 WeakPolarHBondContact O-CB 3.47Å; Q161-A165 PolarHBondContact O-N 3.26Å |
| 162 | Q | 89.7 | Confident | 83.7 | Confident | 118 Ų | 118 | 117.1 Ų | 117.1 | 55% | 0.551 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.8 | -46.6 | 176.3 | -72.6 | 171.6 | -1.8 | 0 | 0 | 111.3 | R158 R159 Q160 D164 A165 E166 | R158-Q162 WeakPolarHBondContact O-CG 3.07Å; R158-Q162 PolarHBondContact O-N 2.88Å; R159-Q162 PolarHBondContact O-N 2.87Å; Q160-Q162 VanDerWaalsContact C-N 3.32Å; Q160-Q162 PolarHBondContact O-N 2.9Å; Q162-D164 PolarHBondContact O-N 2.86Å; Q162-A165 PolarHBondContact O-N 3.27Å; Q162-E166 WeakPolarHBondContact O-CB 3.5Å; Q162-E166 WeakPolarHBondContact O-CG 3.43Å; Q162-E166 PolarHBondContact O-N 3.06Å |
| 163 | L | 88.3 | Confident | 82.3 | Confident | 98 Ų | 98 | 111.1 Ų | 111.1 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 177 | -68.9 | 174.6 | 0 | 0 | 0 | 112.3 | R159 Q160 E166 R167 | R159-L163 WeakPolarHBondContact O-CG 3.48Å; R159-L163 PolarHBondContact O-N 3.23Å; Q160-L163 PolarHBondContact O-N 3.39Å; L163-E166 PolarHBondContact O-N 3.08Å; L163-R167 VanDerWaalsContact O-CB 3.25Å; L163-R167 WeakPolarHBondContact O-CB 3.31Å; L163-R167 PolarHBondContact O-N 3.42Å |
| 164 | D | 80 | Confident | 80.6 | Confident | 75 Ų | 75 | 109.9 Ų | 109.9 | 40% | 0.401 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.4 | -35.2 | 177.7 | -72 | -33.5 | 0 | 0 | 0 | 111.8 | Q160 Q161 Q162 R167 L168 | Q160-D164 PolarHBondContact NE2-OD1 2.89Å; Q160-D164 PolarHBondContact NE2-OD2 3.36Å; Q160-D164 WeakPolarHBondContact O-CB 3.38Å; Q160-D164 PolarHBondContact O-N 3.47Å; Q161-D164 PolarHBondContact O-N 2.98Å; Q162-D164 PolarHBondContact O-N 2.86Å; D164-R167 PolarHBondContact O-N 3.45Å; D164-L168 VanDerWaalsContact O-CB 3.31Å; D164-L168 WeakPolarHBondContact O-CB 3.49Å; D164-L168 PolarHBondContact O-N 3.45Å |
| 165 | A | 82.4 | Confident | 78.9 | Confident | 50 Ų | 50 | 106.7 Ų | 106.7 | 41% | 0.413 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.6 | -43 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q161 Q162 R167 L168 N169 | Q161-A165 VanDerWaalsContact O-CB 3.25Å; Q161-A165 WeakPolarHBondContact O-CB 3.47Å; Q161-A165 PolarHBondContact O-N 3.26Å; Q162-A165 PolarHBondContact O-N 3.27Å; A165-R167 VanDerWaalsContact C-N 3.34Å; A165-L168 PolarHBondContact O-N 3.38Å; A165-N169 PolarHBondContact O-N 3.14Å; A165-N169 PolarHBondContact O-ND2 3.24Å |
| 166 | E | 82.6 | Confident | 77 | Confident | 127 Ų | 127 | 108 Ų | 108 | 59% | 0.593 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.1 | -43 | 172.5 | -75.1 | 175.5 | -168.3 | 0 | 0 | 111.4 | Q162 L163 L168 N169 S170 | Q162-E166 WeakPolarHBondContact O-CB 3.5Å; Q162-E166 WeakPolarHBondContact O-CG 3.43Å; Q162-E166 PolarHBondContact O-N 3.06Å; L163-E166 PolarHBondContact O-N 3.08Å; E166-L168 VanDerWaalsContact C-N 3.3Å; E166-L168 PolarHBondContact O-N 3Å; E166-N169 WeakPolarHBondContact O-CB 3.38Å; E166-N169 PolarHBondContact O-N 3.23Å; E166-S170 PolarHBondContact O-N 3.39Å |
| 167 | R | 75.6 | Confident | 75.3 | Confident | 144 Ų | 144 | 108.8 Ų | 108.8 | 54% | 0.543 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.1 | -36.8 | 174.8 | -174.3 | 179.1 | 177.1 | -167.4 | -3.3 | 112.1 | L163 D164 A165 S170 Y171 | L163-R167 VanDerWaalsContact O-CB 3.25Å; L163-R167 WeakPolarHBondContact O-CB 3.31Å; L163-R167 PolarHBondContact O-N 3.42Å; D164-R167 PolarHBondContact O-N 3.45Å; A165-R167 VanDerWaalsContact C-N 3.34Å; R167-S170 PolarHBondContact O-N 3.44Å; R167-Y171 PolarHBondContact O-N 2.97Å |
| 168 | L | 71.8 | Confident | 73.6 | Confident | 114 Ų | 114 | 106.3 Ų | 106.3 | 60% | 0.597 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -71 | -30.3 | 176.9 | -166.8 | 69.4 | 0 | 0 | 0 | 112.2 | D164 A165 E166 S170 Y171 | D164-L168 VanDerWaalsContact O-CB 3.31Å; D164-L168 WeakPolarHBondContact O-CB 3.49Å; D164-L168 PolarHBondContact O-N 3.45Å; A165-L168 PolarHBondContact O-N 3.38Å; E166-L168 VanDerWaalsContact C-N 3.3Å; E166-L168 PolarHBondContact O-N 3Å; L168-S170 VanDerWaalsContact C-N 3.28Å; L168-S170 PolarHBondContact O-N 3.31Å; L168-Y171 HydrophobicContact CD1-CD1 3.88Å; L168-Y171 HydrophobicContact CD1-CE1 4.46Å; L168-Y171 HydrophobicContact CD1-CG 4.3Å; L168-Y171 VanDerWaalsContact O-CB 3.32Å; L168-Y171 WeakPolarHBondContact O-CB 3.25Å; L168-Y171 PolarHBondContact O-N 2.86Å; L168-Y171 VanDerWaalsContact O-N 3.08Å |
| 169 | N | 71.3 | Confident | 71.7 | Confident | 145 Ų | 145 | 109.7 Ų | 109.7 | 78% | 0.775 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.8 | -32.2 | 173.5 | -74.8 | -45.1 | 0 | 0 | 0 | 112.6 | A165 E166 Y171 | A165-N169 PolarHBondContact O-N 3.14Å; A165-N169 PolarHBondContact O-ND2 3.24Å; E166-N169 WeakPolarHBondContact O-CB 3.38Å; E166-N169 PolarHBondContact O-N 3.23Å; N169-Y171 VanDerWaalsContact C-N 3.28Å |
| 170 | S | 69.4 | Low | 69.7 | Low | 103 Ų | 103 | 106.8 Ų | 106.8 | 72% | 0.72 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -7.5 | 173.4 | -175.6 | 0 | 0 | 0 | 0 | 113.4 | E166 R167 L168 | E166-S170 PolarHBondContact O-N 3.39Å; R167-S170 PolarHBondContact O-N 3.44Å; L168-S170 VanDerWaalsContact C-N 3.28Å; L168-S170 PolarHBondContact O-N 3.31Å |
