| 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 | 51.8 | Low | 52.9 | Low | 218 Ų | 218 | 134.3 Ų | 134.3 | 100% | 1.074 | 66% | 0.664 | S | S | * | * | 0 | -26.2 | 0 | -70.6 | 180 | 179.1 | 0 | 0 | 113.4 | |||||
| 2 | W | 48.7 | Very low | 52.6 | Low | 216 Ų | 216 | 137.5 Ų | 137.5 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -68.4 | -34.3 | 179.4 | -160.1 | -72 | 0 | 0 | 0 | 115.4 | R4 I5 | W2-R4 VanDerWaalsContact C-N 3.34Å; W2-R4 PolarHBondContact O-N 3.39Å; W2-I5 PolarHBondContact O-N 3.36Å |
| 3 | Q | 52.3 | Low | 52.7 | Low | 166 Ų | 166 | 132.9 Ų | 132.9 | 78% | 0.776 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -69 | -26.7 | -179.8 | -92.7 | 178.4 | -34.3 | 0 | 0 | 114.3 | I5 I7 | Q3-I5 VanDerWaalsContact C-N 3.34Å; Q3-I7 WeakPolarHBondContact O-CG1 3.12Å |
| 4 | R | 53.2 | Low | 52.6 | Low | 206 Ų | 206 | 133.4 Ų | 133.4 | 78% | 0.777 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -75.3 | -25.8 | 179.5 | -70.4 | -166.6 | 169 | -166.3 | -3.7 | 112.6 | W2 C8 | W2-R4 VanDerWaalsContact C-N 3.34Å; W2-R4 PolarHBondContact O-N 3.39Å; R4-C8 PolarHBondContact O-N 3.06Å; R4-C8 PolarHBondContact O-SG 2.77Å |
| 5 | I | 55.1 | Low | 52.5 | Low | 107 Ų | 107 | 135.3 Ų | 135.3 | 55% | 0.549 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -73 | -38.7 | 179.1 | -64.6 | 167.4 | 0 | 0 | 0 | 110.5 | W2 Q3 I7 C8 C9 | W2-I5 PolarHBondContact O-N 3.36Å; Q3-I5 VanDerWaalsContact C-N 3.34Å; I5-I7 PolarHBondContact O-N 3.06Å; I5-C8 PolarHBondContact O-N 2.9Å; I5-C9 PolarHBondContact O-N 2.8Å |
| 6 | Q | 53.8 | Low | 52.6 | Low | 118 Ų | 118 | 133.3 Ų | 133.3 | 55% | 0.551 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -67.7 | -34.5 | 178.9 | -68.2 | -65.3 | -21.6 | 0 | 0 | 113.1 | C9 A10 | Q6-C9 PolarHBondContact O-N 2.98Å; Q6-A10 PolarHBondContact O-N 3.16Å |
| 7 | I | 54.7 | Low | 52.8 | Low | 105 Ų | 105 | 131.2 Ų | 131.2 | 54% | 0.538 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -69.1 | -35.4 | 176.8 | -63.5 | 166.5 | 0 | 0 | 0 | 110.9 | Q3 I5 A10 L11 | Q3-I7 WeakPolarHBondContact O-CG1 3.12Å; I5-I7 PolarHBondContact O-N 3.06Å; I7-A10 PolarHBondContact O-N 3.17Å; I7-L11 HydrophobicContact CG2-CD1 4.28Å; I7-L11 WeakPolarHBondContact O-CG 3.09Å; I7-L11 PolarHBondContact O-N 2.97Å |
| 8 | C | 53.4 | Low | 52.8 | Low | 80 Ų | 80 | 128.9 Ų | 128.9 | 54% | 0.541 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -68.3 | -34.9 | 175.9 | -69.2 | 0 | 0 | 0 | 0 | 113 | R4 I5 F12 | R4-C8 PolarHBondContact O-N 3.06Å; R4-C8 PolarHBondContact O-SG 2.77Å; I5-C8 PolarHBondContact O-N 2.9Å; C8-F12 PolarHBondContact O-N 2.7Å |
| 9 | C | 54.1 | Low | 52.7 | Low | 81 Ų | 81 | 126.6 Ų | 126.6 | 55% | 0.547 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -69.5 | -35 | 176.5 | -68 | 0 | 0 | 0 | 0 | 112.6 | I5 Q6 | I5-C9 PolarHBondContact O-N 2.8Å; Q6-C9 PolarHBondContact O-N 2.98Å |
| 10 | A | 52.6 | Low | 52.7 | Low | 62 Ų | 62 | 126.6 Ų | 126.6 | 51% | 0.512 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -70.5 | -32.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q6 I7 | Q6-A10 PolarHBondContact O-N 3.16Å; I7-A10 PolarHBondContact O-N 3.17Å |
| 11 | L | 52.4 | Low | 52.7 | Low | 118 Ų | 118 | 124.8 Ų | 124.8 | 62% | 0.618 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -75.9 | -25.8 | 177.8 | -68.9 | 171.8 | 0 | 0 | 0 | 113.2 | I7 A13 | I7-L11 HydrophobicContact CG2-CD1 4.28Å; I7-L11 WeakPolarHBondContact O-CG 3.09Å; I7-L11 PolarHBondContact O-N 2.97Å; L11-A13 VanDerWaalsContact C-N 3.34Å |
| 12 | F | 49.2 | Very low | 52.9 | Low | 173 Ų | 173 | 118 Ų | 118 | 76% | 0.759 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -75.1 | -23 | 175.1 | -112.9 | -89 | 0 | 0 | 0 | 113.3 | C8 L14 | C8-F12 PolarHBondContact O-N 2.7Å; F12-L14 VanDerWaalsContact C-N 3.29Å; F12-L14 PolarHBondContact O-N 2.03Å |
| 13 | A | 53.8 | Low | 53.7 | Low | 78 Ų | 78 | 113.5 Ų | 113.5 | 65% | 0.645 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -8.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L11 | L11-A13 VanDerWaalsContact C-N 3.34Š|
| 14 | L | 51.8 | Low | 54.6 | Low | 140 Ų | 140 | 108.8 Ų | 108.8 | 73% | 0.733 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 0.5 | -179.4 | -97.9 | 93.4 | 0 | 0 | 0 | 115.2 | F12 S16 | F12-L14 VanDerWaalsContact C-N 3.29Å; F12-L14 PolarHBondContact O-N 2.03Å; L14-S16 PolarHBondContact O-N 2.7Å |
| 15 | H | 50.6 | Low | 55.8 | Low | 161 Ų | 161 | 107 Ų | 107 | 75% | 0.745 | 63% | 0.63 | S | S | * | * | trans | -82 | 64.2 | 170.2 | -67.2 | 77.8 | 0 | 0 | 0 | 109.2 | A17 | H15-A17 PolarHBondContact O-N 3.49Š| ||
| 16 | S | 53.8 | Low | 57 | Low | 104 Ų | 104 | 103 Ų | 103 | 73% | 0.727 | 61% | 0.61 | S | S | * | * | trans | -58.1 | 107.3 | 163.1 | -60.4 | 0 | 0 | 0 | 0 | 106.8 | L14 A18 | L14-S16 PolarHBondContact O-N 2.7Å; S16-A18 VanDerWaalsContact C-N 3.26Å; S16-A18 PolarHBondContact O-N 3.1Å | ||
| 17 | A | 56 | Low | 58.2 | Low | 98 Ų | 98 | 102.4 Ų | 102.4 | 81% | 0.81 | 63% | 0.625 | S | S | * | * | trans | -55.7 | 99.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | H15 A19 | H15-A17 PolarHBondContact O-N 3.49Å; A17-A19 PolarHBondContact O-N 3.05Å | ||
| 18 | A | 52.7 | Low | 59.2 | Low | 90 Ų | 90 | 103.1 Ų | 103.1 | 74% | 0.744 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 117 | 173.6 | 0 | 0 | 0 | 0 | 0 | 106 | S16 | S16-A18 VanDerWaalsContact C-N 3.26Å; S16-A18 PolarHBondContact O-N 3.1Å |
| 19 | A | 52.3 | Low | 60.4 | Low | 85 Ų | 85 | 104.9 Ų | 104.9 | 70% | 0.702 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 132.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | A17 A21 | A17-A19 PolarHBondContact O-N 3.05Å; A19-A21 PolarHBondContact O-N 2.8Å |
| 20 | P | 51 | Low | 61.7 | Low | 125 Ų | 125 | 104.5 Ų | 104.5 | 81% | 0.812 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 121.9 | -175.7 | 10.6 | -22.1 | 0 | 0 | 0 | 108.9 | H22 | P20-H22 PolarHBondContact O-N 2.83Š|
| 21 | A | 52.5 | Low | 63.2 | Low | 89 Ų | 89 | 108.9 Ų | 108.9 | 74% | 0.736 | 64% | 0.639 | S | S | * | * | trans | -60.8 | 106.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | A19 I23 | A19-A21 PolarHBondContact O-N 2.8Å; A21-I23 WeakPolarHBondContact O-CG1 3.39Å; A21-I23 PolarHBondContact O-N 2.98Å | ||
| 22 | H | 57.8 | Low | 64.8 | Low | 77 Ų | 77 | 109.9 Ų | 109.9 | 36% | 0.356 | 64% | 0.639 | S | S | . | * | trans | -64.1 | 103.8 | 176.7 | -168.3 | -78.3 | 0 | 0 | 0 | 107.4 | P20 N24 C121 | P20-H22 PolarHBondContact O-N 2.83Å; H22-N24 VanDerWaalsContact C-N 3.28Å; H22-N24 PolarHBondContact CE1-OD1 2.84Å; H22-N24 VanDerWaalsContact ND1-CG 3.28Å; H22-N24 PolarHBondContact ND1-ND2 2.83Å; H22-N24 PolarHBondContact ND1-OD1 2.84Å; H22-N24 PolarHBondContact O-N 2.78Å; H22-C121 PolarHBondContact NE2-N 2.81Å | ||
| 23 | I | 65 | Low | 66.7 | Low | 121 Ų | 121 | 105.1 Ų | 105.1 | 62% | 0.621 | 63% | 0.627 | S | S | * | * | trans | -70.9 | 88.1 | -175.4 | -57.9 | 178.9 | 0 | 0 | 0 | 108.1 | A21 R25 | A21-I23 WeakPolarHBondContact O-CG1 3.39Å; A21-I23 PolarHBondContact O-N 2.98Å; I23-R25 VanDerWaalsContact C-N 3.27Å; I23-R25 WeakPolarHBondContact CG2-O 3.26Å | ||
| 24 | N | 71.1 | Confident | 68.6 | Low | 67 Ų | 67 | 101.8 Ų | 101.8 | 36% | 0.358 | 60% | 0.6 | S | S | . | * | trans | -83.4 | -2.7 | 178.4 | -76 | -38.8 | 0 | 0 | 0 | 113.2 | H22 S33 A34 F65 | H22-N24 VanDerWaalsContact C-N 3.28Å; H22-N24 PolarHBondContact CE1-OD1 2.84Å; H22-N24 VanDerWaalsContact ND1-CG 3.28Å; H22-N24 PolarHBondContact ND1-ND2 2.83Å; H22-N24 PolarHBondContact ND1-OD1 2.84Å; H22-N24 PolarHBondContact O-N 2.78Å; N24-S33 CarbonylContact O-C 3.49Å; N24-S33 WeakPolarHBondContact O-CA 3.39Å; N24-A34 PolarHBondContact O-N 2.62Å; N24-A34 PolarHBondContact OD1-O 3.44Å; N24-F65 WeakPolarHBondContact O-CE2 3.46Å | ||
| 25 | R | 77.6 | Confident | 70.6 | Confident | 167 Ų | 167 | 99.3 Ų | 99.3 | 63% | 0.63 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -143.4 | 138.2 | -179.9 | -64.1 | -172.8 | -178.7 | 179.4 | 0.5 | 110.6 | I23 | I23-R25 VanDerWaalsContact C-N 3.27Å; I23-R25 WeakPolarHBondContact CG2-O 3.26Å |
| 26 | L | 80.3 | Confident | 72.9 | Confident | 24 Ų | 24 | 92.6 Ų | 92.6 | 13% | 0.126 | 55% | 0.551 | C | S | . | * | B | Isolated β-bridge | trans | -89.4 | 140.3 | 171.2 | -68.5 | 171.8 | 0 | 0 | 0 | 109.7 | L28 F29 F65 Y67 | L26-L28 PolarHBondContact O-N 3.04Å; L26-F29 HydrophobicContact CB-CB 4.5Å; L26-F29 HydrophobicContact CD1-CD2 4.21Å; L26-F29 CarbonylContact O-C 3.5Å; L26-F29 PolarHBondContact O-N 2.81Å; L26-F65 HydrophobicContact CD1-CB 3.85Å; L26-F65 HydrophobicContact CD1-CD1 3.6Å; L26-F65 HydrophobicContact CD1-CD2 4.09Å; L26-F65 HydrophobicContact CD1-CE1 4.14Å; L26-F65 HydrophobicContact CD1-CG 3.58Å; L26-F65 HydrophobicContact CD2-CD2 4.32Å; L26-F65 HydrophobicContact CD2-CG 4.46Å; L26-F65 HydrophobicContact CG-CB 4.25Å; L26-F65 HydrophobicContact CG-CD1 4.09Å; L26-F65 HydrophobicContact CG-CD2 3.71Å; L26-F65 HydrophobicContact CG-CE1 4.37Å; L26-F65 HydrophobicContact CG-CE2 4Å; L26-F65 HydrophobicContact CG-CG 3.76Å; L26-F65 HydrophobicContact CG-CZ 4.32Å; L26-Y67 HydrophobicContact CD1-CD1 3.93Å; L26-Y67 HydrophobicContact CD1-CE1 4.33Å; L26-Y67 HydrophobicContact CD2-CD1 4.18Å; L26-Y67 HydrophobicContact CD2-CE1 3.72Å |
