| 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 | 44.7 | Very low | 47.9 | Very low | 241 Ų | 241 | 130.3 Ų | 130.3 | 100% | 1.187 | 68% | 0.677 | S | S | * | * | 0 | 102.2 | 0 | -88.7 | 168.7 | 62 | 0 | 0 | 106.5 | |||||
| 2 | D | 44.2 | Very low | 47.3 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 66% | 0.663 | 68% | 0.677 | S | S | * | * | trans | -73.9 | 144 | -159.9 | -69.2 | -47.7 | 0 | 0 | 0 | 114.1 | C4 V5 | D2-C4 PolarHBondContact O-N 3.03Å; D2-C4 VanDerWaalsContact O-N 3.08Å; D2-V5 PolarHBondContact O-N 3.18Å | ||
| 3 | W | 44.6 | Very low | 46.5 | Very low | 232 Ų | 232 | 130.5 Ų | 130.5 | 88% | 0.879 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -55.7 | -23.7 | 174.8 | -134.3 | -6.3 | 0 | 0 | 0 | 112.9 | L6 S7 | W3-L6 PolarHBondContact O-N 3.38Å; W3-S7 PolarHBondContact O-N 3.28Å |
| 4 | C | 44.3 | Very low | 45.8 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 64% | 0.642 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66.1 | -31.2 | 173 | -85.1 | 0 | 0 | 0 | 0 | 113.9 | D2 L8 | D2-C4 PolarHBondContact O-N 3.03Å; D2-C4 VanDerWaalsContact O-N 3.08Å; C4-L8 PolarHBondContact O-N 3.06Å |
| 5 | V | 51.9 | Low | 45.1 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 54% | 0.539 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -74.4 | -32.8 | -179.6 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | D2 L9 | D2-V5 PolarHBondContact O-N 3.18Å; V5-L9 HydrophobicContact CG1-CD1 3.97Å; V5-L9 WeakPolarHBondContact O-CD1 3.42Å; V5-L9 PolarHBondContact O-N 2.98Å |
| 6 | L | 51.6 | Low | 44.7 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 60% | 0.597 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -69.7 | -40.8 | 176.9 | -135.9 | 83.9 | 0 | 0 | 0 | 111.9 | W3 L9 L10 | W3-L6 PolarHBondContact O-N 3.38Å; L6-L9 PolarHBondContact O-N 3.23Å; L6-L10 PolarHBondContact O-N 3.41Å |
| 7 | S | 51.8 | Low | 44.2 | Very low | 72 Ų | 72 | 128.4 Ų | 128.4 | 50% | 0.503 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -68.3 | -35.4 | 175.9 | -86.3 | 0 | 0 | 0 | 0 | 113.2 | W3 L11 | W3-S7 PolarHBondContact O-N 3.28Å; S7-L11 PolarHBondContact O-N 3.21Å; S7-L11 VanDerWaalsContact O-N 3.1Å |
| 8 | L | 48.8 | Very low | 43.6 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 63% | 0.634 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -70.2 | -35.9 | 173.8 | -108.7 | 98 | 0 | 0 | 0 | 112.4 | C4 L11 M12 | C4-L8 PolarHBondContact O-N 3.06Å; L8-L11 PolarHBondContact O-N 3.14Å; L8-M12 VanDerWaalsContact O-CG 3.31Å; L8-M12 WeakPolarHBondContact O-CG 3.39Å; L8-M12 PolarHBondContact O-N 2.93Å; L8-M12 VanDerWaalsContact O-N 3.14Å |