| 171 | Y | 65.9 | Low | 67.9 | Low | 67 Ų | 67 | 109.3 Ų | 109.3 | 26% | 0.263 | 58% | 0.575 | S | S | . | * | trans | -87.1 | 117.6 | -174.2 | 170.6 | -96 | 0 | 0 | 0 | 110.6 | R167 L168 N169 N173 V237 P239 | R167-Y171 PolarHBondContact O-N 2.97Å; L168-Y171 HydrophobicContact CD1-CD1 3.88Å; L168-Y171 HydrophobicContact CD1-CE1 4.46Å; L168-Y171 HydrophobicContact CD1-CG 4.3Å; L168-Y171 VanDerWaalsContact O-CB 3.32Å; L168-Y171 WeakPolarHBondContact O-CB 3.25Å; L168-Y171 PolarHBondContact O-N 2.86Å; L168-Y171 VanDerWaalsContact O-N 3.08Å; N169-Y171 VanDerWaalsContact C-N 3.28Å; Y171-N173 VanDerWaalsContact CE1-CG 3.49Å; Y171-N173 WeakPolarHBondContact CE1-OD1 3.36Å; Y171-N173 PolarHBondContact OH-OD1 2.76Å; Y171-N173 VanDerWaalsContact OH-OD1 3.13Å; Y171-V237 HydrophobicContact CE2-CB 4.28Å; Y171-V237 HydrophobicContact CE2-CG1 3.63Å; Y171-V237 WeakPolarHBondContact OH-CB 3.43Å; Y171-V237 WeakPolarHBondContact OH-CG1 3.1Å; Y171-P239 HydrophobicContact CD2-CB 4.26Å | ||
| 172 | V | 63.7 | Low | 66.5 | Low | 116 Ų | 116 | 109.2 Ų | 109.2 | 70% | 0.703 | 58% | 0.583 | S | S | * | * | trans | -97.5 | 115.3 | 175.1 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | A174 | V172-A174 PolarHBondContact O-N 2.94Š| ||
| 173 | N | 62.9 | Low | 65 | Low | 53 Ų | 53 | 114.8 Ų | 114.8 | 28% | 0.283 | 60% | 0.599 | S | S | . | * | trans | -66.1 | 132.5 | 171.5 | -67.6 | -80.4 | 0 | 0 | 0 | 109.3 | Y171 D175 H176 | Y171-N173 VanDerWaalsContact CE1-CG 3.49Å; Y171-N173 WeakPolarHBondContact CE1-OD1 3.36Å; Y171-N173 PolarHBondContact OH-OD1 2.76Å; Y171-N173 VanDerWaalsContact OH-OD1 3.13Å; N173-D175 PolarHBondContact O-N 3.4Å; N173-H176 WeakPolarHBondContact CB-NE2 3.46Å; N173-H176 PolarHBondContact ND2-CE1 3.17Å; N173-H176 VanDerWaalsContact ND2-CE1 3.31Å; N173-H176 PolarHBondContact ND2-NE2 3.34Å; N173-H176 WeakPolarHBondContact O-CB 3.42Å; N173-H176 PolarHBondContact O-N 3.29Å; N173-H176 VanDerWaalsContact O-N 3.14Å | ||
| 174 | A | 57.8 | Low | 63.6 | Low | 74 Ų | 74 | 121.4 Ų | 121.4 | 61% | 0.612 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -58.7 | -21.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V172 | V172-A174 PolarHBondContact O-N 2.94Š|
| 175 | D | 56.5 | Low | 62.7 | Low | 61 Ų | 61 | 121.8 Ų | 121.8 | 33% | 0.326 | 63% | 0.626 | S | S | . | * | G | 310 helix | trans | -87.6 | -5.3 | -176.7 | -61.2 | -19.4 | 0 | 0 | 0 | 113.6 | N173 D177 L178 | N173-D175 PolarHBondContact O-N 3.4Å; D175-D177 PolarHBondContact O-N 3.48Å; D175-L178 PolarHBondContact O-N 3.39Å |
| 176 | H | 54.6 | Low | 62.2 | Low | 112 Ų | 112 | 127.8 Ų | 127.8 | 52% | 0.519 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -65 | -23.6 | -178.6 | -71.8 | -23.3 | 0 | 0 | 0 | 113.4 | N173 | N173-H176 WeakPolarHBondContact CB-NE2 3.46Å; N173-H176 PolarHBondContact ND2-CE1 3.17Å; N173-H176 VanDerWaalsContact ND2-CE1 3.31Å; N173-H176 PolarHBondContact ND2-NE2 3.34Å; N173-H176 WeakPolarHBondContact O-CB 3.42Å; N173-H176 PolarHBondContact O-N 3.29Å; N173-H176 VanDerWaalsContact O-N 3.14Å |
| 177 | D | 55.4 | Low | 61.8 | Low | 141 Ų | 141 | 128.8 Ų | 128.8 | 75% | 0.754 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -89.7 | -13.6 | 179.9 | -73.8 | -12.7 | 0 | 0 | 0 | 113.8 | D175 Y179 | D175-D177 PolarHBondContact O-N 3.48Å; D177-Y179 VanDerWaalsContact C-N 3.32Å |
| 178 | L | 54.6 | Low | 61.8 | Low | 124 Ų | 124 | 125.7 Ų | 125.7 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -27.9 | -178.9 | -66 | 177.3 | 0 | 0 | 0 | 112.2 | D175 C180 | D175-L178 PolarHBondContact O-N 3.39Å; L178-C180 PolarHBondContact O-N 3.25Å |
| 179 | Y | 54.3 | Low | 61.8 | Low | 193 Ų | 193 | 125.1 Ų | 125.1 | 76% | 0.757 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -95.9 | 82.2 | 168.1 | -70.4 | -86.5 | 0 | 0 | 0 | 108.6 | D177 N181 | D177-Y179 VanDerWaalsContact C-N 3.32Å; Y179-N181 VanDerWaalsContact C-N 3.28Å; Y179-N181 PolarHBondContact O-N 3.05Å |
| 180 | C | 52.4 | Low | 61.9 | Low | 104 Ų | 104 | 125 Ų | 125 | 70% | 0.703 | 67% | 0.667 | S | S | * | * | trans | -53.3 | 101.6 | 159.6 | -75.2 | 0 | 0 | 0 | 0 | 107.4 | L178 T182 | L178-C180 PolarHBondContact O-N 3.25Å; C180-T182 PolarHBondContact O-N 2.88Å | ||
| 181 | N | 50.2 | Low | 62.4 | Low | 151 Ų | 151 | 123 Ų | 123 | 81% | 0.807 | 65% | 0.646 | S | S | * | * | trans | -62.5 | 79.6 | 163.5 | -82.6 | -67.8 | 0 | 0 | 0 | 106.5 | Y179 R183 | Y179-N181 VanDerWaalsContact C-N 3.28Å; Y179-N181 PolarHBondContact O-N 3.05Å; N181-R183 VanDerWaalsContact C-N 3.3Å; N181-R183 PolarHBondContact O-N 2.9Å | ||
| 182 | T | 57 | Low | 63.3 | Low | 123 Ų | 123 | 128.4 Ų | 128.4 | 76% | 0.755 | 67% | 0.666 | S | S | * | * | trans | -56.3 | 106.7 | 163.2 | -58.8 | 0 | 0 | 0 | 0 | 103.1 | C180 R184 | C180-T182 PolarHBondContact O-N 2.88Å; T182-R184 PolarHBondContact O-N 2.99Å | ||
| 183 | R | 57.6 | Low | 64.1 | Low | 236 Ų | 236 | 128.8 Ų | 128.8 | 89% | 0.891 | 67% | 0.671 | S | S | * | * | trans | -47.3 | 113.4 | -175.4 | -72.2 | -172.8 | 174.9 | -157.4 | -0.9 | 107.4 | N181 S185 | N181-R183 VanDerWaalsContact C-N 3.3Å; N181-R183 PolarHBondContact O-N 2.9Å; R183-S185 PolarHBondContact O-N 3.34Å | ||