| 27 | A | 79.1 | Confident | 75 | Confident | 105 Ų | 105 | 92 Ų | 92 | 87% | 0.868 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -32.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F29 | A27-F29 VanDerWaalsContact C-N 3.29Å; A27-F29 PolarHBondContact O-N 2.86Å |
| 28 | L | 75.9 | Confident | 77 | Confident | 121 Ų | 121 | 88.8 Ų | 88.8 | 63% | 0.634 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -25.2 | 176 | -71.5 | 162.9 | 0 | 0 | 0 | 113.1 | L26 | L26-L28 PolarHBondContact O-N 3.04Š|
| 29 | F | 79.5 | Confident | 79.2 | Confident | 117 Ų | 117 | 88.7 Ų | 88.7 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | B | Isolated β-bridge | trans | -140.3 | 71 | -176.3 | -59.7 | -71.1 | 0 | 0 | 0 | 110.3 | L26 A27 D31 K32 | L26-F29 HydrophobicContact CB-CB 4.5Å; L26-F29 HydrophobicContact CD1-CD2 4.21Å; L26-F29 CarbonylContact O-C 3.5Å; L26-F29 PolarHBondContact O-N 2.81Å; A27-F29 VanDerWaalsContact C-N 3.29Å; A27-F29 PolarHBondContact O-N 2.86Å; F29-D31 PolarHBondContact O-N 2.79Å; F29-K32 HydrophobicContact CB-CB 4.15Å; F29-K32 HydrophobicContact CB-CG 4.12Å; F29-K32 PolarHBondContact O-N 2.88Å; F29-K32 VanDerWaalsContact O-N 3.13Å |
| 30 | P | 81.3 | Confident | 81.4 | Confident | 72 Ų | 72 | 90.2 Ų | 90.2 | 47% | 0.468 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -23.3 | -173.8 | 27 | -35.3 | 0 | 0 | 0 | 113.2 | K32 | P30-K32 VanDerWaalsContact C-N 3.34Š|
| 31 | D | 84.3 | Confident | 83.6 | Confident | 154 Ų | 154 | 87.4 Ų | 87.4 | 82% | 0.824 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -9.7 | -179.8 | -55.6 | -38.9 | 0 | 0 | 0 | 113.3 | F29 | F29-D31 PolarHBondContact O-N 2.79Š|
| 32 | K | 84.6 | Confident | 85.8 | Confident | 139 Ų | 139 | 87.2 Ų | 87.2 | 60% | 0.604 | 46% | 0.457 | S | S | * | . | trans | -101.4 | 136.4 | 176.3 | -59 | -60.7 | -175.1 | -176.9 | 0 | 108.4 | F29 P30 F65 | F29-K32 HydrophobicContact CB-CB 4.15Å; F29-K32 HydrophobicContact CB-CG 4.12Å; F29-K32 PolarHBondContact O-N 2.88Å; F29-K32 VanDerWaalsContact O-N 3.13Å; P30-K32 VanDerWaalsContact C-N 3.34Å; K32-F65 HydrophobicContact CB-CE1 4.05Å; K32-F65 HydrophobicContact CB-CZ 4.32Å; K32-F65 WeakPolarHBondContact O-CZ 3.08Å | ||
| 33 | S | 89.7 | Confident | 87.7 | Confident | 74 Ų | 74 | 86.6 Ų | 86.6 | 52% | 0.517 | 46% | 0.455 | S | S | . | . | trans | -122.6 | 133.6 | 174.6 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | N24 | N24-S33 CarbonylContact O-C 3.49Å; N24-S33 WeakPolarHBondContact O-CA 3.39Å | ||
| 34 | A | 93.7 | Very high | 89.3 | Confident | 8 Ų | 8 | 86.7 Ų | 86.7 | 7% | 0.066 | 46% | 0.455 | C | S | . | . | trans | -77.2 | 152.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | N24 Q63 F65 | N24-A34 PolarHBondContact O-N 2.62Å; N24-A34 PolarHBondContact OD1-O 3.44Å; A34-Q63 CarbonylContact C-O 3.6Å; A34-Q63 WeakPolarHBondContact CA-O 3.33Å; A34-Q63 WeakPolarHBondContact CB-O 3.23Å; A34-F65 HydrophobicContact CB-CD2 3.65Å; A34-F65 HydrophobicContact CB-CE2 3.5Å; A34-F65 HydrophobicContact CB-CG 4.33Å; A34-F65 HydrophobicContact CB-CZ 4.06Å | ||
| 35 | W | 94.8 | Very high | 90.6 | Very high | 87 Ų | 87 | 83.9 Ų | 83.9 | 33% | 0.33 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 147.7 | 172.9 | 64.8 | -87.1 | 0 | 0 | 0 | 109.7 | E37 L61 G62 Q63 | W35-E37 HydrophobicContact CE3-CB 4.49Å; W35-E37 HydrophobicContact CE3-CG 4.07Å; W35-E37 HydrophobicContact CZ3-CB 4.43Å; W35-E37 HydrophobicContact CZ3-CG 4.41Å; W35-L61 HydrophobicContact CH2-CD2 4.2Å; W35-L61 HydrophobicContact CH2-CG 3.89Å; W35-L61 HydrophobicContact CZ3-CG 4.19Å; W35-L61 WeakPolarHBondContact CZ3-O 3.41Å; W35-G62 CarbonylContact O-C 3.57Å; W35-G62 WeakPolarHBondContact O-CA 3.42Å; W35-Q63 HydrophobicContact CZ2-CG 4.18Å; W35-Q63 PolarHBondContact N-O 3.31Å; W35-Q63 PolarHBondContact O-N 2.93Å |
| 36 | C | 97.4 | Very high | 91.5 | Very high | 20 Ų | 20 | 77.5 Ų | 77.5 | 14% | 0.135 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 125.7 | 177 | 176.7 | 0 | 0 | 0 | 0 | 109.1 | C86 S120 | C36-C86 VanDerWaalsContact CA-SG 3.54Å; C36-C86 HydrophobicContact CB-CB 3.81Å; C36-C86 WeakPolarHBondContact CB-SG 3.17Å; C36-C86 WeakPolarHBondContact SG-CA 3.39Å; C36-C86 WeakPolarHBondContact SG-CB 3.35Å; C36-C86 CovalentContact SG-SG 2.03Å; C36-C86 PolarHBondContact SG-SG 3.35Å; C36-S120 VanDerWaalsContact SG-CA 3.55Å; C36-S120 PolarHBondContact SG-N 2.83Å; C36-S120 VanDerWaalsContact SG-N 3.37Å; C36-S120 PolarHBondContact SG-O 2.92Å |
| 37 | E | 97.6 | Very high | 92.3 | Very high | 91 Ų | 91 | 80.4 Ų | 80.4 | 43% | 0.425 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 144.9 | -171.7 | -69.6 | -177.2 | -168 | 0 | 0 | 111.7 | W35 K39 L61 | W35-E37 HydrophobicContact CE3-CB 4.49Å; W35-E37 HydrophobicContact CE3-CG 4.07Å; W35-E37 HydrophobicContact CZ3-CB 4.43Å; W35-E37 HydrophobicContact CZ3-CG 4.41Å; E37-K39 HydrophobicContact CB-CD 4.45Å; E37-K39 VanDerWaalsContact OE2-CE 3.23Å; E37-K39 WeakPolarHBondContact OE2-CE 3.28Å; E37-K39 IonicContact OE2-NZ 2.97Å; E37-K39 PolarHBondContact OE2-NZ 2.78Å; E37-L61 PolarHBondContact N-O 3.47Å; E37-L61 PolarHBondContact O-N 2.92Å |
| 38 | A | 98.3 | Very high | 93.1 | Very high | 31 Ų | 31 | 81.8 Ų | 81.8 | 26% | 0.256 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 108.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | R58 C119 | A38-R58 HydrophobicContact CB-CB 4.14Å; A38-R58 HydrophobicContact CB-CG 4.46Å; A38-C119 VanDerWaalsContact CA-SG 3.56Å; A38-C119 HydrophobicContact CB-CB 4.26Å; A38-C119 VanDerWaalsContact CB-SG 3.51Å |
| 39 | K | 98.6 | Very high | 94 | Very high | 88 Ų | 88 | 78.9 Ų | 78.9 | 38% | 0.383 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 130.1 | -179.7 | -62.6 | -58.6 | -167.6 | -179.6 | 0 | 110.6 | E37 R58 A59 L61 | E37-K39 HydrophobicContact CB-CD 4.45Å; E37-K39 VanDerWaalsContact OE2-CE 3.23Å; E37-K39 WeakPolarHBondContact OE2-CE 3.28Å; E37-K39 IonicContact OE2-NZ 2.97Å; E37-K39 PolarHBondContact OE2-NZ 2.78Å; K39-R58 CarbonylContact O-C 3.58Å; K39-R58 WeakPolarHBondContact O-CA 3.45Å; K39-A59 PolarHBondContact N-O 2.03Å; K39-A59 PolarHBondContact O-N 3.37Å; K39-L61 HydrophobicContact CG-CB 3.96Å; K39-L61 HydrophobicContact CG-CD2 4.17Å |
| 40 | N | 98.4 | Very high | 94.8 | Very high | 118 Ų | 118 | 74 Ų | 74 | 63% | 0.631 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 137.2 | 177.3 | -67.9 | -17.3 | 0 | 0 | 0 | 110.9 | N57 R58 | N40-N57 CarbonylContact C-O 3.44Å; N40-N57 WeakPolarHBondContact CA-O 3.37Å; N40-R58 PolarHBondContact OD1-NE 3.46Å |
| 41 | I | 98.4 | Very high | 95.6 | Very high | 66 Ų | 66 | 76.3 Ų | 76.3 | 34% | 0.338 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 158.7 | 175.6 | 63.1 | 165.4 | 0 | 0 | 0 | 110.1 | Q56 N57 A59 | I41-Q56 CarbonylContact O-C 3.49Å; I41-Q56 WeakPolarHBondContact O-CA 3.25Å; I41-N57 HydrophobicContact CD1-CB 4.21Å; I41-N57 HydrophobicContact CG1-CB 3.88Å; I41-N57 PolarHBondContact N-O 2.82Å; I41-N57 PolarHBondContact O-N 3.09Å; I41-A59 HydrophobicContact CD1-CB 4.31Å; I41-A59 HydrophobicContact CG2-CB 3.96Å |
| 42 | T | 98.4 | Very high | 96.3 | Very high | 84 Ų | 84 | 72.7 Ų | 72.7 | 52% | 0.515 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 116.7 | 164.6 | -58.4 | 0 | 0 | 0 | 0 | 108.4 | I55 Q56 | T42-I55 CarbonylContact C-O 3.51Å; T42-I55 WeakPolarHBondContact CA-O 3.42Å; T42-Q56 PolarHBondContact OG1-NE2 3.5Å |
| 43 | Q | 98.1 | Very high | 96.9 | Very high | 65 Ų | 65 | 72.1 Ų | 72.1 | 30% | 0.304 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 134.3 | 178.3 | 178.2 | -178.9 | -3.2 | 0 | 0 | 109.4 | S54 I55 N57 | Q43-S54 WeakPolarHBondContact O-CA 3.27Å; Q43-I55 HydrophobicContact CB-CG1 4.05Å; Q43-I55 PolarHBondContact N-O 2.98Å; Q43-I55 PolarHBondContact O-N 2.83Å; Q43-N57 HydrophobicContact CB-CB 4.35Å; Q43-N57 PolarHBondContact OE1-ND2 2.66Å |
| 44 | I | 98.2 | Very high | 97.3 | Very high | 122 Ų | 122 | 72.5 Ų | 72.5 | 63% | 0.626 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 121.4 | 174.5 | -59 | 175.1 | 0 | 0 | 0 | 108.6 | P52 | I44-P52 HydrophobicContact CG2-CB 3.9Å |
| 45 | V | 98.3 | Very high | 97.5 | Very high | 8 Ų | 8 | 72.8 Ų | 72.8 | 5% | 0.048 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 116.3 | 175.6 | -174.3 | 0 | 0 | 0 | 0 | 107.8 | P52 R53 I55 V96 L98 K111 V113 | V45-P52 CarbonylContact O-C 3.5Å; V45-P52 WeakPolarHBondContact O-CA 3.2Å; V45-R53 PolarHBondContact N-O 2.87Å; V45-R53 PolarHBondContact O-N 3.4Å; V45-I55 HydrophobicContact CG2-CD1 3.79Å; V45-I55 HydrophobicContact CG2-CG1 3.99Å; V45-I55 HydrophobicContact CG2-CG2 4.32Å; V45-V96 HydrophobicContact CB-CG1 4.26Å; V45-V96 HydrophobicContact CG1-CB 4.41Å; V45-V96 HydrophobicContact CG1-CG1 4.21Å; V45-V96 HydrophobicContact CG2-CG1 4.4Å; V45-L98 HydrophobicContact CB-CD2 4.49Å; V45-L98 HydrophobicContact CG1-CD1 4.37Å; V45-L98 HydrophobicContact CG1-CD2 4.34Å; V45-K111 HydrophobicContact CG1-CB 4.03Å; V45-K111 HydrophobicContact CG1-CD 3.74Å; V45-K111 HydrophobicContact CG1-CG 4.37Å; V45-V113 HydrophobicContact CG1-CG2 4.16Å; V45-V113 HydrophobicContact CG2-CG2 3.86Å |
