| 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 | 48.5 | Very low | 50.2 | Low | 227 Ų | 227 | 132.2 Ų | 132.2 | 100% | 1.118 | 80% | 0.797 | S | S | * | * | 0 | 121.1 | 0 | -70.4 | -63 | 172.8 | 0 | 0 | 105.4 | |||||
| 2 | D | 41.2 | Very low | 50.7 | Low | 168 Ų | 168 | 130.8 Ų | 130.8 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | 160.3 | 68.9 | 155.9 | -76.7 | -9.1 | 0 | 0 | 0 | 107.8 | S4 | D2-S4 PolarHBondContact O-N 3.41Š| ||
| 3 | G | 43.4 | Very low | 51.3 | Low | 70 Ų | 70 | 129.5 Ų | 129.5 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -80.5 | 105.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | V5 | G3-V5 PolarHBondContact O-N 3.5Š| ||
| 4 | S | 48.4 | Very low | 52.1 | Low | 118 Ų | 118 | 129.6 Ų | 129.6 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | -64.9 | 96.6 | 168.9 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | D2 A6 | D2-S4 PolarHBondContact O-N 3.41Å; S4-A6 PolarHBondContact O-N 2.88Å | ||
| 5 | V | 52.8 | Low | 53.4 | Low | 135 Ų | 135 | 133.2 Ų | 133.2 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -78.6 | 92.4 | 167.4 | -175.7 | 0 | 0 | 0 | 0 | 106 | G3 S7 | G3-V5 PolarHBondContact O-N 3.5Å; V5-S7 PolarHBondContact O-N 3.23Å; V5-S7 VanDerWaalsContact O-N 3.07Å | ||
| 6 | A | 49.1 | Very low | 55.2 | Low | 88 Ų | 88 | 127.3 Ų | 127.3 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -61.8 | 111.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | S4 S8 | S4-A6 PolarHBondContact O-N 2.88Å; A6-S8 PolarHBondContact O-N 3.3Å | ||
| 7 | S | 53.4 | Low | 57 | Low | 111 Ų | 111 | 127.2 Ų | 127.2 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 120 | 171.6 | 54.2 | 0 | 0 | 0 | 0 | 109.3 | V5 S9 | V5-S7 PolarHBondContact O-N 3.23Å; V5-S7 VanDerWaalsContact O-N 3.07Å; S7-S9 PolarHBondContact O-N 3.25Å |
| 8 | S | 52.3 | Low | 58.7 | Low | 100 Ų | 100 | 129.6 Ų | 129.6 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 124.2 | 172.1 | 68.7 | 0 | 0 | 0 | 0 | 109 | A6 | A6-S8 PolarHBondContact O-N 3.3Š|
| 9 | S | 57.2 | Low | 60.2 | Low | 63 Ų | 63 | 126.1 Ų | 126.1 | 44% | 0.441 | 70% | 0.698 | S | S | . | * | P | Polyproline II helix | trans | -59.3 | 143.4 | 175.6 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | S7 W11 D12 | S7-S9 PolarHBondContact O-N 3.25Å; S9-W11 PolarHBondContact O-N 3.5Å; S9-W11 PolarHBondContact OG-N 2.9Å; S9-W11 VanDerWaalsContact OG-N 3.1Å; S9-D12 WeakPolarHBondContact O-CB 3.42Å; S9-D12 PolarHBondContact O-N 3.28Å |
| 10 | V | 55.8 | Low | 61.7 | Low | 143 Ų | 143 | 119.8 Ų | 119.8 | 87% | 0.867 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -14.6 | 171.2 | 175.2 | 0 | 0 | 0 | 0 | 112.1 | ||
| 11 | W | 49.8 | Very low | 63 | Low | 231 Ų | 231 | 119 Ų | 119 | 88% | 0.875 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | 4.8 | 177.3 | -56.1 | 99.2 | 0 | 0 | 0 | 113.8 | S9 T13 | S9-W11 PolarHBondContact O-N 3.5Å; S9-W11 PolarHBondContact OG-N 2.9Å; S9-W11 VanDerWaalsContact OG-N 3.1Å; W11-T13 PolarHBondContact O-N 3.11Å |
| 12 | D | 56.4 | Low | 65 | Low | 115 Ų | 115 | 113.8 Ų | 113.8 | 62% | 0.615 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -76.3 | 109.6 | 176.9 | -140.2 | 4.6 | 0 | 0 | 0 | 107.8 | S9 Q14 | S9-D12 WeakPolarHBondContact O-CB 3.42Å; S9-D12 PolarHBondContact O-N 3.28Å; D12-Q14 PolarHBondContact O-N 2.76Å; D12-Q14 VanDerWaalsContact O-N 3.16Å |
| 13 | T | 58.8 | Low | 67.3 | Low | 115 Ų | 115 | 110.6 Ų | 110.6 | 71% | 0.706 | 61% | 0.607 | S | S | * | * | trans | -51.7 | 124.2 | 177.6 | -42.6 | 0 | 0 | 0 | 0 | 108.3 | W11 K15 | W11-T13 PolarHBondContact O-N 3.11Å; T13-K15 PolarHBondContact O-N 3.07Å | ||
| 14 | Q | 62.9 | Low | 69.6 | Low | 131 Ų | 131 | 114.7 Ų | 114.7 | 61% | 0.612 | 61% | 0.612 | S | S | * | * | trans | -49.4 | 112.8 | -178.3 | -96.2 | 151.3 | -47.2 | 0 | 0 | 109.7 | D12 V16 E85 | D12-Q14 PolarHBondContact O-N 2.76Å; D12-Q14 VanDerWaalsContact O-N 3.16Å; Q14-V16 PolarHBondContact O-N 2.68Å; Q14-E85 PolarHBondContact OE1-O 3.18Å | ||
| 15 | K | 70.3 | Confident | 71.6 | Confident | 183 Ų | 183 | 112 Ų | 112 | 80% | 0.796 | 59% | 0.59 | S | S | * | * | trans | -68.8 | 109.7 | -170.6 | -169.7 | 171.1 | -173.4 | 166.6 | 0 | 108.7 | T13 Y17 | T13-K15 PolarHBondContact O-N 3.07Å; K15-Y17 PolarHBondContact O-N 2.93Å | ||
| 16 | V | 82.2 | Confident | 73.3 | Confident | 38 Ų | 38 | 106.6 Ų | 106.6 | 23% | 0.23 | 56% | 0.56 | C | S | . | * | trans | -47.4 | 126.5 | 167.6 | 173.1 | 0 | 0 | 0 | 0 | 108.3 | Q14 K18 H20 E21 Y86 P87 | Q14-V16 PolarHBondContact O-N 2.68Å; V16-K18 PolarHBondContact O-N 2.98Å; V16-H20 HydrophobicContact CG1-CB 4.01Å; V16-E21 HydrophobicContact CG1-CG 3.7Å; V16-Y86 WeakPolarHBondContact CG1-OH 3.28Å; V16-Y86 HydrophobicContact CG2-CE1 4.28Å; V16-P87 HydrophobicContact CG2-CB 4.31Å; V16-P87 HydrophobicContact CG2-CG 3.25Å | ||
| 17 | Y | 86.4 | Confident | 75.1 | Confident | 127 Ų | 127 | 110.4 Ų | 110.4 | 50% | 0.498 | 56% | 0.563 | S | S | . | * | trans | -61.2 | 134.8 | 173.7 | -68.8 | -75.8 | 0 | 0 | 0 | 109.5 | K15 H19 H20 E129 | K15-Y17 PolarHBondContact O-N 2.93Å; Y17-H19 VanDerWaalsContact CB-CE1 3.48Å; Y17-H19 WeakPolarHBondContact CB-CE1 3.35Å; Y17-H19 WeakPolarHBondContact CB-ND1 3.41Å; Y17-H19 AromaticContact CG-CE1 3.88Å; Y17-H19 PolarHBondContact O-N 3.37Å; Y17-H20 AromaticContact CD2-CE1 3.78Å; Y17-H20 WeakPolarHBondContact O-CB 3.49Å; Y17-H20 PolarHBondContact O-N 2.88Å; Y17-E129 HydrophobicContact CE2-CG 4.08Å | ||
| 18 | K | 87.3 | Confident | 76.9 | Confident | 169 Ų | 169 | 111.7 Ų | 111.7 | 74% | 0.735 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.8 | -26.7 | -179.2 | -66.1 | -174.3 | 175.5 | -175.1 | 0 | 114.5 | V16 | V16-K18 PolarHBondContact O-N 2.98Š|
| 19 | H | 87 | Confident | 78.6 | Confident | 64 Ų | 64 | 111.2 Ų | 111.2 | 30% | 0.296 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -9.6 | -179.3 | 69.1 | -84.1 | 0 | 0 | 0 | 113.5 | Y17 K42 E129 | Y17-H19 VanDerWaalsContact CB-CE1 3.48Å; Y17-H19 WeakPolarHBondContact CB-CE1 3.35Å; Y17-H19 WeakPolarHBondContact CB-ND1 3.41Å; Y17-H19 AromaticContact CG-CE1 3.88Å; Y17-H19 PolarHBondContact O-N 3.37Å; H19-K42 PolarHBondContact O-NZ 3.45Å; H19-E129 IonicContact CE1-OE2 2.75Å; H19-E129 IonicContact NE2-OE2 3.12Å |
| 20 | H | 90.3 | Very high | 80.2 | Confident | 0 Ų | 0 | 111.1 Ų | 111.1 | 0% | 0 | 55% | 0.547 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -21.1 | 170.5 | -63.1 | -177.6 | 0 | 0 | 0 | 112.3 | V16 Y17 L54 Y86 H123 E129 | V16-H20 HydrophobicContact CG1-CB 4.01Å; Y17-H20 AromaticContact CD2-CE1 3.78Å; Y17-H20 WeakPolarHBondContact O-CB 3.49Å; Y17-H20 PolarHBondContact O-N 2.88Å; H20-L54 HydrophobicContact CB-CD2 4.47Å; H20-L54 WeakPolarHBondContact ND1-CD2 3.23Å; H20-Y86 WeakPolarHBondContact CB-OH 3.48Å; H20-Y86 AromaticContact ND1-CE2 3.77Å; H20-Y86 AromaticContact ND1-CZ 3.49Å; H20-Y86 PolarHBondContact ND1-OH 2.74Å; H20-H123 PolarHBondContact O-NE2 2.77Å; H20-E129 IonicContact CE1-OE1 3.64Å; H20-E129 PolarHBondContact CE1-OE1 3.12Å; H20-E129 IonicContact NE2-OE1 3.92Å; H20-E129 PolarHBondContact NE2-OE1 3.02Å; H20-E129 VanDerWaalsContact NE2-OE1 3.14Å; H20-E129 IonicContact NE2-OE2 3.72Å |
| 21 | E | 89.4 | Confident | 81.8 | Confident | 103 Ų | 103 | 113.2 Ų | 113.2 | 48% | 0.481 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -66.2 | 139.2 | 177.3 | -64.2 | 173.6 | -177.1 | 0 | 0 | 111.2 | V16 Q23 | V16-E21 HydrophobicContact CG1-CG 3.7Å; E21-Q23 PolarHBondContact O-N 2.92Å |
| 22 | Q | 89.7 | Confident | 83.9 | Confident | 117 Ų | 117 | 110.8 Ų | 110.8 | 55% | 0.547 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 120.2 | 173.5 | -166 | 176.7 | 13.3 | 0 | 0 | 109.4 | ||
| 23 | Q | 90.2 | Very high | 85.3 | Confident | 102 Ų | 102 | 113.6 Ų | 113.6 | 48% | 0.477 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 147.2 | -180 | -70.9 | -175.2 | -31.4 | 0 | 0 | 111.5 | E21 A40 V41 | E21-Q23 PolarHBondContact O-N 2.92Å; Q23-A40 HydrophobicContact CB-CB 3.78Å; Q23-V41 PolarHBondContact OE1-O 3.05Å |
| 24 | N | 90.9 | Very high | 86.7 | Confident | 155 Ų | 155 | 113 Ų | 113 | 83% | 0.829 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 144.6 | 173.5 | -70.1 | -41.2 | 0 | 0 | 0 | 112 | A40 | N24-A40 WeakPolarHBondContact O-CB 3.34Š|
| 25 | V | 90.6 | Very high | 87.8 | Confident | 62 Ų | 62 | 108.8 Ų | 108.8 | 38% | 0.376 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 136 | -179.3 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | Q27 L38 | V25-Q27 PolarHBondContact O-N 3.32Å; V25-L38 HydrophobicContact CG1-CB 3.21Å; V25-L38 HydrophobicContact CG1-CD1 4.34Å; V25-L38 HydrophobicContact CG1-CG 4.32Å |
| 26 | A | 88.4 | Confident | 88.7 | Confident | 22 Ų | 22 | 112.4 Ų | 112.4 | 18% | 0.182 | 53% | 0.529 | C | S | . | . | trans | -80.6 | 102.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R29 K39 V41 | A26-R29 HydrophobicContact CB-CG 4.28Å; A26-K39 PolarHBondContact N-O 3.36Å; A26-V41 HydrophobicContact CB-CG2 3.88Å | ||
| 27 | Q | 88.9 | Confident | 89 | Confident | 168 Ų | 168 | 119.9 Ų | 119.9 | 79% | 0.785 | 55% | 0.552 | S | S | * | * | trans | -86.2 | -17.2 | -180 | -62.6 | 179.7 | -4.9 | 0 | 0 | 114.1 | V25 R29 | V25-Q27 PolarHBondContact O-N 3.32Å; Q27-R29 VanDerWaalsContact C-N 3.27Å; Q27-R29 PolarHBondContact O-N 3.03Å | ||
| 28 | T | 89.8 | Confident | 89.1 | Confident | 138 Ų | 138 | 118.1 Ų | 118.1 | 85% | 0.847 | 55% | 0.551 | S | S | * | * | trans | -85.5 | 12.9 | -173.7 | 54.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 29 | R | 87.5 | Confident | 89.2 | Confident | 89 Ų | 89 | 113.8 Ų | 113.8 | 34% | 0.336 | 53% | 0.532 | S | S | . | . | trans | -74 | 138.4 | -175.3 | -64.7 | -174.9 | -174.8 | -139.2 | 7.4 | 111 | A26 Q27 K31 K39 A40 V41 | A26-R29 HydrophobicContact CB-CG 4.28Å; Q27-R29 VanDerWaalsContact C-N 3.27Å; Q27-R29 PolarHBondContact O-N 3.03Å; R29-K31 PolarHBondContact O-N 3.01Å; R29-K39 PolarHBondContact NH2-O 3.35Å; R29-A40 PolarHBondContact NH2-O 3.05Å; R29-V41 VanDerWaalsContact NH2-CG2 3.27Å | ||
| 30 | P | 90.7 | Very high | 89.3 | Confident | 62 Ų | 62 | 112.1 Ų | 112.1 | 40% | 0.403 | 53% | 0.53 | S | S | . | . | trans | -58.8 | 140 | 170 | -23.4 | 33.1 | 0 | 0 | 0 | 111.3 | Y32 R33 E34 | P30-Y32 HydrophobicContact CB-CD1 3.59Å; P30-Y32 HydrophobicContact CB-CE1 3.26Å; P30-Y32 HydrophobicContact CG-CE1 4.01Å; P30-Y32 PolarHBondContact O-N 3.3Å; P30-R33 CarbonylContact O-C 3.55Å; P30-R33 WeakPolarHBondContact O-CA 3.48Å; P30-R33 PolarHBondContact O-N 3.43Å; P30-E34 PolarHBondContact O-N 2.98Å; P30-E34 VanDerWaalsContact O-N 3.1Å | ||
| 31 | K | 91.1 | Very high | 89.2 | Confident | 186 Ų | 186 | 116.5 Ų | 116.5 | 81% | 0.809 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -50.4 | -33.5 | -177.8 | -171.8 | 173.8 | -177.6 | 174.7 | 0 | 114.3 | R29 R33 E34 | R29-K31 PolarHBondContact O-N 3.01Å; K31-R33 VanDerWaalsContact C-N 3.34Å; K31-E34 PolarHBondContact O-N 2.82Å |
| 32 | Y | 92.8 | Very high | 89.2 | Confident | 180 Ų | 180 | 114.9 Ų | 114.9 | 71% | 0.706 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -76.4 | -15.8 | 178.5 | 72.8 | -89 | 0 | 0 | 0 | 114.4 | P30 | P30-Y32 HydrophobicContact CB-CD1 3.59Å; P30-Y32 HydrophobicContact CB-CE1 3.26Å; P30-Y32 HydrophobicContact CG-CE1 4.01Å; P30-Y32 PolarHBondContact O-N 3.3Å |
| 33 | R | 87.3 | Confident | 89.2 | Confident | 174 Ų | 174 | 114.7 Ų | 114.7 | 66% | 0.657 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -108.8 | 1.9 | 173.9 | -63.1 | -167.9 | 168.2 | -173.1 | -2.1 | 112.7 | P30 K31 G35 | P30-R33 CarbonylContact O-C 3.55Å; P30-R33 WeakPolarHBondContact O-CA 3.48Å; P30-R33 PolarHBondContact O-N 3.43Å; K31-R33 VanDerWaalsContact C-N 3.34Å; R33-G35 PolarHBondContact O-N 3.23Å |
| 34 | E | 87.2 | Confident | 89.2 | Confident | 102 Ų | 102 | 112.8 Ų | 112.8 | 48% | 0.477 | 54% | 0.543 | S | S | . | . | trans | -72 | 127.2 | 177.9 | -165.6 | 179.2 | 178.6 | 0 | 0 | 109.4 | P30 K31 L38 | P30-E34 PolarHBondContact O-N 2.98Å; P30-E34 VanDerWaalsContact O-N 3.1Å; K31-E34 PolarHBondContact O-N 2.82Å; E34-L38 HydrophobicContact CG-CD2 4.45Å; E34-L38 WeakPolarHBondContact OE1-CD2 3.17Å | ||
| 35 | G | 86.2 | Confident | 89.2 | Confident | 44 Ų | 44 | 108.8 Ų | 108.8 | 45% | 0.454 | 52% | 0.524 | S | S | . | . | trans | -78.8 | 166.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R33 R37 | R33-G35 PolarHBondContact O-N 3.23Å; G35-R37 PolarHBondContact O-N 3.14Å | ||
| 36 | R | 88.5 | Confident | 89.2 | Confident | 259 Ų | 259 | 107.6 Ų | 107.6 | 98% | 0.977 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -60.8 | -26.1 | 173.1 | -66.1 | -178.2 | -179.8 | -84.2 | 0.6 | 113.5 | ||
| 37 | R | 88.2 | Confident | 89.3 | Confident | 194 Ų | 194 | 111 Ų | 111 | 73% | 0.732 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -121.8 | 133 | 176.7 | -63.6 | -176.3 | -175.6 | 162.6 | 2.1 | 107.6 | G35 K39 | G35-R37 PolarHBondContact O-N 3.14Å; R37-K39 PolarHBondContact O-N 3Å |
| 38 | L | 89.2 | Confident | 89.4 | Confident | 91 Ų | 91 | 106.4 Ų | 106.4 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | trans | -69.5 | 126.5 | 175.1 | -56.8 | 173.3 | 0 | 0 | 0 | 108.2 | V25 E34 | V25-L38 HydrophobicContact CG1-CB 3.21Å; V25-L38 HydrophobicContact CG1-CD1 4.34Å; V25-L38 HydrophobicContact CG1-CG 4.32Å; E34-L38 HydrophobicContact CG-CD2 4.45Å; E34-L38 WeakPolarHBondContact OE1-CD2 3.17Å | ||
| 39 | K | 88.7 | Confident | 89.5 | Confident | 77 Ų | 77 | 100.4 Ų | 100.4 | 34% | 0.335 | 47% | 0.474 | S | S | . | . | trans | -136.1 | 147.3 | -178.5 | -68.9 | -164.5 | 169.6 | -152.9 | 0 | 111 | A26 R29 R37 | A26-K39 PolarHBondContact N-O 3.36Å; R29-K39 PolarHBondContact NH2-O 3.35Å; R37-K39 PolarHBondContact O-N 3Å | ||
| 40 | A | 90.3 | Very high | 89.9 | Confident | 29 Ų | 29 | 96.2 Ų | 96.2 | 24% | 0.24 | 46% | 0.458 | C | S | . | . | trans | -60.1 | 154.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q23 N24 R29 | Q23-A40 HydrophobicContact CB-CB 3.78Å; N24-A40 WeakPolarHBondContact O-CB 3.34Å; R29-A40 PolarHBondContact NH2-O 3.05Å | ||
| 41 | V | 88.1 | Confident | 90.1 | Very high | 93 Ų | 93 | 95.2 Ų | 95.2 | 56% | 0.564 | 45% | 0.446 | S | S | * | . | trans | -89.2 | 113.1 | 173.1 | 177.9 | 0 | 0 | 0 | 0 | 107.8 | Q23 A26 R29 | Q23-V41 PolarHBondContact OE1-O 3.05Å; A26-V41 HydrophobicContact CB-CG2 3.88Å; R29-V41 VanDerWaalsContact NH2-CG2 3.27Å | ||
| 42 | K | 89.1 | Confident | 90.3 | Very high | 68 Ų | 68 | 87.3 Ų | 87.3 | 30% | 0.296 | 41% | 0.411 | S | S | . | . | trans | -130.8 | 135.3 | 175.8 | -166 | 153.6 | 173.5 | -179.6 | 0 | 109.7 | H19 Y44 | H19-K42 PolarHBondContact O-NZ 3.45Å; K42-Y44 HydrophobicContact CB-CE2 4.21Å; K42-Y44 HydrophobicContact CD-CE1 4.05Å; K42-Y44 HydrophobicContact CD-CE2 4.35Å; K42-Y44 WeakPolarHBondContact CD-OH 3.44Å; K42-Y44 WeakPolarHBondContact CE-OH 3.4Å; K42-Y44 HydrophobicContact CG-CE1 4Å; K42-Y44 HydrophobicContact CG-CE2 3.93Å | ||
| 43 | V | 89.3 | Confident | 90.5 | Very high | 113 Ų | 113 | 78.7 Ų | 78.7 | 69% | 0.685 | 38% | 0.378 | S | S | * | . | trans | -108.2 | 124.4 | 178.2 | -179.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 44 | Y | 90.3 | Very high | 90.9 | Very high | 62 Ų | 62 | 70.4 Ų | 70.4 | 24% | 0.243 | 35% | 0.346 | C | S | . | . | trans | -108.1 | 128.1 | 173.3 | -61.5 | -74.1 | 0 | 0 | 0 | 109 | K42 L48 E49 K109 Y126 | K42-Y44 HydrophobicContact CB-CE2 4.21Å; K42-Y44 HydrophobicContact CD-CE1 4.05Å; K42-Y44 HydrophobicContact CD-CE2 4.35Å; K42-Y44 WeakPolarHBondContact CD-OH 3.44Å; K42-Y44 WeakPolarHBondContact CE-OH 3.4Å; K42-Y44 HydrophobicContact CG-CE1 4Å; K42-Y44 HydrophobicContact CG-CE2 3.93Å; Y44-L48 HydrophobicContact CD1-CB 4.36Å; Y44-E49 HydrophobicContact CG-CG 4.47Å; Y44-K109 VanDerWaalsContact OH-CE 3.26Å; Y44-K109 WeakPolarHBondContact OH-CE 3.48Å; Y44-K109 PolarHBondContact OH-NZ 3.03Å; Y44-Y126 AromaticContact CD1-CD2 3.61Å; Y44-Y126 HydrophobicContact CD1-CD2 3.61Å; Y44-Y126 AromaticContact CD1-CE2 3.82Å; Y44-Y126 HydrophobicContact CD1-CE2 3.82Å; Y44-Y126 HydrophobicContact CD2-CE2 4.3Å; Y44-Y126 AromaticContact CE1-CD2 3.44Å; Y44-Y126 HydrophobicContact CE1-CD2 3.44Å; Y44-Y126 VanDerWaalsContact CE1-CD2 3.44Å; Y44-Y126 AromaticContact CE1-CE2 3.79Å; Y44-Y126 HydrophobicContact CE1-CE2 3.79Å; Y44-Y126 HydrophobicContact CE2-CE2 4.27Å; Y44-Y126 HydrophobicContact CG-CD2 4.33Å; Y44-Y126 HydrophobicContact CG-CE2 4.08Å | ||
| 45 | T | 91.3 | Very high | 91.3 | Very high | 71 Ų | 71 | 65.6 Ų | 65.6 | 44% | 0.436 | 32% | 0.324 | S | S | . | . | trans | -97.8 | 166.9 | 165.7 | 65.9 | 0 | 0 | 0 | 0 | 108.4 | N47 L48 E49 | T45-N47 PolarHBondContact O-N 2.88Å; T45-L48 HydrophobicContact CG2-CD1 4.42Å; T45-L48 PolarHBondContact O-N 3.47Å; T45-L48 WeakPolarHBondContact OG1-CG 3.4Å; T45-E49 PolarHBondContact O-N 3.15Å | ||
| 46 | I | 89.7 | Confident | 91.7 | Very high | 37 Ų | 37 | 65.2 Ų | 65.2 | 19% | 0.19 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -27.1 | 177.9 | -171.2 | 60.8 | 0 | 0 | 0 | 113.2 | L102 K139 L140 R143 | I46-L102 HydrophobicContact CD1-CD2 3.94Å; I46-K139 HydrophobicContact CD1-CD 4.27Å; I46-K139 HydrophobicContact CD1-CG 3.84Å; I46-K139 HydrophobicContact CG1-CD 4.44Å; I46-K139 HydrophobicContact CG1-CG 4.02Å; I46-K139 WeakPolarHBondContact O-CD 3.39Å; I46-K139 WeakPolarHBondContact O-CE 3.43Å; I46-K139 PolarHBondContact O-NZ 3.27Å; I46-L140 HydrophobicContact CG1-CD2 4.27Å; I46-L140 HydrophobicContact CG2-CD2 3.83Å; I46-R143 HydrophobicContact CD1-CB 4.1Å; I46-R143 HydrophobicContact CD1-CG 4.28Å; I46-R143 HydrophobicContact CG1-CB 4.01Å; I46-R143 HydrophobicContact CG1-CG 4.06Å |
| 47 | N | 90.8 | Very high | 92 | Very high | 93 Ų | 93 | 53.7 Ų | 53.7 | 50% | 0.497 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -28.5 | 178.1 | -65.3 | -5.6 | 0 | 0 | 0 | 112.6 | T45 | T45-N47 PolarHBondContact O-N 2.88Š|
| 48 | L | 91.8 | Very high | 92.2 | Very high | 73 Ų | 73 | 44.5 Ų | 44.5 | 38% | 0.382 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -24.4 | 178.9 | -65 | 173.7 | 0 | 0 | 0 | 112.4 | Y44 T45 Y126 | Y44-L48 HydrophobicContact CD1-CB 4.36Å; T45-L48 HydrophobicContact CG2-CD1 4.42Å; T45-L48 PolarHBondContact O-N 3.47Å; T45-L48 WeakPolarHBondContact OG1-CG 3.4Å; L48-Y126 VanDerWaalsContact O-CB 3.24Å; L48-Y126 WeakPolarHBondContact O-CB 3.27Å |
| 49 | E | 92.6 | Very high | 92.5 | Very high | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.056 | 22% | 0.22 | C | C | . | . | trans | -76.9 | 139.9 | 168.5 | -60.7 | -175.7 | 151.9 | 0 | 0 | 109 | Y44 T45 L102 R106 Y126 K139 | Y44-E49 HydrophobicContact CG-CG 4.47Å; T45-E49 PolarHBondContact O-N 3.15Å; E49-L102 HydrophobicContact CB-CD1 4.24Å; E49-R106 VanDerWaalsContact CD-NE 3.26Å; E49-R106 IonicContact OE1-CZ 3.96Å; E49-R106 IonicContact OE1-NE 2.93Å; E49-R106 PolarHBondContact OE1-NE 3.37Å; E49-R106 IonicContact OE1-NH2 3.2Å; E49-R106 WeakPolarHBondContact OE2-CD 3.38Å; E49-R106 IonicContact OE2-CZ 2.58Å; E49-R106 IonicContact OE2-NE 3.56Å; E49-R106 PolarHBondContact OE2-NE 3.4Å; E49-Y126 HydrophobicContact CG-CE2 4.16Å; E49-K139 PolarHBondContact O-NZ 2.84Å | ||
| 50 | S | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -140.9 | 163.6 | 175.6 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | Y52 L102 A105 Y126 A127 E131 | S50-Y52 PolarHBondContact OG-O 2.92Å; S50-L102 WeakPolarHBondContact O-CD1 3.42Å; S50-A105 WeakPolarHBondContact O-CB 3.31Å; S50-Y126 WeakPolarHBondContact O-CD1 3.47Å; S50-A127 VanDerWaalsContact OG-C 3.31Å; S50-A127 PolarHBondContact OG-N 2.94Å; S50-A127 VanDerWaalsContact OG-N 3.12Å; S50-A127 PolarHBondContact OG-O 3.37Å; S50-E131 WeakPolarHBondContact CA-OE1 3.5Å; S50-E131 VanDerWaalsContact CB-CD 3.44Å; S50-E131 WeakPolarHBondContact CB-OE1 3.4Å | ||