| 184 | R | 59.8 | Low | 65.1 | Low | 237 Ų | 237 | 127.9 Ų | 127.9 | 89% | 0.894 | 67% | 0.674 | S | S | * | * | trans | -61 | 110.8 | 179.3 | -169.6 | -179.7 | -171.5 | -169.5 | 2.9 | 106.1 | T182 I186 | T182-R184 PolarHBondContact O-N 2.99Å; R184-I186 PolarHBondContact O-N 3.39Å | ||
| 185 | S | 62 | Low | 66.6 | Low | 83 Ų | 83 | 128.1 Ų | 128.1 | 58% | 0.58 | 66% | 0.662 | S | S | * | * | trans | -61.3 | 134.7 | 171.2 | -172.2 | 0 | 0 | 0 | 0 | 108 | R183 E187 | R183-S185 PolarHBondContact O-N 3.34Å; S185-E187 WeakPolarHBondContact OG-CB 3.47Å; S185-E187 PolarHBondContact OG-N 3.01Å | ||
| 186 | I | 70.5 | Confident | 68.2 | Low | 176 Ų | 176 | 133.5 Ų | 133.5 | 90% | 0.903 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -82.3 | -12.7 | 173.8 | -58.2 | 161.5 | 0 | 0 | 0 | 109.5 | R184 | R184-I186 PolarHBondContact O-N 3.39Š|
| 187 | E | 75.4 | Confident | 70.1 | Confident | 147 Ų | 147 | 133.6 Ų | 133.6 | 69% | 0.687 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -74.2 | 139.8 | 176.4 | -163.3 | 172.4 | -173 | 0 | 0 | 111 | S185 | S185-E187 WeakPolarHBondContact OG-CB 3.47Å; S185-E187 PolarHBondContact OG-N 3.01Å |
| 188 | A | 74.5 | Confident | 71.8 | Confident | 80 Ų | 80 | 132.2 Ų | 132.2 | 66% | 0.661 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 133.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | T190 | A188-T190 PolarHBondContact O-N 3.29Š|
| 189 | P | 72.7 | Confident | 73.7 | Confident | 102 Ų | 102 | 129.4 Ų | 129.4 | 66% | 0.662 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 118.9 | 177.4 | -25.9 | 34 | 0 | 0 | 0 | 110.7 | E191 | P189-E191 PolarHBondContact O-N 3.05Š|
| 190 | T | 73.1 | Confident | 75.6 | Confident | 143 Ų | 143 | 124.8 Ų | 124.8 | 88% | 0.877 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -63.2 | -20.8 | 178.5 | -43.2 | 0 | 0 | 0 | 0 | 112.1 | A188 | A188-T190 PolarHBondContact O-N 3.29Š|
| 191 | E | 80.5 | Confident | 77.7 | Confident | 60 Ų | 60 | 120.7 Ų | 120.7 | 28% | 0.28 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -121.5 | 140.5 | -179.3 | -173.9 | -179.5 | 148 | 0 | 0 | 110 | P189 P193 R196 | P189-E191 PolarHBondContact O-N 3.05Å; E191-P193 WeakPolarHBondContact O-CD 3.36Å; E191-R196 VanDerWaalsContact CD-NE 3.28Å; E191-R196 WeakPolarHBondContact OE1-CB 3.49Å; E191-R196 WeakPolarHBondContact OE1-CD 3.25Å; E191-R196 WeakPolarHBondContact OE1-CG 3.37Å; E191-R196 PolarHBondContact OE1-N 2.68Å; E191-R196 IonicContact OE1-NE 2.74Å; E191-R196 PolarHBondContact OE1-NE 3.41Å; E191-R196 WeakPolarHBondContact OE2-CD 3.39Å; E191-R196 IonicContact OE2-CZ 3.88Å; E191-R196 IonicContact OE2-NE 3.69Å; E191-R196 PolarHBondContact OE2-NE 2.78Å; E191-R196 IonicContact OE2-NH1 3.91Å; E191-R196 IonicContact OE2-NH2 3.71Å; E191-R196 PolarHBondContact OE2-NH2 3Å |
| 192 | R | 84.2 | Confident | 79.9 | Confident | 180 Ų | 180 | 118.8 Ų | 118.8 | 68% | 0.679 | 60% | 0.598 | S | S | * | * | trans | -67.2 | 128.2 | 174 | -54.8 | -156.6 | -176.6 | 126.2 | -14.3 | 109.3 | G194 E195 | R192-G194 PolarHBondContact O-N 2.94Å; R192-E195 HydrophobicContact CB-CB 4.48Å; R192-E195 VanDerWaalsContact CB-CD 3.41Å; R192-E195 HydrophobicContact CB-CG 3.79Å; R192-E195 WeakPolarHBondContact CD-OE1 3.47Å; R192-E195 HydrophobicContact CG-CG 4.46Å; R192-E195 VanDerWaalsContact CG-OE1 3.28Å; R192-E195 WeakPolarHBondContact CG-OE1 3.48Å; R192-E195 IonicContact CZ-OE1 3.63Å; R192-E195 IonicContact NE-OE1 3.66Å; R192-E195 IonicContact NH1-OE1 2.85Å; R192-E195 PolarHBondContact NH1-OE1 3.09Å; R192-E195 PolarHBondContact O-N 3.31Å; R192-E195 VanDerWaalsContact O-N 3.09Å | ||
| 193 | P | 79.6 | Confident | 81.8 | Confident | 125 Ų | 125 | 121.7 Ų | 121.7 | 81% | 0.812 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | 118.2 | 178.8 | -27.2 | 34.9 | 0 | 0 | 0 | 111.4 | E191 | E191-P193 WeakPolarHBondContact O-CD 3.36Š|
| 194 | G | 84.2 | Confident | 83.7 | Confident | 33 Ų | 33 | 115.3 Ų | 115.3 | 34% | 0.34 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 95.5 | -5.5 | 177 | 0 | 0 | 0 | 0 | 0 | 116.3 | R192 R197 Q198 | R192-G194 PolarHBondContact O-N 2.94Å; G194-R197 PolarHBondContact O-N 2.93Å; G194-Q198 WeakPolarHBondContact O-CG 3.48Å; G194-Q198 PolarHBondContact O-N 2.99Å |
| 195 | E | 90.1 | Very high | 85.5 | Confident | 80 Ų | 80 | 108.9 Ų | 108.9 | 37% | 0.374 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63 | -47.7 | 177.6 | -88.5 | 179.2 | 177.8 | 0 | 0 | 112.4 | R192 R197 Q198 A199 | R192-E195 HydrophobicContact CB-CB 4.48Å; R192-E195 VanDerWaalsContact CB-CD 3.41Å; R192-E195 HydrophobicContact CB-CG 3.79Å; R192-E195 WeakPolarHBondContact CD-OE1 3.47Å; R192-E195 HydrophobicContact CG-CG 4.46Å; R192-E195 VanDerWaalsContact CG-OE1 3.28Å; R192-E195 WeakPolarHBondContact CG-OE1 3.48Å; R192-E195 IonicContact CZ-OE1 3.63Å; R192-E195 IonicContact NE-OE1 3.66Å; R192-E195 IonicContact NH1-OE1 2.85Å; R192-E195 PolarHBondContact NH1-OE1 3.09Å; R192-E195 PolarHBondContact O-N 3.31Å; R192-E195 VanDerWaalsContact O-N 3.09Å; E195-R197 VanDerWaalsContact C-N 3.3Å; E195-R197 PolarHBondContact O-N 3.42Å; E195-Q198 PolarHBondContact O-N 3.4Å; E195-A199 PolarHBondContact O-N 3.26Å |