| 46 | G | 97.1 | Very high | 97.7 | Very high | 34 Ų | 34 | 74.2 Ų | 74.2 | 35% | 0.351 | 41% | 0.413 | S | S | . | . | trans | -124.6 | 154.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | K111 | G46-K111 VanDerWaalsContact O-CE 3.28Å; G46-K111 WeakPolarHBondContact O-CE 3.42Å; G46-K111 PolarHBondContact O-NZ 2.9Å | ||
| 47 | H | 96.9 | Very high | 97.7 | Very high | 85 Ų | 85 | 73.7 Ų | 73.7 | 39% | 0.394 | 41% | 0.409 | S | S | . | . | trans | -144.2 | 144 | 168.8 | -172.7 | 85.8 | 0 | 0 | 0 | 108.4 | G49 C50 L98 | H47-G49 PolarHBondContact O-N 3.33Å; H47-C50 HydrophobicContact CB-CB 4.18Å; H47-C50 VanDerWaalsContact CD2-SG 3.56Å; H47-C50 PolarHBondContact O-N 2.69Å; H47-L98 HydrophobicContact CB-CD1 3.64Å | ||
| 48 | T | 95.3 | Very high | 97.8 | Very high | 134 Ų | 134 | 73.7 Ų | 73.7 | 82% | 0.822 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 131.8 | -178.6 | -52.1 | 0 | 0 | 0 | 0 | 110.5 | C50 | T48-C50 PolarHBondContact O-N 2.56Š|
| 49 | G | 94.8 | Very high | 97.8 | Very high | 59 Ų | 59 | 74 Ų | 74 | 61% | 0.608 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | 0.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | H47 | H47-G49 PolarHBondContact O-N 3.33Š|
| 50 | C | 97.4 | Very high | 97.8 | Very high | 16 Ų | 16 | 71.4 Ų | 71.4 | 11% | 0.108 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -115.7 | 154.3 | 177.3 | -48.9 | 0 | 0 | 0 | 0 | 112 | H47 T48 L98 E99 C100 | H47-C50 HydrophobicContact CB-CB 4.18Å; H47-C50 VanDerWaalsContact CD2-SG 3.56Å; H47-C50 PolarHBondContact O-N 2.69Å; T48-C50 PolarHBondContact O-N 2.56Å; C50-L98 HydrophobicContact CB-CB 4.01Å; C50-E99 CarbonylContact C-O 3.44Å; C50-E99 VanDerWaalsContact CA-O 3.26Å; C50-E99 WeakPolarHBondContact CA-O 3.1Å; C50-E99 WeakPolarHBondContact CB-O 3.45Å; C50-C100 HydrophobicContact CB-CB 3.96Å; C50-C100 WeakPolarHBondContact CB-SG 3.48Å; C50-C100 WeakPolarHBondContact SG-CB 3.11Å; C50-C100 CovalentContact SG-SG 2.03Å; C50-C100 PolarHBondContact SG-SG 3.44Å |
| 51 | Q | 97.9 | Very high | 97.8 | Very high | 119 Ų | 119 | 70.3 Ų | 70.3 | 56% | 0.556 | 39% | 0.394 | S | S | * | . | trans | -71.7 | 124 | 172.7 | -66.7 | -61.1 | -31.7 | 0 | 0 | 109.7 | E99 P101 | Q51-E99 PolarHBondContact N-O 2.56Å; Q51-P101 HydrophobicContact CG-CG 4.48Å | ||
| 52 | P | 97.8 | Very high | 97.7 | Very high | 79 Ų | 79 | 68.4 Ų | 68.4 | 51% | 0.513 | 39% | 0.391 | S | S | . | . | trans | -69 | 149 | 179.4 | 28.9 | -34 | 0 | 0 | 0 | 111.2 | I44 V45 | I44-P52 HydrophobicContact CG2-CB 3.9Å; V45-P52 CarbonylContact O-C 3.5Å; V45-P52 WeakPolarHBondContact O-CA 3.2Å | ||
| 53 | R | 98.1 | Very high | 97.5 | Very high | 127 Ų | 127 | 70.8 Ų | 70.8 | 48% | 0.479 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 135 | 176.9 | -70.9 | -170.9 | 67.8 | -174.9 | -1.6 | 111.7 | V45 V96 T97 L98 | V45-R53 PolarHBondContact N-O 2.87Å; V45-R53 PolarHBondContact O-N 3.4Å; R53-V96 HydrophobicContact CB-CG1 4.39Å; R53-T97 WeakPolarHBondContact CD-O 3.46Å; R53-T97 PolarHBondContact NH1-O 2.91Å; R53-L98 HydrophobicContact CB-CD2 3.75Å; R53-L98 HydrophobicContact CG-CD2 3.65Å |
| 54 | S | 98.3 | Very high | 97.4 | Very high | 81 Ų | 81 | 69.1 Ų | 69.1 | 57% | 0.566 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 126.6 | 170.6 | -63.4 | 0 | 0 | 0 | 0 | 110.3 | Q43 | Q43-S54 WeakPolarHBondContact O-CA 3.27Å |
| 55 | I | 97.9 | Very high | 97.2 | Very high | 15 Ų | 15 | 64.7 Ų | 64.7 | 8% | 0.077 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 149.2 | 176.1 | 70.3 | 168.7 | 0 | 0 | 0 | 110.2 | T42 Q43 V45 V96 V113 | T42-I55 CarbonylContact C-O 3.51Å; T42-I55 WeakPolarHBondContact CA-O 3.42Å; Q43-I55 HydrophobicContact CB-CG1 4.05Å; Q43-I55 PolarHBondContact N-O 2.98Å; Q43-I55 PolarHBondContact O-N 2.83Å; V45-I55 HydrophobicContact CG2-CD1 3.79Å; V45-I55 HydrophobicContact CG2-CG1 3.99Å; V45-I55 HydrophobicContact CG2-CG2 4.32Å; I55-V96 HydrophobicContact CD1-CG2 4.17Å; I55-V96 HydrophobicContact CG2-CG1 4.18Å; I55-V96 HydrophobicContact CG2-CG2 4.08Å; I55-V113 HydrophobicContact CD1-CB 4.2Å; I55-V113 HydrophobicContact CD1-CG1 3.72Å; I55-V113 HydrophobicContact CD1-CG2 4.32Å |
| 56 | Q | 98.4 | Very high | 96.9 | Very high | 117 Ų | 117 | 68.4 Ų | 68.4 | 55% | 0.547 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 110.2 | 176.1 | -71.6 | -55.4 | -49.7 | 0 | 0 | 109.9 | I41 T42 R115 | I41-Q56 CarbonylContact O-C 3.49Å; I41-Q56 WeakPolarHBondContact O-CA 3.25Å; T42-Q56 PolarHBondContact OG1-NE2 3.5Å; Q56-R115 PolarHBondContact O-NH1 3.15Å; Q56-R115 PolarHBondContact O-NH2 3.22Å |
| 57 | N | 98.4 | Very high | 96.5 | Very high | 9 Ų | 9 | 70.3 Ų | 70.3 | 5% | 0.048 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | -170.9 | 175.4 | -153.6 | -12.3 | 0 | 0 | 0 | 111.1 | N40 I41 Q43 E114 R115 I116 | N40-N57 CarbonylContact C-O 3.44Å; N40-N57 WeakPolarHBondContact CA-O 3.37Å; I41-N57 HydrophobicContact CD1-CB 4.21Å; I41-N57 HydrophobicContact CG1-CB 3.88Å; I41-N57 PolarHBondContact N-O 2.82Å; I41-N57 PolarHBondContact O-N 3.09Å; Q43-N57 HydrophobicContact CB-CB 4.35Å; Q43-N57 PolarHBondContact OE1-ND2 2.66Å; N57-E114 PolarHBondContact ND2-O 3.04Å; N57-R115 WeakPolarHBondContact OD1-CA 3.19Å; N57-R115 PolarHBondContact OD1-NH1 2.82Å; N57-I116 PolarHBondContact OD1-N 2.03Å; N57-I116 VanDerWaalsContact OD1-N 3.09Å |
| 58 | R | 98.6 | Very high | 96.2 | Very high | 90 Ų | 90 | 70.7 Ų | 70.7 | 34% | 0.34 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 155.5 | 168 | -56.8 | -176.4 | 178.2 | 156.7 | 2.9 | 110.8 | A38 K39 N40 I116 L117 | A38-R58 HydrophobicContact CB-CB 4.14Å; A38-R58 HydrophobicContact CB-CG 4.46Å; K39-R58 CarbonylContact O-C 3.58Å; K39-R58 WeakPolarHBondContact O-CA 3.45Å; N40-R58 PolarHBondContact OD1-NE 3.46Å; R58-I116 HydrophobicContact CB-CB 4.08Å; R58-I116 HydrophobicContact CB-CG2 4.13Å; R58-I116 WeakPolarHBondContact CB-O 3.13Å; R58-I116 WeakPolarHBondContact CD-O 3.45Å; R58-I116 WeakPolarHBondContact CG-O 3.44Å; R58-I116 WeakPolarHBondContact O-CD1 3.46Å; R58-L117 PolarHBondContact NH1-O 2.78Å |
| 59 | A | 98.4 | Very high | 95.9 | Very high | 38 Ų | 38 | 67.5 Ų | 67.5 | 31% | 0.314 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 145.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109 | K39 I41 | K39-A59 PolarHBondContact N-O 2.03Å; K39-A59 PolarHBondContact O-N 3.37Å; I41-A59 HydrophobicContact CD1-CB 4.31Å; I41-A59 HydrophobicContact CG2-CB 3.96Å |
| 60 | C | 98.4 | Very high | 95.6 | Very high | 34 Ų | 34 | 70 Ų | 70 | 23% | 0.23 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 130.9 | 176.8 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | T87 P88 C119 | C60-T87 VanDerWaalsContact SG-C 3.53Å; C60-P88 VanDerWaalsContact SG-N 3.41Å; C60-C119 WeakPolarHBondContact CA-SG 3.45Å; C60-C119 HydrophobicContact CB-CB 3.7Å; C60-C119 WeakPolarHBondContact CB-SG 3.18Å; C60-C119 WeakPolarHBondContact SG-CB 3.31Å; C60-C119 CovalentContact SG-SG 2.03Å; C60-C119 PolarHBondContact SG-SG 3.48Å |
| 61 | L | 98.1 | Very high | 95.2 | Very high | 94 Ų | 94 | 73.7 Ų | 73.7 | 49% | 0.492 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 130.1 | 176.6 | 177.9 | 66.7 | 0 | 0 | 0 | 109.3 | W35 E37 K39 C86 | W35-L61 HydrophobicContact CH2-CD2 4.2Å; W35-L61 HydrophobicContact CH2-CG 3.89Å; W35-L61 HydrophobicContact CZ3-CG 4.19Å; W35-L61 WeakPolarHBondContact CZ3-O 3.41Å; E37-L61 PolarHBondContact N-O 3.47Å; E37-L61 PolarHBondContact O-N 2.92Å; K39-L61 HydrophobicContact CG-CB 3.96Å; K39-L61 HydrophobicContact CG-CD2 4.17Å; L61-C86 PolarHBondContact O-SG 2.74Å |
| 62 | G | 96.7 | Very high | 94.7 | Very high | 26 Ų | 26 | 72.4 Ų | 72.4 | 27% | 0.268 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.4 | 176.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | W35 | W35-G62 CarbonylContact O-C 3.57Å; W35-G62 WeakPolarHBondContact O-CA 3.42Å |
| 63 | Q | 95.3 | Very high | 94 | Very high | 134 Ų | 134 | 78.4 Ų | 78.4 | 63% | 0.626 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 111.4 | 170.2 | -65.4 | 178.7 | 6.6 | 0 | 0 | 107.8 | A34 W35 | A34-Q63 CarbonylContact C-O 3.6Å; A34-Q63 WeakPolarHBondContact CA-O 3.33Å; A34-Q63 WeakPolarHBondContact CB-O 3.23Å; W35-Q63 HydrophobicContact CZ2-CG 4.18Å; W35-Q63 PolarHBondContact N-O 3.31Å; W35-Q63 PolarHBondContact O-N 2.93Å |
| 64 | C | 95 | Very high | 93.5 | Very high | 30 Ų | 30 | 77.3 Ų | 77.3 | 20% | 0.203 | 44% | 0.436 | C | S | . | . | trans | -109.4 | 164.1 | -179 | -60 | 0 | 0 | 0 | 0 | 110.7 | D84 S85 C86 C121 | C64-D84 HydrophobicContact CB-CB 3.78Å; C64-D84 VanDerWaalsContact CB-O 3.26Å; C64-D84 WeakPolarHBondContact CB-O 3.32Å; C64-S85 VanDerWaalsContact SG-C 3.54Å; C64-C86 PolarHBondContact SG-N 3.01Å; C64-C86 VanDerWaalsContact SG-N 3.4Å; C64-C121 VanDerWaalsContact CA-SG 3.59Å; C64-C121 HydrophobicContact CB-CB 3.8Å; C64-C121 WeakPolarHBondContact CB-SG 3.23Å; C64-C121 WeakPolarHBondContact SG-CA 3.38Å; C64-C121 WeakPolarHBondContact SG-CB 3.1Å; C64-C121 CovalentContact SG-SG 2.04Å; C64-C121 PolarHBondContact SG-SG 2.94Å | ||