| 9 | L | 48.3 | Very low | 43.1 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 52% | 0.524 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -66.9 | -39 | 174 | -106.8 | 105.4 | 0 | 0 | 0 | 112.1 | V5 L6 M12 L13 | V5-L9 HydrophobicContact CG1-CD1 3.97Å; V5-L9 WeakPolarHBondContact O-CD1 3.42Å; V5-L9 PolarHBondContact O-N 2.98Å; L6-L9 PolarHBondContact O-N 3.23Å; L9-M12 PolarHBondContact O-N 3.42Å; L9-L13 HydrophobicContact CD2-CD1 4.49Å; L9-L13 WeakPolarHBondContact O-CB 3.39Å; L9-L13 WeakPolarHBondContact O-CD1 3.23Å; L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 3.03Å |
| 10 | L | 51.7 | Low | 42.7 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 61% | 0.613 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -66.7 | -33.9 | 175.9 | -90.9 | 148 | 0 | 0 | 0 | 112.8 | L6 G14 | L6-L10 PolarHBondContact O-N 3.41Å; L10-G14 PolarHBondContact O-N 3.06Å |
| 11 | L | 44.6 | Very low | 42.8 | Very low | 128 Ų | 128 | 135 Ų | 135 | 67% | 0.67 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -72.6 | -26.8 | 173.6 | -89.8 | 153.4 | 0 | 0 | 0 | 113.6 | S7 L8 | S7-L11 PolarHBondContact O-N 3.21Å; S7-L11 VanDerWaalsContact O-N 3.1Å; L8-L11 PolarHBondContact O-N 3.14Å |
| 12 | M | 40.8 | Very low | 43.5 | Very low | 136 Ų | 136 | 131 Ų | 131 | 67% | 0.67 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -86.4 | -28 | 176.7 | -67.3 | -67.8 | -98.8 | 0 | 0 | 112.8 | L8 L9 | L8-M12 VanDerWaalsContact O-CG 3.31Å; L8-M12 WeakPolarHBondContact O-CG 3.39Å; L8-M12 PolarHBondContact O-N 2.93Å; L8-M12 VanDerWaalsContact O-N 3.14Å; L9-M12 PolarHBondContact O-N 3.42Å |
| 13 | L | 37.3 | Very low | 44.9 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 67% | 0.67 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -76.1 | -21.7 | 172.7 | -76.7 | 158.5 | 0 | 0 | 0 | 113 | L9 K15 | L9-L13 HydrophobicContact CD2-CD1 4.49Å; L9-L13 WeakPolarHBondContact O-CB 3.39Å; L9-L13 WeakPolarHBondContact O-CD1 3.23Å; L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 3.03Å; L13-K15 VanDerWaalsContact C-N 3.28Å; L13-K15 PolarHBondContact O-N 3.42Å |
| 14 | G | 36.2 | Very low | 46.6 | Very low | 66 Ų | 66 | 123.3 Ų | 123.3 | 68% | 0.68 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -4.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L10 | L10-G14 PolarHBondContact O-N 3.06Š|
| 15 | K | 35.8 | Very low | 48.5 | Very low | 177 Ų | 177 | 119 Ų | 119 | 77% | 0.77 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -7.3 | -177.9 | -76.6 | -169.6 | 174.9 | -175.9 | 0 | 115.5 | L13 | L13-K15 VanDerWaalsContact C-N 3.28Å; L13-K15 PolarHBondContact O-N 3.42Å |