| 51 | R | 94.8 | Very high | 92.5 | Very high | 41 Ų | 41 | 44.7 Ų | 44.7 | 16% | 0.155 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -70.5 | -21.6 | 171.5 | -65.8 | 171.5 | 62.4 | -164.6 | 3.3 | 112.2 | E78 F99 Q100 L102 E131 E135 | R51-E78 IonicContact CZ-OE2 3.03Å; R51-E78 IonicContact NH1-OE2 2.78Å; R51-E78 IonicContact NH2-OE1 3.14Å; R51-E78 PolarHBondContact NH2-OE1 3.44Å; R51-E78 IonicContact NH2-OE2 2.94Å; R51-E78 PolarHBondContact NH2-OE2 3.01Å; R51-F99 VanDerWaalsContact CZ-O 3.25Å; R51-F99 PolarHBondContact NE-O 3.07Å; R51-F99 PolarHBondContact NH2-O 2.96Å; R51-F99 PolarHBondContact O-N 2.98Å; R51-Q100 VanDerWaalsContact CZ-O 3.29Å; R51-Q100 PolarHBondContact NE-O 3.44Å; R51-Q100 VanDerWaalsContact NH2-C 3.32Å; R51-Q100 PolarHBondContact NH2-O 3.29Å; R51-L102 HydrophobicContact CG-CB 4.28Å; R51-L102 HydrophobicContact CG-CD1 4.37Å; R51-E131 PolarHBondContact N-OE1 2.93Å; R51-E135 IonicContact CZ-OE1 2.94Å; R51-E135 IonicContact NH1-OE1 3.52Å; R51-E135 PolarHBondContact NH1-OE1 3.49Å |
| 52 | Y | 96.5 | Very high | 92.6 | Very high | 20 Ų | 20 | 43 Ų | 43 | 8% | 0.078 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 123.7 | 179.2 | -64.4 | -92.3 | 0 | 0 | 0 | 110.5 | S50 L96 I97 Q98 A127 E131 E135 | S50-Y52 PolarHBondContact OG-O 2.92Å; Y52-L96 HydrophobicContact CD1-CD1 4.35Å; Y52-L96 HydrophobicContact CD1-CD2 4.22Å; Y52-L96 HydrophobicContact CD1-CG 4.28Å; Y52-I97 CarbonylContact C-O 3.58Å; Y52-I97 WeakPolarHBondContact CA-O 3.48Å; Y52-Q98 HydrophobicContact CD1-CB 3.85Å; Y52-Q98 HydrophobicContact CD1-CG 4.05Å; Y52-Q98 HydrophobicContact CE1-CB 3.71Å; Y52-Q98 VanDerWaalsContact CE1-CD 3.4Å; Y52-Q98 HydrophobicContact CE1-CG 3.6Å; Y52-Q98 HydrophobicContact CE2-CG 4.38Å; Y52-Q98 VanDerWaalsContact CZ-OE1 3.28Å; Y52-Q98 PolarHBondContact OH-NE2 2.89Å; Y52-Q98 PolarHBondContact OH-OE1 3.18Å; Y52-A127 PolarHBondContact O-N 3.32Å; Y52-A127 VanDerWaalsContact O-N 3.07Å; Y52-E131 HydrophobicContact CD2-CB 4.47Å; Y52-E131 HydrophobicContact CD2-CG 3.59Å; Y52-E131 HydrophobicContact CE2-CB 4.42Å; Y52-E131 HydrophobicContact CE2-CG 3.9Å; Y52-E135 WeakPolarHBondContact CE2-OE2 3.42Å; Y52-E135 PolarHBondContact OH-OE2 3.46Å |
| 53 | L | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 132 | 173.3 | -62.2 | -175.9 | 0 | 0 | 0 | 109.8 | F71 L96 I97 F99 A105 A108 K109 V124 C125 Y126 | L53-F71 HydrophobicContact CD1-CD1 4.42Å; L53-F71 HydrophobicContact CD1-CE1 3.91Å; L53-L96 WeakPolarHBondContact O-CA 3.49Å; L53-I97 PolarHBondContact N-O 3.21Å; L53-I97 PolarHBondContact O-N 3.24Å; L53-F99 HydrophobicContact CD1-CD2 4.24Å; L53-F99 HydrophobicContact CD1-CE2 3.8Å; L53-F99 HydrophobicContact CG-CD2 4.49Å; L53-F99 HydrophobicContact CG-CE2 4.46Å; L53-A105 HydrophobicContact CD1-CB 4.4Å; L53-A105 HydrophobicContact CD2-CB 4.33Å; L53-A105 HydrophobicContact CG-CB 4.25Å; L53-A108 HydrophobicContact CD1-CB 3.99Å; L53-K109 HydrophobicContact CD1-CB 4.23Å; L53-K109 HydrophobicContact CD2-CB 4.13Å; L53-K109 HydrophobicContact CD2-CG 4.43Å; L53-V124 HydrophobicContact CB-CG1 4.2Å; L53-V124 HydrophobicContact CD1-CG1 4.04Å; L53-V124 HydrophobicContact CD2-CG1 4.41Å; L53-V124 HydrophobicContact CG-CG1 4.47Å; L53-C125 CarbonylContact C-O 3.47Å; L53-C125 WeakPolarHBondContact CA-O 3.47Å; L53-Y126 HydrophobicContact CD2-CD1 3.38Å; L53-Y126 HydrophobicContact CD2-CE1 3.61Å; L53-Y126 HydrophobicContact CD2-CG 4.31Å |
| 54 | L | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 123.3 | 167.8 | -166.3 | 73.5 | 0 | 0 | 0 | 108.5 | H20 Q56 L83 Y86 V94 Y95 L96 V124 C125 A127 | H20-L54 HydrophobicContact CB-CD2 4.47Å; H20-L54 WeakPolarHBondContact ND1-CD2 3.23Å; L54-Q56 HydrophobicContact CD2-CG 4.42Å; L54-Q56 HydrophobicContact CG-CG 4.47Å; L54-L83 HydrophobicContact CD1-CD2 3.95Å; L54-Y86 HydrophobicContact CD2-CD1 4.5Å; L54-Y86 HydrophobicContact CD2-CE1 4.01Å; L54-Y86 HydrophobicContact CD2-CE2 4.13Å; L54-V94 HydrophobicContact CD1-CG1 3.45Å; L54-V94 VanDerWaalsContact CD1-CG1 3.45Å; L54-V94 HydrophobicContact CD2-CG1 4.33Å; L54-V94 HydrophobicContact CG-CG1 3.76Å; L54-Y95 CarbonylContact C-O 3.59Å; L54-Y95 WeakPolarHBondContact CA-O 3.39Å; L54-L96 HydrophobicContact CD1-CD1 4.49Å; L54-V124 WeakPolarHBondContact O-CA 3.44Å; L54-C125 PolarHBondContact N-O 3.47Å; L54-C125 PolarHBondContact O-N 2.86Å; L54-A127 HydrophobicContact CB-CB 4.15Å |
| 55 | V | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 114.5 | -179.7 | -173.1 | 0 | 0 | 0 | 0 | 108.5 | V58 L67 F71 V94 Y95 I97 L122 V124 | V55-V58 HydrophobicContact CG1-CG2 3.76Å; V55-L67 HydrophobicContact CG1-CD1 4.33Å; V55-F71 HydrophobicContact CG1-CE2 4.41Å; V55-F71 HydrophobicContact CG1-CZ 4.43Å; V55-F71 HydrophobicContact CG2-CE1 4.29Å; V55-F71 HydrophobicContact CG2-CE2 3.89Å; V55-F71 HydrophobicContact CG2-CZ 3.51Å; V55-V94 WeakPolarHBondContact O-CA 3.32Å; V55-Y95 PolarHBondContact N-O 3.03Å; V55-Y95 PolarHBondContact O-N 3.28Å; V55-I97 HydrophobicContact CG2-CD1 3.95Å; V55-I97 HydrophobicContact CG2-CG1 4.46Å; V55-L122 HydrophobicContact CG1-CD2 4.05Å; V55-V124 HydrophobicContact CG1-CG2 4.31Å; V55-V124 HydrophobicContact CG2-CG1 4.47Å; V55-V124 HydrophobicContact CG2-CG2 4.41Å |
| 56 | Q | 94.6 | Very high | 93.3 | Very high | 37 Ų | 37 | 38.1 Ų | 38.1 | 17% | 0.173 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 157.7 | 177.3 | -58.3 | 177.3 | 8.7 | 0 | 0 | 110.2 | L54 V94 H123 | L54-Q56 HydrophobicContact CD2-CG 4.42Å; L54-Q56 HydrophobicContact CG-CG 4.47Å; Q56-V94 HydrophobicContact CB-CG2 4.37Å; Q56-V94 HydrophobicContact CG-CG1 4.02Å; Q56-V94 HydrophobicContact CG-CG2 3.97Å; Q56-H123 HydrophobicContact CB-CB 4.28Å; Q56-H123 PolarHBondContact N-O 3.07Å; Q56-H123 PolarHBondContact O-N 3.44Å; Q56-H123 PolarHBondContact OE1-CD2 3Å |
| 57 | G | 93.1 | Very high | 93.6 | Very high | 17 Ų | 17 | 36.4 Ų | 36.4 | 18% | 0.175 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 80.1 | 26.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 58 | V | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 123.3 | 173.7 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | V55 A60 M64 L67 T92 E93 Y95 F117 L122 | V55-V58 HydrophobicContact CG1-CG2 3.76Å; V58-A60 PolarHBondContact O-N 3.36Å; V58-M64 HydrophobicContact CG1-CE 3.59Å; V58-L67 HydrophobicContact CG1-CD2 4.37Å; V58-L67 HydrophobicContact CG2-CD1 4.11Å; V58-L67 HydrophobicContact CG2-CD2 3.91Å; V58-T92 CarbonylContact O-C 3.58Å; V58-T92 WeakPolarHBondContact O-CA 3.25Å; V58-E93 PolarHBondContact N-O 3.38Å; V58-E93 PolarHBondContact O-N 2.97Å; V58-Y95 HydrophobicContact CB-CD2 3.91Å; V58-Y95 HydrophobicContact CB-CE2 3.96Å; V58-Y95 HydrophobicContact CG1-CD2 4.14Å; V58-Y95 HydrophobicContact CG1-CE2 3.92Å; V58-Y95 HydrophobicContact CG2-CD2 3.82Å; V58-Y95 HydrophobicContact CG2-CE2 4.38Å; V58-F117 HydrophobicContact CG1-CE1 3.98Å; V58-L122 HydrophobicContact CG2-CD2 3.83Å |
| 59 | P | 94.2 | Very high | 94 | Very high | 17 Ų | 17 | 36.4 Ų | 36.4 | 11% | 0.11 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 136.1 | 179.7 | -24.4 | 35.6 | 0 | 0 | 0 | 112.3 | I61 F118 | P59-I61 HydrophobicContact CB-CD1 3.88Å; P59-I61 HydrophobicContact CB-CG1 4.04Å; P59-I61 PolarHBondContact O-N 3.47Å; P59-F118 HydrophobicContact CG-CB 4.08Å |
| 60 | A | 90.3 | Very high | 94.1 | Very high | 48 Ų | 48 | 36.7 Ų | 36.7 | 40% | 0.397 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 28.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V58 G62 F91 E93 | V58-A60 PolarHBondContact O-N 3.36Å; A60-G62 PolarHBondContact O-N 3.29Å; A60-F91 WeakPolarHBondContact CB-O 3.47Å; A60-F91 PolarHBondContact N-O 3.01Å; A60-E93 HydrophobicContact CB-CG 3.86Å |
| 61 | I | 89.7 | Confident | 94.2 | Very high | 136 Ų | 136 | 36.7 Ų | 36.7 | 70% | 0.697 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 0.4 | 179.3 | -52.4 | 166.9 | 0 | 0 | 0 | 110.4 | P59 V63 | P59-I61 HydrophobicContact CB-CD1 3.88Å; P59-I61 HydrophobicContact CB-CG1 4.04Å; P59-I61 PolarHBondContact O-N 3.47Å; I61-V63 HydrophobicContact CB-CG2 3.78Å |
| 62 | G | 89.6 | Confident | 94.2 | Very high | 57 Ų | 57 | 37.2 Ų | 37.2 | 59% | 0.588 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84 | 32 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A60 M64 | A60-G62 PolarHBondContact O-N 3.29Å; G62-M64 PolarHBondContact O-N 2.96Å |
| 63 | V | 92.7 | Very high | 94.2 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | trans | -79 | 28.9 | -170.9 | -162.5 | 0 | 0 | 0 | 0 | 112.7 | I61 E66 L67 F117 F118 | I61-V63 HydrophobicContact CB-CG2 3.78Å; V63-E66 HydrophobicContact CG1-CB 4.17Å; V63-E66 WeakPolarHBondContact CG1-OE2 3.44Å; V63-E66 PolarHBondContact O-N 3.12Å; V63-L67 PolarHBondContact O-N 3.38Å; V63-F117 HydrophobicContact CB-CE1 3.97Å; V63-F117 HydrophobicContact CB-CZ 4.17Å; V63-F117 HydrophobicContact CG1-CD1 4.48Å; V63-F117 HydrophobicContact CG1-CE1 3.39Å; V63-F117 HydrophobicContact CG1-CE2 4.28Å; V63-F117 HydrophobicContact CG1-CZ 3.28Å; V63-F118 HydrophobicContact CG1-CD1 4.21Å; V63-F118 HydrophobicContact CG1-CD2 3.25Å; V63-F118 HydrophobicContact CG1-CE1 4.14Å; V63-F118 HydrophobicContact CG1-CE2 3.17Å; V63-F118 HydrophobicContact CG1-CG 3.8Å; V63-F118 HydrophobicContact CG1-CZ 3.66Å; V63-F118 HydrophobicContact CG2-CG 4.48Å | ||
| 64 | M | 92.6 | Very high | 94.1 | Very high | 40 Ų | 40 | 44.4 Ų | 44.4 | 20% | 0.197 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.9 | -46.8 | -164.5 | -72.7 | -55 | 108 | 0 | 0 | 114.6 | V58 G62 E66 L67 V68 Y95 | V58-M64 HydrophobicContact CG1-CE 3.59Å; G62-M64 PolarHBondContact O-N 2.96Å; M64-E66 PolarHBondContact O-N 2.85Å; M64-L67 HydrophobicContact CE-CD2 4.45Å; M64-L67 PolarHBondContact O-N 3.35Å; M64-V68 WeakPolarHBondContact O-CG2 3.36Å; M64-V68 PolarHBondContact O-N 3.25Å; M64-Y95 HydrophobicContact CE-CD1 4.41Å; M64-Y95 HydrophobicContact CE-CD2 3.86Å; M64-Y95 HydrophobicContact CE-CE1 3.77Å; M64-Y95 HydrophobicContact CE-CE2 3.07Å; M64-Y95 HydrophobicContact CE-CG 4.47Å; M64-Y95 WeakPolarHBondContact CE-OH 3.44Å; M64-Y95 HydrophobicContact CG-CE1 4.24Å; M64-Y95 HydrophobicContact SD-CD1 3.58Å; M64-Y95 VanDerWaalsContact SD-CD1 3.58Å; M64-Y95 HydrophobicContact SD-CD2 4.13Å; M64-Y95 HydrophobicContact SD-CE1 2.92Å; M64-Y95 WeakPolarHBondContact SD-CE1 2.97Å; M64-Y95 HydrophobicContact SD-CE2 3.54Å; M64-Y95 VanDerWaalsContact SD-CE2 3.54Å; M64-Y95 HydrophobicContact SD-CG 4.15Å; M64-Y95 PolarHBondContact SD-OH 3.32Å |
| 65 | A | 94.6 | Very high | 94 | Very high | 79 Ų | 79 | 45 Ų | 45 | 65% | 0.653 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -59.7 | -38.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | V68 Q69 | A65-V68 PolarHBondContact O-N 3.15Å; A65-Q69 VanDerWaalsContact O-CB 3.28Å; A65-Q69 WeakPolarHBondContact O-CB 3.41Å; A65-Q69 PolarHBondContact O-N 3.41Å |
| 66 | E | 95.4 | Very high | 94 | Very high | 87 Ų | 87 | 48.6 Ų | 48.6 | 41% | 0.407 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -74.4 | -35.4 | -178 | -59.3 | 166 | 137 | 0 | 0 | 111.3 | V63 M64 Q69 L70 F117 F118 | V63-E66 HydrophobicContact CG1-CB 4.17Å; V63-E66 WeakPolarHBondContact CG1-OE2 3.44Å; V63-E66 PolarHBondContact O-N 3.12Å; M64-E66 PolarHBondContact O-N 2.85Å; E66-Q69 PolarHBondContact O-N 2.98Å; E66-L70 WeakPolarHBondContact O-CB 3.36Å; E66-L70 PolarHBondContact O-N 2.82Å; E66-F117 HydrophobicContact CB-CZ 4.45Å; E66-F118 HydrophobicContact CB-CE2 4.27Å; E66-F118 HydrophobicContact CB-CZ 4.44Å; E66-F118 HydrophobicContact CG-CZ 4.45Å; E66-F118 WeakPolarHBondContact OE1-CZ 3.5Å; E66-F118 WeakPolarHBondContact OE2-CE2 3.45Å; E66-F118 WeakPolarHBondContact OE2-CZ 3.11Å |
| 67 | L | 95.2 | Very high | 94.1 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -51.4 | 170.7 | -172.8 | 71.9 | 0 | 0 | 0 | 110.6 | V55 V58 V63 M64 Q69 L70 F71 Y95 I97 F117 L122 | V55-L67 HydrophobicContact CG1-CD1 4.33Å; V58-L67 HydrophobicContact CG1-CD2 4.37Å; V58-L67 HydrophobicContact CG2-CD1 4.11Å; V58-L67 HydrophobicContact CG2-CD2 3.91Å; V63-L67 PolarHBondContact O-N 3.38Å; M64-L67 HydrophobicContact CE-CD2 4.45Å; M64-L67 PolarHBondContact O-N 3.35Å; L67-Q69 VanDerWaalsContact C-N 3.3Å; L67-Q69 PolarHBondContact O-N 3.23Å; L67-L70 WeakPolarHBondContact O-CB 2.95Å; L67-L70 PolarHBondContact O-N 3.38Å; L67-L70 VanDerWaalsContact O-N 3.13Å; L67-F71 HydrophobicContact CD1-CD2 4.13Å; L67-F71 HydrophobicContact CD1-CE2 3.77Å; L67-F71 HydrophobicContact CG-CD2 4.18Å; L67-F71 HydrophobicContact CG-CE2 4.21Å; L67-F71 WeakPolarHBondContact O-CD2 3Å; L67-F71 PolarHBondContact O-N 2.94Å; L67-Y95 HydrophobicContact CD2-CD2 3.79Å; L67-Y95 HydrophobicContact CD2-CG 3.77Å; L67-I97 HydrophobicContact CD2-CD1 4.32Å; L67-I97 HydrophobicContact CG-CD1 4.42Å; L67-F117 HydrophobicContact CB-CZ 3.94Å; L67-F117 HydrophobicContact CD1-CE1 4.17Å; L67-F117 HydrophobicContact CD1-CE2 4.41Å; L67-F117 HydrophobicContact CD1-CZ 4.02Å; L67-L122 HydrophobicContact CD1-CD1 4.22Å |
| 68 | V | 95.5 | Very high | 94.2 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60 | -42.7 | 178.2 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | M64 A65 L70 F71 A72 I77 Y80 | M64-V68 WeakPolarHBondContact O-CG2 3.36Å; M64-V68 PolarHBondContact O-N 3.25Å; A65-V68 PolarHBondContact O-N 3.15Å; V68-L70 VanDerWaalsContact C-N 3.33Å; V68-L70 PolarHBondContact O-N 2.97Å; V68-F71 PolarHBondContact O-N 3.25Å; V68-A72 VanDerWaalsContact O-CB 3.28Å; V68-A72 WeakPolarHBondContact O-CB 3.3Å; V68-A72 PolarHBondContact O-N 2.83Å; V68-I77 HydrophobicContact CG1-CD1 3.83Å; V68-I77 WeakPolarHBondContact O-CD1 3.28Å; V68-Y80 HydrophobicContact CG1-CD1 4.38Å; V68-Y80 HydrophobicContact CG1-CE1 4.39Å; V68-Y80 HydrophobicContact CG2-CD1 3.96Å; V68-Y80 HydrophobicContact CG2-CD2 3.75Å; V68-Y80 HydrophobicContact CG2-CE1 4.2Å; V68-Y80 HydrophobicContact CG2-CE2 4.02Å; V68-Y80 HydrophobicContact CG2-CG 3.73Å |
| 69 | Q | 95.8 | Very high | 94.3 | Very high | 136 Ų | 136 | 57.2 Ų | 57.2 | 64% | 0.636 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.1 | -40.7 | 176 | -173.4 | 177.4 | 12.1 | 0 | 0 | 112.2 | A65 E66 L67 A72 | A65-Q69 VanDerWaalsContact O-CB 3.28Å; A65-Q69 WeakPolarHBondContact O-CB 3.41Å; A65-Q69 PolarHBondContact O-N 3.41Å; E66-Q69 PolarHBondContact O-N 2.98Å; L67-Q69 VanDerWaalsContact C-N 3.3Å; L67-Q69 PolarHBondContact O-N 3.23Å; Q69-A72 PolarHBondContact O-N 2.84Å |
| 70 | L | 94.8 | Very high | 94.4 | Very high | 18 Ų | 18 | 62.8 Ų | 62.8 | 9% | 0.094 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 175.8 | 170 | 64.4 | 0 | 0 | 0 | 111.5 | E66 L67 V68 Y74 T112 K115 F117 L122 | E66-L70 WeakPolarHBondContact O-CB 3.36Å; E66-L70 PolarHBondContact O-N 2.82Å; L67-L70 WeakPolarHBondContact O-CB 2.95Å; L67-L70 PolarHBondContact O-N 3.38Å; L67-L70 VanDerWaalsContact O-N 3.13Å; V68-L70 VanDerWaalsContact C-N 3.33Å; V68-L70 PolarHBondContact O-N 2.97Å; L70-Y74 WeakPolarHBondContact O-CE2 3.47Å; L70-T112 HydrophobicContact CD2-CG2 4.28Å; L70-T112 HydrophobicContact CG-CG2 4.25Å; L70-K115 HydrophobicContact CD1-CD 4.3Å; L70-K115 HydrophobicContact CD2-CD 4.35Å; L70-F117 HydrophobicContact CD2-CD2 4.17Å; L70-F117 HydrophobicContact CD2-CE2 4.37Å; L70-L122 HydrophobicContact CD2-CD1 4Å |
| 71 | F | 95.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -73.7 | -31.6 | 180 | -83.1 | -88.6 | 0 | 0 | 0 | 112.6 | L53 V55 L67 V68 L73 Y74 I77 I97 F99 A108 T112 V124 | L53-F71 HydrophobicContact CD1-CD1 4.42Å; L53-F71 HydrophobicContact CD1-CE1 3.91Å; V55-F71 HydrophobicContact CG1-CE2 4.41Å; V55-F71 HydrophobicContact CG1-CZ 4.43Å; V55-F71 HydrophobicContact CG2-CE1 4.29Å; V55-F71 HydrophobicContact CG2-CE2 3.89Å; V55-F71 HydrophobicContact CG2-CZ 3.51Å; L67-F71 HydrophobicContact CD1-CD2 4.13Å; L67-F71 HydrophobicContact CD1-CE2 3.77Å; L67-F71 HydrophobicContact CG-CD2 4.18Å; L67-F71 HydrophobicContact CG-CE2 4.21Å; L67-F71 WeakPolarHBondContact O-CD2 3Å; L67-F71 PolarHBondContact O-N 2.94Å; V68-F71 PolarHBondContact O-N 3.25Å; F71-L73 PolarHBondContact O-N 3.49Å; F71-Y74 PolarHBondContact O-N 3.01Å; F71-I77 HydrophobicContact CB-CD1 3.85Å; F71-I97 HydrophobicContact CB-CD1 4.26Å; F71-I97 HydrophobicContact CD1-CD1 4.17Å; F71-I97 HydrophobicContact CD2-CD1 3.47Å; F71-I97 VanDerWaalsContact CD2-CD1 3.47Å; F71-I97 HydrophobicContact CE1-CD1 4.41Å; F71-I97 HydrophobicContact CE2-CD1 3.77Å; F71-I97 HydrophobicContact CG-CD1 3.7Å; F71-I97 HydrophobicContact CZ-CD1 4.23Å; F71-F99 HydrophobicContact CB-CZ 3.93Å; F71-F99 AromaticContact CD1-CE2 3.85Å; F71-F99 HydrophobicContact CD1-CE2 3.85Å; F71-F99 AromaticContact CD1-CZ 3.75Å; F71-F99 HydrophobicContact CD1-CZ 3.75Å; F71-F99 HydrophobicContact CG-CZ 4.32Å; F71-A108 HydrophobicContact CD1-CB 3.76Å; F71-A108 HydrophobicContact CE1-CB 3.98Å; F71-T112 HydrophobicContact CE1-CG2 4.12Å; F71-T112 WeakPolarHBondContact CE1-OG1 3.35Å; F71-T112 HydrophobicContact CE2-CG2 4.45Å; F71-T112 HydrophobicContact CZ-CG2 4.08Å; F71-V124 HydrophobicContact CZ-CG2 4.23Å |
| 72 | A | 96.1 | Very high | 94.7 | Very high | 52 Ų | 52 | 62.3 Ų | 62.3 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.7 | -23.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V68 Q69 Y74 G75 I77 | V68-A72 VanDerWaalsContact O-CB 3.28Å; V68-A72 WeakPolarHBondContact O-CB 3.3Å; V68-A72 PolarHBondContact O-N 2.83Å; Q69-A72 PolarHBondContact O-N 2.84Å; A72-Y74 PolarHBondContact O-N 3.41Å; A72-G75 PolarHBondContact O-N 3.24Å; A72-I77 HydrophobicContact CB-CD1 4.21Å |
| 73 | L | 95.4 | Very high | 94.8 | Very high | 130 Ų | 130 | 60 Ų | 60 | 68% | 0.681 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -26.6 | 173.9 | -64.7 | 175.9 | 0 | 0 | 0 | 113.1 | F71 | F71-L73 PolarHBondContact O-N 3.49Š|
| 74 | Y | 94.9 | Very high | 94.6 | Very high | 40 Ų | 40 | 65.9 Ų | 65.9 | 16% | 0.157 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -21.2 | -175 | -57.8 | -72.7 | 0 | 0 | 0 | 113.1 | L70 F71 A72 S104 A108 H111 T112 N242 | L70-Y74 WeakPolarHBondContact O-CE2 3.47Å; F71-Y74 PolarHBondContact O-N 3.01Å; A72-Y74 PolarHBondContact O-N 3.41Å; Y74-S104 PolarHBondContact O-OG 3.49Å; Y74-A108 HydrophobicContact CD2-CB 3.89Å; Y74-A108 HydrophobicContact CG-CB 4.01Å; Y74-H111 HydrophobicContact CE1-CB 3.68Å; Y74-H111 AromaticContact CE1-CG 3.81Å; Y74-H111 AromaticContact CE1-ND1 3.98Å; Y74-H111 VanDerWaalsContact OH-CB 3.26Å; Y74-H111 WeakPolarHBondContact OH-CB 3.37Å; Y74-T112 HydrophobicContact CD2-CG2 4.31Å; Y74-T112 HydrophobicContact CE2-CG2 3.56Å; Y74-N242 PolarHBondContact O-ND2 3.39Å |
| 75 | G | 94.4 | Very high | 94.2 | Very high | 13 Ų | 13 | 69.8 Ų | 69.8 | 13% | 0.134 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 171.5 | 178.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A72 | A72-G75 PolarHBondContact O-N 3.24Š|
| 76 | V | 96.2 | Very high | 93.9 | Very high | 76 Ų | 76 | 67.1 Ų | 67.1 | 46% | 0.461 | 34% | 0.335 | S | S | . | . | trans | -73.1 | 126.8 | 179.3 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | Q100 | V76-Q100 HydrophobicContact CB-CB 4.24Å; V76-Q100 PolarHBondContact O-N 3.31Å | ||
| 77 | I | 96.7 | Very high | 93.5 | Very high | 34 Ų | 34 | 65.4 Ų | 65.4 | 17% | 0.174 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 130.7 | 175.7 | -60.4 | 168.6 | 0 | 0 | 0 | 107.8 | V68 F71 A72 E79 Y80 I97 Q98 F99 | V68-I77 HydrophobicContact CG1-CD1 3.83Å; V68-I77 WeakPolarHBondContact O-CD1 3.28Å; F71-I77 HydrophobicContact CB-CD1 3.85Å; A72-I77 HydrophobicContact CB-CD1 4.21Å; I77-E79 WeakPolarHBondContact CG2-O 3.48Å; I77-Y80 HydrophobicContact CG2-CD1 4.37Å; I77-I97 HydrophobicContact CD1-CG2 4.37Å; I77-I97 HydrophobicContact CG1-CG2 4.28Å; I77-I97 HydrophobicContact CG2-CG2 4.04Å; I77-Q98 WeakPolarHBondContact CA-O 3.31Å; I77-F99 HydrophobicContact CG1-CD1 4.39Å; I77-F99 HydrophobicContact CG1-CE1 3.98Å; I77-F99 HydrophobicContact CG1-CZ 4.35Å |