| 65 | F | 93.3 | Very high | 92.9 | Very high | 29 Ų | 29 | 78.9 Ų | 78.9 | 13% | 0.127 | 44% | 0.435 | C | S | . | . | trans | -83 | 142.9 | -177.1 | -69.6 | -59 | 0 | 0 | 0 | 112.5 | N24 L26 K32 A34 D84 | N24-F65 WeakPolarHBondContact O-CE2 3.46Å; L26-F65 HydrophobicContact CD1-CB 3.85Å; L26-F65 HydrophobicContact CD1-CD1 3.6Å; L26-F65 HydrophobicContact CD1-CD2 4.09Å; L26-F65 HydrophobicContact CD1-CE1 4.14Å; L26-F65 HydrophobicContact CD1-CG 3.58Å; L26-F65 HydrophobicContact CD2-CD2 4.32Å; L26-F65 HydrophobicContact CD2-CG 4.46Å; L26-F65 HydrophobicContact CG-CB 4.25Å; L26-F65 HydrophobicContact CG-CD1 4.09Å; L26-F65 HydrophobicContact CG-CD2 3.71Å; L26-F65 HydrophobicContact CG-CE1 4.37Å; L26-F65 HydrophobicContact CG-CE2 4Å; L26-F65 HydrophobicContact CG-CG 3.76Å; L26-F65 HydrophobicContact CG-CZ 4.32Å; K32-F65 HydrophobicContact CB-CE1 4.05Å; K32-F65 HydrophobicContact CB-CZ 4.32Å; K32-F65 WeakPolarHBondContact O-CZ 3.08Å; A34-F65 HydrophobicContact CB-CD2 3.65Å; A34-F65 HydrophobicContact CB-CE2 3.5Å; A34-F65 HydrophobicContact CB-CG 4.33Å; A34-F65 HydrophobicContact CB-CZ 4.06Å; F65-D84 PolarHBondContact O-N 2.67Å | ||
| 66 | S | 92.2 | Very high | 92 | Very high | 87 Ų | 87 | 83 Ų | 83 | 61% | 0.608 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 145.1 | 161 | 58 | 0 | 0 | 0 | 0 | 109 | H82 | S66-H82 CarbonylContact C-O 3.08Å; S66-H82 VanDerWaalsContact CA-O 3.26Å; S66-H82 WeakPolarHBondContact CA-O 3.12Å |
| 67 | Y | 89.9 | Confident | 91.3 | Very high | 73 Ų | 73 | 82.2 Ų | 82.2 | 29% | 0.286 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 154.1 | 176.3 | 60.9 | -92.3 | 0 | 0 | 0 | 111 | L26 V69 A81 H82 | L26-Y67 HydrophobicContact CD1-CD1 3.93Å; L26-Y67 HydrophobicContact CD1-CE1 4.33Å; L26-Y67 HydrophobicContact CD2-CD1 4.18Å; L26-Y67 HydrophobicContact CD2-CE1 3.72Å; Y67-V69 HydrophobicContact CD2-CG2 4.46Å; Y67-A81 WeakPolarHBondContact O-CA 3.42Å; Y67-H82 HydrophobicContact CD1-CB 3.9Å; Y67-H82 HydrophobicContact CD2-CB 4.23Å; Y67-H82 HydrophobicContact CE1-CB 3.42Å; Y67-H82 VanDerWaalsContact CE1-CB 3.42Å; Y67-H82 AromaticContact CE1-CD2 3.59Å; Y67-H82 AromaticContact CE1-CG 3.66Å; Y67-H82 HydrophobicContact CE2-CB 3.8Å; Y67-H82 HydrophobicContact CG-CB 4.28Å; Y67-H82 AromaticContact CZ-CG 3.88Å; Y67-H82 PolarHBondContact N-O 2.8Å; Y67-H82 PolarHBondContact O-N 3.12Å |
| 68 | S | 90.5 | Very high | 90.5 | Very high | 94 Ų | 94 | 90.3 Ų | 90.3 | 66% | 0.657 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138.7 | 169.7 | 57.9 | 0 | 0 | 0 | 0 | 108.9 | ||
| 69 | V | 88.3 | Confident | 89.8 | Confident | 66 Ų | 66 | 89.6 Ų | 89.6 | 40% | 0.4 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 126.6 | 176.2 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | Y67 L80 | Y67-V69 HydrophobicContact CD2-CG2 4.46Å; V69-L80 HydrophobicContact CB-CB 4.27Å; V69-L80 HydrophobicContact CG2-CB 4.36Å; V69-L80 HydrophobicContact CG2-CD2 3.99Å; V69-L80 HydrophobicContact CG2-CG 4.36Å; V69-L80 PolarHBondContact N-O 3.32Å |
| 70 | P | 88.9 | Confident | 89.2 | Confident | 113 Ų | 113 | 92.4 Ų | 92.4 | 73% | 0.734 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 142.3 | -179.9 | 26.3 | -33.9 | 0 | 0 | 0 | 111.3 | ||
| 71 | N | 89.4 | Confident | 88.8 | Confident | 93 Ų | 93 | 94.3 Ų | 94.3 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 149.5 | 178.2 | -65.8 | -51.8 | 0 | 0 | 0 | 111.4 | Q75 S79 | N71-Q75 PolarHBondContact OD1-NE2 2.8Å; N71-S79 WeakPolarHBondContact OD1-CA 3.41Å |
| 72 | T | 86.2 | Confident | 88.4 | Confident | 91 Ų | 91 | 92.6 Ų | 92.6 | 56% | 0.558 | 53% | 0.531 | S | S | * | . | trans | -109.6 | 154.4 | 171.7 | 55.3 | 0 | 0 | 0 | 0 | 110.4 | P74 Q75 | T72-P74 CarbonylContact O-C 3.59Å; T72-Q75 VanDerWaalsContact O-CA 3.23Å; T72-Q75 WeakPolarHBondContact O-CA 3.2Å; T72-Q75 PolarHBondContact O-N 2.78Å | ||
| 73 | F | 84.6 | Confident | 88.2 | Confident | 205 Ų | 205 | 94.1 Ų | 94.1 | 90% | 0.899 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -119.9 | 130 | 173.3 | -172.4 | -92.8 | 0 | 0 | 0 | 110.4 | ||
| 74 | P | 87.5 | Confident | 88.1 | Confident | 105 Ų | 105 | 89.3 Ų | 89.3 | 68% | 0.682 | 52% | 0.515 | S | S | * | . | S | Bend | cis | -68.1 | 145.3 | -3.8 | 30.2 | -34.9 | 0 | 0 | 0 | 111.7 | T72 S76 | T72-P74 CarbonylContact O-C 3.59Å; P74-S76 PolarHBondContact O-N 3.3Å |
| 75 | Q | 85.2 | Confident | 88.2 | Confident | 114 Ų | 114 | 89.7 Ų | 89.7 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | trans | -72.8 | 122.6 | -173.3 | -172.6 | 168 | 20.3 | 0 | 0 | 111.1 | N71 T72 T77 | N71-Q75 PolarHBondContact OD1-NE2 2.8Å; T72-Q75 VanDerWaalsContact O-CA 3.23Å; T72-Q75 WeakPolarHBondContact O-CA 3.2Å; T72-Q75 PolarHBondContact O-N 2.78Å; Q75-T77 WeakPolarHBondContact CG-O 3.34Å; Q75-T77 PolarHBondContact NE2-O 2.62Å | ||
| 76 | S | 78.7 | Confident | 88.4 | Confident | 101 Ų | 101 | 89.7 Ų | 89.7 | 71% | 0.706 | 52% | 0.522 | S | S | * | . | trans | -100.2 | -18.6 | 179.3 | 57.1 | 0 | 0 | 0 | 0 | 114 | P74 | P74-S76 PolarHBondContact O-N 3.3Š| ||
| 77 | T | 83 | Confident | 88.6 | Confident | 100 Ų | 100 | 87.4 Ų | 87.4 | 61% | 0.613 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -140.7 | 156.5 | -179.5 | 62 | 0 | 0 | 0 | 0 | 111.3 | Q75 | Q75-T77 WeakPolarHBondContact CG-O 3.34Å; Q75-T77 PolarHBondContact NE2-O 2.62Å |
| 78 | E | 83 | Confident | 88.9 | Confident | 179 Ų | 179 | 86.6 Ų | 86.6 | 84% | 0.836 | 51% | 0.508 | S | S | * | . | trans | -57.9 | 152.6 | 170.9 | -64.5 | -168.9 | 162.3 | 0 | 0 | 111.5 | L80 | E78-L80 PolarHBondContact O-N 2.83Š| ||
| 79 | S | 82.7 | Confident | 89.2 | Confident | 76 Ų | 76 | 84.6 Ų | 84.6 | 53% | 0.531 | 50% | 0.497 | S | S | . | . | trans | -62.4 | 116.2 | 176.9 | 179.5 | 0 | 0 | 0 | 0 | 110 | N71 | N71-S79 WeakPolarHBondContact OD1-CA 3.41Š| ||
| 80 | L | 86.1 | Confident | 89.6 | Confident | 96 Ų | 96 | 86.1 Ų | 86.1 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | trans | -95.5 | 110.3 | -177.4 | -176.4 | 65.3 | 0 | 0 | 0 | 110.9 | V69 E78 | V69-L80 HydrophobicContact CB-CB 4.27Å; V69-L80 HydrophobicContact CG2-CB 4.36Å; V69-L80 HydrophobicContact CG2-CD2 3.99Å; V69-L80 HydrophobicContact CG2-CG 4.36Å; V69-L80 PolarHBondContact N-O 3.32Å; E78-L80 PolarHBondContact O-N 2.83Å | ||
| 81 | A | 89.8 | Confident | 90 | Very high | 75 Ų | 75 | 83.3 Ų | 83.3 | 62% | 0.62 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 136.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y67 | Y67-A81 WeakPolarHBondContact O-CA 3.42Å |
| 82 | H | 90.1 | Very high | 90.4 | Very high | 58 Ų | 58 | 84.4 Ų | 84.4 | 27% | 0.269 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 142.4 | 179.7 | -176.3 | 74.2 | 0 | 0 | 0 | 110.1 | S66 Y67 D84 | S66-H82 CarbonylContact C-O 3.08Å; S66-H82 VanDerWaalsContact CA-O 3.26Å; S66-H82 WeakPolarHBondContact CA-O 3.12Å; Y67-H82 HydrophobicContact CD1-CB 3.9Å; Y67-H82 HydrophobicContact CD2-CB 4.23Å; Y67-H82 HydrophobicContact CE1-CB 3.42Å; Y67-H82 VanDerWaalsContact CE1-CB 3.42Å; Y67-H82 AromaticContact CE1-CD2 3.59Å; Y67-H82 AromaticContact CE1-CG 3.66Å; Y67-H82 HydrophobicContact CE2-CB 3.8Å; Y67-H82 HydrophobicContact CG-CB 4.28Å; Y67-H82 AromaticContact CZ-CG 3.88Å; Y67-H82 PolarHBondContact N-O 2.8Å; Y67-H82 PolarHBondContact O-N 3.12Å; H82-D84 IonicContact CD2-OD2 3.5Å; H82-D84 IonicContact CE1-OD1 3.41Å; H82-D84 PolarHBondContact CE1-OD1 3.49Å; H82-D84 IonicContact CE1-OD2 3.67Å; H82-D84 IonicContact NE2-OD1 2.81Å; H82-D84 PolarHBondContact NE2-OD1 2.95Å; H82-D84 IonicContact NE2-OD2 3.83Å; H82-D84 PolarHBondContact NE2-OD2 2.04Å |
| 83 | C | 92.7 | Very high | 91 | Very high | 57 Ų | 57 | 87.6 Ų | 87.6 | 39% | 0.385 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 125 | 177.9 | -176.8 | 0 | 0 | 0 | 0 | 109 | S123 C124 | C83-S123 CarbonylContact O-C 3.6Å; C83-S123 VanDerWaalsContact O-CA 3.31Å; C83-S123 WeakPolarHBondContact O-CA 3.1Å; C83-C124 HydrophobicContact CB-CB 3.68Å; C83-C124 WeakPolarHBondContact CB-SG 3.44Å; C83-C124 PolarHBondContact O-N 3.35Å; C83-C124 PolarHBondContact O-SG 3.34Å; C83-C124 VanDerWaalsContact O-SG 3.35Å; C83-C124 WeakPolarHBondContact SG-CB 3.23Å; C83-C124 CovalentContact SG-SG 2.04Å; C83-C124 PolarHBondContact SG-SG 3.01Å |
| 84 | D | 94 | Very high | 91.6 | Very high | 33 Ų | 33 | 81.6 Ų | 81.6 | 18% | 0.176 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 148 | 165.8 | -64.5 | -37.5 | 0 | 0 | 0 | 110.9 | C64 F65 H82 C121 Q122 S123 C124 | C64-D84 HydrophobicContact CB-CB 3.78Å; C64-D84 VanDerWaalsContact CB-O 3.26Å; C64-D84 WeakPolarHBondContact CB-O 3.32Å; F65-D84 PolarHBondContact O-N 2.67Å; H82-D84 IonicContact CD2-OD2 3.5Å; H82-D84 IonicContact CE1-OD1 3.41Å; H82-D84 PolarHBondContact CE1-OD1 3.49Å; H82-D84 IonicContact CE1-OD2 3.67Å; H82-D84 IonicContact NE2-OD1 2.81Å; H82-D84 PolarHBondContact NE2-OD1 2.95Å; H82-D84 IonicContact NE2-OD2 3.83Å; H82-D84 PolarHBondContact NE2-OD2 2.04Å; D84-C121 HydrophobicContact CB-CB 4.17Å; D84-Q122 CarbonylContact C-O 3.54Å; D84-Q122 WeakPolarHBondContact CA-O 3.04Å; D84-S123 WeakPolarHBondContact OD1-CA 3.05Å; D84-S123 PolarHBondContact OD1-N 2.85Å; D84-C124 PolarHBondContact N-SG 2.82Å |