| 196 | R | 90.7 | Very high | 87.1 | Confident | 174 Ų | 174 | 106.2 Ų | 106.2 | 66% | 0.657 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -54.6 | -45.9 | 172 | -90.8 | 175.1 | -155.7 | -174.5 | 18.8 | 112.5 | E191 Q198 A199 E200 | E191-R196 VanDerWaalsContact CD-NE 3.28Å; E191-R196 WeakPolarHBondContact OE1-CB 3.49Å; E191-R196 WeakPolarHBondContact OE1-CD 3.25Å; E191-R196 WeakPolarHBondContact OE1-CG 3.37Å; E191-R196 PolarHBondContact OE1-N 2.68Å; E191-R196 IonicContact OE1-NE 2.74Å; E191-R196 PolarHBondContact OE1-NE 3.41Å; E191-R196 WeakPolarHBondContact OE2-CD 3.39Å; E191-R196 IonicContact OE2-CZ 3.88Å; E191-R196 IonicContact OE2-NE 3.69Å; E191-R196 PolarHBondContact OE2-NE 2.78Å; E191-R196 IonicContact OE2-NH1 3.91Å; E191-R196 IonicContact OE2-NH2 3.71Å; E191-R196 PolarHBondContact OE2-NH2 3Å; R196-Q198 VanDerWaalsContact C-N 3.33Å; R196-Q198 PolarHBondContact O-N 3.46Å; R196-A199 PolarHBondContact O-N 3.44Å; R196-E200 WeakPolarHBondContact O-CG 3.46Å; R196-E200 PolarHBondContact O-N 3.14Å |
| 197 | R | 92.5 | Very high | 88.4 | Confident | 113 Ų | 113 | 104.9 Ų | 104.9 | 43% | 0.426 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | -179.7 | -173.5 | 179.6 | -176.5 | -98.4 | -5.6 | 111.1 | G194 E195 E200 M201 E216 | G194-R197 PolarHBondContact O-N 2.93Å; E195-R197 VanDerWaalsContact C-N 3.3Å; E195-R197 PolarHBondContact O-N 3.42Å; R197-E200 PolarHBondContact O-N 3.09Å; R197-M201 HydrophobicContact CG-CG 4.49Å; R197-M201 WeakPolarHBondContact O-CB 3.25Å; R197-M201 WeakPolarHBondContact O-CG 3.45Å; R197-M201 PolarHBondContact O-N 3.01Å; R197-E216 IonicContact CZ-OE2 2.64Å; R197-E216 IonicContact NH2-OE2 3.99Å; R197-E216 PolarHBondContact NH2-OE2 3.42Å |
| 198 | Q | 92.5 | Very high | 89.4 | Confident | 113 Ų | 113 | 101.1 Ų | 101.1 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 177.6 | -71.7 | 177.7 | 15 | 0 | 0 | 112.3 | G194 E195 R196 E200 M201 K202 | G194-Q198 WeakPolarHBondContact O-CG 3.48Å; G194-Q198 PolarHBondContact O-N 2.99Å; E195-Q198 PolarHBondContact O-N 3.4Å; R196-Q198 VanDerWaalsContact C-N 3.33Å; R196-Q198 PolarHBondContact O-N 3.46Å; Q198-E200 VanDerWaalsContact C-N 3.34Å; Q198-E200 PolarHBondContact O-N 3.31Å; Q198-M201 PolarHBondContact O-N 2.99Å; Q198-K202 PolarHBondContact O-N 2.95Å |
| 199 | A | 94.3 | Very high | 90.5 | Very high | 65 Ų | 65 | 97.8 Ų | 97.8 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E195 R196 K202 R203 | E195-A199 PolarHBondContact O-N 3.26Å; R196-A199 PolarHBondContact O-N 3.44Å; A199-K202 PolarHBondContact O-N 3.23Å; A199-R203 WeakPolarHBondContact O-CB 3.36Å; A199-R203 PolarHBondContact O-N 2.88Å |
| 200 | E | 94.8 | Very high | 91.7 | Very high | 95 Ų | 95 | 96.3 Ų | 96.3 | 44% | 0.444 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 174.4 | -72.6 | -179.2 | 167.9 | 0 | 0 | 112.4 | R196 R197 Q198 K202 R203 L204 | R196-E200 WeakPolarHBondContact O-CG 3.46Å; R196-E200 PolarHBondContact O-N 3.14Å; R197-E200 PolarHBondContact O-N 3.09Å; Q198-E200 VanDerWaalsContact C-N 3.34Å; Q198-E200 PolarHBondContact O-N 3.31Å; E200-K202 VanDerWaalsContact C-N 3.33Å; E200-K202 PolarHBondContact O-N 3Å; E200-R203 WeakPolarHBondContact O-CB 3.5Å; E200-R203 PolarHBondContact O-N 3.45Å; E200-L204 WeakPolarHBondContact O-CB 3.42Å; E200-L204 WeakPolarHBondContact O-CG 3.39Å; E200-L204 PolarHBondContact O-N 3.49Å |
| 201 | M | 96.2 | Very high | 92.9 | Very high | 19 Ų | 19 | 96.3 Ų | 96.3 | 9% | 0.094 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 173.8 | -71.5 | -67.4 | 96.4 | 0 | 0 | 111.5 | R197 Q198 R203 L204 Y205 A209 | R197-M201 HydrophobicContact CG-CG 4.49Å; R197-M201 WeakPolarHBondContact O-CB 3.25Å; R197-M201 WeakPolarHBondContact O-CG 3.45Å; R197-M201 PolarHBondContact O-N 3.01Å; Q198-M201 PolarHBondContact O-N 2.99Å; M201-R203 VanDerWaalsContact C-N 3.35Å; M201-L204 HydrophobicContact CE-CD1 4.13Å; M201-L204 PolarHBondContact O-N 3.41Å; M201-Y205 HydrophobicContact CE-CD2 3.99Å; M201-Y205 HydrophobicContact CE-CE2 3.49Å; M201-Y205 VanDerWaalsContact CE-CE2 3.49Å; M201-Y205 WeakPolarHBondContact O-CB 3.44Å; M201-Y205 PolarHBondContact O-N 3.39Å; M201-Y205 HydrophobicContact SD-CD2 3.69Å; M201-Y205 HydrophobicContact SD-CE2 3.56Å; M201-Y205 VanDerWaalsContact SD-CE2 3.56Å; M201-A209 HydrophobicContact CB-CB 4.17Å; M201-A209 WeakPolarHBondContact O-CB 3.43Å |
| 202 | K | 96.1 | Very high | 93.7 | Very high | 110 Ų | 110 | 95.7 Ų | 95.7 | 48% | 0.478 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.8 | -37.5 | 175.5 | -170 | 71.7 | -165 | 170.4 | 0 | 111.7 | Q198 A199 E200 G206 D207 | Q198-K202 PolarHBondContact O-N 2.95Å; A199-K202 PolarHBondContact O-N 3.23Å; E200-K202 VanDerWaalsContact C-N 3.33Å; E200-K202 PolarHBondContact O-N 3Å; K202-G206 WeakPolarHBondContact CD-O 3.32Å; K202-G206 PolarHBondContact NZ-O 3.38Å; K202-G206 VanDerWaalsContact O-CA 3.23Å; K202-G206 WeakPolarHBondContact O-CA 3.45Å; K202-G206 PolarHBondContact O-N 2.88Å; K202-D207 IonicContact NZ-OD1 3.26Å; K202-D207 PolarHBondContact NZ-OD1 3.44Å |