| 78 | E | 95.2 | Very high | 93 | Very high | 93 Ų | 93 | 67.8 Ų | 67.8 | 44% | 0.435 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -47.8 | 175.1 | -75.9 | -177.3 | 172.9 | 0 | 0 | 111.3 | R51 Q98 Q100 | R51-E78 IonicContact CZ-OE2 3.03Å; R51-E78 IonicContact NH1-OE2 2.78Å; R51-E78 IonicContact NH2-OE1 3.14Å; R51-E78 PolarHBondContact NH2-OE1 3.44Å; R51-E78 IonicContact NH2-OE2 2.94Å; R51-E78 PolarHBondContact NH2-OE2 3.01Å; E78-Q98 HydrophobicContact CB-CG 4.16Å; E78-Q98 PolarHBondContact N-O 3Å; E78-Q98 PolarHBondContact OE2-NE2 3.4Å; E78-Q100 HydrophobicContact CG-CB 4.1Å; E78-Q100 WeakPolarHBondContact OE1-CG 3.43Å |
| 79 | E | 95.6 | Very high | 92.6 | Very high | 108 Ų | 108 | 73.5 Ų | 73.5 | 51% | 0.505 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 146.9 | -177 | -170.5 | 176.1 | 168.9 | 0 | 0 | 109.7 | I77 Q98 | I77-E79 WeakPolarHBondContact CG2-O 3.48Å; E79-Q98 HydrophobicContact CB-CB 4.06Å; E79-Q98 PolarHBondContact O-N 3.44Å |
| 80 | Y | 95.6 | Very high | 92.3 | Very high | 133 Ų | 133 | 74.5 Ų | 74.5 | 52% | 0.522 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 135.5 | 167.4 | 63.4 | -87.3 | 0 | 0 | 0 | 108.9 | V68 I77 L96 | V68-Y80 HydrophobicContact CG1-CD1 4.38Å; V68-Y80 HydrophobicContact CG1-CE1 4.39Å; V68-Y80 HydrophobicContact CG2-CD1 3.96Å; V68-Y80 HydrophobicContact CG2-CD2 3.75Å; V68-Y80 HydrophobicContact CG2-CE1 4.2Å; V68-Y80 HydrophobicContact CG2-CE2 4.02Å; V68-Y80 HydrophobicContact CG2-CG 3.73Å; I77-Y80 HydrophobicContact CG2-CD1 4.37Å; Y80-L96 CarbonylContact C-O 3.58Å; Y80-L96 VanDerWaalsContact CA-O 3.28Å; Y80-L96 WeakPolarHBondContact CA-O 3.42Å |
| 81 | R | 94 | Very high | 92 | Very high | 117 Ų | 117 | 81.8 Ų | 81.8 | 44% | 0.442 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 133.4 | -176.7 | 176.2 | 174.3 | -176.7 | -137 | -3.9 | 111 | E85 L96 | R81-E85 IonicContact NH2-OE1 2.68Å; R81-L96 PolarHBondContact N-O 3.49Å; R81-L96 PolarHBondContact O-N 3.06Å |
| 82 | P | 93.7 | Very high | 91.9 | Very high | 57 Ų | 57 | 83.2 Ų | 83.2 | 37% | 0.37 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 133 | 164.3 | 25.3 | -30.1 | 0 | 0 | 0 | 110.2 | Y95 | P82-Y95 HydrophobicContact CB-CD1 4.27Å; P82-Y95 HydrophobicContact CB-CE1 3.47Å; P82-Y95 VanDerWaalsContact CB-CE1 3.47Å; P82-Y95 HydrophobicContact CG-CE1 4.36Å |
| 83 | L | 91.5 | Very high | 91.7 | Very high | 8 Ų | 8 | 83.4 Ų | 83.4 | 4% | 0.042 | 41% | 0.413 | C | S | . | . | trans | -112.2 | 75.5 | -178.6 | -165.8 | 68.5 | 0 | 0 | 0 | 110.1 | L54 E85 Y86 V94 Y130 | L54-L83 HydrophobicContact CD1-CD2 3.95Å; L83-E85 PolarHBondContact O-N 3.4Å; L83-Y86 HydrophobicContact CD2-CD2 3.83Å; L83-Y86 HydrophobicContact CD2-CG 4.01Å; L83-Y86 WeakPolarHBondContact O-CB 3.49Å; L83-Y86 PolarHBondContact O-N 3.35Å; L83-Y86 VanDerWaalsContact O-N 3.12Å; L83-V94 PolarHBondContact N-O 3.09Å; L83-Y130 VanDerWaalsContact CD2-OH 3.25Å; L83-Y130 WeakPolarHBondContact CD2-OH 3.35Å | ||
| 84 | D | 87.2 | Confident | 91.7 | Very high | 131 Ų | 131 | 77.4 Ų | 77.4 | 70% | 0.701 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -26.4 | -178.4 | -54.4 | -19.9 | 0 | 0 | 0 | 112.7 | Y86 | D84-Y86 PolarHBondContact O-N 2.58Š|
| 85 | E | 85.7 | Confident | 91.7 | Very high | 122 Ų | 122 | 75.9 Ų | 75.9 | 57% | 0.57 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -15.1 | 176.9 | -64.2 | 167.9 | -151.9 | 0 | 0 | 112.6 | Q14 R81 L83 | Q14-E85 PolarHBondContact OE1-O 3.18Å; R81-E85 IonicContact NH2-OE1 2.68Å; L83-E85 PolarHBondContact O-N 3.4Å |
| 86 | Y | 87 | Confident | 91.8 | Very high | 23 Ų | 23 | 76.3 Ų | 76.3 | 9% | 0.09 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -84.6 | 134.5 | -179.3 | -156.9 | -92.2 | 0 | 0 | 0 | 110.4 | V16 H20 L54 L83 D84 A88 V94 | V16-Y86 WeakPolarHBondContact CG1-OH 3.28Å; V16-Y86 HydrophobicContact CG2-CE1 4.28Å; H20-Y86 WeakPolarHBondContact CB-OH 3.48Å; H20-Y86 AromaticContact ND1-CE2 3.77Å; H20-Y86 AromaticContact ND1-CZ 3.49Å; H20-Y86 PolarHBondContact ND1-OH 2.74Å; L54-Y86 HydrophobicContact CD2-CD1 4.5Å; L54-Y86 HydrophobicContact CD2-CE1 4.01Å; L54-Y86 HydrophobicContact CD2-CE2 4.13Å; L83-Y86 HydrophobicContact CD2-CD2 3.83Å; L83-Y86 HydrophobicContact CD2-CG 4.01Å; L83-Y86 WeakPolarHBondContact O-CB 3.49Å; L83-Y86 PolarHBondContact O-N 3.35Å; L83-Y86 VanDerWaalsContact O-N 3.12Å; D84-Y86 PolarHBondContact O-N 2.58Å; Y86-A88 PolarHBondContact O-N 3.2Å; Y86-V94 HydrophobicContact CD1-CB 4.42Å; Y86-V94 HydrophobicContact CD1-CG1 4.06Å; Y86-V94 HydrophobicContact CD1-CG2 4.08Å; Y86-V94 HydrophobicContact CG-CG1 4.27Å |
| 87 | P | 86.7 | Confident | 91.8 | Very high | 50 Ų | 50 | 72.7 Ų | 72.7 | 33% | 0.325 | 35% | 0.353 | S | S | . | . | trans | -62.1 | 115.5 | 178.3 | 26.9 | -36.3 | 0 | 0 | 0 | 110.3 | V16 | V16-P87 HydrophobicContact CG2-CB 4.31Å; V16-P87 HydrophobicContact CG2-CG 3.25Å | ||
| 88 | A | 85 | Confident | 91.8 | Very high | 53 Ų | 53 | 72 Ų | 72 | 44% | 0.438 | 35% | 0.349 | S | S | . | . | trans | -115.1 | 158.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y86 T92 V94 | Y86-A88 PolarHBondContact O-N 3.2Å; A88-T92 WeakPolarHBondContact CB-O 3.45Å; A88-V94 HydrophobicContact CB-CG2 3.82Å | ||
| 89 | E | 87.4 | Confident | 91.9 | Very high | 150 Ų | 150 | 67.5 Ų | 67.5 | 70% | 0.701 | 33% | 0.328 | S | S | * | . | trans | -70 | 153.9 | 170.3 | -178.2 | 177.8 | -176.5 | 0 | 0 | 110 | F91 T92 | E89-F91 PolarHBondContact O-N 3.42Å; E89-T92 WeakPolarHBondContact CA-OG1 3.37Å; E89-T92 HydrophobicContact CB-CG2 4.2Å; E89-T92 WeakPolarHBondContact CB-OG1 2.89Å; E89-T92 PolarHBondContact N-OG1 2.91Å; E89-T92 VanDerWaalsContact N-OG1 3.15Å; E89-T92 PolarHBondContact O-N 2.88Å; E89-T92 PolarHBondContact O-OG1 3.25Å | ||
| 90 | E | 89.2 | Confident | 91.8 | Very high | 157 Ų | 157 | 66.9 Ų | 66.9 | 73% | 0.734 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 135.1 | 177.6 | -63.1 | -178.8 | -179.3 | 0 | 0 | 111.4 | T92 | E90-T92 PolarHBondContact O-N 2.85Å; E90-T92 VanDerWaalsContact O-N 3.13Å |
| 91 | F | 88.9 | Confident | 91.6 | Very high | 171 Ų | 171 | 65.3 Ų | 65.3 | 75% | 0.75 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 14.1 | -178.4 | -43.1 | -76 | 0 | 0 | 0 | 115 | A60 E89 | A60-F91 WeakPolarHBondContact CB-O 3.47Å; A60-F91 PolarHBondContact N-O 3.01Å; E89-F91 PolarHBondContact O-N 3.42Å |
| 92 | T | 93.3 | Very high | 91.6 | Very high | 30 Ų | 30 | 61.5 Ų | 61.5 | 18% | 0.184 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 149 | 172.3 | 73.6 | 0 | 0 | 0 | 0 | 111.5 | V58 A88 E89 E90 | V58-T92 CarbonylContact O-C 3.58Å; V58-T92 WeakPolarHBondContact O-CA 3.25Å; A88-T92 WeakPolarHBondContact CB-O 3.45Å; E89-T92 WeakPolarHBondContact CA-OG1 3.37Å; E89-T92 HydrophobicContact CB-CG2 4.2Å; E89-T92 WeakPolarHBondContact CB-OG1 2.89Å; E89-T92 PolarHBondContact N-OG1 2.91Å; E89-T92 VanDerWaalsContact N-OG1 3.15Å; E89-T92 PolarHBondContact O-N 2.88Å; E89-T92 PolarHBondContact O-OG1 3.25Å; E90-T92 PolarHBondContact O-N 2.85Å; E90-T92 VanDerWaalsContact O-N 3.13Å |
| 93 | E | 93 | Very high | 91.5 | Very high | 56 Ų | 56 | 60.3 Ų | 60.3 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 155.7 | 177.5 | -71.9 | 166.6 | 167.9 | 0 | 0 | 109.2 | V58 A60 Y95 | V58-E93 PolarHBondContact N-O 3.38Å; V58-E93 PolarHBondContact O-N 2.97Å; A60-E93 HydrophobicContact CB-CG 3.86Å; E93-Y95 HydrophobicContact CB-CE2 3.51Å; E93-Y95 PolarHBondContact OE2-OH 2.97Å |
| 94 | V | 94.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.8 | 179.4 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | L54 V55 Q56 L83 Y86 A88 | L54-V94 HydrophobicContact CD1-CG1 3.45Å; L54-V94 VanDerWaalsContact CD1-CG1 3.45Å; L54-V94 HydrophobicContact CD2-CG1 4.33Å; L54-V94 HydrophobicContact CG-CG1 3.76Å; V55-V94 WeakPolarHBondContact O-CA 3.32Å; Q56-V94 HydrophobicContact CB-CG2 4.37Å; Q56-V94 HydrophobicContact CG-CG1 4.02Å; Q56-V94 HydrophobicContact CG-CG2 3.97Å; L83-V94 PolarHBondContact N-O 3.09Å; Y86-V94 HydrophobicContact CD1-CB 4.42Å; Y86-V94 HydrophobicContact CD1-CG1 4.06Å; Y86-V94 HydrophobicContact CD1-CG2 4.08Å; Y86-V94 HydrophobicContact CG-CG1 4.27Å; A88-V94 HydrophobicContact CB-CG2 3.82Å |
| 95 | Y | 95.4 | Very high | 92 | Very high | 9 Ų | 9 | 53.9 Ų | 53.9 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 138.1 | -177.9 | -72.6 | -81.7 | 0 | 0 | 0 | 111.8 | L54 V55 V58 M64 L67 P82 E93 | L54-Y95 CarbonylContact C-O 3.59Å; L54-Y95 WeakPolarHBondContact CA-O 3.39Å; V55-Y95 PolarHBondContact N-O 3.03Å; V55-Y95 PolarHBondContact O-N 3.28Å; V58-Y95 HydrophobicContact CB-CD2 3.91Å; V58-Y95 HydrophobicContact CB-CE2 3.96Å; V58-Y95 HydrophobicContact CG1-CD2 4.14Å; V58-Y95 HydrophobicContact CG1-CE2 3.92Å; V58-Y95 HydrophobicContact CG2-CD2 3.82Å; V58-Y95 HydrophobicContact CG2-CE2 4.38Å; M64-Y95 HydrophobicContact CE-CD1 4.41Å; M64-Y95 HydrophobicContact CE-CD2 3.86Å; M64-Y95 HydrophobicContact CE-CE1 3.77Å; M64-Y95 HydrophobicContact CE-CE2 3.07Å; M64-Y95 HydrophobicContact CE-CG 4.47Å; M64-Y95 WeakPolarHBondContact CE-OH 3.44Å; M64-Y95 HydrophobicContact CG-CE1 4.24Å; M64-Y95 HydrophobicContact SD-CD1 3.58Å; M64-Y95 VanDerWaalsContact SD-CD1 3.58Å; M64-Y95 HydrophobicContact SD-CD2 4.13Å; M64-Y95 HydrophobicContact SD-CE1 2.92Å; M64-Y95 WeakPolarHBondContact SD-CE1 2.97Å; M64-Y95 HydrophobicContact SD-CE2 3.54Å; M64-Y95 VanDerWaalsContact SD-CE2 3.54Å; M64-Y95 HydrophobicContact SD-CG 4.15Å; M64-Y95 PolarHBondContact SD-OH 3.32Å; L67-Y95 HydrophobicContact CD2-CD2 3.79Å; L67-Y95 HydrophobicContact CD2-CG 3.77Å; P82-Y95 HydrophobicContact CB-CD1 4.27Å; P82-Y95 HydrophobicContact CB-CE1 3.47Å; P82-Y95 VanDerWaalsContact CB-CE1 3.47Å; P82-Y95 HydrophobicContact CG-CE1 4.36Å; E93-Y95 HydrophobicContact CB-CE2 3.51Å; E93-Y95 PolarHBondContact OE2-OH 2.97Å |
| 96 | L | 96 | Very high | 92.4 | Very high | 21 Ų | 21 | 49.5 Ų | 49.5 | 11% | 0.11 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 122.2 | 165.3 | -171.6 | 69.5 | 0 | 0 | 0 | 108.4 | Y52 L53 L54 Y80 R81 A127 Y130 | Y52-L96 HydrophobicContact CD1-CD1 4.35Å; Y52-L96 HydrophobicContact CD1-CD2 4.22Å; Y52-L96 HydrophobicContact CD1-CG 4.28Å; L53-L96 WeakPolarHBondContact O-CA 3.49Å; L54-L96 HydrophobicContact CD1-CD1 4.49Å; Y80-L96 CarbonylContact C-O 3.58Å; Y80-L96 VanDerWaalsContact CA-O 3.28Å; Y80-L96 WeakPolarHBondContact CA-O 3.42Å; R81-L96 PolarHBondContact N-O 3.49Å; R81-L96 PolarHBondContact O-N 3.06Å; L96-A127 HydrophobicContact CD1-CB 4.1Å; L96-Y130 HydrophobicContact CD1-CD2 3.77Å; L96-Y130 HydrophobicContact CD1-CE2 4.1Å; L96-Y130 HydrophobicContact CD1-CG 4.06Å; L96-Y130 HydrophobicContact CD2-CD1 3.63Å; L96-Y130 HydrophobicContact CD2-CD2 4.24Å; L96-Y130 HydrophobicContact CD2-CE1 4.03Å; L96-Y130 HydrophobicContact CD2-CG 3.75Å |
| 97 | I | 96.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123.2 | 178.1 | -58.8 | 178.6 | 0 | 0 | 0 | 108.8 | Y52 L53 V55 L67 F71 I77 F99 | Y52-I97 CarbonylContact C-O 3.58Å; Y52-I97 WeakPolarHBondContact CA-O 3.48Å; L53-I97 PolarHBondContact N-O 3.21Å; L53-I97 PolarHBondContact O-N 3.24Å; V55-I97 HydrophobicContact CG2-CD1 3.95Å; V55-I97 HydrophobicContact CG2-CG1 4.46Å; L67-I97 HydrophobicContact CD2-CD1 4.32Å; L67-I97 HydrophobicContact CG-CD1 4.42Å; F71-I97 HydrophobicContact CB-CD1 4.26Å; F71-I97 HydrophobicContact CD1-CD1 4.17Å; F71-I97 HydrophobicContact CD2-CD1 3.47Å; F71-I97 VanDerWaalsContact CD2-CD1 3.47Å; F71-I97 HydrophobicContact CE1-CD1 4.41Å; F71-I97 HydrophobicContact CE2-CD1 3.77Å; F71-I97 HydrophobicContact CG-CD1 3.7Å; F71-I97 HydrophobicContact CZ-CD1 4.23Å; I77-I97 HydrophobicContact CD1-CG2 4.37Å; I77-I97 HydrophobicContact CG1-CG2 4.28Å; I77-I97 HydrophobicContact CG2-CG2 4.04Å; I97-F99 HydrophobicContact CG2-CD2 4.33Å; I97-F99 HydrophobicContact CG2-CE2 3.94Å; I97-F99 HydrophobicContact CG2-CZ 4.45Å |
| 98 | Q | 96.4 | Very high | 93.2 | Very high | 18 Ų | 18 | 46.8 Ų | 46.8 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.7 | 176.9 | -179.2 | 177.7 | -21 | 0 | 0 | 110.6 | Y52 I77 E78 E79 | Y52-Q98 HydrophobicContact CD1-CB 3.85Å; Y52-Q98 HydrophobicContact CD1-CG 4.05Å; Y52-Q98 HydrophobicContact CE1-CB 3.71Å; Y52-Q98 VanDerWaalsContact CE1-CD 3.4Å; Y52-Q98 HydrophobicContact CE1-CG 3.6Å; Y52-Q98 HydrophobicContact CE2-CG 4.38Å; Y52-Q98 VanDerWaalsContact CZ-OE1 3.28Å; Y52-Q98 PolarHBondContact OH-NE2 2.89Å; Y52-Q98 PolarHBondContact OH-OE1 3.18Å; I77-Q98 WeakPolarHBondContact CA-O 3.31Å; E78-Q98 HydrophobicContact CB-CG 4.16Å; E78-Q98 PolarHBondContact N-O 3Å; E78-Q98 PolarHBondContact OE2-NE2 3.4Å; E79-Q98 HydrophobicContact CB-CB 4.06Å; E79-Q98 PolarHBondContact O-N 3.44Å |
| 99 | F | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 150.7 | 173.3 | -80.9 | -83.3 | 0 | 0 | 0 | 112.7 | R51 L53 F71 I77 I97 K101 A105 A108 | R51-F99 VanDerWaalsContact CZ-O 3.25Å; R51-F99 PolarHBondContact NE-O 3.07Å; R51-F99 PolarHBondContact NH2-O 2.96Å; R51-F99 PolarHBondContact O-N 2.98Å; L53-F99 HydrophobicContact CD1-CD2 4.24Å; L53-F99 HydrophobicContact CD1-CE2 3.8Å; L53-F99 HydrophobicContact CG-CD2 4.49Å; L53-F99 HydrophobicContact CG-CE2 4.46Å; F71-F99 HydrophobicContact CB-CZ 3.93Å; F71-F99 AromaticContact CD1-CE2 3.85Å; F71-F99 HydrophobicContact CD1-CE2 3.85Å; F71-F99 AromaticContact CD1-CZ 3.75Å; F71-F99 HydrophobicContact CD1-CZ 3.75Å; F71-F99 HydrophobicContact CG-CZ 4.32Å; I77-F99 HydrophobicContact CG1-CD1 4.39Å; I77-F99 HydrophobicContact CG1-CE1 3.98Å; I77-F99 HydrophobicContact CG1-CZ 4.35Å; I97-F99 HydrophobicContact CG2-CD2 4.33Å; I97-F99 HydrophobicContact CG2-CE2 3.94Å; I97-F99 HydrophobicContact CG2-CZ 4.45Å; F99-K101 VanDerWaalsContact C-N 3.3Å; F99-K101 PolarHBondContact O-N 3.27Å; F99-A105 HydrophobicContact CB-CB 4.17Å; F99-A105 HydrophobicContact CD2-CB 3.86Å; F99-A105 HydrophobicContact CG-CB 4.22Å; F99-A108 HydrophobicContact CE2-CB 3.94Å; F99-A108 HydrophobicContact CZ-CB 3.78Å |
| 100 | Q | 93.9 | Very high | 93.9 | Very high | 95 Ų | 95 | 45.5 Ų | 45.5 | 44% | 0.444 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -62.5 | -37.3 | 170.5 | -171.9 | 174.4 | 47.7 | 0 | 0 | 112.6 | R51 V76 E78 | R51-Q100 VanDerWaalsContact CZ-O 3.29Å; R51-Q100 PolarHBondContact NE-O 3.44Å; R51-Q100 VanDerWaalsContact NH2-C 3.32Å; R51-Q100 PolarHBondContact NH2-O 3.29Å; V76-Q100 HydrophobicContact CB-CB 4.24Å; V76-Q100 PolarHBondContact O-N 3.31Å; E78-Q100 HydrophobicContact CG-CB 4.1Å; E78-Q100 WeakPolarHBondContact OE1-CG 3.43Å |
| 101 | K | 92.6 | Very high | 94 | Very high | 100 Ų | 100 | 43.4 Ų | 43.4 | 44% | 0.435 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -123.2 | 140.3 | -175.4 | -63.1 | -177.5 | -177.3 | 177.1 | 0 | 111.2 | F99 T103 S104 A105 | F99-K101 VanDerWaalsContact C-N 3.3Å; F99-K101 PolarHBondContact O-N 3.27Å; K101-T103 VanDerWaalsContact C-N 3.28Å; K101-T103 PolarHBondContact O-N 3.49Å; K101-S104 WeakPolarHBondContact O-CB 3.33Å; K101-S104 PolarHBondContact O-N 2.97Å; K101-A105 PolarHBondContact O-N 3.23Å |
| 102 | L | 92.4 | Very high | 94.3 | Very high | 36 Ų | 36 | 35.2 Ų | 35.2 | 19% | 0.188 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61 | -38 | 174.9 | -176.1 | 68.9 | 0 | 0 | 0 | 112 | I46 E49 S50 R51 S104 A105 R106 K139 | I46-L102 HydrophobicContact CD1-CD2 3.94Å; E49-L102 HydrophobicContact CB-CD1 4.24Å; S50-L102 WeakPolarHBondContact O-CD1 3.42Å; R51-L102 HydrophobicContact CG-CB 4.28Å; R51-L102 HydrophobicContact CG-CD1 4.37Å; L102-S104 VanDerWaalsContact C-N 3.3Å; L102-S104 PolarHBondContact O-N 2.87Å; L102-A105 PolarHBondContact O-N 3.25Å; L102-R106 HydrophobicContact CG-CG 4.48Å; L102-R106 VanDerWaalsContact O-CG 3.31Å; L102-R106 WeakPolarHBondContact O-CG 3.38Å; L102-R106 PolarHBondContact O-N 3.48Å; L102-K139 HydrophobicContact CD1-CD 4.39Å; L102-K139 HydrophobicContact CD2-CD 3.99Å; L102-K139 HydrophobicContact CD2-CG 3.98Å |
| 103 | T | 91.8 | Very high | 94.4 | Very high | 32 Ų | 32 | 35.2 Ų | 35.2 | 20% | 0.196 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61 | -39.7 | 177.9 | 50.9 | 0 | 0 | 0 | 0 | 112.1 | K101 R106 A107 | K101-T103 VanDerWaalsContact C-N 3.28Å; K101-T103 PolarHBondContact O-N 3.49Å; T103-R106 PolarHBondContact O-N 2.94Å; T103-A107 WeakPolarHBondContact O-CB 3.43Å; T103-A107 PolarHBondContact O-N 2.92Å |
| 104 | S | 94.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.028 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65 | -43.4 | 175.8 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | Y74 K101 L102 R106 A107 A108 | Y74-S104 PolarHBondContact O-OG 3.49Å; K101-S104 WeakPolarHBondContact O-CB 3.33Å; K101-S104 PolarHBondContact O-N 2.97Å; L102-S104 VanDerWaalsContact C-N 3.3Å; L102-S104 PolarHBondContact O-N 2.87Å; S104-R106 VanDerWaalsContact C-N 3.33Å; S104-R106 PolarHBondContact O-N 2.8Å; S104-A107 PolarHBondContact O-N 3.01Å; S104-A108 WeakPolarHBondContact O-CB 3.25Å; S104-A108 PolarHBondContact O-N 3.07Å |
| 105 | A | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.3 | -43.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S50 L53 F99 K101 L102 A107 A108 K109 | S50-A105 WeakPolarHBondContact O-CB 3.31Å; L53-A105 HydrophobicContact CD1-CB 4.4Å; L53-A105 HydrophobicContact CD2-CB 4.33Å; L53-A105 HydrophobicContact CG-CB 4.25Å; F99-A105 HydrophobicContact CB-CB 4.17Å; F99-A105 HydrophobicContact CD2-CB 3.86Å; F99-A105 HydrophobicContact CG-CB 4.22Å; K101-A105 PolarHBondContact O-N 3.23Å; L102-A105 PolarHBondContact O-N 3.25Å; A105-A107 PolarHBondContact O-N 3.32Å; A105-A108 PolarHBondContact O-N 2.83Å; A105-K109 WeakPolarHBondContact O-CB 3.34Å; A105-K109 PolarHBondContact O-N 2.94Å |
| 106 | R | 94.1 | Very high | 94.3 | Very high | 30 Ų | 30 | 42.9 Ų | 42.9 | 11% | 0.113 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.6 | -43 | 176.6 | -67 | 170.9 | 77.7 | -121.1 | -20 | 111.9 | E49 L102 T103 S104 R110 Y126 D235 M237 | E49-R106 VanDerWaalsContact CD-NE 3.26Å; E49-R106 IonicContact OE1-CZ 3.96Å; E49-R106 IonicContact OE1-NE 2.93Å; E49-R106 PolarHBondContact OE1-NE 3.37Å; E49-R106 IonicContact OE1-NH2 3.2Å; E49-R106 WeakPolarHBondContact OE2-CD 3.38Å; E49-R106 IonicContact OE2-CZ 2.58Å; E49-R106 IonicContact OE2-NE 3.56Å; E49-R106 PolarHBondContact OE2-NE 3.4Å; L102-R106 HydrophobicContact CG-CG 4.48Å; L102-R106 VanDerWaalsContact O-CG 3.31Å; L102-R106 WeakPolarHBondContact O-CG 3.38Å; L102-R106 PolarHBondContact O-N 3.48Å; T103-R106 PolarHBondContact O-N 2.94Å; S104-R106 VanDerWaalsContact C-N 3.33Å; S104-R106 PolarHBondContact O-N 2.8Å; R106-R110 WeakPolarHBondContact O-CB 3.42Å; R106-R110 PolarHBondContact O-N 3.21Å; R106-R110 VanDerWaalsContact O-N 3.11Å; R106-Y126 WeakPolarHBondContact CA-OH 3.06Å; R106-Y126 HydrophobicContact CG-CE1 4.41Å; R106-Y126 WeakPolarHBondContact CG-OH 3.25Å; R106-D235 IonicContact CZ-OD2 3.92Å; R106-D235 IonicContact NH1-OD2 2.77Å; R106-D235 PolarHBondContact NH1-OD2 2.9Å; R106-D235 IonicContact NH2-OD2 3.78Å; R106-D235 PolarHBondContact NH2-OD2 2.82Å; R106-M237 VanDerWaalsContact CZ-CB 3.49Å; R106-M237 PolarHBondContact NH1-O 2.95Å |
| 107 | A | 94.1 | Very high | 94.2 | Very high | 17 Ų | 17 | 42.6 Ų | 42.6 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.4 | -46.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T103 S104 A105 R110 H111 | T103-A107 WeakPolarHBondContact O-CB 3.43Å; T103-A107 PolarHBondContact O-N 2.92Å; S104-A107 PolarHBondContact O-N 3.01Å; A105-A107 PolarHBondContact O-N 3.32Å; A107-R110 PolarHBondContact O-N 3.05Å; A107-H111 PolarHBondContact O-N 2.84Å; A107-H111 PolarHBondContact O-ND1 2.82Å |
| 108 | A | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.2 | -58 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L53 F71 Y74 F99 S104 A105 R110 H111 T112 | L53-A108 HydrophobicContact CD1-CB 3.99Å; F71-A108 HydrophobicContact CD1-CB 3.76Å; F71-A108 HydrophobicContact CE1-CB 3.98Å; Y74-A108 HydrophobicContact CD2-CB 3.89Å; Y74-A108 HydrophobicContact CG-CB 4.01Å; F99-A108 HydrophobicContact CE2-CB 3.94Å; F99-A108 HydrophobicContact CZ-CB 3.78Å; S104-A108 WeakPolarHBondContact O-CB 3.25Å; S104-A108 PolarHBondContact O-N 3.07Å; A105-A108 PolarHBondContact O-N 2.83Å; A108-R110 PolarHBondContact O-N 3.3Å; A108-H111 PolarHBondContact O-N 2.95Å; A108-T112 PolarHBondContact O-N 2.78Å; A108-T112 PolarHBondContact O-OG1 3.3Å |