| 85 | S | 95.5 | Very high | 92.1 | Very high | 39 Ų | 39 | 80.5 Ų | 80.5 | 27% | 0.273 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 150.5 | 175.2 | 61.5 | 0 | 0 | 0 | 0 | 110.5 | C64 T87 Q122 | C64-S85 VanDerWaalsContact SG-C 3.54Å; S85-T87 PolarHBondContact O-N 3.12Å; S85-T87 WeakPolarHBondContact OG-CG2 3.2Å; S85-Q122 PolarHBondContact N-O 2.82Å; S85-Q122 PolarHBondContact O-N 2.89Å |
| 86 | C | 97.2 | Very high | 92.7 | Very high | 28 Ų | 28 | 75.2 Ų | 75.2 | 19% | 0.189 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 100.7 | 179.8 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | C36 L61 C64 | C36-C86 VanDerWaalsContact CA-SG 3.54Å; C36-C86 HydrophobicContact CB-CB 3.81Å; C36-C86 WeakPolarHBondContact CB-SG 3.17Å; C36-C86 WeakPolarHBondContact SG-CA 3.39Å; C36-C86 WeakPolarHBondContact SG-CB 3.35Å; C36-C86 CovalentContact SG-SG 2.03Å; C36-C86 PolarHBondContact SG-SG 3.35Å; L61-C86 PolarHBondContact O-SG 2.74Å; C64-C86 PolarHBondContact SG-N 3.01Å; C64-C86 VanDerWaalsContact SG-N 3.4Å |
| 87 | T | 96.6 | Very high | 93.7 | Very high | 40 Ų | 40 | 72.4 Ų | 72.4 | 25% | 0.245 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 163.7 | -172.2 | 56.7 | 0 | 0 | 0 | 0 | 111.6 | C60 S85 A89 C119 S120 Q122 | C60-T87 VanDerWaalsContact SG-C 3.53Å; S85-T87 PolarHBondContact O-N 3.12Å; S85-T87 WeakPolarHBondContact OG-CG2 3.2Å; T87-A89 PolarHBondContact O-N 2.85Å; T87-C119 WeakPolarHBondContact O-CA 3.26Å; T87-S120 PolarHBondContact N-O 3.23Å; T87-S120 PolarHBondContact O-N 2.98Å; T87-S120 VanDerWaalsContact O-N 3.12Å; T87-Q122 PolarHBondContact O-NE2 3.41Å; T87-Q122 PolarHBondContact OG1-NE2 3.17Å; T87-Q122 VanDerWaalsContact OG1-NE2 3.12Å |
| 88 | P | 97.4 | Very high | 94.4 | Very high | 56 Ų | 56 | 67.7 Ų | 67.7 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 124.7 | 175.8 | -23.8 | 34.7 | 0 | 0 | 0 | 111.5 | C60 T91 I116 Q122 | C60-P88 VanDerWaalsContact SG-N 3.41Å; P88-T91 HydrophobicContact CB-CG2 3.57Å; P88-T91 HydrophobicContact CG-CG2 4.48Å; P88-I116 HydrophobicContact CB-CD1 4.45Å; P88-I116 HydrophobicContact CB-CG1 4.22Å; P88-I116 HydrophobicContact CB-CG2 4.4Å; P88-I116 HydrophobicContact CG-CD1 3.76Å; P88-I116 HydrophobicContact CG-CG1 4.05Å; P88-Q122 PolarHBondContact O-NE2 3.03Å |
| 89 | A | 96 | Very high | 95.1 | Very high | 51 Ų | 51 | 63.1 Ų | 63.1 | 42% | 0.421 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -27.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T87 H118 S120 | T87-A89 PolarHBondContact O-N 2.85Å; A89-H118 HydrophobicContact CB-CB 4.32Å; A89-H118 PolarHBondContact N-O 3.19Å; A89-S120 WeakPolarHBondContact CB-OG 3.48Å |
| 90 | Q | 97.3 | Very high | 95.8 | Very high | 99 Ų | 99 | 59.6 Ų | 59.6 | 46% | 0.463 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 129.4 | 174.6 | -170.2 | -178.9 | 14.9 | 0 | 0 | 109.1 | L117 H118 | Q90-L117 HydrophobicContact CB-CB 4.26Å; Q90-L117 HydrophobicContact CG-CB 4.34Å; Q90-L117 HydrophobicContact CG-CD1 4.1Å; Q90-L117 PolarHBondContact O-N 3.13Å; Q90-H118 HydrophobicContact CB-CB 4.32Å; Q90-H118 PolarHBondContact N-O 3.41Å; Q90-H118 PolarHBondContact O-N 3.2Å; Q90-H118 PolarHBondContact OE1-CD2 3.3Å |
| 91 | T | 97.9 | Very high | 96.2 | Very high | 53 Ų | 53 | 59.7 Ų | 59.7 | 33% | 0.325 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 160.6 | 174.5 | 66.6 | 0 | 0 | 0 | 0 | 111.5 | P88 E114 R115 I116 | P88-T91 HydrophobicContact CB-CG2 3.57Å; P88-T91 HydrophobicContact CG-CG2 4.48Å; T91-E114 VanDerWaalsContact CB-OE1 3.26Å; T91-E114 WeakPolarHBondContact CB-OE1 3.26Å; T91-E114 HydrophobicContact CG2-CG 4.12Å; T91-E114 WeakPolarHBondContact CG2-OE1 3.46Å; T91-E114 PolarHBondContact OG1-OE1 2.64Å; T91-R115 CarbonylContact C-O 3.43Å; T91-R115 WeakPolarHBondContact CA-O 3.46Å; T91-I116 HydrophobicContact CG2-CG1 4.23Å |
| 92 | Q | 97.6 | Very high | 96.1 | Very high | 117 Ų | 117 | 59.7 Ų | 59.7 | 55% | 0.547 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 145.3 | 175 | 178.5 | 176.8 | 12.3 | 0 | 0 | 109.2 | R115 L117 | Q92-R115 HydrophobicContact CB-CB 4.46Å; Q92-R115 PolarHBondContact N-O 2.86Å; Q92-R115 WeakPolarHBondContact O-CA 3.44Å; Q92-R115 WeakPolarHBondContact O-CB 3.04Å; Q92-R115 WeakPolarHBondContact O-CG 3.34Å; Q92-R115 PolarHBondContact O-N 2.89Å; Q92-L117 HydrophobicContact CB-CD1 4.17Å; Q92-L117 HydrophobicContact CB-CG 4.49Å |
| 93 | W | 98.1 | Very high | 96.1 | Very high | 157 Ų | 157 | 58.6 Ų | 58.6 | 60% | 0.595 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 131.2 | 170.8 | -68 | 101.2 | 0 | 0 | 0 | 110.9 | L112 E114 | W93-L112 HydrophobicContact CB-CD2 4.42Å; W93-L112 HydrophobicContact CE3-CB 3.96Å; W93-L112 HydrophobicContact CZ3-CB 4.29Å; W93-E114 HydrophobicContact CE3-CB 4.15Å; W93-E114 HydrophobicContact CH2-CB 3.97Å; W93-E114 HydrophobicContact CZ2-CB 4.44Å; W93-E114 HydrophobicContact CZ3-CB 3.81Å |
| 94 | E | 97.4 | Very high | 95.8 | Very high | 80 Ų | 80 | 64.6 Ų | 64.6 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 136.7 | 174.7 | -179.6 | 179.6 | 156.2 | 0 | 0 | 109.8 | V113 R115 | E94-V113 PolarHBondContact N-O 2.63Å; E94-V113 PolarHBondContact O-N 3.24Å; E94-R115 HydrophobicContact CB-CG 3.48Å; E94-R115 VanDerWaalsContact CB-CG 3.48Å; E94-R115 VanDerWaalsContact OE2-CD 3.23Å; E94-R115 WeakPolarHBondContact OE2-CD 3.36Å; E94-R115 IonicContact OE2-CZ 3.5Å; E94-R115 IonicContact OE2-NE 3.16Å; E94-R115 PolarHBondContact OE2-NE 2.82Å; E94-R115 IonicContact OE2-NH2 3.75Å |
| 95 | V | 98.2 | Very high | 95.5 | Very high | 81 Ų | 81 | 70.9 Ų | 70.9 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 122.7 | 174.4 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | D110 K111 L112 | V95-D110 HydrophobicContact CG1-CB 3.77Å; V95-K111 CarbonylContact C-O 3.6Å; V95-K111 WeakPolarHBondContact CA-O 3.33Å; V95-L112 HydrophobicContact CG2-CD2 3.68Å |
| 96 | V | 98.2 | Very high | 95.2 | Very high | 4 Ų | 4 | 71.9 Ų | 71.9 | 2% | 0.024 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 108.5 | 175.1 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | V45 R53 I55 L98 K111 V113 | V45-V96 HydrophobicContact CB-CG1 4.26Å; V45-V96 HydrophobicContact CG1-CB 4.41Å; V45-V96 HydrophobicContact CG1-CG1 4.21Å; V45-V96 HydrophobicContact CG2-CG1 4.4Å; R53-V96 HydrophobicContact CB-CG1 4.39Å; I55-V96 HydrophobicContact CD1-CG2 4.17Å; I55-V96 HydrophobicContact CG2-CG1 4.18Å; I55-V96 HydrophobicContact CG2-CG2 4.08Å; V96-L98 HydrophobicContact CG1-CD2 4.13Å; V96-K111 PolarHBondContact N-O 3.34Å; V96-K111 PolarHBondContact O-N 3.18Å; V96-V113 HydrophobicContact CB-CG2 4.29Å; V96-V113 HydrophobicContact CG2-CB 4.36Å; V96-V113 HydrophobicContact CG2-CG2 3.78Å |
| 97 | T | 98.1 | Very high | 95 | Very high | 42 Ų | 42 | 74 Ų | 74 | 26% | 0.258 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 126.3 | 174.1 | -48.9 | 0 | 0 | 0 | 0 | 110.7 | R53 R108 D110 | R53-T97 WeakPolarHBondContact CD-O 3.46Å; R53-T97 PolarHBondContact NH1-O 2.91Å; T97-R108 HydrophobicContact CG2-CB 4.03Å; T97-R108 HydrophobicContact CG2-CG 4.24Å; T97-D110 WeakPolarHBondContact CA-OD1 3.21Å; T97-D110 WeakPolarHBondContact CB-OD1 3.07Å; T97-D110 VanDerWaalsContact CG2-OD1 3.27Å; T97-D110 WeakPolarHBondContact CG2-OD1 3.32Å; T97-D110 PolarHBondContact OG1-OD1 3.41Å |
| 98 | L | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 143.4 | 173.8 | -54.7 | -179.7 | 0 | 0 | 0 | 109.9 | V45 H47 C50 R53 V96 R108 V109 K111 | V45-L98 HydrophobicContact CB-CD2 4.49Å; V45-L98 HydrophobicContact CG1-CD1 4.37Å; V45-L98 HydrophobicContact CG1-CD2 4.34Å; H47-L98 HydrophobicContact CB-CD1 3.64Å; C50-L98 HydrophobicContact CB-CB 4.01Å; R53-L98 HydrophobicContact CB-CD2 3.75Å; R53-L98 HydrophobicContact CG-CD2 3.65Å; V96-L98 HydrophobicContact CG1-CD2 4.13Å; L98-R108 VanDerWaalsContact O-CA 3.25Å; L98-R108 WeakPolarHBondContact O-CA 3.14Å; L98-V109 PolarHBondContact N-O 2.04Å; L98-V109 PolarHBondContact O-N 2.65Å; L98-K111 HydrophobicContact CD1-CD 4.31Å |
| 99 | E | 97.9 | Very high | 95 | Very high | 83 Ų | 83 | 78.4 Ų | 78.4 | 39% | 0.388 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 135.3 | 176.6 | -57.8 | -64.2 | 131.8 | 0 | 0 | 110.5 | C50 Q51 P101 R108 | C50-E99 CarbonylContact C-O 3.44Å; C50-E99 VanDerWaalsContact CA-O 3.26Å; C50-E99 WeakPolarHBondContact CA-O 3.1Å; C50-E99 WeakPolarHBondContact CB-O 3.45Å; Q51-E99 PolarHBondContact N-O 2.56Å; E99-P101 WeakPolarHBondContact O-CD 3.07Å; E99-R108 VanDerWaalsContact CD-NE 3.28Å; E99-R108 WeakPolarHBondContact OE1-CD 3.34Å; E99-R108 IonicContact OE1-CZ 2.78Å; E99-R108 IonicContact OE1-NE 3.78Å; E99-R108 PolarHBondContact OE1-NE 3.1Å; E99-R108 IonicContact OE1-NH2 3.19Å; E99-R108 IonicContact OE2-CZ 2.69Å; E99-R108 IonicContact OE2-NE 3.91Å; E99-R108 PolarHBondContact OE2-NE 3.46Å; E99-R108 IonicContact OE2-NH2 2.56Å; E99-R108 PolarHBondContact OE2-NH2 3.12Å; E99-R108 VanDerWaalsContact OE2-NH2 3.16Å |
| 100 | C | 97 | Very high | 95.1 | Very high | 3 Ų | 3 | 80.8 Ų | 80.8 | 2% | 0.02 | 43% | 0.433 | C | S | . | . | trans | -125.2 | 76 | -171.2 | -45.6 | 0 | 0 | 0 | 0 | 110.4 | C50 G102 S103 P107 | C50-C100 HydrophobicContact CB-CB 3.96Å; C50-C100 WeakPolarHBondContact CB-SG 3.48Å; C50-C100 WeakPolarHBondContact SG-CB 3.11Å; C50-C100 CovalentContact SG-SG 2.03Å; C50-C100 PolarHBondContact SG-SG 3.44Å; C100-G102 PolarHBondContact O-N 2.79Å; C100-S103 PolarHBondContact O-N 3.34Å; C100-S103 VanDerWaalsContact O-N 3.17Å; C100-P107 PolarHBondContact N-O 2.93Å | ||