| 16 | H | 39 | Very low | 49.4 | Very low | 178 Ų | 178 | 118.7 Ų | 118.7 | 82% | 0.824 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -121.7 | 52.1 | -177.1 | -72.1 | 76.1 | 0 | 0 | 0 | 111.4 | ||
| 17 | G | 36.5 | Very low | 50.1 | Low | 65 Ų | 65 | 117.7 Ų | 117.7 | 67% | 0.67 | 64% | 0.639 | S | S | * | * | trans | -147.5 | 34.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 18 | L | 32.2 | Very low | 50.4 | Low | 152 Ų | 152 | 118.6 Ų | 118.6 | 80% | 0.796 | 65% | 0.645 | S | S | * | * | trans | -143.3 | 103.1 | 156.7 | -89.1 | 114.7 | 0 | 0 | 0 | 106.6 | Q20 | L18-Q20 PolarHBondContact O-N 3.17Š| ||
| 19 | C | 34 | Very low | 51.1 | Low | 143 Ų | 143 | 117.2 Ų | 117.2 | 97% | 0.966 | 65% | 0.651 | S | S | * | * | trans | -62.8 | 86.6 | 150.9 | -90.9 | 0 | 0 | 0 | 0 | 106 | Q21 | C19-Q21 PolarHBondContact O-N 3.44Š| ||
| 20 | Q | 36.8 | Very low | 52.4 | Low | 168 Ų | 168 | 113.1 Ų | 113.1 | 79% | 0.785 | 63% | 0.63 | S | S | * | * | trans | -65.5 | 113 | 159.4 | -91.6 | 179.6 | -29.6 | 0 | 0 | 105.6 | L18 E22 | L18-Q20 PolarHBondContact O-N 3.17Å; Q20-E22 PolarHBondContact O-N 3.37Å | ||
| 21 | Q | 44.6 | Very low | 53.6 | Low | 188 Ų | 188 | 112.6 Ų | 112.6 | 88% | 0.879 | 63% | 0.631 | S | S | * | * | trans | -57.7 | 107.8 | 168.7 | -155.1 | 165.9 | 6.5 | 0 | 0 | 105.9 | C19 E23 | C19-Q21 PolarHBondContact O-N 3.44Å; Q21-E23 PolarHBondContact O-N 3.09Å; Q21-E23 VanDerWaalsContact O-N 3.14Å | ||
| 22 | E | 58.1 | Low | 55.5 | Low | 159 Ų | 159 | 108.1 Ų | 108.1 | 74% | 0.743 | 61% | 0.611 | S | S | * | * | trans | -62.7 | 120.2 | -176.7 | -161.5 | 172.5 | -177 | 0 | 0 | 107.6 | Q20 V24 | Q20-E22 PolarHBondContact O-N 3.37Å; E22-V24 HydrophobicContact CB-CG2 4.36Å; E22-V24 HydrophobicContact CG-CG2 4.44Å; E22-V24 WeakPolarHBondContact O-CG2 3.49Å; E22-V24 PolarHBondContact O-N 3.12Å | ||
| 23 | E | 74.9 | Confident | 57.7 | Low | 117 Ų | 117 | 101.9 Ų | 101.9 | 55% | 0.547 | 58% | 0.581 | S | S | . | * | trans | -66.4 | 107.3 | 175.8 | -66.1 | -178.2 | 175.3 | 0 | 0 | 107.5 | Q21 F42 T64 | Q21-E23 PolarHBondContact O-N 3.09Å; Q21-E23 VanDerWaalsContact O-N 3.14Å; E23-F42 HydrophobicContact CB-CB 4.18Å; E23-F42 HydrophobicContact CB-CD1 4.05Å; E23-F42 HydrophobicContact CB-CD2 4.2Å; E23-F42 HydrophobicContact CB-CG 3.88Å; E23-F42 HydrophobicContact CG-CD1 3.76Å; E23-F42 HydrophobicContact CG-CD2 4.4Å; E23-F42 HydrophobicContact CG-CE1 3.82Å; E23-F42 HydrophobicContact CG-CE2 4.46Å; E23-F42 HydrophobicContact CG-CG 4.07Å; E23-F42 HydrophobicContact CG-CZ 4.19Å; E23-T64 WeakPolarHBondContact O-CG2 3.46Å | ||