| 109 | K | 95.1 | Very high | 93.8 | Very high | 23 Ų | 23 | 50.9 Ų | 50.9 | 10% | 0.1 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -52.5 | -35.8 | 178.9 | -170.1 | -94 | -177.4 | -117.8 | 0 | 112.7 | Y44 L53 A105 H111 D113 V124 Y126 | Y44-K109 VanDerWaalsContact OH-CE 3.26Å; Y44-K109 WeakPolarHBondContact OH-CE 3.48Å; Y44-K109 PolarHBondContact OH-NZ 3.03Å; L53-K109 HydrophobicContact CD1-CB 4.23Å; L53-K109 HydrophobicContact CD2-CB 4.13Å; L53-K109 HydrophobicContact CD2-CG 4.43Å; A105-K109 WeakPolarHBondContact O-CB 3.34Å; A105-K109 PolarHBondContact O-N 2.94Å; K109-H111 VanDerWaalsContact C-N 3.32Å; K109-H111 PolarHBondContact O-N 3.28Å; K109-D113 IonicContact NZ-OD2 2.69Å; K109-D113 PolarHBondContact NZ-OD2 3.1Å; K109-D113 WeakPolarHBondContact O-CB 3.43Å; K109-D113 PolarHBondContact O-N 2.69Å; K109-V124 HydrophobicContact CB-CG1 4.22Å; K109-V124 WeakPolarHBondContact CE-O 3.44Å; K109-V124 HydrophobicContact CG-CB 4.44Å; K109-V124 HydrophobicContact CG-CG1 3.98Å; K109-Y126 HydrophobicContact CB-CE1 4.31Å; K109-Y126 HydrophobicContact CD-CE2 3.99Å; K109-Y126 HydrophobicContact CG-CE1 4.4Å; K109-Y126 HydrophobicContact CG-CE2 4.3Å |
| 110 | R | 92.9 | Very high | 93.6 | Very high | 152 Ų | 152 | 52 Ų | 52 | 57% | 0.574 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -69.4 | -27.9 | -179.9 | -156.6 | 176.8 | -167.8 | -179.3 | 1 | 113.7 | R106 A107 A108 | R106-R110 WeakPolarHBondContact O-CB 3.42Å; R106-R110 PolarHBondContact O-N 3.21Å; R106-R110 VanDerWaalsContact O-N 3.11Å; A107-R110 PolarHBondContact O-N 3.05Å; A108-R110 PolarHBondContact O-N 3.3Å |
| 111 | H | 92.2 | Very high | 93.5 | Very high | 113 Ų | 113 | 54.1 Ų | 54.1 | 52% | 0.523 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -107.9 | -25.7 | -173.9 | -66.1 | 85.5 | 0 | 0 | 0 | 114 | Y74 A107 A108 K109 | Y74-H111 HydrophobicContact CE1-CB 3.68Å; Y74-H111 AromaticContact CE1-CG 3.81Å; Y74-H111 AromaticContact CE1-ND1 3.98Å; Y74-H111 VanDerWaalsContact OH-CB 3.26Å; Y74-H111 WeakPolarHBondContact OH-CB 3.37Å; A107-H111 PolarHBondContact O-N 2.84Å; A107-H111 PolarHBondContact O-ND1 2.82Å; A108-H111 PolarHBondContact O-N 2.95Å; K109-H111 VanDerWaalsContact C-N 3.32Å; K109-H111 PolarHBondContact O-N 3.28Å |
| 112 | T | 94.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -94.5 | -21.7 | -178.6 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | L70 F71 Y74 A108 E114 K115 | L70-T112 HydrophobicContact CD2-CG2 4.28Å; L70-T112 HydrophobicContact CG-CG2 4.25Å; F71-T112 HydrophobicContact CE1-CG2 4.12Å; F71-T112 WeakPolarHBondContact CE1-OG1 3.35Å; F71-T112 HydrophobicContact CE2-CG2 4.45Å; F71-T112 HydrophobicContact CZ-CG2 4.08Å; Y74-T112 HydrophobicContact CD2-CG2 4.31Å; Y74-T112 HydrophobicContact CE2-CG2 3.56Å; A108-T112 PolarHBondContact O-N 2.78Å; A108-T112 PolarHBondContact O-OG1 3.3Å; T112-E114 PolarHBondContact O-N 3.35Å; T112-K115 WeakPolarHBondContact O-CB 3.24Å; T112-K115 PolarHBondContact O-N 3.05Å |
| 113 | D | 94.2 | Very high | 93.8 | Very high | 30 Ų | 30 | 48.7 Ų | 48.7 | 16% | 0.16 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 128.7 | 174 | -167.4 | 30.1 | 0 | 0 | 0 | 110.9 | K109 K115 H123 V124 | K109-D113 IonicContact NZ-OD2 2.69Å; K109-D113 PolarHBondContact NZ-OD2 3.1Å; K109-D113 WeakPolarHBondContact O-CB 3.43Å; K109-D113 PolarHBondContact O-N 2.69Å; D113-K115 PolarHBondContact O-N 3.38Å; D113-H123 IonicContact OD1-ND1 3.98Å; D113-V124 HydrophobicContact CB-CB 4.21Å; D113-V124 PolarHBondContact OD1-N 3.22Å |
| 114 | E | 92.8 | Very high | 94 | Very high | 65 Ų | 65 | 47.1 Ų | 47.1 | 30% | 0.304 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 17.5 | -171.5 | -53 | 166.2 | 164.5 | 0 | 0 | 113.6 | T112 L122 | T112-E114 PolarHBondContact O-N 3.35Å; E114-L122 WeakPolarHBondContact CA-O 3.39Å; E114-L122 PolarHBondContact N-O 3.07Å |
| 115 | K | 93.7 | Very high | 94 | Very high | 78 Ų | 78 | 47 Ų | 47 | 34% | 0.339 | 25% | 0.25 | S | C | . | . | trans | -77.9 | 134.9 | 177.3 | -173.8 | 173.6 | 177.8 | 177.2 | 0 | 110 | L70 T112 D113 F117 L122 | L70-K115 HydrophobicContact CD1-CD 4.3Å; L70-K115 HydrophobicContact CD2-CD 4.35Å; T112-K115 WeakPolarHBondContact O-CB 3.24Å; T112-K115 PolarHBondContact O-N 3.05Å; D113-K115 PolarHBondContact O-N 3.38Å; K115-F117 PolarHBondContact O-N 3.47Å; K115-L122 PolarHBondContact O-N 2.7Å | ||
| 116 | S | 94.9 | Very high | 94 | Very high | 86 Ų | 86 | 47.6 Ų | 47.6 | 60% | 0.601 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 129.1 | 172.8 | -174.3 | 0 | 0 | 0 | 0 | 110.9 | G120 | S116-G120 CarbonylContact C-O 3.52Å; S116-G120 VanDerWaalsContact CA-O 3.22Å; S116-G120 WeakPolarHBondContact CA-O 3.49Å; S116-G120 PolarHBondContact OG-O 3.44Å |
| 117 | F | 94.8 | Very high | 94.1 | Very high | 15 Ų | 15 | 46.1 Ų | 46.1 | 7% | 0.066 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 114.2 | -178.9 | -173.5 | -105.2 | 0 | 0 | 0 | 108.7 | V58 V63 E66 L67 L70 K115 G119 G120 L122 | V58-F117 HydrophobicContact CG1-CE1 3.98Å; V63-F117 HydrophobicContact CB-CE1 3.97Å; V63-F117 HydrophobicContact CB-CZ 4.17Å; V63-F117 HydrophobicContact CG1-CD1 4.48Å; V63-F117 HydrophobicContact CG1-CE1 3.39Å; V63-F117 HydrophobicContact CG1-CE2 4.28Å; V63-F117 HydrophobicContact CG1-CZ 3.28Å; E66-F117 HydrophobicContact CB-CZ 4.45Å; L67-F117 HydrophobicContact CB-CZ 3.94Å; L67-F117 HydrophobicContact CD1-CE1 4.17Å; L67-F117 HydrophobicContact CD1-CE2 4.41Å; L67-F117 HydrophobicContact CD1-CZ 4.02Å; L70-F117 HydrophobicContact CD2-CD2 4.17Å; L70-F117 HydrophobicContact CD2-CE2 4.37Å; K115-F117 PolarHBondContact O-N 3.47Å; F117-G119 PolarHBondContact O-N 3.35Å; F117-G119 VanDerWaalsContact O-N 3.13Å; F117-G120 PolarHBondContact N-O 3.03Å; F117-G120 PolarHBondContact O-N 3.49Å; F117-L122 HydrophobicContact CB-CD1 3.83Å; F117-L122 HydrophobicContact CB-CD2 3.77Å; F117-L122 HydrophobicContact CB-CG 3.58Å; F117-L122 HydrophobicContact CD1-CD2 3.88Å; F117-L122 HydrophobicContact CD2-CD1 4.4Å; F117-L122 HydrophobicContact CG-CD1 4.07Å; F117-L122 HydrophobicContact CG-CD2 4.01Å; F117-L122 HydrophobicContact CG-CG 4.17Å |
| 118 | F | 93.3 | Very high | 94.1 | Very high | 114 Ų | 114 | 46.8 Ų | 46.8 | 50% | 0.5 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | 42.1 | 179.2 | -68.7 | -94.3 | 0 | 0 | 0 | 114.7 | P59 V63 E66 G120 | P59-F118 HydrophobicContact CG-CB 4.08Å; V63-F118 HydrophobicContact CG1-CD1 4.21Å; V63-F118 HydrophobicContact CG1-CD2 3.25Å; V63-F118 HydrophobicContact CG1-CE1 4.14Å; V63-F118 HydrophobicContact CG1-CE2 3.17Å; V63-F118 HydrophobicContact CG1-CG 3.8Å; V63-F118 HydrophobicContact CG1-CZ 3.66Å; V63-F118 HydrophobicContact CG2-CG 4.48Å; E66-F118 HydrophobicContact CB-CE2 4.27Å; E66-F118 HydrophobicContact CB-CZ 4.44Å; E66-F118 HydrophobicContact CG-CZ 4.45Å; E66-F118 WeakPolarHBondContact OE1-CZ 3.5Å; E66-F118 WeakPolarHBondContact OE2-CE2 3.45Å; E66-F118 WeakPolarHBondContact OE2-CZ 3.11Å; F118-G120 VanDerWaalsContact C-N 3.27Å; F118-G120 PolarHBondContact O-N 3.12Å |
| 119 | G | 91.2 | Very high | 93.9 | Very high | 78 Ų | 78 | 49.8 Ų | 49.8 | 80% | 0.804 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | -14.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | F117 | F117-G119 PolarHBondContact O-N 3.35Å; F117-G119 VanDerWaalsContact O-N 3.13Å |
| 120 | G | 91.1 | Very high | 93.7 | Very high | 25 Ų | 25 | 52.4 Ų | 52.4 | 26% | 0.258 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 175.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113 | S116 F117 F118 | S116-G120 CarbonylContact C-O 3.52Å; S116-G120 VanDerWaalsContact CA-O 3.22Å; S116-G120 WeakPolarHBondContact CA-O 3.49Å; S116-G120 PolarHBondContact OG-O 3.44Å; F117-G120 PolarHBondContact N-O 3.03Å; F117-G120 PolarHBondContact O-N 3.49Å; F118-G120 VanDerWaalsContact C-N 3.27Å; F118-G120 PolarHBondContact O-N 3.12Å |
| 121 | Q | 93.6 | Very high | 93.7 | Very high | 138 Ų | 138 | 46.3 Ų | 46.3 | 65% | 0.645 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.9 | 168.2 | -66.6 | 178.9 | 15.9 | 0 | 0 | 108.9 | ||
| 122 | L | 95.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | trans | -75.8 | 134.4 | 176.8 | -61.6 | 179.6 | 0 | 0 | 0 | 110.3 | V55 V58 L67 L70 E114 K115 F117 V124 | V55-L122 HydrophobicContact CG1-CD2 4.05Å; V58-L122 HydrophobicContact CG2-CD2 3.83Å; L67-L122 HydrophobicContact CD1-CD1 4.22Å; L70-L122 HydrophobicContact CD2-CD1 4Å; E114-L122 WeakPolarHBondContact CA-O 3.39Å; E114-L122 PolarHBondContact N-O 3.07Å; K115-L122 PolarHBondContact O-N 2.7Å; F117-L122 HydrophobicContact CB-CD1 3.83Å; F117-L122 HydrophobicContact CB-CD2 3.77Å; F117-L122 HydrophobicContact CB-CG 3.58Å; F117-L122 HydrophobicContact CD1-CD2 3.88Å; F117-L122 HydrophobicContact CD2-CD1 4.4Å; F117-L122 HydrophobicContact CG-CD1 4.07Å; F117-L122 HydrophobicContact CG-CD2 4.01Å; F117-L122 HydrophobicContact CG-CG 4.17Å; L122-V124 HydrophobicContact CB-CG2 4.32Å | ||
| 123 | H | 94.8 | Very high | 93.9 | Very high | 20 Ų | 20 | 50.3 Ų | 50.3 | 9% | 0.093 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 118.3 | 168.9 | 173.4 | 55.3 | 0 | 0 | 0 | 109.3 | H20 Q56 D113 C125 | H20-H123 PolarHBondContact O-NE2 2.77Å; Q56-H123 HydrophobicContact CB-CB 4.28Å; Q56-H123 PolarHBondContact N-O 3.07Å; Q56-H123 PolarHBondContact O-N 3.44Å; Q56-H123 PolarHBondContact OE1-CD2 3Å; D113-H123 IonicContact OD1-ND1 3.98Å; H123-C125 PolarHBondContact CE1-SG 3.38Å; H123-C125 PolarHBondContact NE2-SG 3.14Å |
| 124 | V | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 114.5 | -171 | -173.5 | 0 | 0 | 0 | 0 | 110.9 | L53 L54 V55 F71 K109 D113 L122 | L53-V124 HydrophobicContact CB-CG1 4.2Å; L53-V124 HydrophobicContact CD1-CG1 4.04Å; L53-V124 HydrophobicContact CD2-CG1 4.41Å; L53-V124 HydrophobicContact CG-CG1 4.47Å; L54-V124 WeakPolarHBondContact O-CA 3.44Å; V55-V124 HydrophobicContact CG1-CG2 4.31Å; V55-V124 HydrophobicContact CG2-CG1 4.47Å; V55-V124 HydrophobicContact CG2-CG2 4.41Å; F71-V124 HydrophobicContact CZ-CG2 4.23Å; K109-V124 HydrophobicContact CB-CG1 4.22Å; K109-V124 WeakPolarHBondContact CE-O 3.44Å; K109-V124 HydrophobicContact CG-CB 4.44Å; K109-V124 HydrophobicContact CG-CG1 3.98Å; D113-V124 HydrophobicContact CB-CB 4.21Å; D113-V124 PolarHBondContact OD1-N 3.22Å; L122-V124 HydrophobicContact CB-CG2 4.32Å |
| 125 | C | 94.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.014 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 151.9 | 178.4 | -75 | 0 | 0 | 0 | 0 | 111.9 | L53 L54 H123 | L53-C125 CarbonylContact C-O 3.47Å; L53-C125 WeakPolarHBondContact CA-O 3.47Å; L54-C125 PolarHBondContact N-O 3.47Å; L54-C125 PolarHBondContact O-N 2.86Å; H123-C125 PolarHBondContact CE1-SG 3.38Å; H123-C125 PolarHBondContact NE2-SG 3.14Å |
| 126 | Y | 96 | Very high | 93.8 | Very high | 11 Ų | 11 | 53 Ų | 53 | 4% | 0.043 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 144.9 | 163.5 | -62.8 | -68.6 | 0 | 0 | 0 | 109 | Y44 L48 E49 S50 L53 R106 K109 P128 | Y44-Y126 AromaticContact CD1-CD2 3.61Å; Y44-Y126 HydrophobicContact CD1-CD2 3.61Å; Y44-Y126 AromaticContact CD1-CE2 3.82Å; Y44-Y126 HydrophobicContact CD1-CE2 3.82Å; Y44-Y126 HydrophobicContact CD2-CE2 4.3Å; Y44-Y126 AromaticContact CE1-CD2 3.44Å; Y44-Y126 HydrophobicContact CE1-CD2 3.44Å; Y44-Y126 VanDerWaalsContact CE1-CD2 3.44Å; Y44-Y126 AromaticContact CE1-CE2 3.79Å; Y44-Y126 HydrophobicContact CE1-CE2 3.79Å; Y44-Y126 HydrophobicContact CE2-CE2 4.27Å; Y44-Y126 HydrophobicContact CG-CD2 4.33Å; Y44-Y126 HydrophobicContact CG-CE2 4.08Å; L48-Y126 VanDerWaalsContact O-CB 3.24Å; L48-Y126 WeakPolarHBondContact O-CB 3.27Å; E49-Y126 HydrophobicContact CG-CE2 4.16Å; S50-Y126 WeakPolarHBondContact O-CD1 3.47Å; L53-Y126 HydrophobicContact CD2-CD1 3.38Å; L53-Y126 HydrophobicContact CD2-CE1 3.61Å; L53-Y126 HydrophobicContact CD2-CG 4.31Å; R106-Y126 WeakPolarHBondContact CA-OH 3.06Å; R106-Y126 HydrophobicContact CG-CE1 4.41Å; R106-Y126 WeakPolarHBondContact CG-OH 3.25Å; K109-Y126 HydrophobicContact CB-CE1 4.31Å; K109-Y126 HydrophobicContact CD-CE2 3.99Å; K109-Y126 HydrophobicContact CG-CE1 4.4Å; K109-Y126 HydrophobicContact CG-CE2 4.3Å; Y126-P128 VanDerWaalsContact C-CD 3.49Å; Y126-P128 WeakPolarHBondContact O-CD 3.28Å |
| 127 | A | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -125.2 | 71.9 | -178 | 0 | 0 | 0 | 0 | 0 | 109.1 | S50 Y52 L54 L96 E129 Y130 | S50-A127 VanDerWaalsContact OG-C 3.31Å; S50-A127 PolarHBondContact OG-N 2.94Å; S50-A127 VanDerWaalsContact OG-N 3.12Å; S50-A127 PolarHBondContact OG-O 3.37Å; Y52-A127 PolarHBondContact O-N 3.32Å; Y52-A127 VanDerWaalsContact O-N 3.07Å; L54-A127 HydrophobicContact CB-CB 4.15Å; L96-A127 HydrophobicContact CD1-CB 4.1Å; A127-E129 VanDerWaalsContact C-OE2 3.26Å; A127-E129 WeakPolarHBondContact CA-OE1 3.36Å; A127-E129 WeakPolarHBondContact CA-OE2 2.92Å; A127-E129 WeakPolarHBondContact CB-OE1 3.36Å; A127-E129 PolarHBondContact O-N 3.3Å; A127-Y130 HydrophobicContact CB-CD2 3.69Å; A127-Y130 HydrophobicContact CB-CE2 4.17Å; A127-Y130 PolarHBondContact O-N 3.04Å | ||
| 128 | P | 93.7 | Very high | 93.7 | Very high | 30 Ų | 30 | 58.5 Ų | 58.5 | 20% | 0.195 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -66.1 | -17.6 | -177.2 | 28.3 | -36.1 | 0 | 0 | 0 | 113.7 | Y126 Y130 E131 | Y126-P128 VanDerWaalsContact C-CD 3.49Å; Y126-P128 WeakPolarHBondContact O-CD 3.28Å; P128-Y130 PolarHBondContact O-N 3.01Å; P128-E131 WeakPolarHBondContact O-CB 3.41Å; P128-E131 PolarHBondContact O-N 2.72Å |
| 129 | E | 91.7 | Very high | 93.6 | Very high | 63 Ų | 63 | 53.7 Ų | 53.7 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -67.7 | -19 | 176.9 | 66.6 | -75 | 173.5 | 0 | 0 | 114.2 | Y17 H19 H20 A127 | Y17-E129 HydrophobicContact CE2-CG 4.08Å; H19-E129 IonicContact CE1-OE2 2.75Å; H19-E129 IonicContact NE2-OE2 3.12Å; H20-E129 IonicContact CE1-OE1 3.64Å; H20-E129 PolarHBondContact CE1-OE1 3.12Å; H20-E129 IonicContact NE2-OE1 3.92Å; H20-E129 PolarHBondContact NE2-OE1 3.02Å; H20-E129 VanDerWaalsContact NE2-OE1 3.14Å; H20-E129 IonicContact NE2-OE2 3.72Å; A127-E129 VanDerWaalsContact C-OE2 3.26Å; A127-E129 WeakPolarHBondContact CA-OE1 3.36Å; A127-E129 WeakPolarHBondContact CA-OE2 2.92Å; A127-E129 WeakPolarHBondContact CB-OE1 3.36Å; A127-E129 PolarHBondContact O-N 3.3Å |
| 130 | Y | 92.4 | Very high | 93.7 | Very high | 79 Ų | 79 | 53.6 Ų | 53.6 | 31% | 0.31 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -91 | -3.5 | 174.3 | -64.6 | -84.5 | 0 | 0 | 0 | 113.2 | L83 L96 A127 P128 | L83-Y130 VanDerWaalsContact CD2-OH 3.25Å; L83-Y130 WeakPolarHBondContact CD2-OH 3.35Å; L96-Y130 HydrophobicContact CD1-CD2 3.77Å; L96-Y130 HydrophobicContact CD1-CE2 4.1Å; L96-Y130 HydrophobicContact CD1-CG 4.06Å; L96-Y130 HydrophobicContact CD2-CD1 3.63Å; L96-Y130 HydrophobicContact CD2-CD2 4.24Å; L96-Y130 HydrophobicContact CD2-CE1 4.03Å; L96-Y130 HydrophobicContact CD2-CG 3.75Å; A127-Y130 HydrophobicContact CB-CD2 3.69Å; A127-Y130 HydrophobicContact CB-CE2 4.17Å; A127-Y130 PolarHBondContact O-N 3.04Å; P128-Y130 PolarHBondContact O-N 3.01Å |
| 131 | E | 93.3 | Very high | 93.8 | Very high | 24 Ų | 24 | 56 Ų | 56 | 11% | 0.112 | 28% | 0.277 | C | S | . | . | trans | -74.7 | 140.8 | 176.8 | -72.1 | -171.1 | 159.7 | 0 | 0 | 112 | S50 R51 Y52 P128 T136 K139 | S50-E131 WeakPolarHBondContact CA-OE1 3.5Å; S50-E131 VanDerWaalsContact CB-CD 3.44Å; S50-E131 WeakPolarHBondContact CB-OE1 3.4Å; R51-E131 PolarHBondContact N-OE1 2.93Å; Y52-E131 HydrophobicContact CD2-CB 4.47Å; Y52-E131 HydrophobicContact CD2-CG 3.59Å; Y52-E131 HydrophobicContact CE2-CB 4.42Å; Y52-E131 HydrophobicContact CE2-CG 3.9Å; P128-E131 WeakPolarHBondContact O-CB 3.41Å; P128-E131 PolarHBondContact O-N 2.72Å; E131-T136 PolarHBondContact OE2-OG1 3.08Å; E131-K139 VanDerWaalsContact CD-NZ 3.28Å; E131-K139 IonicContact OE1-NZ 3.98Å; E131-K139 PolarHBondContact OE1-NZ 3.24Å; E131-K139 WeakPolarHBondContact OE2-CE 3.45Å; E131-K139 IonicContact OE2-NZ 3.65Å; E131-K139 PolarHBondContact OE2-NZ 3.04Å | ||
| 132 | T | 95.2 | Very high | 93.7 | Very high | 69 Ų | 69 | 52.7 Ų | 52.7 | 42% | 0.423 | 26% | 0.264 | S | S | . | . | trans | -77.4 | 159.5 | 168.7 | 64.8 | 0 | 0 | 0 | 0 | 111.4 | E134 E135 T136 | T132-E134 PolarHBondContact O-N 3.35Å; T132-E135 PolarHBondContact N-OE2 3.42Å; T132-E135 PolarHBondContact O-N 3.3Å; T132-E135 WeakPolarHBondContact OG1-CG 3.34Å; T132-E135 PolarHBondContact OG1-N 3.05Å; T132-E135 PolarHBondContact OG1-OE2 2.9Å; T132-T136 PolarHBondContact O-N 2.91Å; T132-T136 PolarHBondContact O-OG1 2.95Å | ||
| 133 | V | 94.9 | Very high | 93.5 | Very high | 128 Ų | 128 | 56.5 Ų | 56.5 | 78% | 0.776 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60.5 | -35.2 | 176.7 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | K137 | V133-K137 WeakPolarHBondContact O-CB 3.37Å; V133-K137 PolarHBondContact O-N 3.13Å |
| 134 | E | 94.3 | Very high | 93.4 | Very high | 161 Ų | 161 | 64.2 Ų | 64.2 | 75% | 0.752 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.2 | -45.1 | 179 | -62.5 | -174.6 | 173.1 | 0 | 0 | 111.8 | T132 T136 K137 Q138 | T132-E134 PolarHBondContact O-N 3.35Å; E134-T136 VanDerWaalsContact C-N 3.35Å; E134-T136 PolarHBondContact O-N 3.2Å; E134-K137 WeakPolarHBondContact O-CB 3.42Å; E134-K137 PolarHBondContact O-N 2.86Å; E134-Q138 PolarHBondContact O-N 3.47Å |
| 135 | E | 92.5 | Very high | 93.3 | Very high | 25 Ų | 25 | 71.1 Ų | 71.1 | 12% | 0.117 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 176.2 | -70 | 174.4 | 119.7 | 0 | 0 | 112 | R51 Y52 T132 K137 Q138 K139 | R51-E135 IonicContact CZ-OE1 2.94Å; R51-E135 IonicContact NH1-OE1 3.52Å; R51-E135 PolarHBondContact NH1-OE1 3.49Å; Y52-E135 WeakPolarHBondContact CE2-OE2 3.42Å; Y52-E135 PolarHBondContact OH-OE2 3.46Å; T132-E135 PolarHBondContact N-OE2 3.42Å; T132-E135 PolarHBondContact O-N 3.3Å; T132-E135 WeakPolarHBondContact OG1-CG 3.34Å; T132-E135 PolarHBondContact OG1-N 3.05Å; T132-E135 PolarHBondContact OG1-OE2 2.9Å; E135-K137 VanDerWaalsContact C-N 3.3Å; E135-K137 PolarHBondContact O-N 3.41Å; E135-Q138 PolarHBondContact O-N 3.38Å; E135-K139 VanDerWaalsContact O-CB 3.27Å; E135-K139 WeakPolarHBondContact O-CB 3.39Å; E135-K139 PolarHBondContact O-N 3.31Å |
| 136 | T | 92.3 | Very high | 93.1 | Very high | 44 Ų | 44 | 74.2 Ų | 74.2 | 27% | 0.27 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 175.2 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | E131 T132 E134 K139 L140 | E131-T136 PolarHBondContact OE2-OG1 3.08Å; T132-T136 PolarHBondContact O-N 2.91Å; T132-T136 PolarHBondContact O-OG1 2.95Å; E134-T136 VanDerWaalsContact C-N 3.35Å; E134-T136 PolarHBondContact O-N 3.2Å; T136-K139 PolarHBondContact O-N 2.95Å; T136-L140 WeakPolarHBondContact O-CG 3.44Å; T136-L140 PolarHBondContact O-N 2.78Å |
| 137 | K | 93.9 | Very high | 92.9 | Very high | 133 Ų | 133 | 76.2 Ų | 76.2 | 58% | 0.578 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.5 | -46.2 | 175.1 | 179.2 | -177.8 | 176.7 | -176.3 | 0 | 111.1 | V133 E134 E135 L140 Q141 | V133-K137 WeakPolarHBondContact O-CB 3.37Å; V133-K137 PolarHBondContact O-N 3.13Å; E134-K137 WeakPolarHBondContact O-CB 3.42Å; E134-K137 PolarHBondContact O-N 2.86Å; E135-K137 VanDerWaalsContact C-N 3.3Å; E135-K137 PolarHBondContact O-N 3.41Å; K137-L140 PolarHBondContact O-N 2.93Å; K137-Q141 WeakPolarHBondContact O-CG 3.37Å; K137-Q141 PolarHBondContact O-N 3.43Å |
| 138 | Q | 92.6 | Very high | 92.8 | Very high | 82 Ų | 82 | 79.8 Ų | 79.8 | 38% | 0.383 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 178.5 | -176.3 | 56.2 | 35.5 | 0 | 0 | 111.4 | E134 E135 L140 Q141 D142 | E134-Q138 PolarHBondContact O-N 3.47Å; E135-Q138 PolarHBondContact O-N 3.38Å; Q138-L140 VanDerWaalsContact C-N 3.34Å; Q138-L140 PolarHBondContact O-N 2.87Å; Q138-Q141 PolarHBondContact O-N 3.25Å; Q138-Q141 VanDerWaalsContact O-N 3.14Å; Q138-D142 VanDerWaalsContact NE2-CG 3.26Å; Q138-D142 PolarHBondContact NE2-OD1 3.08Å; Q138-D142 PolarHBondContact NE2-OD2 2.9Å; Q138-D142 PolarHBondContact O-N 3.17Å |