| 203 | R | 97.3 | Very high | 94.2 | Very high | 185 Ų | 185 | 90.4 Ų | 90.4 | 70% | 0.698 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.5 | -42.5 | 175.7 | -172.5 | -173.8 | 72.1 | -166.6 | -2.5 | 112.5 | A199 E200 M201 | A199-R203 WeakPolarHBondContact O-CB 3.36Å; A199-R203 PolarHBondContact O-N 2.88Å; E200-R203 WeakPolarHBondContact O-CB 3.5Å; E200-R203 PolarHBondContact O-N 3.45Å; M201-R203 VanDerWaalsContact C-N 3.35Å |
| 204 | L | 97.1 | Very high | 95.1 | Very high | 102 Ų | 102 | 87.4 Ų | 87.4 | 53% | 0.534 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -81.5 | -42.5 | -175.2 | -69.4 | 173.4 | 0 | 0 | 0 | 112.9 | E200 M201 | E200-L204 WeakPolarHBondContact O-CB 3.42Å; E200-L204 WeakPolarHBondContact O-CG 3.39Å; E200-L204 PolarHBondContact O-N 3.49Å; M201-L204 HydrophobicContact CE-CD1 4.13Å; M201-L204 PolarHBondContact O-N 3.41Å |
| 205 | Y | 97 | Very high | 95.8 | Very high | 101 Ų | 101 | 91 Ų | 91 | 40% | 0.396 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -116.2 | -2.3 | -168.1 | -55.7 | -59.7 | 0 | 0 | 0 | 113.9 | M201 D207 S208 I212 | M201-Y205 HydrophobicContact CE-CD2 3.99Å; M201-Y205 HydrophobicContact CE-CE2 3.49Å; M201-Y205 VanDerWaalsContact CE-CE2 3.49Å; M201-Y205 WeakPolarHBondContact O-CB 3.44Å; M201-Y205 PolarHBondContact O-N 3.39Å; M201-Y205 HydrophobicContact SD-CD2 3.69Å; M201-Y205 HydrophobicContact SD-CE2 3.56Å; M201-Y205 VanDerWaalsContact SD-CE2 3.56Å; Y205-D207 PolarHBondContact O-N 3.04Å; Y205-S208 WeakPolarHBondContact O-CB 3.44Å; Y205-S208 PolarHBondContact O-N 2.68Å; Y205-I212 HydrophobicContact CD1-CG1 4.39Å; Y205-I212 HydrophobicContact CD2-CB 4.39Å; Y205-I212 HydrophobicContact CD2-CG2 4.23Å; Y205-I212 HydrophobicContact CE2-CG2 3.99Å; Y205-I212 HydrophobicContact CG-CG1 4.25Å |
| 206 | G | 96.7 | Very high | 96.1 | Very high | 27 Ų | 27 | 90.3 Ų | 90.3 | 28% | 0.278 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | 56 | -123.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K202 S208 A209 | K202-G206 WeakPolarHBondContact CD-O 3.32Å; K202-G206 PolarHBondContact NZ-O 3.38Å; K202-G206 VanDerWaalsContact O-CA 3.23Å; K202-G206 WeakPolarHBondContact O-CA 3.45Å; K202-G206 PolarHBondContact O-N 2.88Å; G206-S208 VanDerWaalsContact C-N 3.27Å; G206-S208 PolarHBondContact O-N 2.92Å; G206-A209 WeakPolarHBondContact O-CB 3.35Å; G206-A209 PolarHBondContact O-N 3.05Å |
| 207 | D | 97.1 | Very high | 96.4 | Very high | 149 Ų | 149 | 84.4 Ų | 84.4 | 80% | 0.797 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -74.5 | -18.1 | 179.9 | -60.7 | -27 | 0 | 0 | 0 | 113.2 | K202 Y205 A209 | K202-D207 IonicContact NZ-OD1 3.26Å; K202-D207 PolarHBondContact NZ-OD1 3.44Å; Y205-D207 PolarHBondContact O-N 3.04Å; D207-A209 VanDerWaalsContact C-N 3.29Å; D207-A209 PolarHBondContact O-N 2.92Å |
| 208 | S | 96.9 | Very high | 96.6 | Very high | 67 Ų | 67 | 81.8 Ų | 81.8 | 47% | 0.469 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -83.2 | -3.1 | 175.4 | -63.2 | 0 | 0 | 0 | 0 | 113.5 | Y205 G206 A210 K211 I212 | Y205-S208 WeakPolarHBondContact O-CB 3.44Å; Y205-S208 PolarHBondContact O-N 2.68Å; G206-S208 VanDerWaalsContact C-N 3.27Å; G206-S208 PolarHBondContact O-N 2.92Å; S208-A210 VanDerWaalsContact C-N 3.33Å; S208-A210 PolarHBondContact O-N 3.06Å; S208-K211 WeakPolarHBondContact O-CB 3.47Å; S208-K211 PolarHBondContact O-N 3.39Å; S208-I212 WeakPolarHBondContact O-CG1 3.36Å; S208-I212 PolarHBondContact O-N 2.86Å |
| 209 | A | 97.6 | Very high | 96.8 | Very high | 10 Ų | 10 | 81 Ų | 81 | 8% | 0.083 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -53.2 | -46.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | M201 G206 D207 K211 I212 Q213 | M201-A209 HydrophobicContact CB-CB 4.17Å; M201-A209 WeakPolarHBondContact O-CB 3.43Å; G206-A209 WeakPolarHBondContact O-CB 3.35Å; G206-A209 PolarHBondContact O-N 3.05Å; D207-A209 VanDerWaalsContact C-N 3.29Å; D207-A209 PolarHBondContact O-N 2.92Å; A209-K211 VanDerWaalsContact C-N 3.32Å; A209-K211 PolarHBondContact O-N 3.3Å; A209-I212 PolarHBondContact O-N 2.91Å; A209-Q213 WeakPolarHBondContact O-CB 3.33Å; A209-Q213 PolarHBondContact O-N 2.74Å |
| 210 | A | 96.7 | Very high | 96.8 | Very high | 72 Ų | 72 | 82.8 Ų | 82.8 | 60% | 0.595 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.9 | -37.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S208 A214 | S208-A210 VanDerWaalsContact C-N 3.33Å; S208-A210 PolarHBondContact O-N 3.06Å; A210-A214 WeakPolarHBondContact O-CB 3.2Å; A210-A214 PolarHBondContact O-N 3.23Å |
| 211 | K | 98.1 | Very high | 96.8 | Very high | 142 Ų | 142 | 84 Ų | 84 | 62% | 0.617 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.9 | -46.8 | 178 | -178.4 | -178.7 | 177 | -178.2 | 0 | 111.3 | S208 A209 A214 M215 | S208-K211 WeakPolarHBondContact O-CB 3.47Å; S208-K211 PolarHBondContact O-N 3.39Å; A209-K211 VanDerWaalsContact C-N 3.32Å; A209-K211 PolarHBondContact O-N 3.3Å; K211-A214 PolarHBondContact O-N 2.95Å; K211-M215 HydrophobicContact CG-SD 4.34Å; K211-M215 WeakPolarHBondContact O-CG 3.34Å; K211-M215 PolarHBondContact O-N 3.43Å |