| 101 | P | 94.4 | Very high | 95.1 | Very high | 97 Ų | 97 | 79.5 Ų | 79.5 | 63% | 0.63 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -11.5 | -170.5 | 28.3 | -36.2 | 0 | 0 | 0 | 114.4 | Q51 E99 | Q51-P101 HydrophobicContact CG-CG 4.48Å; E99-P101 WeakPolarHBondContact O-CD 3.07Å |
| 102 | G | 89.1 | Confident | 95.1 | Very high | 76 Ų | 76 | 82.7 Ų | 82.7 | 78% | 0.784 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 1.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | C100 | C100-G102 PolarHBondContact O-N 2.79Š|
| 103 | S | 88.9 | Confident | 95.2 | Very high | 35 Ų | 35 | 77.7 Ų | 77.7 | 25% | 0.245 | 42% | 0.418 | C | S | . | . | trans | -122.5 | 114.9 | -179 | -176.7 | 0 | 0 | 0 | 0 | 110.4 | C100 S106 | C100-S103 PolarHBondContact O-N 3.34Å; C100-S103 VanDerWaalsContact O-N 3.17Å; S103-S106 WeakPolarHBondContact CB-O 3.26Å; S103-S106 PolarHBondContact OG-N 3.25Å; S103-S106 PolarHBondContact OG-O 3.33Å; S103-S106 PolarHBondContact OG-OG 3.03Å | ||
| 104 | E | 86.8 | Confident | 95.2 | Very high | 182 Ų | 182 | 74.3 Ų | 74.3 | 85% | 0.85 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -72.8 | -38.2 | 175 | -71.1 | -71.4 | 124.9 | 0 | 0 | 111.4 | ||
| 105 | D | 87.9 | Confident | 95.2 | Very high | 166 Ų | 166 | 72.3 Ų | 72.3 | 89% | 0.888 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -78.4 | -28.1 | -178.3 | -63.9 | -41.4 | 0 | 0 | 0 | 112.9 | ||
| 106 | S | 88.9 | Confident | 95.2 | Very high | 60 Ų | 60 | 69.9 Ų | 69.9 | 42% | 0.42 | 38% | 0.382 | S | S | . | . | trans | -135.6 | 72 | -178.1 | 58.7 | 0 | 0 | 0 | 0 | 111.9 | S103 R108 | S103-S106 WeakPolarHBondContact CB-O 3.26Å; S103-S106 PolarHBondContact OG-N 3.25Å; S103-S106 PolarHBondContact OG-O 3.33Å; S103-S106 PolarHBondContact OG-OG 3.03Å; S106-R108 PolarHBondContact O-N 2.89Å; S106-R108 VanDerWaalsContact O-N 3.1Å | ||
| 107 | P | 93.3 | Very high | 95.2 | Very high | 71 Ų | 71 | 71.8 Ų | 71.8 | 46% | 0.461 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -69.8 | -9.3 | -176.4 | 28.6 | -36.2 | 0 | 0 | 0 | 113.5 | C100 | C100-P107 PolarHBondContact N-O 2.93Š|
| 108 | R | 96.6 | Very high | 95.2 | Very high | 156 Ų | 156 | 74.8 Ų | 74.8 | 59% | 0.589 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 147.7 | 178.6 | -65.9 | -176.3 | 174.1 | 115.1 | 16.4 | 111.8 | T97 L98 E99 S106 | T97-R108 HydrophobicContact CG2-CB 4.03Å; T97-R108 HydrophobicContact CG2-CG 4.24Å; L98-R108 VanDerWaalsContact O-CA 3.25Å; L98-R108 WeakPolarHBondContact O-CA 3.14Å; E99-R108 VanDerWaalsContact CD-NE 3.28Å; E99-R108 WeakPolarHBondContact OE1-CD 3.34Å; E99-R108 IonicContact OE1-CZ 2.78Å; E99-R108 IonicContact OE1-NE 3.78Å; E99-R108 PolarHBondContact OE1-NE 3.1Å; E99-R108 IonicContact OE1-NH2 3.19Å; E99-R108 IonicContact OE2-CZ 2.69Å; E99-R108 IonicContact OE2-NE 3.91Å; E99-R108 PolarHBondContact OE2-NE 3.46Å; E99-R108 IonicContact OE2-NH2 2.56Å; E99-R108 PolarHBondContact OE2-NH2 3.12Å; E99-R108 VanDerWaalsContact OE2-NH2 3.16Å; S106-R108 PolarHBondContact O-N 2.89Å; S106-R108 VanDerWaalsContact O-N 3.1Å |
| 109 | V | 97.4 | Very high | 95.1 | Very high | 33 Ų | 33 | 75.6 Ų | 75.6 | 20% | 0.2 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 126.9 | 172.8 | 172.6 | 0 | 0 | 0 | 0 | 109.6 | L98 | L98-V109 PolarHBondContact N-O 2.04Å; L98-V109 PolarHBondContact O-N 2.65Å |
| 110 | D | 97.9 | Very high | 95 | Very high | 102 Ų | 102 | 72.7 Ų | 72.7 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 134.3 | 173.6 | -74.3 | -17.1 | 0 | 0 | 0 | 110.8 | V95 T97 | V95-D110 HydrophobicContact CG1-CB 3.77Å; T97-D110 WeakPolarHBondContact CA-OD1 3.21Å; T97-D110 WeakPolarHBondContact CB-OD1 3.07Å; T97-D110 VanDerWaalsContact CG2-OD1 3.27Å; T97-D110 WeakPolarHBondContact CG2-OD1 3.32Å; T97-D110 PolarHBondContact OG1-OD1 3.41Å |
| 111 | K | 97.7 | Very high | 95 | Very high | 72 Ų | 72 | 73.5 Ų | 73.5 | 31% | 0.313 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 131.1 | 171.7 | -74.9 | -159.2 | 159.4 | -163.8 | 0 | 111 | V45 G46 V95 V96 L98 | V45-K111 HydrophobicContact CG1-CB 4.03Å; V45-K111 HydrophobicContact CG1-CD 3.74Å; V45-K111 HydrophobicContact CG1-CG 4.37Å; G46-K111 VanDerWaalsContact O-CE 3.28Å; G46-K111 WeakPolarHBondContact O-CE 3.42Å; G46-K111 PolarHBondContact O-NZ 2.9Å; V95-K111 CarbonylContact C-O 3.6Å; V95-K111 WeakPolarHBondContact CA-O 3.33Å; V96-K111 PolarHBondContact N-O 3.34Å; V96-K111 PolarHBondContact O-N 3.18Å; L98-K111 HydrophobicContact CD1-CD 4.31Å |
| 112 | L | 98.1 | Very high | 94.9 | Very high | 120 Ų | 120 | 72.3 Ų | 72.3 | 63% | 0.628 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 123.5 | 166.3 | -72.5 | 169.5 | 0 | 0 | 0 | 109.2 | W93 V95 | W93-L112 HydrophobicContact CB-CD2 4.42Å; W93-L112 HydrophobicContact CE3-CB 3.96Å; W93-L112 HydrophobicContact CZ3-CB 4.29Å; V95-L112 HydrophobicContact CG2-CD2 3.68Å |
| 113 | V | 98.3 | Very high | 95.1 | Very high | 11 Ų | 11 | 72.9 Ų | 72.9 | 7% | 0.067 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129.2 | 176.8 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | V45 I55 E94 V96 | V45-V113 HydrophobicContact CG1-CG2 4.16Å; V45-V113 HydrophobicContact CG2-CG2 3.86Å; I55-V113 HydrophobicContact CD1-CB 4.2Å; I55-V113 HydrophobicContact CD1-CG1 3.72Å; I55-V113 HydrophobicContact CD1-CG2 4.32Å; E94-V113 PolarHBondContact N-O 2.63Å; E94-V113 PolarHBondContact O-N 3.24Å; V96-V113 HydrophobicContact CB-CG2 4.29Å; V96-V113 HydrophobicContact CG2-CB 4.36Å; V96-V113 HydrophobicContact CG2-CG2 3.78Å |
| 114 | E | 98.2 | Very high | 95.3 | Very high | 86 Ų | 86 | 73 Ų | 73 | 40% | 0.402 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 128.2 | 172.9 | -171.6 | 174.8 | -151.7 | 0 | 0 | 110.3 | N57 T91 W93 | N57-E114 PolarHBondContact ND2-O 3.04Å; T91-E114 VanDerWaalsContact CB-OE1 3.26Å; T91-E114 WeakPolarHBondContact CB-OE1 3.26Å; T91-E114 HydrophobicContact CG2-CG 4.12Å; T91-E114 WeakPolarHBondContact CG2-OE1 3.46Å; T91-E114 PolarHBondContact OG1-OE1 2.64Å; W93-E114 HydrophobicContact CE3-CB 4.15Å; W93-E114 HydrophobicContact CH2-CB 3.97Å; W93-E114 HydrophobicContact CZ2-CB 4.44Å; W93-E114 HydrophobicContact CZ3-CB 3.81Å |
| 115 | R | 98.1 | Very high | 95.1 | Very high | 39 Ų | 39 | 69.2 Ų | 69.2 | 15% | 0.147 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 117.5 | -175.2 | -52.7 | -66.6 | -71.6 | 143.3 | 25.1 | 108.8 | Q56 N57 T91 Q92 E94 L117 | Q56-R115 PolarHBondContact O-NH1 3.15Å; Q56-R115 PolarHBondContact O-NH2 3.22Å; N57-R115 WeakPolarHBondContact OD1-CA 3.19Å; N57-R115 PolarHBondContact OD1-NH1 2.82Å; T91-R115 CarbonylContact C-O 3.43Å; T91-R115 WeakPolarHBondContact CA-O 3.46Å; Q92-R115 HydrophobicContact CB-CB 4.46Å; Q92-R115 PolarHBondContact N-O 2.86Å; Q92-R115 WeakPolarHBondContact O-CA 3.44Å; Q92-R115 WeakPolarHBondContact O-CB 3.04Å; Q92-R115 WeakPolarHBondContact O-CG 3.34Å; Q92-R115 PolarHBondContact O-N 2.89Å; E94-R115 HydrophobicContact CB-CG 3.48Å; E94-R115 VanDerWaalsContact CB-CG 3.48Å; E94-R115 VanDerWaalsContact OE2-CD 3.23Å; E94-R115 WeakPolarHBondContact OE2-CD 3.36Å; E94-R115 IonicContact OE2-CZ 3.5Å; E94-R115 IonicContact OE2-NE 3.16Å; E94-R115 PolarHBondContact OE2-NE 2.82Å; E94-R115 IonicContact OE2-NH2 3.75Å; R115-L117 PolarHBondContact O-N 2.92Å |
| 116 | I | 98.5 | Very high | 94 | Very high | 30 Ų | 30 | 70.6 Ų | 70.6 | 15% | 0.154 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 120.3 | 177.5 | -65.5 | 172.2 | 0 | 0 | 0 | 108.4 | N57 R58 P88 T91 | N57-I116 PolarHBondContact OD1-N 2.03Å; N57-I116 VanDerWaalsContact OD1-N 3.09Å; R58-I116 HydrophobicContact CB-CB 4.08Å; R58-I116 HydrophobicContact CB-CG2 4.13Å; R58-I116 WeakPolarHBondContact CB-O 3.13Å; R58-I116 WeakPolarHBondContact CD-O 3.45Å; R58-I116 WeakPolarHBondContact CG-O 3.44Å; R58-I116 WeakPolarHBondContact O-CD1 3.46Å; P88-I116 HydrophobicContact CB-CD1 4.45Å; P88-I116 HydrophobicContact CB-CG1 4.22Å; P88-I116 HydrophobicContact CB-CG2 4.4Å; P88-I116 HydrophobicContact CG-CD1 3.76Å; P88-I116 HydrophobicContact CG-CG1 4.05Å; T91-I116 HydrophobicContact CG2-CG1 4.23Å |
| 117 | L | 97.8 | Very high | 92.4 | Very high | 44 Ų | 44 | 76.3 Ų | 76.3 | 23% | 0.23 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -51.3 | 177.1 | -57 | -175.7 | 0 | 0 | 0 | 110.4 | R58 Q90 Q92 R115 | R58-L117 PolarHBondContact NH1-O 2.78Å; Q90-L117 HydrophobicContact CB-CB 4.26Å; Q90-L117 HydrophobicContact CG-CB 4.34Å; Q90-L117 HydrophobicContact CG-CD1 4.1Å; Q90-L117 PolarHBondContact O-N 3.13Å; Q92-L117 HydrophobicContact CB-CD1 4.17Å; Q92-L117 HydrophobicContact CB-CG 4.49Å; R115-L117 PolarHBondContact O-N 2.92Å |
| 118 | H | 97.4 | Very high | 90 | Very high | 104 Ų | 104 | 77.2 Ų | 77.2 | 48% | 0.481 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 154.1 | -179.6 | -62.2 | -62.2 | 0 | 0 | 0 | 111.3 | A89 Q90 | A89-H118 HydrophobicContact CB-CB 4.32Å; A89-H118 PolarHBondContact N-O 3.19Å; Q90-H118 HydrophobicContact CB-CB 4.32Å; Q90-H118 PolarHBondContact N-O 3.41Å; Q90-H118 PolarHBondContact O-N 3.2Å; Q90-H118 PolarHBondContact OE1-CD2 3.3Å |