| 139 | K | 92.1 | Very high | 92.7 | Very high | 14 Ų | 14 | 85.6 Ų | 85.6 | 6% | 0.061 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -53.8 | -46.4 | 174.8 | 174.8 | 172 | 73.3 | -177.7 | 0 | 112.5 | I46 E49 L102 E131 E135 T136 R143 | I46-K139 HydrophobicContact CD1-CD 4.27Å; I46-K139 HydrophobicContact CD1-CG 3.84Å; I46-K139 HydrophobicContact CG1-CD 4.44Å; I46-K139 HydrophobicContact CG1-CG 4.02Å; I46-K139 WeakPolarHBondContact O-CD 3.39Å; I46-K139 WeakPolarHBondContact O-CE 3.43Å; I46-K139 PolarHBondContact O-NZ 3.27Å; E49-K139 PolarHBondContact O-NZ 2.84Å; L102-K139 HydrophobicContact CD1-CD 4.39Å; L102-K139 HydrophobicContact CD2-CD 3.99Å; L102-K139 HydrophobicContact CD2-CG 3.98Å; E131-K139 VanDerWaalsContact CD-NZ 3.28Å; E131-K139 IonicContact OE1-NZ 3.98Å; E131-K139 PolarHBondContact OE1-NZ 3.24Å; E131-K139 WeakPolarHBondContact OE2-CE 3.45Å; E131-K139 IonicContact OE2-NZ 3.65Å; E131-K139 PolarHBondContact OE2-NZ 3.04Å; E135-K139 VanDerWaalsContact O-CB 3.27Å; E135-K139 WeakPolarHBondContact O-CB 3.39Å; E135-K139 PolarHBondContact O-N 3.31Å; T136-K139 PolarHBondContact O-N 2.95Å; K139-R143 WeakPolarHBondContact O-CB 3.33Å; K139-R143 PolarHBondContact O-N 3.05Å |
| 140 | L | 92.9 | Very high | 92.6 | Very high | 76 Ų | 76 | 84.1 Ų | 84.1 | 40% | 0.398 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.3 | -38.6 | 177.8 | -71 | 177.2 | 0 | 0 | 0 | 112.7 | I46 T136 K137 Q138 R143 R144 | I46-L140 HydrophobicContact CG1-CD2 4.27Å; I46-L140 HydrophobicContact CG2-CD2 3.83Å; T136-L140 WeakPolarHBondContact O-CG 3.44Å; T136-L140 PolarHBondContact O-N 2.78Å; K137-L140 PolarHBondContact O-N 2.93Å; Q138-L140 VanDerWaalsContact C-N 3.34Å; Q138-L140 PolarHBondContact O-N 2.87Å; L140-R143 PolarHBondContact O-N 3.39Å; L140-R144 WeakPolarHBondContact O-CB 3.34Å; L140-R144 PolarHBondContact O-N 3.12Å |
| 141 | Q | 93.4 | Very high | 92.5 | Very high | 74 Ų | 74 | 83.8 Ų | 83.8 | 35% | 0.346 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 175.3 | -73 | -177.6 | 11.4 | 0 | 0 | 111.7 | K137 Q138 R143 R144 R145 | K137-Q141 WeakPolarHBondContact O-CG 3.37Å; K137-Q141 PolarHBondContact O-N 3.43Å; Q138-Q141 PolarHBondContact O-N 3.25Å; Q138-Q141 VanDerWaalsContact O-N 3.14Å; Q141-R143 VanDerWaalsContact C-N 3.33Å; Q141-R143 PolarHBondContact O-N 2.81Å; Q141-R144 WeakPolarHBondContact O-CB 3.48Å; Q141-R144 PolarHBondContact O-N 3.32Å; Q141-R144 VanDerWaalsContact O-N 3.15Å; Q141-R145 WeakPolarHBondContact O-CG 3.35Å; Q141-R145 PolarHBondContact O-N 3.4Å |
| 142 | D | 91.6 | Very high | 92.3 | Very high | 69 Ų | 69 | 91 Ų | 91 | 37% | 0.369 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 178 | -71.3 | -25.6 | 0 | 0 | 0 | 111.5 | Q138 R144 R145 Y146 | Q138-D142 VanDerWaalsContact NE2-CG 3.26Å; Q138-D142 PolarHBondContact NE2-OD1 3.08Å; Q138-D142 PolarHBondContact NE2-OD2 2.9Å; Q138-D142 PolarHBondContact O-N 3.17Å; D142-R144 PolarHBondContact O-N 2.9Å; D142-R145 PolarHBondContact O-N 3.33Å; D142-R145 IonicContact OD1-CZ 3.78Å; D142-R145 IonicContact OD1-NH1 2.88Å; D142-R145 PolarHBondContact OD1-NH1 2.91Å; D142-Y146 PolarHBondContact O-N 3.48Å |
| 143 | R | 91.3 | Very high | 92 | Very high | 83 Ų | 83 | 90 Ų | 90 | 31% | 0.313 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 171.1 | -179.3 | 62.2 | 178.2 | 116.6 | 3.5 | 111.7 | I46 K139 L140 Q141 Y146 V147 | I46-R143 HydrophobicContact CD1-CB 4.1Å; I46-R143 HydrophobicContact CD1-CG 4.28Å; I46-R143 HydrophobicContact CG1-CB 4.01Å; I46-R143 HydrophobicContact CG1-CG 4.06Å; K139-R143 WeakPolarHBondContact O-CB 3.33Å; K139-R143 PolarHBondContact O-N 3.05Å; L140-R143 PolarHBondContact O-N 3.39Å; Q141-R143 VanDerWaalsContact C-N 3.33Å; Q141-R143 PolarHBondContact O-N 2.81Å; R143-Y146 VanDerWaalsContact NH1-CD1 3.33Å; R143-Y146 PolarHBondContact O-N 2.82Å; R143-V147 VanDerWaalsContact CZ-CG2 3.47Å; R143-V147 WeakPolarHBondContact O-CG2 2.97Å; R143-V147 PolarHBondContact O-N 2.75Å |
| 144 | R | 93.4 | Very high | 91.6 | Very high | 181 Ų | 181 | 86.3 Ų | 86.3 | 68% | 0.683 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61.9 | -42.9 | 177.9 | -174.2 | 177.3 | -177.2 | -175.9 | -0.2 | 111.6 | L140 Q141 D142 V147 N148 | L140-R144 WeakPolarHBondContact O-CB 3.34Å; L140-R144 PolarHBondContact O-N 3.12Å; Q141-R144 WeakPolarHBondContact O-CB 3.48Å; Q141-R144 PolarHBondContact O-N 3.32Å; Q141-R144 VanDerWaalsContact O-N 3.15Å; D142-R144 PolarHBondContact O-N 2.9Å; R144-V147 PolarHBondContact O-N 2.81Å; R144-N148 WeakPolarHBondContact O-CB 3.49Å; R144-N148 PolarHBondContact O-N 3.45Å; R144-N148 PolarHBondContact O-ND2 3.17Å |
| 145 | R | 92.9 | Very high | 91.1 | Very high | 146 Ų | 146 | 81.2 Ų | 81.2 | 55% | 0.551 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -58.5 | -47.9 | 174.6 | -71.7 | 171.2 | -175.1 | 167.9 | -5.2 | 110.9 | Q141 D142 N148 W149 | Q141-R145 WeakPolarHBondContact O-CG 3.35Å; Q141-R145 PolarHBondContact O-N 3.4Å; D142-R145 PolarHBondContact O-N 3.33Å; D142-R145 IonicContact OD1-CZ 3.78Å; D142-R145 IonicContact OD1-NH1 2.88Å; D142-R145 PolarHBondContact OD1-NH1 2.91Å; R145-N148 PolarHBondContact O-N 3.04Å; R145-W149 WeakPolarHBondContact O-CB 3.49Å; R145-W149 PolarHBondContact O-N 2.81Å |
| 146 | Y | 90.3 | Very high | 90.7 | Very high | 67 Ų | 67 | 85.4 Ų | 85.4 | 26% | 0.263 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.6 | -44 | 177.8 | 175.7 | -90.1 | 0 | 0 | 0 | 112.5 | D142 R143 N148 W149 A150 K236 G238 | D142-Y146 PolarHBondContact O-N 3.48Å; R143-Y146 VanDerWaalsContact NH1-CD1 3.33Å; R143-Y146 PolarHBondContact O-N 2.82Å; Y146-N148 VanDerWaalsContact C-N 3.35Å; Y146-N148 PolarHBondContact O-N 3.35Å; Y146-W149 HydrophobicContact CD2-CE3 4.37Å; Y146-W149 HydrophobicContact CE2-CE3 4.32Å; Y146-W149 HydrophobicContact CE2-CZ3 4.25Å; Y146-W149 PolarHBondContact O-N 3.02Å; Y146-A150 HydrophobicContact CE1-CB 4.34Å; Y146-A150 VanDerWaalsContact O-CB 3.3Å; Y146-A150 WeakPolarHBondContact O-CB 2.95Å; Y146-A150 PolarHBondContact O-N 2.89Å; Y146-K236 PolarHBondContact OH-O 3.11Å; Y146-K236 VanDerWaalsContact OH-O 3.1Å; Y146-G238 PolarHBondContact OH-N 3.15Å |
| 147 | V | 90.8 | Very high | 90.2 | Very high | 52 Ų | 52 | 88.1 Ų | 88.1 | 32% | 0.315 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -56.9 | -51 | 175.1 | 174.4 | 0 | 0 | 0 | 0 | 110.1 | R143 R144 W149 A150 S151 | R143-V147 VanDerWaalsContact CZ-CG2 3.47Å; R143-V147 WeakPolarHBondContact O-CG2 2.97Å; R143-V147 PolarHBondContact O-N 2.75Å; R144-V147 PolarHBondContact O-N 2.81Å; V147-W149 VanDerWaalsContact C-N 3.29Å; V147-W149 PolarHBondContact O-N 3.16Å; V147-A150 PolarHBondContact O-N 3.28Å; V147-S151 WeakPolarHBondContact O-CB 3.21Å; V147-S151 PolarHBondContact O-N 3.15Å; V147-S151 PolarHBondContact O-OG 3.45Å; V147-S151 VanDerWaalsContact O-OG 3.09Å |
| 148 | N | 92.6 | Very high | 89.4 | Confident | 76 Ų | 76 | 88.2 Ų | 88.2 | 41% | 0.406 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.2 | -42.6 | -178.6 | -70.5 | -16.3 | 0 | 0 | 0 | 111.7 | R144 R145 Y146 R152 | R144-N148 WeakPolarHBondContact O-CB 3.49Å; R144-N148 PolarHBondContact O-N 3.45Å; R144-N148 PolarHBondContact O-ND2 3.17Å; R145-N148 PolarHBondContact O-N 3.04Å; Y146-N148 VanDerWaalsContact C-N 3.35Å; Y146-N148 PolarHBondContact O-N 3.35Å; N148-R152 VanDerWaalsContact O-CG 3.23Å; N148-R152 WeakPolarHBondContact O-CG 3.46Å; N148-R152 PolarHBondContact O-N 3.4Å; N148-R152 VanDerWaalsContact O-N 3.15Å |
| 149 | W | 91.9 | Very high | 88.7 | Confident | 152 Ų | 152 | 87.6 Ų | 87.6 | 58% | 0.576 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.2 | -49.8 | 176.1 | 176.5 | 85.5 | 0 | 0 | 0 | 111.8 | R145 Y146 V147 S151 R152 N153 | R145-W149 WeakPolarHBondContact O-CB 3.49Å; R145-W149 PolarHBondContact O-N 2.81Å; Y146-W149 HydrophobicContact CD2-CE3 4.37Å; Y146-W149 HydrophobicContact CE2-CE3 4.32Å; Y146-W149 HydrophobicContact CE2-CZ3 4.25Å; Y146-W149 PolarHBondContact O-N 3.02Å; V147-W149 VanDerWaalsContact C-N 3.29Å; V147-W149 PolarHBondContact O-N 3.16Å; W149-S151 PolarHBondContact O-N 2.76Å; W149-R152 PolarHBondContact O-N 3.25Å; W149-N153 WeakPolarHBondContact CH2-ND2 3.36Å; W149-N153 WeakPolarHBondContact CZ2-ND2 3.26Å; W149-N153 PolarHBondContact NE1-ND2 3.1Å; W149-N153 PolarHBondContact O-N 2.98Å; W149-N153 PolarHBondContact O-OD1 3.07Å |
| 150 | A | 89.3 | Confident | 87.8 | Confident | 32 Ų | 32 | 92 Ų | 92 | 26% | 0.264 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y146 V147 N153 A154 | Y146-A150 HydrophobicContact CE1-CB 4.34Å; Y146-A150 VanDerWaalsContact O-CB 3.3Å; Y146-A150 WeakPolarHBondContact O-CB 2.95Å; Y146-A150 PolarHBondContact O-N 2.89Å; V147-A150 PolarHBondContact O-N 3.28Å; A150-N153 PolarHBondContact O-N 3.43Å; A150-A154 VanDerWaalsContact O-CB 3.31Å; A150-A154 WeakPolarHBondContact O-CB 3.46Å; A150-A154 PolarHBondContact O-N 2.92Å |
| 151 | S | 90.3 | Very high | 86.8 | Confident | 71 Ų | 71 | 94.1 Ų | 94.1 | 50% | 0.497 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 176.6 | -66.2 | 0 | 0 | 0 | 0 | 112.4 | V147 W149 A155 | V147-S151 WeakPolarHBondContact O-CB 3.21Å; V147-S151 PolarHBondContact O-N 3.15Å; V147-S151 PolarHBondContact O-OG 3.45Å; V147-S151 VanDerWaalsContact O-OG 3.09Å; W149-S151 PolarHBondContact O-N 2.76Å; S151-A155 WeakPolarHBondContact O-CB 3.34Å; S151-A155 PolarHBondContact O-N 3.03Å |
| 152 | R | 90.9 | Very high | 85.6 | Confident | 176 Ų | 176 | 93.2 Ų | 93.2 | 66% | 0.664 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.7 | -45.2 | 175.8 | -73.9 | 171.4 | -176.9 | -175.2 | -0.2 | 111.6 | N148 W149 A155 Q156 | N148-R152 VanDerWaalsContact O-CG 3.23Å; N148-R152 WeakPolarHBondContact O-CG 3.46Å; N148-R152 PolarHBondContact O-N 3.4Å; N148-R152 VanDerWaalsContact O-N 3.15Å; W149-R152 PolarHBondContact O-N 3.25Å; R152-A155 PolarHBondContact O-N 2.77Å; R152-Q156 WeakPolarHBondContact O-CG 3.26Å; R152-Q156 PolarHBondContact O-N 3.28Å |
| 153 | N | 87.1 | Confident | 84.2 | Confident | 49 Ų | 49 | 95.6 Ų | 95.6 | 26% | 0.262 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 179.1 | -67.5 | -0.9 | 0 | 0 | 0 | 111.9 | W149 A150 A155 Q156 L157 | W149-N153 WeakPolarHBondContact CH2-ND2 3.36Å; W149-N153 WeakPolarHBondContact CZ2-ND2 3.26Å; W149-N153 PolarHBondContact NE1-ND2 3.1Å; W149-N153 PolarHBondContact O-N 2.98Å; W149-N153 PolarHBondContact O-OD1 3.07Å; A150-N153 PolarHBondContact O-N 3.43Å; N153-A155 VanDerWaalsContact C-N 3.34Å; N153-A155 PolarHBondContact O-N 3.05Å; N153-Q156 PolarHBondContact O-N 2.82Å; N153-L157 WeakPolarHBondContact O-CG 3.46Å; N153-L157 PolarHBondContact O-N 2.74Å |
| 154 | A | 87 | Confident | 82.7 | Confident | 50 Ų | 50 | 95.7 Ų | 95.7 | 41% | 0.413 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A150 L157 H158 | A150-A154 VanDerWaalsContact O-CB 3.31Å; A150-A154 WeakPolarHBondContact O-CB 3.46Å; A150-A154 PolarHBondContact O-N 2.92Å; A154-L157 PolarHBondContact O-N 2.92Å; A154-H158 PolarHBondContact O-N 3.05Å |
| 155 | A | 84.4 | Confident | 81.1 | Confident | 54 Ų | 54 | 92.2 Ų | 92.2 | 45% | 0.446 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S151 R152 N153 L157 H158 S159 | S151-A155 WeakPolarHBondContact O-CB 3.34Å; S151-A155 PolarHBondContact O-N 3.03Å; R152-A155 PolarHBondContact O-N 2.77Å; N153-A155 VanDerWaalsContact C-N 3.34Å; N153-A155 PolarHBondContact O-N 3.05Å; A155-L157 VanDerWaalsContact C-N 3.35Å; A155-L157 PolarHBondContact O-N 3.43Å; A155-H158 PolarHBondContact O-N 3.48Å; A155-S159 PolarHBondContact O-N 3.37Å; A155-S159 PolarHBondContact O-OG 3.4Å |
| 156 | Q | 83.9 | Confident | 79.4 | Confident | 113 Ų | 113 | 90.1 Ų | 90.1 | 53% | 0.528 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 176.7 | -73.2 | 176.1 | 1.7 | 0 | 0 | 112.8 | R152 N153 S159 Q160 | R152-Q156 WeakPolarHBondContact O-CG 3.26Å; R152-Q156 PolarHBondContact O-N 3.28Å; N153-Q156 PolarHBondContact O-N 2.82Å; Q156-S159 PolarHBondContact O-N 2.84Å; Q156-Q160 WeakPolarHBondContact O-CG 3.03Å; Q156-Q160 PolarHBondContact O-N 2.86Å; Q156-Q160 PolarHBondContact O-NE2 3.4Å |
| 157 | L | 81.1 | Confident | 77.6 | Confident | 100 Ų | 100 | 93.6 Ų | 93.6 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.7 | -39.6 | 175.7 | -70.9 | 174.2 | 0 | 0 | 0 | 111.9 | N153 A154 A155 Q161 | N153-L157 WeakPolarHBondContact O-CG 3.46Å; N153-L157 PolarHBondContact O-N 2.74Å; A154-L157 PolarHBondContact O-N 2.92Å; A155-L157 VanDerWaalsContact C-N 3.35Å; A155-L157 PolarHBondContact O-N 3.43Å; L157-Q161 WeakPolarHBondContact O-CG 3.2Å; L157-Q161 PolarHBondContact O-N 3.06Å |
| 158 | H | 78.3 | Confident | 75.9 | Confident | 136 Ų | 136 | 95.3 Ų | 95.3 | 63% | 0.63 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.3 | -42.1 | 175 | -83.1 | -161.9 | 0 | 0 | 0 | 112.3 | A154 A155 Q161 A162 | A154-H158 PolarHBondContact O-N 3.05Å; A155-H158 PolarHBondContact O-N 3.48Å; H158-Q161 PolarHBondContact O-N 2.72Å; H158-A162 PolarHBondContact O-N 3.48Å |
| 159 | S | 76.8 | Confident | 74 | Confident | 68 Ų | 68 | 96.6 Ų | 96.6 | 48% | 0.476 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 175.5 | -65.5 | 0 | 0 | 0 | 0 | 111.9 | A155 Q156 Q161 A162 E163 | A155-S159 PolarHBondContact O-N 3.37Å; A155-S159 PolarHBondContact O-OG 3.4Å; Q156-S159 PolarHBondContact O-N 2.84Å; S159-Q161 PolarHBondContact O-N 3.21Å; S159-A162 PolarHBondContact O-N 2.87Å; S159-E163 WeakPolarHBondContact O-CG 3.4Å; S159-E163 PolarHBondContact O-N 3.01Å |
| 160 | Q | 73.9 | Confident | 72 | Confident | 107 Ų | 107 | 94.2 Ų | 94.2 | 50% | 0.5 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64 | -37.9 | 177.3 | -74.7 | 168.9 | 74.7 | 0 | 0 | 112.8 | Q156 A162 E163 V164 | Q156-Q160 WeakPolarHBondContact O-CG 3.03Å; Q156-Q160 PolarHBondContact O-N 2.86Å; Q156-Q160 PolarHBondContact O-NE2 3.4Å; Q160-A162 VanDerWaalsContact C-N 3.34Å; Q160-E163 PolarHBondContact O-N 3.25Å; Q160-V164 VanDerWaalsContact O-CG2 3.25Å; Q160-V164 WeakPolarHBondContact O-CG2 3.15Å; Q160-V164 PolarHBondContact O-N 2.69Å |
| 161 | Q | 71.1 | Confident | 70.1 | Confident | 120 Ų | 120 | 96.8 Ų | 96.8 | 56% | 0.561 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.7 | -32.4 | 174.7 | -73.5 | 177.7 | 22 | 0 | 0 | 112.6 | L157 H158 S159 N165 | L157-Q161 WeakPolarHBondContact O-CG 3.2Å; L157-Q161 PolarHBondContact O-N 3.06Å; H158-Q161 PolarHBondContact O-N 2.72Å; S159-Q161 PolarHBondContact O-N 3.21Å; Q161-N165 WeakPolarHBondContact O-CB 3.36Å; Q161-N165 PolarHBondContact O-N 3.26Å; Q161-N165 VanDerWaalsContact O-N 3.12Å; Q161-N165 PolarHBondContact O-ND2 3.3Å |
| 162 | A | 68.8 | Low | 67.8 | Low | 55 Ų | 55 | 99.4 Ų | 99.4 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.3 | -39.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | H158 S159 Q160 N165 T166 | H158-A162 PolarHBondContact O-N 3.48Å; S159-A162 PolarHBondContact O-N 2.87Å; Q160-A162 VanDerWaalsContact C-N 3.34Å; A162-N165 PolarHBondContact O-N 3.09Å; A162-T166 WeakPolarHBondContact O-CB 3.08Å; A162-T166 PolarHBondContact O-N 2.82Å; A162-T166 VanDerWaalsContact O-N 3.08Å; A162-T166 PolarHBondContact O-OG1 2.9Å |
| 163 | E | 62 | Low | 65.3 | Low | 120 Ų | 120 | 97.8 Ų | 97.8 | 56% | 0.561 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.9 | -45.6 | 175.4 | -72.4 | 173.6 | -176.7 | 0 | 0 | 111.5 | S159 Q160 N165 T166 E167 | S159-E163 WeakPolarHBondContact O-CG 3.4Å; S159-E163 PolarHBondContact O-N 3.01Å; Q160-E163 PolarHBondContact O-N 3.25Å; E163-N165 VanDerWaalsContact C-N 3.33Å; E163-N165 PolarHBondContact O-N 3.25Å; E163-T166 PolarHBondContact O-N 2.71Å; E163-E167 PolarHBondContact O-N 3.36Å |
| 164 | V | 59.8 | Low | 63.4 | Low | 85 Ų | 85 | 102.1 Ų | 102.1 | 52% | 0.515 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.2 | -37.3 | 176.4 | 172.4 | 0 | 0 | 0 | 0 | 112.5 | Q160 T166 S168 | Q160-V164 VanDerWaalsContact O-CG2 3.25Å; Q160-V164 WeakPolarHBondContact O-CG2 3.15Å; Q160-V164 PolarHBondContact O-N 2.69Å; V164-T166 VanDerWaalsContact C-N 3.33Å; V164-S168 WeakPolarHBondContact O-CB 3.44Å; V164-S168 PolarHBondContact O-N 3.24Å; V164-S168 VanDerWaalsContact O-N 3.07Å; V164-S168 PolarHBondContact O-OG 3.37Å |
| 165 | N | 59.7 | Low | 61.1 | Low | 108 Ų | 108 | 111 Ų | 111 | 58% | 0.578 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -71.7 | -27.3 | 175.6 | -73.8 | -16 | 0 | 0 | 0 | 112.9 | Q161 A162 E163 S169 | Q161-N165 WeakPolarHBondContact O-CB 3.36Å; Q161-N165 PolarHBondContact O-N 3.26Å; Q161-N165 VanDerWaalsContact O-N 3.12Å; Q161-N165 PolarHBondContact O-ND2 3.3Å; A162-N165 PolarHBondContact O-N 3.09Å; E163-N165 VanDerWaalsContact C-N 3.33Å; E163-N165 PolarHBondContact O-N 3.25Å; N165-S169 PolarHBondContact O-OG 3.13Å |
| 166 | T | 56.9 | Low | 59.2 | Low | 102 Ų | 102 | 115.1 Ų | 115.1 | 63% | 0.626 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -76.2 | -38.9 | 177.4 | -54 | 0 | 0 | 0 | 0 | 111 | A162 E163 V164 S169 | A162-T166 WeakPolarHBondContact O-CB 3.08Å; A162-T166 PolarHBondContact O-N 2.82Å; A162-T166 VanDerWaalsContact O-N 3.08Å; A162-T166 PolarHBondContact O-OG1 2.9Å; E163-T166 PolarHBondContact O-N 2.71Å; V164-T166 VanDerWaalsContact C-N 3.33Å; T166-S169 PolarHBondContact O-N 3.43Å |
| 167 | E | 53.9 | Low | 56.9 | Low | 140 Ų | 140 | 114.5 Ų | 114.5 | 65% | 0.654 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -75.1 | -30.8 | 177.3 | -67.2 | 179.7 | 177 | 0 | 0 | 113.3 | E163 S169 S170 | E163-E167 PolarHBondContact O-N 3.36Å; E167-S169 PolarHBondContact O-N 2.92Å; E167-S170 PolarHBondContact O-N 2.85Å |
| 168 | S | 53.5 | Low | 54.6 | Low | 87 Ų | 87 | 118.6 Ų | 118.6 | 61% | 0.608 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -10.1 | 175.5 | -55.6 | 0 | 0 | 0 | 0 | 113.7 | V164 | V164-S168 WeakPolarHBondContact O-CB 3.44Å; V164-S168 PolarHBondContact O-N 3.24Å; V164-S168 VanDerWaalsContact O-N 3.07Å; V164-S168 PolarHBondContact O-OG 3.37Å |
| 169 | S | 52.5 | Low | 52.5 | Low | 103 Ų | 103 | 116.6 Ų | 116.6 | 72% | 0.72 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -4 | -179.5 | -55 | 0 | 0 | 0 | 0 | 113.2 | N165 T166 E167 | N165-S169 PolarHBondContact O-OG 3.13Å; T166-S169 PolarHBondContact O-N 3.43Å; E167-S169 PolarHBondContact O-N 2.92Å |
| 170 | S | 50 | Low | 50.8 | Low | 102 Ų | 102 | 119.6 Ų | 119.6 | 71% | 0.713 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -109.1 | 16.8 | -171.9 | 84.6 | 0 | 0 | 0 | 0 | 115.4 | E167 | E167-S170 PolarHBondContact O-N 2.85Š|
| 171 | S | 50.7 | Low | 48.8 | Very low | 86 Ų | 86 | 123.5 Ų | 123.5 | 60% | 0.601 | 71% | 0.709 | S | S | * | * | trans | -135.6 | 130.1 | 174.2 | 63.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 172 | T | 40.7 | Very low | 46.9 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 84.4 | 123.1 | -176.7 | 59.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 173 | D | 39.1 | Very low | 45.2 | Very low | 142 Ų | 142 | 132 Ų | 132 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | cis | -160 | 140.6 | 0.4 | -93.7 | -36.3 | 0 | 0 | 0 | 108.8 | R175 | D173-R175 PolarHBondContact O-N 2.95Š| ||
| 174 | T | 47.7 | Very low | 43.8 | Very low | 140 Ų | 140 | 136 Ų | 136 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | trans | -64.4 | 106.2 | 158.7 | 41.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 175 | R | 39.3 | Very low | 42.3 | Very low | 236 Ų | 236 | 139.4 Ų | 139.4 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | trans | -146.6 | 114.8 | 156.4 | -104.4 | -178.6 | 162.6 | 175.6 | -6.8 | 111.7 | D173 | D173-R175 PolarHBondContact O-N 2.95Š| ||