| 212 | I | 97.4 | Very high | 96.6 | Very high | 47 Ų | 47 | 86.1 Ų | 86.1 | 24% | 0.241 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 178.8 | -61.9 | -58.5 | 0 | 0 | 0 | 110.5 | Y205 S208 A209 A214 M215 E216 | Y205-I212 HydrophobicContact CD1-CG1 4.39Å; Y205-I212 HydrophobicContact CD2-CB 4.39Å; Y205-I212 HydrophobicContact CD2-CG2 4.23Å; Y205-I212 HydrophobicContact CE2-CG2 3.99Å; Y205-I212 HydrophobicContact CG-CG1 4.25Å; S208-I212 WeakPolarHBondContact O-CG1 3.36Å; S208-I212 PolarHBondContact O-N 2.86Å; A209-I212 PolarHBondContact O-N 2.91Å; I212-A214 VanDerWaalsContact C-N 3.28Å; I212-A214 PolarHBondContact O-N 3.19Å; I212-M215 HydrophobicContact CD1-SD 4.46Å; I212-M215 WeakPolarHBondContact O-CB 3.45Å; I212-M215 PolarHBondContact O-N 3.46Å; I212-M215 VanDerWaalsContact O-N 3.09Å; I212-E216 HydrophobicContact CG2-CG 4.33Å; I212-E216 WeakPolarHBondContact O-CG 3.33Å; I212-E216 PolarHBondContact O-N 3.38Å |
| 213 | Q | 96.3 | Very high | 96.4 | Very high | 70 Ų | 70 | 86.8 Ų | 86.8 | 33% | 0.327 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.7 | -39.1 | 177.1 | -172.9 | 176.6 | -2.4 | 0 | 0 | 112.2 | A209 A217 | A209-Q213 WeakPolarHBondContact O-CB 3.33Å; A209-Q213 PolarHBondContact O-N 2.74Å; Q213-A217 WeakPolarHBondContact O-CB 3.21Å; Q213-A217 PolarHBondContact O-N 3.21Å |
| 214 | A | 97.4 | Very high | 95.9 | Very high | 62 Ų | 62 | 81.5 Ų | 81.5 | 51% | 0.512 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | A210 K211 I212 A217 A218 | A210-A214 WeakPolarHBondContact O-CB 3.2Å; A210-A214 PolarHBondContact O-N 3.23Å; K211-A214 PolarHBondContact O-N 2.95Å; I212-A214 VanDerWaalsContact C-N 3.28Å; I212-A214 PolarHBondContact O-N 3.19Å; A214-A217 PolarHBondContact O-N 3.4Å; A214-A218 WeakPolarHBondContact O-CB 3.4Å; A214-A218 PolarHBondContact O-N 2.89Å |
| 215 | M | 98.3 | Very high | 95.5 | Very high | 108 Ų | 108 | 83 Ų | 83 | 53% | 0.532 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 175.8 | -72.2 | 174.8 | 60 | 0 | 0 | 111.8 | K211 I212 A217 A218 V219 | K211-M215 HydrophobicContact CG-SD 4.34Å; K211-M215 WeakPolarHBondContact O-CG 3.34Å; K211-M215 PolarHBondContact O-N 3.43Å; I212-M215 HydrophobicContact CD1-SD 4.46Å; I212-M215 WeakPolarHBondContact O-CB 3.45Å; I212-M215 PolarHBondContact O-N 3.46Å; I212-M215 VanDerWaalsContact O-N 3.09Å; M215-A217 VanDerWaalsContact C-N 3.34Å; M215-A217 PolarHBondContact O-N 3.33Å; M215-A218 PolarHBondContact O-N 2.87Å; M215-V219 WeakPolarHBondContact O-CG2 3.23Å; M215-V219 PolarHBondContact O-N 3.5Å |
| 216 | E | 96.6 | Very high | 94.6 | Very high | 66 Ų | 66 | 83.5 Ų | 83.5 | 31% | 0.308 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 175.6 | -71.4 | 173.4 | 176.1 | 0 | 0 | 111.4 | R197 I212 A218 V219 Q220 | R197-E216 IonicContact CZ-OE2 2.64Å; R197-E216 IonicContact NH2-OE2 3.99Å; R197-E216 PolarHBondContact NH2-OE2 3.42Å; I212-E216 HydrophobicContact CG2-CG 4.33Å; I212-E216 WeakPolarHBondContact O-CG 3.33Å; I212-E216 PolarHBondContact O-N 3.38Å; E216-A218 VanDerWaalsContact C-N 3.33Å; E216-A218 PolarHBondContact O-N 2.94Å; E216-V219 PolarHBondContact O-N 3.01Å; E216-Q220 WeakPolarHBondContact O-CB 3.48Å; E216-Q220 PolarHBondContact O-N 3.27Å |
| 217 | A | 96.7 | Very high | 93.5 | Very high | 50 Ų | 50 | 84.7 Ų | 84.7 | 41% | 0.413 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q213 A214 M215 Q220 L221 | Q213-A217 WeakPolarHBondContact O-CB 3.21Å; Q213-A217 PolarHBondContact O-N 3.21Å; A214-A217 PolarHBondContact O-N 3.4Å; M215-A217 VanDerWaalsContact C-N 3.34Å; M215-A217 PolarHBondContact O-N 3.33Å; A217-Q220 PolarHBondContact O-N 3.39Å; A217-L221 WeakPolarHBondContact O-CB 3.36Å; A217-L221 VanDerWaalsContact O-CG 3.25Å; A217-L221 WeakPolarHBondContact O-CG 3.48Å; A217-L221 PolarHBondContact O-N 3.09Å |
| 218 | A | 97.5 | Very high | 92 | Very high | 57 Ų | 57 | 82.5 Ų | 82.5 | 47% | 0.471 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | A214 M215 E216 L221 S222 | A214-A218 WeakPolarHBondContact O-CB 3.4Å; A214-A218 PolarHBondContact O-N 2.89Å; M215-A218 PolarHBondContact O-N 2.87Å; E216-A218 VanDerWaalsContact C-N 3.33Å; E216-A218 PolarHBondContact O-N 2.94Å; A218-L221 PolarHBondContact O-N 3.05Å; A218-S222 PolarHBondContact O-N 2.98Å |
| 219 | V | 96.5 | Very high | 90.6 | Very high | 98 Ų | 98 | 88.3 Ų | 88.3 | 59% | 0.594 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.4 | -45.3 | 175.3 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | M215 E216 L221 S222 F223 | M215-V219 WeakPolarHBondContact O-CG2 3.23Å; M215-V219 PolarHBondContact O-N 3.5Å; E216-V219 PolarHBondContact O-N 3.01Å; V219-L221 PolarHBondContact O-N 2.94Å; V219-S222 WeakPolarHBondContact O-CB 3.41Å; V219-S222 PolarHBondContact O-N 3.35Å; V219-S222 VanDerWaalsContact O-N 3.13Å; V219-S222 PolarHBondContact O-OG 3.42Å; V219-F223 PolarHBondContact O-N 3.28Å |