| 119 | C | 97.4 | Very high | 87.3 | Confident | 18 Ų | 18 | 76 Ų | 76 | 12% | 0.122 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 147.8 | 174.6 | -57.6 | 0 | 0 | 0 | 0 | 108.7 | A38 C60 T87 | A38-C119 VanDerWaalsContact CA-SG 3.56Å; A38-C119 HydrophobicContact CB-CB 4.26Å; A38-C119 VanDerWaalsContact CB-SG 3.51Å; C60-C119 WeakPolarHBondContact CA-SG 3.45Å; C60-C119 HydrophobicContact CB-CB 3.7Å; C60-C119 WeakPolarHBondContact CB-SG 3.18Å; C60-C119 WeakPolarHBondContact SG-CB 3.31Å; C60-C119 CovalentContact SG-SG 2.03Å; C60-C119 PolarHBondContact SG-SG 3.48Å; T87-C119 WeakPolarHBondContact O-CA 3.26Å |
| 120 | S | 95.8 | Very high | 84.4 | Confident | 22 Ų | 22 | 82.4 Ų | 82.4 | 15% | 0.154 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 161.2 | 174.5 | 67 | 0 | 0 | 0 | 0 | 110.8 | C36 T87 A89 Q122 | C36-S120 VanDerWaalsContact SG-CA 3.55Å; C36-S120 PolarHBondContact SG-N 2.83Å; C36-S120 VanDerWaalsContact SG-N 3.37Å; C36-S120 PolarHBondContact SG-O 2.92Å; T87-S120 PolarHBondContact N-O 3.23Å; T87-S120 PolarHBondContact O-N 2.98Å; T87-S120 VanDerWaalsContact O-N 3.12Å; A89-S120 WeakPolarHBondContact CB-OG 3.48Å; S120-Q122 PolarHBondContact O-N 3.18Å; S120-Q122 WeakPolarHBondContact OG-CG 3.43Å; S120-Q122 PolarHBondContact OG-NE2 3.24Å |
| 121 | C | 95.4 | Very high | 81.8 | Confident | 19 Ų | 19 | 85.9 Ų | 85.9 | 13% | 0.128 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 117.3 | 168.6 | -70.3 | 0 | 0 | 0 | 0 | 108.7 | H22 C64 D84 | H22-C121 PolarHBondContact NE2-N 2.81Å; C64-C121 VanDerWaalsContact CA-SG 3.59Å; C64-C121 HydrophobicContact CB-CB 3.8Å; C64-C121 WeakPolarHBondContact CB-SG 3.23Å; C64-C121 WeakPolarHBondContact SG-CA 3.38Å; C64-C121 WeakPolarHBondContact SG-CB 3.1Å; C64-C121 CovalentContact SG-SG 2.04Å; C64-C121 PolarHBondContact SG-SG 2.94Å; D84-C121 HydrophobicContact CB-CB 4.17Å |
| 122 | Q | 93.4 | Very high | 78.9 | Confident | 72 Ų | 72 | 85.2 Ų | 85.2 | 34% | 0.336 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 154.3 | 179.9 | -63.1 | 175.6 | 68.9 | 0 | 0 | 109.7 | D84 S85 T87 P88 S120 C124 | D84-Q122 CarbonylContact C-O 3.54Å; D84-Q122 WeakPolarHBondContact CA-O 3.04Å; S85-Q122 PolarHBondContact N-O 2.82Å; S85-Q122 PolarHBondContact O-N 2.89Å; T87-Q122 PolarHBondContact O-NE2 3.41Å; T87-Q122 PolarHBondContact OG1-NE2 3.17Å; T87-Q122 VanDerWaalsContact OG1-NE2 3.12Å; P88-Q122 PolarHBondContact O-NE2 3.03Å; S120-Q122 PolarHBondContact O-N 3.18Å; S120-Q122 WeakPolarHBondContact OG-CG 3.43Å; S120-Q122 PolarHBondContact OG-NE2 3.24Å; Q122-C124 PolarHBondContact O-N 3.03Å |
| 123 | S | 93 | Very high | 76.6 | Confident | 88 Ų | 88 | 84.1 Ų | 84.1 | 62% | 0.615 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -47.9 | 128.2 | 177.6 | -57.1 | 0 | 0 | 0 | 0 | 110.5 | C83 D84 S125 | C83-S123 CarbonylContact O-C 3.6Å; C83-S123 VanDerWaalsContact O-CA 3.31Å; C83-S123 WeakPolarHBondContact O-CA 3.1Å; D84-S123 WeakPolarHBondContact OD1-CA 3.05Å; D84-S123 PolarHBondContact OD1-N 2.85Å; S123-S125 PolarHBondContact O-N 2.98Å; S123-S125 VanDerWaalsContact O-N 3.15Å |
| 124 | C | 92.5 | Very high | 74 | Confident | 39 Ų | 39 | 88.5 Ų | 88.5 | 26% | 0.264 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 124.9 | 174.9 | -59.2 | 0 | 0 | 0 | 0 | 108.3 | C83 D84 Q122 K126 | C83-C124 HydrophobicContact CB-CB 3.68Å; C83-C124 WeakPolarHBondContact CB-SG 3.44Å; C83-C124 PolarHBondContact O-N 3.35Å; C83-C124 PolarHBondContact O-SG 3.34Å; C83-C124 VanDerWaalsContact O-SG 3.35Å; C83-C124 WeakPolarHBondContact SG-CB 3.23Å; C83-C124 CovalentContact SG-SG 2.04Å; C83-C124 PolarHBondContact SG-SG 3.01Å; D84-C124 PolarHBondContact N-SG 2.82Å; Q122-C124 PolarHBondContact O-N 3.03Å; C124-K126 PolarHBondContact O-N 2.92Å |
| 125 | S | 83.7 | Confident | 71.4 | Confident | 102 Ų | 102 | 91.6 Ų | 91.6 | 71% | 0.713 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 116.3 | 173.8 | -48.4 | 0 | 0 | 0 | 0 | 107.5 | S123 E127 | S123-S125 PolarHBondContact O-N 2.98Å; S123-S125 VanDerWaalsContact O-N 3.15Å; S125-E127 PolarHBondContact O-N 3.4Å |
| 126 | K | 65.5 | Low | 68.9 | Low | 195 Ų | 195 | 97 Ų | 97 | 85% | 0.848 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 125 | 153.2 | -68.7 | 179.7 | -178.6 | 176.1 | 0 | 103.6 | C124 S128 | C124-K126 PolarHBondContact O-N 2.92Å; K126-S128 PolarHBondContact O-N 3.39Å |
| 127 | E | 53.6 | Low | 66.3 | Low | 180 Ų | 180 | 102.3 Ų | 102.3 | 84% | 0.841 | 57% | 0.57 | S | S | * | * | trans | -59.6 | 80.4 | -179.3 | -54 | 177.5 | 177.4 | 0 | 0 | 109.8 | S125 V129 | S125-E127 PolarHBondContact O-N 3.4Å; E127-V129 PolarHBondContact O-N 3.28Å | ||
| 128 | S | 42.7 | Very low | 63.5 | Low | 89 Ų | 89 | 108.9 Ų | 108.9 | 62% | 0.622 | 59% | 0.593 | S | S | * | * | trans | -70.2 | 104 | 132.5 | 55.9 | 0 | 0 | 0 | 0 | 102.5 | K126 Q130 | K126-S128 PolarHBondContact O-N 3.39Å; S128-Q130 PolarHBondContact O-N 3.34Å | ||
| 129 | V | 39.9 | Very low | 60.9 | Low | 130 Ų | 130 | 109.7 Ų | 109.7 | 79% | 0.788 | 61% | 0.607 | S | S | * | * | trans | -48.6 | 88.9 | 152.8 | 174.8 | 0 | 0 | 0 | 0 | 104.4 | E127 E131 | E127-V129 PolarHBondContact O-N 3.28Å; V129-E131 PolarHBondContact O-N 3.46Å | ||
| 130 | Q | 37.2 | Very low | 58 | Low | 168 Ų | 168 | 113.8 Ų | 113.8 | 79% | 0.785 | 64% | 0.642 | S | S | * | * | trans | -68.9 | 103.5 | 174.4 | -170.6 | 159.7 | 2.4 | 0 | 0 | 100.8 | S128 G132 | S128-Q130 PolarHBondContact O-N 3.34Å; Q130-G132 WeakPolarHBondContact O-CA 3.47Å; Q130-G132 PolarHBondContact O-N 3.28Å | ||
| 131 | E | 42.5 | Very low | 55.2 | Low | 176 Ų | 176 | 120 Ų | 120 | 82% | 0.822 | 67% | 0.674 | S | S | * | * | trans | -38.1 | 85.7 | 169.7 | -163.3 | 159.2 | 148.8 | 0 | 0 | 107.5 | V129 A133 | V129-E131 PolarHBondContact O-N 3.46Å; E131-A133 PolarHBondContact O-N 3.28Å | ||
| 132 | G | 37.9 | Very low | 52.4 | Low | 57 Ų | 57 | 126.2 Ų | 126.2 | 59% | 0.588 | 71% | 0.706 | S | S | * | * | trans | -77.7 | 88.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 104.1 | Q130 V134 | Q130-G132 WeakPolarHBondContact O-CA 3.47Å; Q130-G132 PolarHBondContact O-N 3.28Å; G132-V134 PolarHBondContact O-N 3.42Å | ||
| 133 | A | 48.9 | Very low | 49.5 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | trans | 29.7 | 58.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 113 | E131 M135 | E131-A133 PolarHBondContact O-N 3.28Å; A133-M135 PolarHBondContact O-N 3.43Å | ||
| 134 | V | 45.3 | Very low | 47.1 | Very low | 103 Ų | 103 | 133 Ų | 133 | 62% | 0.624 | 74% | 0.742 | S | S | * | * | trans | -77.4 | 81.6 | 155.7 | -173.4 | 0 | 0 | 0 | 0 | 103.2 | G132 Q136 | G132-V134 PolarHBondContact O-N 3.42Å; V134-Q136 HydrophobicContact CG1-CG 4.44Å; V134-Q136 PolarHBondContact O-N 3.32Å | ||
| 135 | M | 42.9 | Very low | 44.2 | Very low | 151 Ų | 151 | 138 Ų | 138 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | trans | -54.1 | 97.7 | 161.1 | -174.8 | 111.7 | 78.1 | 0 | 0 | 105.2 | A133 L137 | A133-M135 PolarHBondContact O-N 3.43Å; M135-L137 HydrophobicContact CG-CD1 4.02Å; M135-L137 HydrophobicContact CG-CD2 4.3Å; M135-L137 HydrophobicContact CG-CG 3.73Å; M135-L137 PolarHBondContact O-N 3.42Å | ||
| 136 | Q | 46.2 | Very low | 41.9 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | trans | -66.6 | 81.4 | 174.9 | -76.1 | 164.7 | -22.3 | 0 | 0 | 107.5 | V134 Y138 | V134-Q136 HydrophobicContact CG1-CG 4.44Å; V134-Q136 PolarHBondContact O-N 3.32Å; Q136-Y138 VanDerWaalsContact C-N 3.33Å; Q136-Y138 HydrophobicContact CB-CE2 4.25Å; Q136-Y138 HydrophobicContact CG-CE2 4.26Å; Q136-Y138 PolarHBondContact O-N 3.48Å | ||
| 137 | L | 42.5 | Very low | 40.5 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | -87.4 | 81 | 166.6 | -70.5 | 168.1 | 0 | 0 | 0 | 107.7 | M135 | M135-L137 HydrophobicContact CG-CD1 4.02Å; M135-L137 HydrophobicContact CG-CD2 4.3Å; M135-L137 HydrophobicContact CG-CG 3.73Å; M135-L137 PolarHBondContact O-N 3.42Å | ||
| 138 | Y | 39.6 | Very low | 40 | Very low | 182 Ų | 182 | 130.2 Ų | 130.2 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | trans | -131.7 | 128 | 152 | -22.7 | -79.9 | 0 | 0 | 0 | 107.2 | Q136 A140 | Q136-Y138 VanDerWaalsContact C-N 3.33Å; Q136-Y138 HydrophobicContact CB-CE2 4.25Å; Q136-Y138 HydrophobicContact CG-CE2 4.26Å; Q136-Y138 PolarHBondContact O-N 3.48Å; Y138-A140 PolarHBondContact O-N 3.41Å | ||
| 139 | P | 42.3 | Very low | 39.7 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | trans | -65.4 | 124 | 170.2 | -13.6 | 27.9 | 0 | 0 | 0 | 109 | D141 | P139-D141 PolarHBondContact O-N 3.41Å; P139-D141 VanDerWaalsContact O-N 3.12Å | ||
| 140 | A | 37.9 | Very low | 39.3 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | trans | -73.6 | 96.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | Y138 | Y138-A140 PolarHBondContact O-N 3.41Š| ||
| 141 | D | 36.9 | Very low | 39.3 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | trans | -79.7 | 131.8 | 164.4 | -118.8 | -19.9 | 0 | 0 | 0 | 109.2 | P139 | P139-D141 PolarHBondContact O-N 3.41Å; P139-D141 VanDerWaalsContact O-N 3.12Å | ||