| 176 | T | 42.7 | Very low | 42 | Very low | 142 Ų | 142 | 139 Ų | 139 | 87% | 0.871 | 78% | 0.775 | S | S | * | * | trans | -35.5 | 129.2 | 165.8 | -26.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 177 | A | 36.8 | Very low | 40.8 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -148.5 | 111.3 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 178 | E | 33.1 | Very low | 39.6 | Very low | 187 Ų | 187 | 143 Ų | 143 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -59 | 146 | 175.1 | -61.1 | 180 | 143.9 | 0 | 0 | 112.1 | ||||
| 179 | A | 33.1 | Very low | 38.5 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | -123.6 | 145.9 | 154.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 180 | P | 41.8 | Very low | 37.5 | Very low | 131 Ų | 131 | 148.3 Ų | 148.3 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -89.2 | 155.8 | -146.1 | 33.5 | -35 | 0 | 0 | 0 | 116 | ||||
| 181 | K | 32.8 | Very low | 36.7 | Very low | 188 Ų | 188 | 152.8 Ų | 152.8 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | trans | -23.8 | 137.7 | 169.9 | -63.7 | 171.1 | 177.9 | 175.1 | 0 | 118 | ||||
| 182 | M | 29.3 | Very low | 35.8 | Very low | 183 Ų | 183 | 155.8 Ų | 155.8 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | -140.7 | 122.6 | 125.7 | -102.8 | -159.2 | 72.9 | 0 | 0 | 110.9 | |||||
| 183 | Q | 34.8 | Very low | 35.5 | Very low | 171 Ų | 171 | 157 Ų | 157 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | trans | -78.1 | 141.1 | 172.7 | -71.6 | 167.9 | -68 | 0 | 0 | 110.6 | ||||
| 184 | K | 31.2 | Very low | 35.3 | Very low | 205 Ų | 205 | 155.3 Ų | 155.3 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | -168.3 | 118.1 | 130.2 | -103.8 | 172.5 | -175.4 | -175.9 | 0 | 109.7 | ||||
| 185 | N | 28.4 | Very low | 34.7 | Very low | 155 Ų | 155 | 155.9 Ų | 155.9 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -96.2 | -178 | 161.5 | -112.8 | 8 | 0 | 0 | 0 | 107.5 | ||||
| 186 | P | 53.7 | Low | 34.4 | Very low | 100 Ų | 100 | 149.2 Ų | 149.2 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | cis | -133.6 | 174.5 | -37.6 | 32.4 | -13.6 | 0 | 0 | 0 | 111.3 | ||||
| 187 | E | 30.8 | Very low | 34.3 | Very low | 163 Ų | 163 | 149.4 Ų | 149.4 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | 159 | 139.4 | 125.6 | -93.6 | -161.7 | 151.9 | 0 | 0 | 115.5 | |||||
| 188 | E | 30.5 | Very low | 34.4 | Very low | 163 Ų | 163 | 154.1 Ų | 154.1 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | 70 | 117 | 141.2 | -73.4 | -168.4 | 144.5 | 0 | 0 | 124.4 | ||||
| 189 | A | 30.2 | Very low | 34.9 | Very low | 81 Ų | 81 | 152.6 Ų | 152.6 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | 83.5 | 113.8 | 120.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 190 | R | 31.3 | Very low | 35.1 | Very low | 220 Ų | 220 | 150.8 Ų | 150.8 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | 82.4 | 134.2 | 125 | -83 | -177.2 | 162.6 | 162 | -2.3 | 121.1 | |||||
| 191 | R | 33.1 | Very low | 35.3 | Very low | 196 Ų | 196 | 154.1 Ų | 154.1 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | trans | 81.7 | 150.6 | 152.2 | -48.5 | -136.3 | -169.9 | -153.2 | 3.8 | 116.7 | ||||
| 192 | E | 31.9 | Very low | 36.3 | Very low | 150 Ų | 150 | 151 Ų | 151 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | cis | -176.8 | 162.2 | -24.5 | -111 | 169.3 | -170.2 | 0 | 0 | 104 | ||||
| 193 | N | 33.5 | Very low | 37.5 | Very low | 150 Ų | 150 | 150.6 Ų | 150.6 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | trans | 76 | 148.6 | 158.5 | -106.6 | 7.7 | 0 | 0 | 0 | 119.6 | ||||
| 194 | V | 34.7 | Very low | 38.5 | Very low | 108 Ų | 108 | 150.2 Ų | 150.2 | 66% | 0.655 | 77% | 0.767 | S | S | * | * | cis | 176.8 | 136.9 | -32.1 | 139.3 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 195 | N | 34.8 | Very low | 39.9 | Very low | 152 Ų | 152 | 146.2 Ų | 146.2 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | 52.5 | 135.1 | 156.1 | -67.6 | -12.5 | 0 | 0 | 0 | 124.1 | ||||
| 196 | S | 34.2 | Very low | 40.8 | Very low | 96 Ų | 96 | 146.5 Ų | 146.5 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | 169.5 | 106.4 | 116.5 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 197 | D | 39.7 | Very low | 40.6 | Very low | 146 Ų | 146 | 147 Ų | 147 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | 82 | 103.9 | 116.8 | -57.8 | -36.2 | 0 | 0 | 0 | 115.3 | |||||
| 198 | Y | 39.8 | Very low | 41.4 | Very low | 197 Ų | 197 | 145.4 Ų | 145.4 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | 86.7 | 142.4 | 69.5 | -167.9 | -120.8 | 0 | 0 | 0 | 115.3 | |||||
| 199 | M | 43.3 | Very low | 42.2 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | 93.8 | 117.1 | -178.8 | -53.6 | -63.5 | -176 | 0 | 0 | 115.9 | ||||
| 200 | G | 37.6 | Very low | 42.6 | Very low | 56 Ų | 56 | 144.8 Ų | 144.8 | 58% | 0.577 | 78% | 0.779 | S | S | * | * | cis | 139.6 | 96.5 | 5.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 201 | F | 44.8 | Very low | 42.7 | Very low | 202 Ų | 202 | 142.2 Ų | 142.2 | 89% | 0.886 | 78% | 0.781 | S | S | * | * | trans | -148.1 | 134.4 | 156.7 | -78.4 | -75.6 | 0 | 0 | 0 | 109 | ||||
| 202 | P | 55.5 | Low | 42.9 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 135.4 | 179.1 | 30.3 | -31.9 | 0 | 0 | 0 | 111.3 | ||
| 203 | L | 54.6 | Low | 42.9 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 126.3 | 170.3 | -66.8 | 171.4 | 0 | 0 | 0 | 109.4 | ||
| 204 | L | 54.8 | Low | 43.2 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 145.1 | 172.4 | -69.7 | 168.2 | 0 | 0 | 0 | 110.4 | ||
| 205 | P | 59.8 | Low | 43.2 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71 | 143.7 | 179.3 | 28.1 | -31.4 | 0 | 0 | 0 | 111.7 | ||
| 206 | L | 48.6 | Very low | 42.9 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 146.5 | 175.3 | -74.6 | 116 | 0 | 0 | 0 | 111.5 | ||
| 207 | P | 49 | Very low | 42.8 | Very low | 112 Ų | 112 | 149.2 Ų | 149.2 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 143.6 | 177.4 | 28.4 | -33.4 | 0 | 0 | 0 | 111.1 | T209 | P207-T209 PolarHBondContact O-N 2.9Š|
| 208 | P | 47 | Very low | 42.6 | Very low | 129 Ų | 129 | 148.7 Ų | 148.7 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 127.3 | -178.3 | 26 | -31.9 | 0 | 0 | 0 | 111.8 | ||
| 209 | T | 47.4 | Very low | 42.1 | Very low | 137 Ų | 137 | 147.9 Ų | 147.9 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 123.6 | 167.1 | -2.9 | 0 | 0 | 0 | 0 | 109.6 | P207 | P207-T209 PolarHBondContact O-N 2.9Š|
| 210 | A | 38.7 | Very low | 41.5 | Very low | 94 Ų | 94 | 149.3 Ų | 149.3 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -110.2 | 116.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 211 | D | 35 | Very low | 41.2 | Very low | 165 Ų | 165 | 152.5 Ų | 152.5 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | trans | -65.7 | 144.1 | 179 | -83.9 | -37.2 | 0 | 0 | 0 | 112.6 | ||||
| 212 | I | 35.6 | Very low | 40.9 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | trans | -88.3 | 135.1 | 179 | -60.2 | 160.9 | 0 | 0 | 0 | 108.7 | ||||
| 213 | S | 33.3 | Very low | 39.8 | Very low | 103 Ų | 103 | 150.5 Ų | 150.5 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | 148.8 | 121.2 | 123.4 | 60.3 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 214 | Y | 39.1 | Very low | 38.7 | Very low | 224 Ų | 224 | 146.5 Ų | 146.5 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | -146.5 | 108.1 | 123.6 | 55 | -90.6 | 0 | 0 | 0 | 105.8 | |||||
| 215 | R | 34.2 | Very low | 37.7 | Very low | 223 Ų | 223 | 146.9 Ų | 146.9 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | 35.3 | 131.1 | 94 | -77.8 | -164.6 | 175.7 | 172.2 | 0.9 | 112.7 | |||||
| 216 | L | 29.8 | Very low | 36.4 | Very low | 129 Ų | 129 | 147.3 Ų | 147.3 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | cis | -174.8 | 144 | 7.2 | -149.1 | 90.3 | 0 | 0 | 0 | 105.2 | ||||
| 217 | Q | 30.8 | Very low | 35.4 | Very low | 162 Ų | 162 | 148.7 Ų | 148.7 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | -178.2 | 110.9 | 128.8 | -157.3 | 80.8 | -7.3 | 0 | 0 | 110.2 | |||||
| 218 | N | 35.2 | Very low | 34.3 | Very low | 134 Ų | 134 | 154.1 Ų | 154.1 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | trans | -70.7 | 153.2 | 171.8 | -72.6 | -28 | 0 | 0 | 0 | 112.7 | ||||
| 219 | H | 30.8 | Very low | 33.5 | Very low | 180 Ų | 180 | 153.2 Ų | 153.2 | 83% | 0.833 | 78% | 0.78 | S | S | * | * | trans | -160.5 | 91 | 131.4 | -73.2 | -60.4 | 0 | 0 | 0 | 107.9 | ||||
| 220 | F | 29.9 | Very low | 32.8 | Very low | 185 Ų | 185 | 154 Ų | 154 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | 49.4 | 106.4 | 95.6 | -150 | -96.5 | 0 | 0 | 0 | 115.9 | |||||
| 221 | T | 32.4 | Very low | 32.5 | Very low | 124 Ų | 124 | 157.3 Ų | 157.3 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | -175.4 | 116.5 | 116.5 | 25.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 222 | Q | 37.7 | Very low | 32.8 | Very low | 155 Ų | 155 | 154.6 Ų | 154.6 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | trans | -66.8 | 160.7 | 155.4 | -93.5 | -170.4 | 34 | 0 | 0 | 109.8 | S224 | Q222-S224 PolarHBondContact OE1-OG 3.04Š| ||
| 223 | P | 32.4 | Very low | 33 | Very low | 127 Ų | 127 | 152.2 Ų | 152.2 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | -121.1 | 115.1 | 130.4 | 32.1 | -22.8 | 0 | 0 | 0 | 110.5 | ||||
| 224 | S | 32.1 | Very low | 33.7 | Very low | 89 Ų | 89 | 153.9 Ų | 153.9 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | trans | -83.5 | 123.7 | 150 | 32.2 | 0 | 0 | 0 | 0 | 107.5 | Q222 | Q222-S224 PolarHBondContact OE1-OG 3.04Š| ||
| 225 | Q | 32.5 | Very low | 34.4 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 80% | 0.799 | 72% | 0.723 | S | S | * | * | -179.9 | 126.7 | 126.9 | -98.7 | -166.6 | -14.2 | 0 | 0 | 113.4 | |||||
| 226 | L | 33.6 | Very low | 35.5 | Very low | 130 Ų | 130 | 143 Ų | 143 | 68% | 0.681 | 72% | 0.722 | S | S | * | * | trans | 66.2 | 81.3 | 135.8 | -62.3 | 162.8 | 0 | 0 | 0 | 117.3 | ||||
| 227 | Q | 28 | Very low | 36.6 | Very low | 191 Ų | 191 | 140.1 Ų | 140.1 | 89% | 0.893 | 71% | 0.706 | S | S | * | * | trans | -100.2 | 112.7 | 151.7 | -141.7 | 171.2 | 23.1 | 0 | 0 | 108.5 | T229 | Q227-T229 PolarHBondContact O-N 3.29Š| ||
| 228 | W | 24.6 | Very low | 37.7 | Very low | 225 Ų | 225 | 133.4 Ų | 133.4 | 85% | 0.852 | 68% | 0.68 | S | S | * | * | trans | -58.9 | 122.2 | 172.3 | -73.6 | 81 | 0 | 0 | 0 | 109.2 | N230 | W228-N230 PolarHBondContact O-N 3.13Å; W228-N230 VanDerWaalsContact O-N 3.15Å | ||
| 229 | T | 29.9 | Very low | 38.5 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 68% | 0.681 | 66% | 0.659 | S | S | * | * | trans | -68.6 | 104.5 | 170.8 | 50.6 | 0 | 0 | 0 | 0 | 108.8 | Q227 E231 | Q227-T229 PolarHBondContact O-N 3.29Å; T229-E231 VanDerWaalsContact C-N 3.26Å; T229-E231 PolarHBondContact O-N 3.44Å | ||
| 230 | N | 34 | Very low | 39.2 | Very low | 153 Ų | 153 | 125 Ų | 125 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | trans | -74.5 | 96.3 | 142.9 | -69.2 | -21.1 | 0 | 0 | 0 | 104.5 | W228 T232 | W228-N230 PolarHBondContact O-N 3.13Å; W228-N230 VanDerWaalsContact O-N 3.15Å; N230-T232 PolarHBondContact O-N 3.37Å | ||
| 231 | E | 31.2 | Very low | 39.8 | Very low | 164 Ų | 164 | 123.1 Ų | 123.1 | 77% | 0.766 | 64% | 0.638 | S | S | * | * | trans | -59.4 | 87.3 | 176.1 | -74.1 | 179 | 156.2 | 0 | 0 | 109.5 | T229 T233 | T229-E231 VanDerWaalsContact C-N 3.26Å; T229-E231 PolarHBondContact O-N 3.44Å; E231-T233 PolarHBondContact O-N 2.98Å | ||
| 232 | T | 41.2 | Very low | 40.3 | Very low | 108 Ų | 108 | 122 Ų | 122 | 66% | 0.663 | 63% | 0.627 | S | S | * | * | trans | -68 | 96.6 | 151.6 | 50.7 | 0 | 0 | 0 | 0 | 105 | N230 E234 | N230-T232 PolarHBondContact O-N 3.37Å; T232-E234 PolarHBondContact O-N 3.15Å | ||
| 233 | T | 40.5 | Very low | 40.1 | Very low | 109 Ų | 109 | 123.2 Ų | 123.2 | 67% | 0.669 | 63% | 0.63 | S | S | * | * | trans | -47.7 | 110.4 | 172.4 | -56.5 | 0 | 0 | 0 | 0 | 108.3 | E231 D235 | E231-T233 PolarHBondContact O-N 2.98Å; T233-D235 PolarHBondContact O-N 2.73Å | ||
| 234 | E | 47.9 | Very low | 40.6 | Very low | 138 Ų | 138 | 123.7 Ų | 123.7 | 65% | 0.645 | 62% | 0.624 | S | S | * | * | trans | -52.5 | 118.3 | 174.4 | -66.8 | -177 | 171.5 | 0 | 0 | 107.4 | T232 K236 L240 | T232-E234 PolarHBondContact O-N 3.15Å; E234-K236 PolarHBondContact O-N 3.3Å; E234-L240 HydrophobicContact CG-CD1 3.97Å; E234-L240 WeakPolarHBondContact OE1-CD1 3.48Å | ||
| 235 | D | 54.3 | Low | 40.8 | Very low | 27 Ų | 27 | 123.2 Ų | 123.2 | 14% | 0.144 | 62% | 0.619 | C | S | . | * | trans | -69.3 | 132 | 161 | 67.9 | -20.3 | 0 | 0 | 0 | 105.9 | R106 T233 M237 G238 S239 | R106-D235 IonicContact CZ-OD2 3.92Å; R106-D235 IonicContact NH1-OD2 2.77Å; R106-D235 PolarHBondContact NH1-OD2 2.9Å; R106-D235 IonicContact NH2-OD2 3.78Å; R106-D235 PolarHBondContact NH2-OD2 2.82Å; T233-D235 PolarHBondContact O-N 2.73Å; D235-M237 HydrophobicContact CB-CB 4.45Å; D235-M237 PolarHBondContact O-N 3.37Å; D235-G238 PolarHBondContact O-N 3.18Å; D235-S239 VanDerWaalsContact CG-CB 3.41Å; D235-S239 WeakPolarHBondContact OD1-CA 3.34Å; D235-S239 WeakPolarHBondContact OD1-CB 3.39Å; D235-S239 PolarHBondContact OD1-N 2.76Å; D235-S239 WeakPolarHBondContact OD2-CB 3.22Å | ||
| 236 | K | 56 | Low | 41 | Very low | 191 Ų | 191 | 120.6 Ų | 120.6 | 83% | 0.83 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 17.4 | 177.1 | -65.2 | -179.1 | 174.6 | -174.9 | 0 | 113.3 | Y146 E234 | Y146-K236 PolarHBondContact OH-O 3.11Å; Y146-K236 VanDerWaalsContact OH-O 3.1Å; E234-K236 PolarHBondContact O-N 3.3Å |
| 237 | M | 53.5 | Low | 40.9 | Very low | 69 Ų | 69 | 120.7 Ų | 120.7 | 34% | 0.34 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118 | 10.2 | -172.7 | -61.3 | -64.9 | -68.6 | 0 | 0 | 112 | R106 D235 | R106-M237 VanDerWaalsContact CZ-CB 3.49Å; R106-M237 PolarHBondContact NH1-O 2.95Å; D235-M237 HydrophobicContact CB-CB 4.45Å; D235-M237 PolarHBondContact O-N 3.37Å |
| 238 | G | 54.4 | Low | 41.3 | Very low | 20 Ų | 20 | 119.7 Ų | 119.7 | 21% | 0.206 | 62% | 0.618 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 85.1 | 26.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y146 D235 L240 | Y146-G238 PolarHBondContact OH-N 3.15Å; D235-G238 PolarHBondContact O-N 3.18Å; G238-L240 PolarHBondContact O-N 3.48Å |
| 239 | S | 51.4 | Low | 41.6 | Very low | 40 Ų | 40 | 118.6 Ų | 118.6 | 28% | 0.28 | 62% | 0.619 | S | S | . | * | trans | -82.4 | 51.4 | 175.1 | -169.1 | 0 | 0 | 0 | 0 | 112.9 | D235 | D235-S239 VanDerWaalsContact CG-CB 3.41Å; D235-S239 WeakPolarHBondContact OD1-CA 3.34Å; D235-S239 WeakPolarHBondContact OD1-CB 3.39Å; D235-S239 PolarHBondContact OD1-N 2.76Å; D235-S239 WeakPolarHBondContact OD2-CB 3.22Å | ||
| 240 | L | 45.2 | Very low | 41.5 | Very low | 98 Ų | 98 | 119.3 Ų | 119.3 | 51% | 0.513 | 62% | 0.623 | S | S | . | * | trans | -117.9 | 80.3 | 168 | -92.4 | 177.2 | 0 | 0 | 0 | 109.5 | E234 G238 | E234-L240 HydrophobicContact CG-CD1 3.97Å; E234-L240 WeakPolarHBondContact OE1-CD1 3.48Å; G238-L240 PolarHBondContact O-N 3.48Å | ||
| 241 | H | 42.7 | Very low | 41.3 | Very low | 146 Ų | 146 | 117.4 Ų | 117.4 | 68% | 0.676 | 62% | 0.622 | S | S | * | * | trans | -159.2 | 67.2 | 164.3 | -87.4 | 96.3 | 0 | 0 | 0 | 110.5 | ||||
| 242 | N | 42.9 | Very low | 41.1 | Very low | 99 Ų | 99 | 115.7 Ų | 115.7 | 53% | 0.529 | 62% | 0.623 | S | S | . | * | trans | -130.4 | 75.3 | 161.2 | -84.6 | -0.8 | 0 | 0 | 0 | 108.8 | Y74 | Y74-N242 PolarHBondContact O-ND2 3.39Š| ||
| 243 | F | 33.7 | Very low | 40.8 | Very low | 182 Ų | 182 | 119.8 Ų | 119.8 | 80% | 0.798 | 63% | 0.634 | S | S | * | * | trans | -129.5 | 98.4 | 151.7 | -153 | -92.8 | 0 | 0 | 0 | 106.8 | P245 | F243-P245 HydrophobicContact CD1-CB 4.43Å; F243-P245 HydrophobicContact CE1-CB 4.35Å; F243-P245 VanDerWaalsContact O-CD 3.25Å; F243-P245 WeakPolarHBondContact O-CD 3.48Å | ||
| 244 | I | 43.1 | Very low | 40.2 | Very low | 136 Ų | 136 | 119.6 Ų | 119.6 | 70% | 0.697 | 64% | 0.638 | S | S | * | * | trans | -88.7 | 104.2 | 164.6 | -60.9 | 168.4 | 0 | 0 | 0 | 104.3 | ||||
| 245 | P | 35.4 | Very low | 39.2 | Very low | 79 Ų | 79 | 122.3 Ų | 122.3 | 51% | 0.513 | 65% | 0.651 | S | S | . | * | trans | -65 | 141.4 | 168.1 | 26.9 | -30.1 | 0 | 0 | 0 | 108.3 | F243 V247 | F243-P245 HydrophobicContact CD1-CB 4.43Å; F243-P245 HydrophobicContact CE1-CB 4.35Å; F243-P245 VanDerWaalsContact O-CD 3.25Å; F243-P245 WeakPolarHBondContact O-CD 3.48Å; P245-V247 PolarHBondContact O-N 3.4Å; P245-V247 VanDerWaalsContact O-N 3.12Å | ||
| 246 | P | 36.5 | Very low | 38 | Very low | 117 Ų | 117 | 126 Ų | 126 | 76% | 0.76 | 68% | 0.679 | S | S | * | * | trans | -63.8 | 119.4 | 176 | 26.9 | -30.9 | 0 | 0 | 0 | 108.2 | Q248 | P246-Q248 PolarHBondContact O-N 3.21Å; P246-Q248 VanDerWaalsContact O-N 3.07Å | ||
| 247 | V | 33.3 | Very low | 36.8 | Very low | 132 Ų | 132 | 122.1 Ų | 122.1 | 80% | 0.8 | 68% | 0.675 | S | S | * | * | trans | -64.7 | 109.1 | 170 | 176.4 | 0 | 0 | 0 | 0 | 107.2 | P245 K249 | P245-V247 PolarHBondContact O-N 3.4Å; P245-V247 VanDerWaalsContact O-N 3.12Å; V247-K249 PolarHBondContact O-N 2.87Å | ||
| 248 | Q | 35.4 | Very low | 35.6 | Very low | 169 Ų | 169 | 123.7 Ų | 123.7 | 79% | 0.79 | 69% | 0.693 | S | S | * | * | trans | -67.9 | 116.3 | 168 | -70.6 | -178.6 | -13.3 | 0 | 0 | 107.9 | P246 T250 | P246-Q248 PolarHBondContact O-N 3.21Å; P246-Q248 VanDerWaalsContact O-N 3.07Å; Q248-T250 PolarHBondContact O-N 3.44Å; Q248-T250 VanDerWaalsContact O-N 3.11Å | ||
| 249 | K | 30.6 | Very low | 34.4 | Very low | 203 Ų | 203 | 127.8 Ų | 127.8 | 88% | 0.883 | 72% | 0.718 | S | S | * | * | trans | -67.6 | 104.2 | 166.8 | -67 | 179.7 | 179.7 | 179.5 | 0 | 107.9 | V247 S251 | V247-K249 PolarHBondContact O-N 2.87Å; K249-S251 PolarHBondContact O-N 3.4Å | ||
| 250 | T | 27.1 | Very low | 33.4 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | -75.7 | 99.1 | 163.6 | 50.3 | 0 | 0 | 0 | 0 | 108.1 | Q248 T252 | Q248-T250 PolarHBondContact O-N 3.44Å; Q248-T250 VanDerWaalsContact O-N 3.11Å; T250-T252 PolarHBondContact O-N 3.5Å | ||
| 251 | S | 30.5 | Very low | 32.5 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -82 | 107.6 | 161.9 | 58 | 0 | 0 | 0 | 0 | 108.4 | K249 | K249-S251 PolarHBondContact O-N 3.4Š| ||
| 252 | T | 28.2 | Very low | 32 | Very low | 128 Ų | 128 | 131 Ų | 131 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -82.6 | 108.1 | 164.6 | -47.2 | 0 | 0 | 0 | 0 | 107.7 | T250 | T250-T252 PolarHBondContact O-N 3.5Š| ||
| 253 | Q | 33.7 | Very low | 31.6 | Very low | 193 Ų | 193 | 135.7 Ų | 135.7 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -140.5 | 115.3 | 154.6 | -73.9 | -166.7 | -12.5 | 0 | 0 | 108.9 | ||||
| 254 | S | 29.1 | Very low | 31.4 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -77.8 | 134.7 | 164.1 | 47.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 255 | E | 26.8 | Very low | 30.7 | Very low | 195 Ų | 195 | 133.3 Ų | 133.3 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | trans | -170.4 | 145.5 | 137.7 | -105.8 | 169.4 | -149.1 | 0 | 0 | 111.4 | ||||
| 256 | S | 28.5 | Very low | 30.4 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -93 | 147.8 | -173.1 | 48.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 257 | S | 30 | Very low | 30.3 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | 150.7 | 129.3 | 115.1 | 58.6 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 258 | S | 29.1 | Very low | 30.3 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | trans | 56.1 | 120.3 | 140.3 | 57.3 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 259 | S | 28.3 | Very low | 30.4 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | 81.5 | 119.8 | 123.4 | 73 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 260 | S | 30.7 | Very low | 30.5 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | 151.9 | 133.8 | 108.8 | 58.2 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 261 | G | 27.5 | Very low | 30.9 | Very low | 73 Ų | 73 | 145.4 Ų | 145.4 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -105.6 | 147.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 262 | V | 32 | Very low | 31.1 | Very low | 154 Ų | 154 | 148.1 Ų | 148.1 | 93% | 0.933 | 81% | 0.813 | S | S | * | * | trans | -145.3 | 139.1 | 151.5 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 263 | K | 34 | Very low | 31.4 | Very low | 196 Ų | 196 | 149.7 Ų | 149.7 | 85% | 0.852 | 82% | 0.815 | S | S | * | * | trans | -96.8 | 141.6 | 179.6 | -66.3 | 175.7 | 175.1 | 177.2 | 0 | 110.8 | ||||