| 220 | Q | 94.9 | Very high | 89.3 | Confident | 101 Ų | 101 | 96.7 Ų | 96.7 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.8 | -46 | 176.4 | -171.1 | 63.2 | 52.5 | 0 | 0 | 111.3 | E216 A217 S222 F223 D224 | E216-Q220 WeakPolarHBondContact O-CB 3.48Å; E216-Q220 PolarHBondContact O-N 3.27Å; A217-Q220 PolarHBondContact O-N 3.39Å; Q220-S222 VanDerWaalsContact C-N 3.27Å; Q220-S222 PolarHBondContact O-N 2.87Å; Q220-F223 CarbonylContact O-C 3.58Å; Q220-F223 WeakPolarHBondContact O-CA 3.42Å; Q220-F223 WeakPolarHBondContact O-CB 3.42Å; Q220-F223 PolarHBondContact O-N 3.44Å; Q220-F223 VanDerWaalsContact O-N 3.08Å; Q220-D224 PolarHBondContact NE2-OD1 2.73Å; Q220-D224 WeakPolarHBondContact O-CB 3.44Å; Q220-D224 PolarHBondContact O-N 3.4Å |
| 221 | L | 93.7 | Very high | 88 | Confident | 120 Ų | 120 | 99.9 Ų | 99.9 | 63% | 0.628 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.1 | -36.8 | 175.4 | -74 | 170.6 | 0 | 0 | 0 | 112.5 | A217 A218 V219 F223 D224 K225 | A217-L221 WeakPolarHBondContact O-CB 3.36Å; A217-L221 VanDerWaalsContact O-CG 3.25Å; A217-L221 WeakPolarHBondContact O-CG 3.48Å; A217-L221 PolarHBondContact O-N 3.09Å; A218-L221 PolarHBondContact O-N 3.05Å; V219-L221 PolarHBondContact O-N 2.94Å; L221-F223 VanDerWaalsContact C-N 3.34Å; L221-D224 PolarHBondContact O-N 3.04Å; L221-K225 WeakPolarHBondContact O-CB 3.2Å; L221-K225 PolarHBondContact O-N 2.64Å |
| 222 | S | 92.6 | Very high | 86.5 | Confident | 65 Ų | 65 | 97.7 Ų | 97.7 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.6 | -36.3 | 176 | 79.3 | 0 | 0 | 0 | 0 | 112.3 | A218 V219 Q220 H226 | A218-S222 PolarHBondContact O-N 2.98Å; V219-S222 WeakPolarHBondContact O-CB 3.41Å; V219-S222 PolarHBondContact O-N 3.35Å; V219-S222 VanDerWaalsContact O-N 3.13Å; V219-S222 PolarHBondContact O-OG 3.42Å; Q220-S222 VanDerWaalsContact C-N 3.27Å; Q220-S222 PolarHBondContact O-N 2.87Å; S222-H226 PolarHBondContact O-CD2 2.85Å; S222-H226 VanDerWaalsContact O-CD2 3.27Å |
| 223 | F | 91.5 | Very high | 85.1 | Confident | 124 Ų | 124 | 105 Ų | 105 | 54% | 0.544 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.8 | -50.1 | 172.7 | 175.3 | -94.7 | 0 | 0 | 0 | 110.4 | V219 Q220 L221 K225 H226 C227 | V219-F223 PolarHBondContact O-N 3.28Å; Q220-F223 CarbonylContact O-C 3.58Å; Q220-F223 WeakPolarHBondContact O-CA 3.42Å; Q220-F223 WeakPolarHBondContact O-CB 3.42Å; Q220-F223 PolarHBondContact O-N 3.44Å; Q220-F223 VanDerWaalsContact O-N 3.08Å; L221-F223 VanDerWaalsContact C-N 3.34Å; F223-K225 PolarHBondContact O-N 3.26Å; F223-H226 CarbonylContact O-C 3.53Å; F223-H226 PolarHBondContact O-N 3.18Å; F223-C227 HydrophobicContact CD1-CB 3.82Å; F223-C227 HydrophobicContact CD2-CB 4.43Å; F223-C227 HydrophobicContact CE1-CB 3.41Å; F223-C227 VanDerWaalsContact CE1-CB 3.41Å; F223-C227 HydrophobicContact CE2-CB 4.07Å; F223-C227 HydrophobicContact CG-CB 4.32Å; F223-C227 HydrophobicContact CZ-CB 3.55Å; F223-C227 WeakPolarHBondContact O-CB 3.42Å; F223-C227 PolarHBondContact O-N 3.07Å |
| 224 | D | 87.5 | Confident | 83.8 | Confident | 74 Ų | 74 | 109.4 Ų | 109.4 | 40% | 0.396 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.1 | -35.3 | -179 | -65.6 | -11.5 | 0 | 0 | 0 | 112.2 | Q220 L221 H226 C227 | Q220-D224 PolarHBondContact NE2-OD1 2.73Å; Q220-D224 WeakPolarHBondContact O-CB 3.44Å; Q220-D224 PolarHBondContact O-N 3.4Å; L221-D224 PolarHBondContact O-N 3.04Å; D224-H226 PolarHBondContact O-N 3.24Å; D224-H226 VanDerWaalsContact O-N 3.15Å; D224-C227 WeakPolarHBondContact CA-SG 3.26Å |
| 225 | K | 88.3 | Confident | 82.2 | Confident | 134 Ų | 134 | 118.3 Ų | 118.3 | 58% | 0.583 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -58.4 | -27 | 174.5 | -174.1 | 179.4 | 178 | -177.2 | 0 | 113.6 | L221 F223 | L221-K225 WeakPolarHBondContact O-CB 3.2Å; L221-K225 PolarHBondContact O-N 2.64Å; F223-K225 PolarHBondContact O-N 3.26Å |
| 226 | H | 79.1 | Confident | 80.2 | Confident | 110 Ų | 110 | 116.7 Ų | 116.7 | 51% | 0.509 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -124 | -16.6 | -169.9 | -62.1 | -51.9 | 0 | 0 | 0 | 114.3 | S222 F223 D224 D228 | S222-H226 PolarHBondContact O-CD2 2.85Å; S222-H226 VanDerWaalsContact O-CD2 3.27Å; F223-H226 CarbonylContact O-C 3.53Å; F223-H226 PolarHBondContact O-N 3.18Å; D224-H226 PolarHBondContact O-N 3.24Å; D224-H226 VanDerWaalsContact O-N 3.15Å; H226-D228 VanDerWaalsContact C-N 3.33Å; H226-D228 PolarHBondContact O-N 3.11Å |
| 227 | C | 73 | Confident | 78.5 | Confident | 53 Ų | 53 | 115.8 Ų | 115.8 | 36% | 0.358 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.5 | -29.7 | -178.4 | 69.3 | 0 | 0 | 0 | 0 | 112.5 | F223 D224 | F223-C227 HydrophobicContact CD1-CB 3.82Å; F223-C227 HydrophobicContact CD2-CB 4.43Å; F223-C227 HydrophobicContact CE1-CB 3.41Å; F223-C227 VanDerWaalsContact CE1-CB 3.41Å; F223-C227 HydrophobicContact CE2-CB 4.07Å; F223-C227 HydrophobicContact CG-CB 4.32Å; F223-C227 HydrophobicContact CZ-CB 3.55Å; F223-C227 WeakPolarHBondContact O-CB 3.42Å; F223-C227 PolarHBondContact O-N 3.07Å; D224-C227 WeakPolarHBondContact CA-SG 3.26Å |
| 228 | D | 65.4 | Low | 77 | Confident | 102 Ų | 102 | 119.2 Ų | 119.2 | 55% | 0.545 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -105.1 | -0 | -173.2 | -104.2 | -18.4 | 0 | 0 | 0 | 115.1 | H226 K230 Q231 | H226-D228 VanDerWaalsContact C-N 3.33Å; H226-D228 PolarHBondContact O-N 3.11Å; D228-K230 PolarHBondContact O-N 3.09Å; D228-K230 VanDerWaalsContact O-N 3.16Å; D228-Q231 VanDerWaalsContact OD1-CG 3.3Å; D228-Q231 WeakPolarHBondContact OD1-CG 3.43Å; D228-Q231 PolarHBondContact OD1-NE2 2.88Å |