| 142 | N | 36.4 | Very low | 38.9 | Very low | 148 Ų | 148 | 127.6 Ų | 127.6 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | -57.9 | 135.6 | -175.6 | -73.1 | -47.8 | 0 | 0 | 0 | 112.6 | ||||
| 143 | T | 32.4 | Very low | 39.4 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | trans | -142.1 | 116 | 131.5 | 37.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 144 | L | 42.2 | Very low | 38.8 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | trans | -63.4 | 123 | 164.8 | -174.5 | 82.7 | 0 | 0 | 0 | 108.6 | ||||
| 145 | D | 32 | Very low | 38.2 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -163.5 | 105.7 | 137 | -109.3 | -29.4 | 0 | 0 | 0 | 113.4 | ||||
| 146 | S | 34.5 | Very low | 37.6 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | 47.8 | 105.1 | 123.4 | -45.7 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 147 | A | 36.3 | Very low | 36.9 | Very low | 95 Ų | 95 | 132.6 Ų | 132.6 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -69.5 | 167.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 148 | P | 43.5 | Very low | 36.9 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | -152.1 | 170.1 | 64.2 | 36.5 | -12.7 | 0 | 0 | 0 | 118.4 | |||||
| 149 | S | 35.8 | Very low | 36.7 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -28.5 | 152.7 | 164 | 55.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 150 | L | 32.5 | Very low | 36.4 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | -173.3 | 122.7 | 126.1 | -100.1 | 146.8 | 0 | 0 | 0 | 114.7 | |||||
| 151 | S | 37.3 | Very low | 36.1 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | 21.3 | 132.9 | 145.7 | 57.9 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 152 | D | 33.4 | Very low | 36.1 | Very low | 143 Ų | 143 | 128.6 Ų | 128.6 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | -41.1 | 160 | 148.7 | -120.6 | -31.9 | 0 | 0 | 0 | 115.4 | ||||
| 153 | P | 48.1 | Very low | 36.3 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | -152.4 | 152 | 74.4 | 37.7 | -16.6 | 0 | 0 | 0 | 119.4 | |||||
| 154 | L | 35.8 | Very low | 36.5 | Very low | 148 Ų | 148 | 129 Ų | 129 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | 14.4 | 132.9 | 141.9 | -65.3 | 163.7 | 0 | 0 | 0 | 121.1 | ||||
| 155 | I | 33.2 | Very low | 36.2 | Very low | 175 Ų | 175 | 126.1 Ų | 126.1 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | 169.5 | 130.1 | 112.8 | -83.2 | 159.7 | 0 | 0 | 0 | 110.7 | |||||
| 156 | G | 29.9 | Very low | 36.3 | Very low | 71 Ų | 71 | 127 Ų | 127 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | 114 | 88.3 | 139.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 157 | D | 32.3 | Very low | 36.1 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -60.6 | 150.9 | 153 | -109 | -38.8 | 0 | 0 | 0 | 110.9 | ||||
| 158 | P | 43.3 | Very low | 36.3 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | -147.6 | 142 | 83.8 | 35.1 | -15.5 | 0 | 0 | 0 | 117.1 | |||||
| 159 | A | 34 | Very low | 35.6 | Very low | 86 Ų | 86 | 130.4 Ų | 130.4 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | 25.4 | 115.3 | 138.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 160 | H | 35.8 | Very low | 35.5 | Very low | 181 Ų | 181 | 132.7 Ų | 132.7 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -134.7 | 117.6 | 156.1 | -92.5 | -65.4 | 0 | 0 | 0 | 113.1 | ||||
| 161 | S | 32.2 | Very low | 35.5 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | 2.5 | 131.1 | 146.8 | -17 | 0 | 0 | 0 | 0 | 121 | ||||
| 162 | L | 38.2 | Very low | 35.3 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | trans | -7.1 | 154.1 | 144.3 | -79.4 | 149.5 | 0 | 0 | 0 | 119.3 | ||||
| 163 | P | 40.1 | Very low | 35.2 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | -136.5 | 134.1 | 103 | 33.4 | -19.8 | 0 | 0 | 0 | 114.4 | |||||
| 164 | H | 36.2 | Very low | 34.6 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | -96 | 130.1 | 152.7 | -89.2 | -74.7 | 0 | 0 | 0 | 107.9 | ||||
| 165 | A | 35.1 | Very low | 34.9 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -139.7 | 110.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 166 | D | 34 | Very low | 35 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | -69.8 | 140.5 | 166.2 | -79.2 | -49.1 | 0 | 0 | 0 | 110.4 | ||||
| 167 | S | 32.1 | Very low | 35.2 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -146.6 | 113.1 | 151.6 | -170 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 168 | L | 39.1 | Very low | 35.4 | Very low | 158 Ų | 158 | 139 Ų | 139 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -59.5 | 141.7 | 162.5 | -86.3 | 88 | 0 | 0 | 0 | 110.3 | ||||
| 169 | S | 30.2 | Very low | 35.4 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | -169.4 | 125.7 | 124.3 | -133.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 170 | D | 32.8 | Very low | 35.7 | Very low | 147 Ų | 147 | 146.9 Ų | 146.9 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | 14.8 | 125.8 | 149.4 | -77.3 | -54.7 | 0 | 0 | 0 | 120.2 | ||||
| 171 | K | 33 | Very low | 36.1 | Very low | 187 Ų | 187 | 144 Ų | 144 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | 179.2 | 138.2 | 105.7 | -100 | 173.9 | -178.6 | -175.3 | 0 | 114.8 | |||||
| 172 | Q | 32.2 | Very low | 36.5 | Very low | 178 Ų | 178 | 145.5 Ų | 145.5 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | 74.6 | 117.3 | 145.7 | -134.4 | 90 | -22 | 0 | 0 | 119.9 | ||||
| 173 | A | 31.2 | Very low | 37 | Very low | 79 Ų | 79 | 146.7 Ų | 146.7 | 65% | 0.653 | 81% | 0.809 | S | S | * | * | trans | -93.2 | 160 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 174 | H | 36.4 | Very low | 37.7 | Very low | 180 Ų | 180 | 146.4 Ų | 146.4 | 83% | 0.833 | 81% | 0.807 | S | S | * | * | trans | 91.4 | 151.1 | 151 | -84 | 75.1 | 0 | 0 | 0 | 119.8 | ||||
| 175 | P | 41 | Very low | 37.9 | Very low | 110 Ų | 110 | 147.3 Ų | 147.3 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | -119 | 161.9 | -116.3 | 38.8 | -25.4 | 0 | 0 | 0 | 113.9 | |||||
| 176 | H | 35.6 | Very low | 38.5 | Very low | 199 Ų | 199 | 147.3 Ų | 147.3 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 123.5 | 172.6 | -76.9 | -70.8 | 0 | 0 | 0 | 111.8 | ||
| 177 | A | 35.3 | Very low | 38.9 | Very low | 83 Ų | 83 | 145.3 Ų | 145.3 | 69% | 0.686 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 147.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 178 | H | 36 | Very low | 39.7 | Very low | 192 Ų | 192 | 147.4 Ų | 147.4 | 89% | 0.889 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 127.3 | 167.3 | -74.3 | -83.3 | 0 | 0 | 0 | 110.9 | ||
| 179 | H | 42.4 | Very low | 40 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 118 | 168.8 | -83.1 | -70.4 | 0 | 0 | 0 | 110.6 | ||
| 180 | H | 39.9 | Very low | 40.2 | Very low | 176 Ų | 176 | 145.6 Ų | 145.6 | 82% | 0.815 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 136.3 | 167.3 | -129.9 | -72.1 | 0 | 0 | 0 | 108.5 | ||
| 181 | P | 44.8 | Very low | 40.6 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 79% | 0.786 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 132.4 | 171 | 3.8 | 12.5 | 0 | 0 | 0 | 110.5 | ||
| 182 | T | 41 | Very low | 41 | Very low | 136 Ų | 136 | 143.3 Ų | 143.3 | 83% | 0.834 | 85% | 0.853 | S | S | * | * | trans | -106.1 | 127.7 | 174.6 | -42.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 183 | L | 47.8 | Very low | 41.5 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 84% | 0.843 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 145.6 | 174 | -86 | 145.2 | 0 | 0 | 0 | 110.9 | ||
| 184 | P | 54.6 | Low | 42.1 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 79% | 0.786 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 137.4 | 178.4 | 30.9 | -31.5 | 0 | 0 | 0 | 112.6 | ||
| 185 | H | 40.8 | Very low | 42.5 | Very low | 194 Ų | 194 | 142.9 Ų | 142.9 | 90% | 0.898 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 131.6 | 170.3 | -97.5 | -86.3 | 0 | 0 | 0 | 111.2 | ||
| 186 | A | 48.3 | Very low | 42.6 | Very low | 98 Ų | 98 | 145.1 Ų | 145.1 | 81% | 0.81 | 88% | 0.879 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 128.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 187 | S | 42.4 | Very low | 43.1 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 85% | 0.846 | 88% | 0.876 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 130.9 | 166.6 | -178 | 0 | 0 | 0 | 0 | 108.3 | ||
| 188 | D | 49.4 | Very low | 43.7 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 87% | 0.872 | 89% | 0.89 | S | S | * | * | trans | -135.6 | 131.4 | 158.8 | -145.6 | 4 | 0 | 0 | 0 | 109.3 | ||||
| 189 | G | 45.3 | Very low | 44.3 | Very low | 71 Ų | 71 | 141.8 Ų | 141.8 | 73% | 0.732 | 89% | 0.891 | S | S | * | * | trans | -101 | 148 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 190 | G | 34.8 | Very low | 44.5 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 100% | 1.619 | 90% | 0.895 | S | S | * | * | trans | 159 | 0 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 190 of 190 residues in 77 ms
(Link to these results)