| 264 | E | 28.8 | Very low | 31.5 | Very low | 197 Ų | 197 | 145.5 Ų | 145.5 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | 175.5 | 131.6 | 139.9 | -107 | 175.2 | 155.9 | 0 | 0 | 105.3 | ||||
| 265 | G | 30.2 | Very low | 32.1 | Very low | 72 Ų | 72 | 145.9 Ų | 145.9 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | cis | 113.7 | 74.2 | 22.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 266 | D | 28.6 | Very low | 33.1 | Very low | 154 Ų | 154 | 142 Ų | 142 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -163.8 | 149.1 | 137.6 | -129.2 | -20.1 | 0 | 0 | 0 | 116.1 | ||||
| 267 | L | 33.7 | Very low | 34 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | trans | -69.2 | 135.8 | -172.5 | -73.4 | 77.1 | 0 | 0 | 0 | 113.3 | ||||
| 268 | R | 33.6 | Very low | 35.3 | Very low | 236 Ų | 236 | 145.2 Ų | 145.2 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | -142 | 123.4 | 138 | -68.1 | -157.3 | 93.4 | -152 | 2.9 | 113.3 | ||||
| 269 | Q | 37.2 | Very low | 37.4 | Very low | 178 Ų | 178 | 150.7 Ų | 150.7 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -17 | 125.4 | 171.4 | -82.5 | 160.7 | -39.8 | 0 | 0 | 119.6 | ||||
| 270 | K | 32.5 | Very low | 39.4 | Very low | 171 Ų | 171 | 154.6 Ų | 154.6 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | -40 | 129.3 | 152.3 | -82.7 | 166.9 | 169.4 | 165.6 | 0 | 113.2 | ||||
| 271 | Q | 36.4 | Very low | 41.6 | Very low | 191 Ų | 191 | 153.1 Ų | 153.1 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -120.5 | 89.5 | 134.9 | -76.6 | -171.9 | -24.5 | 0 | 0 | 108 | I273 | Q271-I273 PolarHBondContact O-N 3.49Š| ||
| 272 | K | 33.6 | Very low | 43.8 | Very low | 171 Ų | 171 | 152.7 Ų | 152.7 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -71 | 109.6 | 164 | -80.1 | -174.4 | 174.1 | -170.9 | 0 | 106.8 | S274 | K272-S274 VanDerWaalsContact C-N 3.27Å; K272-S274 PolarHBondContact O-N 3.1Å | ||
| 273 | I | 35.3 | Very low | 45.4 | Very low | 161 Ų | 161 | 155.6 Ų | 155.6 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | trans | -67.8 | 96.6 | 162.6 | -60.7 | 168.4 | 0 | 0 | 0 | 105.8 | Q271 T275 | Q271-I273 PolarHBondContact O-N 3.49Å; I273-T275 PolarHBondContact O-N 3.21Å; I273-T275 VanDerWaalsContact O-N 3.09Å | ||
| 274 | S | 34.7 | Very low | 47.6 | Very low | 104 Ų | 104 | 150.5 Ų | 150.5 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -68 | 98.7 | 171.1 | 173.9 | 0 | 0 | 0 | 0 | 107.8 | K272 | K272-S274 VanDerWaalsContact C-N 3.27Å; K272-S274 PolarHBondContact O-N 3.1Å | ||
| 275 | T | 43.2 | Very low | 49.8 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 125.1 | 164.8 | 51.4 | 0 | 0 | 0 | 0 | 108.2 | I273 S277 | I273-T275 PolarHBondContact O-N 3.21Å; I273-T275 VanDerWaalsContact O-N 3.09Å; T275-S277 PolarHBondContact O-N 2.82Å; T275-S277 VanDerWaalsContact O-N 3.15Å |
| 276 | P | 46.7 | Very low | 51.9 | Low | 113 Ų | 113 | 144.8 Ų | 144.8 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 124 | 180 | 26.2 | -31.9 | 0 | 0 | 0 | 108.3 | I278 | P276-I278 PolarHBondContact O-N 3.28Š|
| 277 | S | 48.1 | Very low | 53.9 | Low | 113 Ų | 113 | 142.5 Ų | 142.5 | 79% | 0.79 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 123.4 | 170 | -171.8 | 0 | 0 | 0 | 0 | 108.5 | T275 R279 | T275-S277 PolarHBondContact O-N 2.82Å; T275-S277 VanDerWaalsContact O-N 3.15Å; S277-R279 PolarHBondContact O-N 3.04Å |
| 278 | I | 57.9 | Low | 55.8 | Low | 169 Ų | 169 | 141.9 Ų | 141.9 | 87% | 0.867 | 69% | 0.693 | S | S | * | * | trans | -67.1 | 86.1 | -178.5 | -61.1 | 168.1 | 0 | 0 | 0 | 107.2 | P276 F280 | P276-I278 PolarHBondContact O-N 3.28Å; I278-F280 PolarHBondContact O-N 3.49Å | ||
| 279 | R | 72.9 | Confident | 57.6 | Low | 216 Ų | 216 | 133.7 Ų | 133.7 | 82% | 0.815 | 67% | 0.672 | S | S | * | * | trans | -77.4 | 121.6 | 172.4 | -168.6 | 177.2 | -69.6 | -125.9 | 1.4 | 107 | S277 M281 | S277-R279 PolarHBondContact O-N 3.04Å; R279-M281 PolarHBondContact O-N 3.01Å | ||
| 280 | F | 70.1 | Confident | 59.2 | Low | 188 Ų | 188 | 133.9 Ų | 133.9 | 83% | 0.825 | 67% | 0.665 | S | S | * | * | trans | -56.1 | 113.3 | 173.1 | -179.8 | -100.6 | 0 | 0 | 0 | 109.2 | I278 | I278-F280 PolarHBondContact O-N 3.49Š| ||
| 281 | M | 76.4 | Confident | 61.1 | Low | 96 Ų | 96 | 132.4 Ų | 132.4 | 47% | 0.473 | 66% | 0.659 | S | S | . | * | trans | -106 | 123.3 | 176.6 | -72.7 | -134.9 | 75.6 | 0 | 0 | 108.8 | R279 T285 | R279-M281 PolarHBondContact O-N 3.01Å; M281-T285 HydrophobicContact CE-CG2 4Å | ||
| 282 | P | 73.1 | Confident | 62.7 | Low | 63 Ų | 63 | 131.6 Ų | 131.6 | 41% | 0.409 | 65% | 0.648 | S | S | . | * | trans | -63.3 | 143.9 | -179 | 23.8 | -30.5 | 0 | 0 | 0 | 110.4 | T284 T285 | P282-T284 PolarHBondContact O-N 2.64Å; P282-T285 HydrophobicContact CG-CG2 3.98Å; P282-T285 PolarHBondContact O-N 3.47Å; P282-T285 PolarHBondContact O-OG1 3.41Å | ||
| 283 | R | 67.3 | Low | 64.5 | Low | 215 Ų | 215 | 130.3 Ų | 130.3 | 81% | 0.811 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -53.7 | -25.6 | -170.8 | -163.8 | 172.4 | -178.9 | 152.1 | -1 | 114.5 | H286 L287 | R283-H286 PolarHBondContact O-N 2.9Å; R283-L287 PolarHBondContact O-N 3.45Å |
| 284 | T | 80.3 | Confident | 65.9 | Low | 90 Ų | 90 | 127.4 Ų | 127.4 | 55% | 0.552 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.4 | -42.9 | 174.8 | 54 | 0 | 0 | 0 | 0 | 112.2 | P282 H286 L287 E288 | P282-T284 PolarHBondContact O-N 2.64Å; T284-H286 VanDerWaalsContact C-N 3.34Å; T284-H286 PolarHBondContact O-N 2.94Å; T284-L287 PolarHBondContact O-N 3.23Å; T284-L287 VanDerWaalsContact O-N 3.16Å; T284-E288 PolarHBondContact O-N 2.74Å |
| 285 | T | 75.1 | Confident | 67.2 | Low | 31 Ų | 31 | 126.7 Ų | 126.7 | 19% | 0.19 | 62% | 0.616 | C | S | . | * | H | α-helix | trans | -67.3 | -33.3 | 179.8 | 61.5 | 0 | 0 | 0 | 0 | 112.6 | M281 P282 S289 | M281-T285 HydrophobicContact CE-CG2 4Å; P282-T285 HydrophobicContact CG-CG2 3.98Å; P282-T285 PolarHBondContact O-N 3.47Å; P282-T285 PolarHBondContact O-OG1 3.41Å; T285-S289 VanDerWaalsContact O-CB 3.29Å; T285-S289 WeakPolarHBondContact O-CB 3.45Å; T285-S289 PolarHBondContact O-N 3.01Å; T285-S289 PolarHBondContact O-OG 2.99Å |
| 286 | H | 73.4 | Confident | 68 | Low | 118 Ų | 118 | 125.6 Ų | 125.6 | 55% | 0.546 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69.3 | -36.1 | 172.9 | -79.8 | -64.7 | 0 | 0 | 0 | 112.6 | R283 T284 R290 | R283-H286 PolarHBondContact O-N 2.9Å; T284-H286 VanDerWaalsContact C-N 3.34Å; T284-H286 PolarHBondContact O-N 2.94Å; H286-R290 VanDerWaalsContact O-CB 3.27Å; H286-R290 WeakPolarHBondContact O-CB 3.27Å; H286-R290 PolarHBondContact O-N 3.44Å |
| 287 | L | 70.3 | Confident | 68.5 | Low | 106 Ų | 106 | 126.4 Ų | 126.4 | 56% | 0.555 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.6 | -42.6 | 175.6 | -73.7 | 174.9 | 0 | 0 | 0 | 111.7 | R283 T284 R290 K291 | R283-L287 PolarHBondContact O-N 3.45Å; T284-L287 PolarHBondContact O-N 3.23Å; T284-L287 VanDerWaalsContact O-N 3.16Å; L287-R290 PolarHBondContact O-N 2.93Å; L287-K291 WeakPolarHBondContact O-CB 3.35Å; L287-K291 PolarHBondContact O-N 3.46Å |
| 288 | E | 73.9 | Confident | 68.8 | Low | 135 Ų | 135 | 124.1 Ų | 124.1 | 63% | 0.631 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.3 | -41.6 | 175.1 | -74.4 | 174.6 | 180 | 0 | 0 | 112.1 | T284 R290 K291 R292 | T284-E288 PolarHBondContact O-N 2.74Å; E288-R290 VanDerWaalsContact C-N 3.31Å; E288-R290 PolarHBondContact O-N 2.86Å; E288-K291 PolarHBondContact O-N 3.16Å; E288-R292 WeakPolarHBondContact O-CB 3.4Å; E288-R292 PolarHBondContact O-N 3.25Å |
| 289 | S | 72.1 | Confident | 68.4 | Low | 64 Ų | 64 | 122.4 Ų | 122.4 | 45% | 0.448 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.2 | -38.8 | 174.9 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | T285 K293 | T285-S289 VanDerWaalsContact O-CB 3.29Å; T285-S289 WeakPolarHBondContact O-CB 3.45Å; T285-S289 PolarHBondContact O-N 3.01Å; T285-S289 PolarHBondContact O-OG 2.99Å; S289-K293 WeakPolarHBondContact O-CB 3.29Å; S289-K293 WeakPolarHBondContact O-CG 3.35Å; S289-K293 PolarHBondContact O-N 3.32Å |
| 290 | R | 69.7 | Low | 67.3 | Low | 182 Ų | 182 | 119.7 Ų | 119.7 | 69% | 0.687 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69.7 | -35 | 175.7 | -172.7 | 179.6 | -89.5 | 170.2 | -7.8 | 111.5 | H286 L287 E288 L294 | H286-R290 VanDerWaalsContact O-CB 3.27Å; H286-R290 WeakPolarHBondContact O-CB 3.27Å; H286-R290 PolarHBondContact O-N 3.44Å; L287-R290 PolarHBondContact O-N 2.93Å; E288-R290 VanDerWaalsContact C-N 3.31Å; E288-R290 PolarHBondContact O-N 2.86Å; R290-L294 PolarHBondContact O-N 3.1Å; R290-L294 VanDerWaalsContact O-N 3.1Å |
| 291 | K | 73.6 | Confident | 66.3 | Low | 141 Ų | 141 | 117.1 Ų | 117.1 | 61% | 0.613 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.8 | -47 | 174.4 | -166.3 | -177.6 | 176.9 | -172.7 | 0 | 111.4 | L287 E288 K293 L294 D295 | L287-K291 WeakPolarHBondContact O-CB 3.35Å; L287-K291 PolarHBondContact O-N 3.46Å; E288-K291 PolarHBondContact O-N 3.16Å; K291-K293 VanDerWaalsContact C-N 3.32Å; K291-K293 PolarHBondContact O-N 2.83Å; K291-L294 WeakPolarHBondContact O-CB 3.46Å; K291-L294 PolarHBondContact O-N 3.06Å; K291-D295 VanDerWaalsContact O-CG 3.29Å; K291-D295 PolarHBondContact O-N 2.97Å |
| 292 | R | 69.8 | Low | 64.8 | Low | 174 Ų | 174 | 120.6 Ų | 120.6 | 66% | 0.657 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.6 | -38.1 | 175.3 | -171.4 | 177.5 | 175.2 | 161.6 | 6.4 | 112.4 | E288 D295 E296 | E288-R292 WeakPolarHBondContact O-CB 3.4Å; E288-R292 PolarHBondContact O-N 3.25Å; R292-D295 PolarHBondContact O-N 2.97Å; R292-E296 IonicContact NE-OE1 3.25Å; R292-E296 PolarHBondContact NE-OE1 3.37Å; R292-E296 WeakPolarHBondContact O-CB 3.44Å; R292-E296 VanDerWaalsContact O-CG 3.28Å; R292-E296 WeakPolarHBondContact O-CG 3.14Å; R292-E296 PolarHBondContact O-N 3.37Å |
| 293 | K | 70.1 | Confident | 63.4 | Low | 143 Ų | 143 | 124 Ų | 124 | 62% | 0.622 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.3 | -34.6 | 173 | -78.6 | -174.4 | 177 | -169.5 | 0 | 113.6 | S289 K291 Q297 | S289-K293 WeakPolarHBondContact O-CB 3.29Å; S289-K293 WeakPolarHBondContact O-CG 3.35Å; S289-K293 PolarHBondContact O-N 3.32Å; K291-K293 VanDerWaalsContact C-N 3.32Å; K291-K293 PolarHBondContact O-N 2.83Å; K293-Q297 WeakPolarHBondContact O-CB 3.28Å; K293-Q297 PolarHBondContact O-N 3.34Å |
| 294 | L | 64.9 | Low | 62.2 | Low | 101 Ų | 101 | 116.7 Ų | 116.7 | 53% | 0.529 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69 | -43.1 | 172.3 | -99.2 | 171.2 | 0 | 0 | 0 | 110.8 | R290 K291 E296 Q297 T298 | R290-L294 PolarHBondContact O-N 3.1Å; R290-L294 VanDerWaalsContact O-N 3.1Å; K291-L294 WeakPolarHBondContact O-CB 3.46Å; K291-L294 PolarHBondContact O-N 3.06Å; L294-E296 VanDerWaalsContact C-N 3.34Å; L294-E296 PolarHBondContact O-N 3.2Å; L294-Q297 PolarHBondContact O-N 3.15Å; L294-T298 WeakPolarHBondContact O-CG2 3.33Å; L294-T298 PolarHBondContact O-N 3.45Å; L294-T298 PolarHBondContact O-OG1 3.03Å |
| 295 | D | 63.2 | Low | 60.7 | Low | 89 Ų | 89 | 119.3 Ų | 119.3 | 48% | 0.476 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.1 | -40 | 177.6 | -63.6 | -26.2 | 0 | 0 | 0 | 110.9 | K291 R292 T298 F299 | K291-D295 VanDerWaalsContact O-CG 3.29Å; K291-D295 PolarHBondContact O-N 2.97Å; R292-D295 PolarHBondContact O-N 2.97Å; D295-T298 VanDerWaalsContact CA-OG1 3.28Å; D295-T298 WeakPolarHBondContact CA-OG1 3.28Å; D295-T298 PolarHBondContact O-N 2.81Å; D295-T298 PolarHBondContact O-OG1 2.86Å; D295-F299 PolarHBondContact O-N 3.24Å |
| 296 | E | 58.8 | Low | 59.6 | Low | 91 Ų | 91 | 126.5 Ų | 126.5 | 43% | 0.425 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.2 | -43.1 | 172.2 | -76 | 169.4 | -170.7 | 0 | 0 | 111.9 | R292 L294 T298 F299 F300 | R292-E296 IonicContact NE-OE1 3.25Å; R292-E296 PolarHBondContact NE-OE1 3.37Å; R292-E296 WeakPolarHBondContact O-CB 3.44Å; R292-E296 VanDerWaalsContact O-CG 3.28Å; R292-E296 WeakPolarHBondContact O-CG 3.14Å; R292-E296 PolarHBondContact O-N 3.37Å; L294-E296 VanDerWaalsContact C-N 3.34Å; L294-E296 PolarHBondContact O-N 3.2Å; E296-T298 VanDerWaalsContact C-N 3.33Å; E296-T298 PolarHBondContact O-N 3.22Å; E296-F299 WeakPolarHBondContact O-CB 3.41Å; E296-F299 PolarHBondContact O-N 3.46Å; E296-F299 VanDerWaalsContact O-N 3.15Å; E296-F300 WeakPolarHBondContact O-CD2 3.36Å; E296-F300 PolarHBondContact O-N 2.71Å |
| 297 | Q | 56.8 | Low | 58.5 | Low | 129 Ų | 129 | 127.5 Ų | 127.5 | 60% | 0.603 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64 | -35.6 | 172.7 | -86.4 | -175.1 | -2.6 | 0 | 0 | 112.9 | K293 L294 F299 F300 L301 | K293-Q297 WeakPolarHBondContact O-CB 3.28Å; K293-Q297 PolarHBondContact O-N 3.34Å; L294-Q297 PolarHBondContact O-N 3.15Å; Q297-F299 VanDerWaalsContact C-N 3.25Å; Q297-F299 PolarHBondContact O-N 3.48Å; Q297-F300 PolarHBondContact O-N 3.29Å; Q297-L301 PolarHBondContact O-N 3.09Å |
| 298 | T | 55.6 | Low | 57.1 | Low | 66 Ų | 66 | 125.9 Ų | 125.9 | 41% | 0.405 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.7 | -22.3 | 174.6 | 57.4 | 0 | 0 | 0 | 0 | 113 | L294 D295 E296 K302 | L294-T298 WeakPolarHBondContact O-CG2 3.33Å; L294-T298 PolarHBondContact O-N 3.45Å; L294-T298 PolarHBondContact O-OG1 3.03Å; D295-T298 VanDerWaalsContact CA-OG1 3.28Å; D295-T298 WeakPolarHBondContact CA-OG1 3.28Å; D295-T298 PolarHBondContact O-N 2.81Å; D295-T298 PolarHBondContact O-OG1 2.86Å; E296-T298 VanDerWaalsContact C-N 3.33Å; E296-T298 PolarHBondContact O-N 3.22Å; T298-K302 WeakPolarHBondContact O-CB 3.29Å; T298-K302 WeakPolarHBondContact O-CG 3.46Å; T298-K302 PolarHBondContact O-N 3.3Å; T298-K302 VanDerWaalsContact O-N 3.16Å |
| 299 | F | 50.3 | Low | 56.1 | Low | 133 Ų | 133 | 125.5 Ų | 125.5 | 58% | 0.583 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.2 | -47 | 171.2 | -157 | -89.9 | 0 | 0 | 0 | 110.6 | D295 E296 Q297 L301 K302 E303 | D295-F299 PolarHBondContact O-N 3.24Å; E296-F299 WeakPolarHBondContact O-CB 3.41Å; E296-F299 PolarHBondContact O-N 3.46Å; E296-F299 VanDerWaalsContact O-N 3.15Å; Q297-F299 VanDerWaalsContact C-N 3.25Å; Q297-F299 PolarHBondContact O-N 3.48Å; F299-L301 VanDerWaalsContact C-N 3.27Å; F299-L301 PolarHBondContact O-N 2.83Å; F299-K302 PolarHBondContact O-N 3.28Å; F299-K302 VanDerWaalsContact O-N 3.16Å; F299-E303 VanDerWaalsContact CE1-OE2 3.29Å; F299-E303 WeakPolarHBondContact CE1-OE2 3.48Å; F299-E303 PolarHBondContact O-N 3.46Å; F299-E303 VanDerWaalsContact O-N 3.12Å |
| 300 | F | 49 | Very low | 55.5 | Low | 158 Ų | 158 | 130.4 Ų | 130.4 | 69% | 0.693 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -62.2 | -31.5 | 174.3 | -71.9 | -72.6 | 0 | 0 | 0 | 113.7 | E296 Q297 | E296-F300 WeakPolarHBondContact O-CD2 3.36Å; E296-F300 PolarHBondContact O-N 2.71Å; Q297-F300 PolarHBondContact O-N 3.29Å |
| 301 | L | 49.3 | Very low | 54.7 | Low | 134 Ų | 134 | 129.6 Ų | 129.6 | 70% | 0.702 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -78.1 | -22.3 | 176.8 | -107.3 | 149.7 | 0 | 0 | 0 | 113.8 | Q297 F299 | Q297-L301 PolarHBondContact O-N 3.09Å; F299-L301 VanDerWaalsContact C-N 3.27Å; F299-L301 PolarHBondContact O-N 2.83Å |
| 302 | K | 43.5 | Very low | 54.9 | Low | 169 Ų | 169 | 125.3 Ų | 125.3 | 74% | 0.735 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -92.2 | -20.1 | 177.7 | -82.5 | -178.8 | 173.8 | 179.6 | 0 | 113.8 | T298 F299 | T298-K302 WeakPolarHBondContact O-CB 3.29Å; T298-K302 WeakPolarHBondContact O-CG 3.46Å; T298-K302 PolarHBondContact O-N 3.3Å; T298-K302 VanDerWaalsContact O-N 3.16Å; F299-K302 PolarHBondContact O-N 3.28Å; F299-K302 VanDerWaalsContact O-N 3.16Å |
| 303 | E | 44 | Very low | 54.8 | Low | 135 Ų | 135 | 123.3 Ų | 123.3 | 63% | 0.631 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -8.8 | 178.1 | -124.5 | 165.8 | -173.1 | 0 | 0 | 113.4 | F299 | F299-E303 VanDerWaalsContact CE1-OE2 3.29Å; F299-E303 WeakPolarHBondContact CE1-OE2 3.48Å; F299-E303 PolarHBondContact O-N 3.46Å; F299-E303 VanDerWaalsContact O-N 3.12Å |
| 304 | A | 43.2 | Very low | 54.9 | Low | 62 Ų | 62 | 125.2 Ų | 125.2 | 51% | 0.512 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.3 | 10.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | K306 | A304-K306 PolarHBondContact O-N 3.12Š|
| 305 | D | 47.4 | Very low | 55.2 | Low | 144 Ų | 144 | 127.8 Ų | 127.8 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -79.6 | 6.7 | 175.6 | -76.6 | -20.8 | 0 | 0 | 0 | 113.4 | ||
| 306 | K | 53.2 | Low | 55.7 | Low | 182 Ų | 182 | 129.1 Ų | 129.1 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -134.1 | 106.7 | 170.6 | -65.8 | 179.3 | -176.9 | 175.2 | 0 | 108.9 | A304 | A304-K306 PolarHBondContact O-N 3.12Š|
| 307 | T | 49.8 | Very low | 56.1 | Low | 140 Ų | 140 | 133.1 Ų | 133.1 | 86% | 0.859 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 89.1 | 77.2 | -179.6 | 73.8 | 0 | 0 | 0 | 0 | 115.4 | V309 | T307-V309 PolarHBondContact O-N 3.16Š|
| 308 | G | 41.5 | Very low | 56.4 | Low | 71 Ų | 71 | 134.6 Ų | 134.6 | 73% | 0.732 | 73% | 0.729 | S | S | * | * | trans | -79.4 | 113.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 309 | V | 51.7 | Low | 56.9 | Low | 128 Ų | 128 | 137.2 Ų | 137.2 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | -105.2 | 98.6 | 156.8 | 179.5 | 0 | 0 | 0 | 0 | 107.1 | T307 I311 | T307-V309 PolarHBondContact O-N 3.16Å; V309-I311 HydrophobicContact CG1-CD1 4.37Å; V309-I311 HydrophobicContact CG1-CG1 4.24Å | ||
| 310 | L | 59.7 | Low | 57.9 | Low | 166 Ų | 166 | 139.8 Ų | 139.8 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | trans | -84.1 | 109.3 | 176.4 | -89.4 | 148.7 | 0 | 0 | 0 | 109.4 | ||||
| 311 | I | 54.5 | Low | 59.1 | Low | 166 Ų | 166 | 137.1 Ų | 137.1 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | trans | -98 | 104.8 | 172.3 | -69.3 | 161.4 | 0 | 0 | 0 | 108.5 | V309 | V309-I311 HydrophobicContact CG1-CD1 4.37Å; V309-I311 HydrophobicContact CG1-CG1 4.24Å | ||
| 312 | G | 77.6 | Confident | 60.6 | Low | 51 Ų | 51 | 135.6 Ų | 135.6 | 53% | 0.526 | 74% | 0.743 | S | S | . | * | S | Bend | trans | 170 | 152.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | K314 | G312-K314 PolarHBondContact O-N 3.16Å; G312-K314 VanDerWaalsContact O-N 3.09Å |
| 313 | P | 67.7 | Low | 62.3 | Low | 132 Ų | 132 | 132 Ų | 132 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 118.9 | 174.3 | 24.2 | -31.2 | 0 | 0 | 0 | 108.7 | L315 | P313-L315 PolarHBondContact O-N 3.31Š|
| 314 | K | 72 | Confident | 64.1 | Low | 183 Ų | 183 | 134.5 Ų | 134.5 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 128.3 | 179.4 | -77.1 | -177.1 | 174.7 | -178.3 | 0 | 108.8 | G312 | G312-K314 PolarHBondContact O-N 3.16Å; G312-K314 VanDerWaalsContact O-N 3.09Å |
| 315 | L | 71.3 | Confident | 66.2 | Low | 154 Ų | 154 | 134.6 Ų | 134.6 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 140.2 | 165.6 | -108.6 | 80.1 | 0 | 0 | 0 | 108.4 | P313 E317 | P313-L315 PolarHBondContact O-N 3.31Å; L315-E317 PolarHBondContact O-N 3.07Å |
| 316 | P | 73.6 | Confident | 67.9 | Low | 117 Ų | 117 | 132.3 Ų | 132.3 | 76% | 0.76 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 129.3 | 172.8 | -24 | 32.9 | 0 | 0 | 0 | 109.9 | L318 | P316-L318 PolarHBondContact O-N 3.35Š|
| 317 | E | 66.8 | Low | 69.7 | Low | 175 Ų | 175 | 126.7 Ų | 126.7 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 132 | 175.7 | -70.4 | -177.6 | 179.4 | 0 | 0 | 108.8 | L315 | L315-E317 PolarHBondContact O-N 3.07Š|