| 229 | R | 67.8 | Low | 75.1 | Confident | 190 Ų | 190 | 119.5 Ų | 119.5 | 72% | 0.717 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -66.9 | -21.1 | -175.6 | -93.9 | -177.3 | 169.8 | -174.9 | -5.1 | 114.7 | ||
| 230 | K | 70.6 | Confident | 73.3 | Confident | 186 Ų | 186 | 121.2 Ų | 121.2 | 81% | 0.809 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -115.8 | -20.4 | -173.5 | -65.5 | -172.8 | 179.2 | -177.4 | 0 | 113.8 | D228 P232 | D228-K230 PolarHBondContact O-N 3.09Å; D228-K230 VanDerWaalsContact O-N 3.16Å; K230-P232 WeakPolarHBondContact O-CA 3.1Å; K230-P232 WeakPolarHBondContact O-CD 2.93Å |
| 231 | Q | 68.9 | Low | 71.6 | Confident | 139 Ų | 139 | 125.2 Ų | 125.2 | 65% | 0.65 | 60% | 0.599 | S | S | * | * | trans | 13.1 | 62.1 | -167.7 | -73.3 | -167.1 | -5.3 | 0 | 0 | 112.3 | D228 K233 | D228-Q231 VanDerWaalsContact OD1-CG 3.3Å; D228-Q231 WeakPolarHBondContact OD1-CG 3.43Å; D228-Q231 PolarHBondContact OD1-NE2 2.88Å; Q231-K233 PolarHBondContact O-N 3.07Å | ||
| 232 | P | 67.7 | Low | 69.6 | Low | 95 Ų | 95 | 131.8 Ų | 131.8 | 62% | 0.617 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 118.6 | -170.3 | 25.6 | -31.7 | 0 | 0 | 0 | 106.6 | K230 Y234 | K230-P232 WeakPolarHBondContact O-CA 3.1Å; K230-P232 WeakPolarHBondContact O-CD 2.93Å; P232-Y234 PolarHBondContact O-N 3.1Å |
| 233 | K | 67.5 | Low | 68.5 | Low | 201 Ų | 201 | 135.1 Ų | 135.1 | 87% | 0.874 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 118.5 | 172.2 | -156.2 | 170 | -172 | 176.1 | 0 | 106.2 | Q231 W235 | Q231-K233 PolarHBondContact O-N 3.07Å; K233-W235 PolarHBondContact O-N 3.31Å |
| 234 | Y | 67.7 | Low | 67.3 | Low | 163 Ų | 163 | 135.7 Ų | 135.7 | 64% | 0.639 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 121.5 | -177 | -67.4 | -76.7 | 0 | 0 | 0 | 108.3 | P232 | P232-Y234 PolarHBondContact O-N 3.1Š|
| 235 | W | 64.6 | Low | 66.2 | Low | 248 Ų | 248 | 139.1 Ų | 139.1 | 94% | 0.939 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -57.4 | 149.8 | -170.7 | -175.2 | -111.6 | 0 | 0 | 0 | 111.7 | K233 | K233-W235 PolarHBondContact O-N 3.31Š|
| 236 | P | 56.3 | Low | 64.9 | Low | 75 Ų | 75 | 139.4 Ų | 139.4 | 49% | 0.487 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | -56.4 | 138.7 | -118.9 | 34.8 | -28.2 | 0 | 0 | 0 | 112.2 | I238 | P236-I238 HydrophobicContact CB-CG1 4.39Å; P236-I238 HydrophobicContact CG-CD1 4.34Å; P236-I238 HydrophobicContact CG-CG1 3.82Å; P236-I238 PolarHBondContact O-N 3.21Å | |
| 237 | V | 60.3 | Low | 64 | Low | 47 Ų | 47 | 141.3 Ų | 141.3 | 29% | 0.285 | 66% | 0.662 | S | S | . | * | trans | -64.6 | 83.5 | 160.2 | -173.7 | 0 | 0 | 0 | 0 | 106.9 | Y171 P239 | Y171-V237 HydrophobicContact CE2-CB 4.28Å; Y171-V237 HydrophobicContact CE2-CG1 3.63Å; Y171-V237 WeakPolarHBondContact OH-CB 3.43Å; Y171-V237 WeakPolarHBondContact OH-CG1 3.1Å; V237-P239 VanDerWaalsContact O-CD 3.23Å; V237-P239 WeakPolarHBondContact O-CD 3.28Å | ||
| 238 | I | 66.8 | Low | 63.4 | Low | 122 Ų | 122 | 147.1 Ų | 147.1 | 63% | 0.626 | 68% | 0.682 | S | S | * | * | trans | -66.5 | 116.4 | 172.9 | -59.3 | 176.6 | 0 | 0 | 0 | 105 | P236 L240 | P236-I238 HydrophobicContact CB-CG1 4.39Å; P236-I238 HydrophobicContact CG-CD1 4.34Å; P236-I238 HydrophobicContact CG-CG1 3.82Å; P236-I238 PolarHBondContact O-N 3.21Å; I238-L240 PolarHBondContact O-N 3.3Å | ||
| 239 | P | 56.4 | Low | 63.2 | Low | 63 Ų | 63 | 150.4 Ų | 150.4 | 41% | 0.409 | 69% | 0.692 | S | S | . | * | trans | -60.1 | 112.2 | 177.3 | 21.7 | -29.7 | 0 | 0 | 0 | 108.5 | Y171 V237 K241 | Y171-P239 HydrophobicContact CD2-CB 4.26Å; V237-P239 VanDerWaalsContact O-CD 3.23Å; V237-P239 WeakPolarHBondContact O-CD 3.28Å; P239-K241 PolarHBondContact O-N 3.38Å | ||
| 240 | L | 59.5 | Low | 62.9 | Low | 133 Ų | 133 | 147.3 Ų | 147.3 | 70% | 0.696 | 69% | 0.69 | S | S | * | * | trans | -69.5 | 111.7 | 168.9 | -66.3 | 176.6 | 0 | 0 | 0 | 106.6 | I238 F242 | I238-L240 PolarHBondContact O-N 3.3Å; L240-F242 HydrophobicContact CB-CD2 4.48Å; L240-F242 HydrophobicContact CB-CE2 3.96Å; L240-F242 HydrophobicContact CB-CZ 4.27Å; L240-F242 HydrophobicContact CD1-CZ 4.24Å; L240-F242 PolarHBondContact O-N 3.25Å | ||
| 241 | K | 58.8 | Low | 62.2 | Low | 185 Ų | 185 | 144.1 Ų | 144.1 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | trans | -72.3 | 114.9 | 167 | -61.6 | -173.3 | -179.8 | -175.1 | 0 | 106.7 | P239 | P239-K241 PolarHBondContact O-N 3.38Š| ||
| 242 | F | 52.2 | Low | 61.6 | Low | 258 Ų | 258 | 144.5 Ų | 144.5 | 100% | 1.132 | 68% | 0.683 | S | S | * | * | trans | -94.5 | 0 | 163.4 | -67.4 | -76.3 | 0 | 0 | 0 | 109.3 | L240 | L240-F242 HydrophobicContact CB-CD2 4.48Å; L240-F242 HydrophobicContact CB-CE2 3.96Å; L240-F242 HydrophobicContact CB-CZ 4.27Å; L240-F242 HydrophobicContact CD1-CZ 4.24Å; L240-F242 PolarHBondContact O-N 3.25Å |
Retrieved 242 of 242 residues in 432.4 ms
(Link to these results)