| 318 | L | 63.4 | Low | 71.4 | Confident | 160 Ų | 160 | 124.1 Ų | 124.1 | 84% | 0.838 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 126.5 | 177.8 | -67.6 | 174.6 | 0 | 0 | 0 | 108.2 | P316 K320 | P316-L318 PolarHBondContact O-N 3.35Å; L318-K320 PolarHBondContact O-N 3.24Å; L318-K320 VanDerWaalsContact O-N 3.17Å |
| 319 | P | 66.3 | Low | 73.6 | Confident | 121 Ų | 121 | 122.1 Ų | 122.1 | 79% | 0.786 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -60 | 125 | -177.8 | 22.8 | -31.6 | 0 | 0 | 0 | 109.2 | L321 | P319-L321 PolarHBondContact O-N 3.21Š|
| 320 | K | 71.1 | Confident | 75.3 | Confident | 188 Ų | 188 | 120.8 Ų | 120.8 | 82% | 0.817 | 66% | 0.657 | S | S | * | * | trans | -68.3 | 104.2 | 175.8 | -168.6 | 176.9 | -178.7 | -173.7 | 0 | 107.5 | L318 D322 | L318-K320 PolarHBondContact O-N 3.24Å; L318-K320 VanDerWaalsContact O-N 3.17Å; K320-D322 PolarHBondContact O-N 3.21Å | ||
| 321 | L | 73.8 | Confident | 76.8 | Confident | 101 Ų | 101 | 116.5 Ų | 116.5 | 53% | 0.529 | 64% | 0.638 | S | S | . | * | trans | -67.7 | 102.6 | 172.7 | 179.9 | 72.8 | 0 | 0 | 0 | 108 | P319 M323 | P319-L321 PolarHBondContact O-N 3.21Å; L321-M323 HydrophobicContact CD1-SD 3.9Å; L321-M323 HydrophobicContact CD2-SD 4.01Å; L321-M323 HydrophobicContact CG-CG 4.38Å; L321-M323 HydrophobicContact CG-SD 3.86Å | ||
| 322 | D | 79.8 | Confident | 78.4 | Confident | 103 Ų | 103 | 109.6 Ų | 109.6 | 55% | 0.551 | 61% | 0.606 | S | S | * | * | trans | -102 | 115.8 | 171.8 | -168.5 | -11.4 | 0 | 0 | 0 | 107.8 | K320 E324 N329 | K320-D322 PolarHBondContact O-N 3.21Å; D322-E324 PolarHBondContact O-N 3.28Å; D322-E324 PolarHBondContact OD1-N 3.17Å; D322-N329 PolarHBondContact OD1-ND2 3.24Å | ||
| 323 | M | 80.1 | Confident | 78.8 | Confident | 92 Ų | 92 | 110.7 Ų | 110.7 | 45% | 0.453 | 60% | 0.6 | S | S | . | * | trans | -86.7 | 10.2 | -176.4 | -64.8 | -62.4 | -57.9 | 0 | 0 | 112.9 | L321 D325 L328 N329 | L321-M323 HydrophobicContact CD1-SD 3.9Å; L321-M323 HydrophobicContact CD2-SD 4.01Å; L321-M323 HydrophobicContact CG-CG 4.38Å; L321-M323 HydrophobicContact CG-SD 3.86Å; M323-D325 PolarHBondContact O-N 3.46Å; M323-L328 HydrophobicContact CB-CB 4.1Å; M323-N329 PolarHBondContact N-OD1 3.14Å | ||
| 324 | E | 81.3 | Confident | 79.8 | Confident | 189 Ų | 189 | 109.8 Ų | 109.8 | 88% | 0.883 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 58 | 1.6 | -176.4 | -59.3 | 179.3 | 177.6 | 0 | 0 | 114.8 | D322 | D322-E324 PolarHBondContact O-N 3.28Å; D322-E324 PolarHBondContact OD1-N 3.17Å |
| 325 | D | 88.4 | Confident | 80.5 | Confident | 63 Ų | 63 | 105.5 Ų | 105.5 | 34% | 0.337 | 57% | 0.572 | S | S | . | * | trans | -119.2 | 121.9 | 176.4 | -176 | -16.1 | 0 | 0 | 0 | 109.6 | M323 S327 L328 N329 | M323-D325 PolarHBondContact O-N 3.46Å; D325-S327 VanDerWaalsContact CG-OG 3.24Å; D325-S327 PolarHBondContact O-N 3.38Å; D325-S327 WeakPolarHBondContact OD1-CB 3.41Å; D325-S327 PolarHBondContact OD1-N 3.03Å; D325-S327 PolarHBondContact OD1-OG 3.05Å; D325-S327 PolarHBondContact OD2-OG 3.02Å; D325-L328 HydrophobicContact CB-CB 4.12Å; D325-L328 HydrophobicContact CB-CD1 4Å; D325-L328 HydrophobicContact CB-CG 4.02Å; D325-L328 PolarHBondContact O-N 3.02Å; D325-N329 WeakPolarHBondContact O-CB 3.39Å; D325-N329 VanDerWaalsContact O-CG 3.26Å; D325-N329 PolarHBondContact O-N 3.49Å; D325-N329 PolarHBondContact O-ND2 3.06Å; D325-N329 VanDerWaalsContact O-ND2 3.1Å | ||
| 326 | S | 82.8 | Confident | 81.3 | Confident | 96 Ų | 96 | 102.8 Ų | 102.8 | 67% | 0.671 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.1 | -34.3 | -179.7 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | V330 | S326-V330 VanDerWaalsContact O-CG2 3.23Å; S326-V330 WeakPolarHBondContact O-CG2 3.46Å; S326-V330 PolarHBondContact O-N 3.5Å; S326-V330 VanDerWaalsContact O-N 3.14Å |
| 327 | S | 89.9 | Confident | 81.9 | Confident | 64 Ų | 64 | 102.1 Ų | 102.1 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73.4 | -41.6 | -179 | 70.9 | 0 | 0 | 0 | 0 | 112.6 | D325 V330 T331 | D325-S327 VanDerWaalsContact CG-OG 3.24Å; D325-S327 PolarHBondContact O-N 3.38Å; D325-S327 WeakPolarHBondContact OD1-CB 3.41Å; D325-S327 PolarHBondContact OD1-N 3.03Å; D325-S327 PolarHBondContact OD1-OG 3.05Å; D325-S327 PolarHBondContact OD2-OG 3.02Å; S327-V330 PolarHBondContact O-N 3.46Å; S327-T331 PolarHBondContact O-N 3.39Å; S327-T331 VanDerWaalsContact O-N 3.15Å; S327-T331 PolarHBondContact O-OG1 3.08Å |
| 328 | L | 86.3 | Confident | 82.9 | Confident | 86 Ų | 86 | 97.4 Ų | 97.4 | 45% | 0.45 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.4 | -38.6 | 176.8 | -64.3 | -178.2 | 0 | 0 | 0 | 111.3 | M323 D325 V330 T331 A332 | M323-L328 HydrophobicContact CB-CB 4.1Å; D325-L328 HydrophobicContact CB-CB 4.12Å; D325-L328 HydrophobicContact CB-CD1 4Å; D325-L328 HydrophobicContact CB-CG 4.02Å; D325-L328 PolarHBondContact O-N 3.02Å; L328-V330 PolarHBondContact O-N 2.75Å; L328-T331 PolarHBondContact O-N 3.36Å; L328-A332 WeakPolarHBondContact O-CB 3.31Å; L328-A332 PolarHBondContact O-N 3.36Å |
| 329 | N | 86.8 | Confident | 83.7 | Confident | 29 Ų | 29 | 96 Ų | 96 | 16% | 0.155 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 176.1 | -76.9 | -33.2 | 0 | 0 | 0 | 112.6 | D322 M323 D325 T331 A332 N333 | D322-N329 PolarHBondContact OD1-ND2 3.24Å; M323-N329 PolarHBondContact N-OD1 3.14Å; D325-N329 WeakPolarHBondContact O-CB 3.39Å; D325-N329 VanDerWaalsContact O-CG 3.26Å; D325-N329 PolarHBondContact O-N 3.49Å; D325-N329 PolarHBondContact O-ND2 3.06Å; D325-N329 VanDerWaalsContact O-ND2 3.1Å; N329-T331 VanDerWaalsContact C-N 3.35Å; N329-A332 PolarHBondContact O-N 2.93Å; N329-N333 WeakPolarHBondContact O-CB 3.37Å; N329-N333 PolarHBondContact O-N 3.32Å; N329-N333 PolarHBondContact O-ND2 2.99Å; N329-N333 VanDerWaalsContact O-ND2 3.09Å |
| 330 | V | 88.6 | Confident | 84.4 | Confident | 100 Ų | 100 | 94.5 Ų | 94.5 | 61% | 0.606 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.5 | -45.3 | 173.1 | 168.8 | 0 | 0 | 0 | 0 | 110.7 | S326 S327 L328 N333 L334 | S326-V330 VanDerWaalsContact O-CG2 3.23Å; S326-V330 WeakPolarHBondContact O-CG2 3.46Å; S326-V330 PolarHBondContact O-N 3.5Å; S326-V330 VanDerWaalsContact O-N 3.14Å; S327-V330 PolarHBondContact O-N 3.46Å; L328-V330 PolarHBondContact O-N 2.75Å; V330-N333 PolarHBondContact O-N 2.84Å; V330-L334 PolarHBondContact O-N 3.23Å |
| 331 | T | 90.4 | Very high | 84.9 | Confident | 76 Ų | 76 | 92.8 Ų | 92.8 | 47% | 0.466 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 179.3 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | S327 L328 N329 N333 L334 I335 | S327-T331 PolarHBondContact O-N 3.39Å; S327-T331 VanDerWaalsContact O-N 3.15Å; S327-T331 PolarHBondContact O-OG1 3.08Å; L328-T331 PolarHBondContact O-N 3.36Å; N329-T331 VanDerWaalsContact C-N 3.35Å; T331-N333 VanDerWaalsContact C-N 3.33Å; T331-N333 PolarHBondContact O-N 2.91Å; T331-L334 WeakPolarHBondContact O-CB 3.48Å; T331-L334 PolarHBondContact O-N 3.5Å; T331-I335 HydrophobicContact CG2-CD1 4.12Å; T331-I335 VanDerWaalsContact O-CG1 3.32Å; T331-I335 WeakPolarHBondContact O-CG1 3.43Å; T331-I335 PolarHBondContact O-N 3.31Å |
| 332 | A | 87.6 | Confident | 85 | Confident | 21 Ų | 21 | 91.3 Ų | 91.3 | 17% | 0.174 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L328 N329 I335 R336 | L328-A332 WeakPolarHBondContact O-CB 3.31Å; L328-A332 PolarHBondContact O-N 3.36Å; N329-A332 PolarHBondContact O-N 2.93Å; A332-I335 PolarHBondContact O-N 3.32Å; A332-R336 WeakPolarHBondContact O-CG 3.28Å; A332-R336 PolarHBondContact O-N 2.9Å |
| 333 | N | 86.4 | Confident | 84.5 | Confident | 75 Ų | 75 | 90.6 Ų | 90.6 | 40% | 0.401 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 175.2 | -72.8 | -29.6 | 0 | 0 | 0 | 112 | N329 V330 T331 I335 R336 N337 | N329-N333 WeakPolarHBondContact O-CB 3.37Å; N329-N333 PolarHBondContact O-N 3.32Å; N329-N333 PolarHBondContact O-ND2 2.99Å; N329-N333 VanDerWaalsContact O-ND2 3.09Å; V330-N333 PolarHBondContact O-N 2.84Å; T331-N333 VanDerWaalsContact C-N 3.33Å; T331-N333 PolarHBondContact O-N 2.91Å; N333-I335 VanDerWaalsContact C-N 3.34Å; N333-I335 PolarHBondContact O-N 2.89Å; N333-R336 PolarHBondContact O-N 3.36Å; N333-R336 PolarHBondContact OD1-NH1 3.42Å; N333-N337 WeakPolarHBondContact O-CB 3.36Å; N333-N337 PolarHBondContact O-N 3.37Å; N333-N337 PolarHBondContact O-ND2 3.39Å |
| 334 | L | 89.8 | Confident | 83.9 | Confident | 113 Ų | 113 | 90.4 Ų | 90.4 | 59% | 0.592 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.1 | -43.2 | 174.8 | -170.4 | 64 | 0 | 0 | 0 | 111.2 | V330 T331 N337 T338 | V330-L334 PolarHBondContact O-N 3.23Å; T331-L334 WeakPolarHBondContact O-CB 3.48Å; T331-L334 PolarHBondContact O-N 3.5Å; L334-N337 PolarHBondContact O-N 2.97Å; L334-T338 WeakPolarHBondContact O-CG2 3.4Å; L334-T338 PolarHBondContact O-N 3.42Å; L334-T338 PolarHBondContact O-OG1 2.83Å |
| 335 | I | 87.3 | Confident | 83.1 | Confident | 93 Ų | 93 | 86 Ų | 86 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 176.6 | -66 | 164.5 | 0 | 0 | 0 | 111.5 | T331 A332 N333 N337 T338 M339 | T331-I335 HydrophobicContact CG2-CD1 4.12Å; T331-I335 VanDerWaalsContact O-CG1 3.32Å; T331-I335 WeakPolarHBondContact O-CG1 3.43Å; T331-I335 PolarHBondContact O-N 3.31Å; A332-I335 PolarHBondContact O-N 3.32Å; N333-I335 VanDerWaalsContact C-N 3.34Å; N333-I335 PolarHBondContact O-N 2.89Å; I335-N337 VanDerWaalsContact C-N 3.3Å; I335-N337 PolarHBondContact O-N 2.98Å; I335-T338 WeakPolarHBondContact CA-OG1 3.41Å; I335-T338 PolarHBondContact O-N 3.38Å; I335-T338 PolarHBondContact O-OG1 3.36Å; I335-M339 HydrophobicContact CG2-CG 4.39Å; I335-M339 VanDerWaalsContact O-CG 3.31Å; I335-M339 WeakPolarHBondContact O-CG 3.35Å; I335-M339 PolarHBondContact O-N 3.27Å |
| 336 | R | 86.1 | Confident | 81.4 | Confident | 97 Ų | 97 | 88.7 Ų | 88.7 | 37% | 0.366 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 176.5 | -71.3 | -176.7 | -158.3 | 121.2 | 1 | 111.4 | A332 N333 T338 M339 T340 | A332-R336 WeakPolarHBondContact O-CG 3.28Å; A332-R336 PolarHBondContact O-N 2.9Å; N333-R336 PolarHBondContact O-N 3.36Å; N333-R336 PolarHBondContact OD1-NH1 3.42Å; R336-T338 VanDerWaalsContact C-N 3.34Å; R336-T338 PolarHBondContact O-N 3.5Å; R336-M339 PolarHBondContact O-N 2.93Å; R336-T340 WeakPolarHBondContact O-CG2 3.35Å; R336-T340 PolarHBondContact O-N 3.44Å; R336-T340 PolarHBondContact O-OG1 3.19Å; R336-T340 VanDerWaalsContact O-OG1 3.05Å |
| 337 | N | 87 | Confident | 79.6 | Confident | 103 Ų | 103 | 93.2 Ų | 93.2 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.4 | -34.7 | 177.9 | -70.7 | -15.1 | 0 | 0 | 0 | 112.6 | N333 L334 I335 T340 K341 | N333-N337 WeakPolarHBondContact O-CB 3.36Å; N333-N337 PolarHBondContact O-N 3.37Å; N333-N337 PolarHBondContact O-ND2 3.39Å; L334-N337 PolarHBondContact O-N 2.97Å; I335-N337 VanDerWaalsContact C-N 3.3Å; I335-N337 PolarHBondContact O-N 2.98Å; N337-T340 WeakPolarHBondContact CA-OG1 3.32Å; N337-T340 PolarHBondContact O-OG1 3.09Å; N337-K341 VanDerWaalsContact O-CB 3.28Å; N337-K341 WeakPolarHBondContact O-CB 3.48Å; N337-K341 PolarHBondContact O-N 3.1Å; N337-K341 VanDerWaalsContact O-N 3.08Å |
| 338 | T | 87.9 | Confident | 77.6 | Confident | 76 Ų | 76 | 94.5 Ų | 94.5 | 47% | 0.466 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -72.3 | -38.9 | 173.9 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | L334 I335 R336 K341 A342 | L334-T338 WeakPolarHBondContact O-CG2 3.4Å; L334-T338 PolarHBondContact O-N 3.42Å; L334-T338 PolarHBondContact O-OG1 2.83Å; I335-T338 WeakPolarHBondContact CA-OG1 3.41Å; I335-T338 PolarHBondContact O-N 3.38Å; I335-T338 PolarHBondContact O-OG1 3.36Å; R336-T338 VanDerWaalsContact C-N 3.34Å; R336-T338 PolarHBondContact O-N 3.5Å; T338-K341 PolarHBondContact O-N 2.85Å; T338-A342 WeakPolarHBondContact O-CB 3.23Å; T338-A342 PolarHBondContact O-N 3.5Å |
| 339 | M | 80.3 | Confident | 75.4 | Confident | 129 Ų | 129 | 99.6 Ų | 99.6 | 64% | 0.635 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.9 | -43.9 | 175.4 | -71.6 | -135.7 | 72.4 | 0 | 0 | 112.5 | I335 R336 K341 A342 A343 | I335-M339 HydrophobicContact CG2-CG 4.39Å; I335-M339 VanDerWaalsContact O-CG 3.31Å; I335-M339 WeakPolarHBondContact O-CG 3.35Å; I335-M339 PolarHBondContact O-N 3.27Å; R336-M339 PolarHBondContact O-N 2.93Å; M339-K341 VanDerWaalsContact C-N 3.34Å; M339-A342 PolarHBondContact O-N 3.46Å; M339-A343 WeakPolarHBondContact O-CB 3.45Å; M339-A343 PolarHBondContact O-N 3.14Å |
| 340 | T | 81 | Confident | 73.2 | Confident | 90 Ų | 90 | 104 Ų | 104 | 55% | 0.552 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65 | -40.2 | 175.4 | 49.5 | 0 | 0 | 0 | 0 | 111.4 | R336 N337 A343 S344 | R336-T340 WeakPolarHBondContact O-CG2 3.35Å; R336-T340 PolarHBondContact O-N 3.44Å; R336-T340 PolarHBondContact O-OG1 3.19Å; R336-T340 VanDerWaalsContact O-OG1 3.05Å; N337-T340 WeakPolarHBondContact CA-OG1 3.32Å; N337-T340 PolarHBondContact O-OG1 3.09Å; T340-A343 PolarHBondContact O-N 2.96Å; T340-S344 WeakPolarHBondContact O-CB 3.38Å; T340-S344 PolarHBondContact O-N 2.91Å; T340-S344 PolarHBondContact O-OG 2.72Å |
| 341 | K | 82.3 | Confident | 70.8 | Confident | 153 Ų | 153 | 106.1 Ų | 106.1 | 67% | 0.665 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62 | -43.7 | 173.9 | -169.7 | 174.5 | -178.1 | 178.7 | 0 | 111.7 | N337 T338 M339 S344 V345 | N337-K341 VanDerWaalsContact O-CB 3.28Å; N337-K341 WeakPolarHBondContact O-CB 3.48Å; N337-K341 PolarHBondContact O-N 3.1Å; N337-K341 VanDerWaalsContact O-N 3.08Å; T338-K341 PolarHBondContact O-N 2.85Å; M339-K341 VanDerWaalsContact C-N 3.34Å; K341-S344 PolarHBondContact O-N 3Å; K341-S344 PolarHBondContact O-OG 3.25Å; K341-V345 PolarHBondContact O-N 3.38Å |
| 342 | A | 74.8 | Confident | 68.3 | Low | 69 Ų | 69 | 110.2 Ų | 110.2 | 57% | 0.57 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.5 | -39.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T338 M339 S344 V345 | T338-A342 WeakPolarHBondContact O-CB 3.23Å; T338-A342 PolarHBondContact O-N 3.5Å; M339-A342 PolarHBondContact O-N 3.46Å; A342-S344 VanDerWaalsContact C-N 3.26Å; A342-S344 PolarHBondContact O-N 2.83Å; A342-V345 PolarHBondContact O-N 3.3Å |
| 343 | A | 69.6 | Low | 66 | Low | 88 Ų | 88 | 113 Ų | 113 | 73% | 0.727 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.9 | -24.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | M339 T340 | M339-A343 WeakPolarHBondContact O-CB 3.45Å; M339-A343 PolarHBondContact O-N 3.14Å; T340-A343 PolarHBondContact O-N 2.96Å |
| 344 | S | 68.3 | Low | 63.9 | Low | 89 Ų | 89 | 119.4 Ų | 119.4 | 62% | 0.622 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -8.7 | -179.7 | 72.8 | 0 | 0 | 0 | 0 | 114.9 | T340 K341 A342 | T340-S344 WeakPolarHBondContact O-CB 3.38Å; T340-S344 PolarHBondContact O-N 2.91Å; T340-S344 PolarHBondContact O-OG 2.72Å; K341-S344 PolarHBondContact O-N 3Å; K341-S344 PolarHBondContact O-OG 3.25Å; A342-S344 VanDerWaalsContact C-N 3.26Å; A342-S344 PolarHBondContact O-N 2.83Å |
| 345 | V | 63.9 | Low | 61.5 | Low | 97 Ų | 97 | 122.5 Ų | 122.5 | 59% | 0.588 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -83.7 | 122.2 | 176.6 | 178.5 | 0 | 0 | 0 | 0 | 109 | K341 A342 E347 | K341-V345 PolarHBondContact O-N 3.38Å; A342-V345 PolarHBondContact O-N 3.3Å; V345-E347 PolarHBondContact O-N 3.49Å |
| 346 | P | 53.1 | Low | 59.3 | Low | 118 Ų | 118 | 124.2 Ų | 124.2 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | trans | -65.3 | 122.8 | 175.9 | 25.1 | -31 | 0 | 0 | 0 | 110.1 | A348 | P346-A348 PolarHBondContact O-N 3.15Å; P346-A348 VanDerWaalsContact O-N 3.14Å | ||
| 347 | E | 44.9 | Very low | 57.5 | Low | 191 Ų | 191 | 126 Ų | 126 | 89% | 0.893 | 72% | 0.721 | S | S | * | * | trans | -59 | 110.7 | -179.7 | -157.5 | 174.3 | -164.3 | 0 | 0 | 110.7 | V345 K349 | V345-E347 PolarHBondContact O-N 3.49Å; E347-K349 PolarHBondContact O-N 3.19Å | ||
| 348 | A | 46.6 | Very low | 55.7 | Low | 92 Ų | 92 | 126.9 Ų | 126.9 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 124.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109 | P346 | P346-A348 PolarHBondContact O-N 3.15Å; P346-A348 VanDerWaalsContact O-N 3.14Å |
| 349 | K | 41.8 | Very low | 54.4 | Low | 193 Ų | 193 | 132.9 Ų | 132.9 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 131.9 | 178.7 | -67 | 176.2 | 178.9 | 176.7 | 0 | 111.4 | E347 V351 | E347-K349 PolarHBondContact O-N 3.19Å; K349-V351 PolarHBondContact O-N 2.96Å |
| 350 | P | 40.4 | Very low | 53.3 | Low | 121 Ų | 121 | 132.9 Ų | 132.9 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 129.8 | 174.9 | 26 | -31.1 | 0 | 0 | 0 | 110.8 | L352 | P350-L352 PolarHBondContact O-N 2.75Š|
| 351 | V | 37 | Very low | 52.4 | Low | 145 Ų | 145 | 140.4 Ų | 140.4 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | -61.4 | 111.6 | 171.1 | 173.7 | 0 | 0 | 0 | 0 | 108.4 | K349 | K349-V351 PolarHBondContact O-N 2.96Š| ||
| 352 | L | 39.3 | Very low | 51.2 | Low | 162 Ų | 162 | 144.3 Ų | 144.3 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -75.6 | 125.5 | 175.4 | -136.7 | 142.2 | 0 | 0 | 0 | 108.9 | P350 | P350-L352 PolarHBondContact O-N 2.75Š| ||
| 353 | A | 38.1 | Very low | 50.2 | Low | 78 Ų | 78 | 152.9 Ų | 152.9 | 65% | 0.645 | 81% | 0.808 | S | S | * | * | trans | -54.7 | 148.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | H355 | A353-H355 PolarHBondContact O-N 2.87Š| ||
| 354 | K | 43.3 | Very low | 49.5 | Very low | 211 Ų | 211 | 160 Ų | 160 | 92% | 0.917 | 83% | 0.832 | S | S | * | * | trans | -49.3 | 115.2 | 178.4 | -63.1 | 170.8 | 179.9 | 175.8 | 0 | 111.6 | ||||
| 355 | H | 39.4 | Very low | 48.5 | Very low | 178 Ų | 178 | 163.6 Ų | 163.6 | 82% | 0.824 | 84% | 0.842 | S | S | * | * | trans | -126.6 | 134.7 | 153.7 | -96.1 | -79.2 | 0 | 0 | 0 | 109.5 | A353 | A353-H355 PolarHBondContact O-N 2.87Š| ||
| 356 | T | 41.6 | Very low | 47.7 | Very low | 129 Ų | 129 | 167.1 Ų | 167.1 | 79% | 0.791 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 138.4 | -174.3 | 49.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 357 | T | 47.1 | Very low | 47.4 | Very low | 133 Ų | 133 | 169.8 Ų | 169.8 | 82% | 0.816 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 133.7 | 171.2 | 46.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 358 | P | 48.7 | Very low | 47.6 | Very low | 122 Ų | 122 | 168.5 Ų | 168.5 | 79% | 0.792 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 134.6 | 161.6 | 30.8 | -27.9 | 0 | 0 | 0 | 110.5 | ||
| 359 | K | 62.2 | Low | 47.6 | Very low | 203 Ų | 203 | 173.3 Ų | 173.3 | 88% | 0.883 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 145.3 | 179.3 | -72.7 | 174.1 | 176.4 | 175 | 0 | 112.3 | ||
| 360 | P | 55.9 | Low | 48 | Very low | 128 Ų | 128 | 172 Ų | 172 | 83% | 0.831 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 128.8 | 172.1 | 28.7 | -31.9 | 0 | 0 | 0 | 111.2 | ||
| 361 | R | 61.5 | Low | 48.6 | Very low | 248 Ų | 248 | 175.6 Ų | 175.6 | 94% | 0.936 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 119.1 | 176.4 | -156.3 | 175.6 | 178.4 | -168.1 | -1.4 | 108.8 | R363 | R361-R363 PolarHBondContact O-N 2.97Š|
| 362 | R | 57.1 | Low | 49.5 | Very low | 235 Ų | 235 | 178 Ų | 178 | 89% | 0.887 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 131.2 | 170.2 | -86.1 | -179.9 | 163.6 | 171.5 | -5.7 | 109.1 | I364 | R362-I364 PolarHBondContact O-N 3.16Š|
| 363 | R | 54.8 | Low | 50.3 | Low | 250 Ų | 250 | 179.3 Ų | 179.3 | 94% | 0.943 | 87% | 0.873 | S | S | * | * | P | Polyproline II helix | trans | -62 | 126.1 | 162.3 | -85.5 | -180 | 165 | -172.9 | -5.6 | 107.8 | R361 | R361-R363 PolarHBondContact O-N 2.97Š|
| 364 | I | 54.3 | Low | 51.4 | Low | 237 Ų | 237 | 188.5 Ų | 188.5 | 100% | 1.215 | 89% | 0.894 | S | S | * | * | trans | -102.5 | 0 | 154.8 | -64 | 176.2 | 0 | 0 | 0 | 105.1 | R362 | R362-I364 PolarHBondContact O-N 3.16Š|
Retrieved 364 of 364 residues in 87.4 ms
(Link to these results)