| 24 | V | 80.3 | Confident | 60.1 | Low | 76 Ų | 76 | 100 Ų | 100 | 46% | 0.461 | 57% | 0.567 | S | S | . | * | trans | -111.7 | 132.1 | -179.3 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | E22 | E22-V24 HydrophobicContact CB-CG2 4.36Å; E22-V24 HydrophobicContact CG-CG2 4.44Å; E22-V24 WeakPolarHBondContact O-CG2 3.49Å; E22-V24 PolarHBondContact O-N 3.12Å | ||
| 25 | C | 82.5 | Confident | 62.4 | Low | 6 Ų | 6 | 99 Ų | 99 | 4% | 0.041 | 55% | 0.546 | C | S | . | . | trans | -93.9 | 103.3 | 165.5 | 176.3 | 0 | 0 | 0 | 0 | 108.7 | K27 C43 C62 T64 | C25-K27 PolarHBondContact O-N 3.28Å; C25-C43 WeakPolarHBondContact CA-SG 3.1Å; C25-C43 HydrophobicContact CB-CB 4.05Å; C25-C43 WeakPolarHBondContact CB-SG 3.47Å; C25-C43 WeakPolarHBondContact SG-CA 3.37Å; C25-C43 WeakPolarHBondContact SG-CB 3.35Å; C25-C43 CovalentContact SG-SG 2.04Å; C25-C43 PolarHBondContact SG-SG 2.74Å; C25-C62 VanDerWaalsContact SG-SG 3.65Å; C25-T64 HydrophobicContact CB-CG2 3.98Å | ||
| 26 | S | 72 | Confident | 64.9 | Low | 81 Ų | 81 | 90.6 Ų | 90.6 | 57% | 0.566 | 51% | 0.51 | S | S | * | . | trans | -76.2 | 114.4 | 176.6 | -62.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 27 | K | 67 | Low | 67.2 | Low | 94 Ų | 94 | 82.1 Ų | 82.1 | 41% | 0.409 | 47% | 0.471 | S | S | . | . | trans | -93.6 | 116.2 | -176.9 | -51.9 | -176.6 | -163.8 | -171.3 | 0 | 109.9 | C25 I30 C62 E63 | C25-K27 PolarHBondContact O-N 3.28Å; K27-I30 HydrophobicContact CB-CD1 3.73Å; K27-I30 HydrophobicContact CB-CG1 4.4Å; K27-I30 HydrophobicContact CD-CD1 4.35Å; K27-I30 HydrophobicContact CG-CD1 3.81Å; K27-C62 WeakPolarHBondContact CE-O 3.45Å; K27-C62 PolarHBondContact NZ-O 2.96Å; K27-E63 WeakPolarHBondContact CE-OE2 3.36Å; K27-E63 IonicContact NZ-OE2 2.86Å; K27-E63 PolarHBondContact NZ-OE2 3.47Å | ||
| 28 | S | 57.3 | Low | 69.6 | Low | 90 Ų | 90 | 81.8 Ų | 81.8 | 63% | 0.629 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -129.6 | 108.6 | 168.1 | 59 | 0 | 0 | 0 | 0 | 109.5 | ||
| 29 | A | 64 | Low | 72 | Confident | 93 Ų | 93 | 76.1 Ų | 76.1 | 77% | 0.769 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 52.1 | 63.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 30 | I | 75.9 | Confident | 74.3 | Confident | 14 Ų | 14 | 69.9 Ų | 69.9 | 7% | 0.072 | 39% | 0.388 | C | S | . | . | trans | -89.6 | 111.9 | -178.1 | -55.4 | -178.7 | 0 | 0 | 0 | 110.1 | K27 C36 W45 A59 C62 | K27-I30 HydrophobicContact CB-CD1 3.73Å; K27-I30 HydrophobicContact CB-CG1 4.4Å; K27-I30 HydrophobicContact CD-CD1 4.35Å; K27-I30 HydrophobicContact CG-CD1 3.81Å; I30-C36 HydrophobicContact CG2-CB 3.98Å; I30-W45 HydrophobicContact CG2-CZ3 3.82Å; I30-A59 HydrophobicContact CB-CB 4.11Å; I30-C62 HydrophobicContact CD1-CB 3.47Å; I30-C62 VanDerWaalsContact CD1-CB 3.47Å; I30-C62 WeakPolarHBondContact CD1-SG 3.43Å; I30-C62 HydrophobicContact CG2-CB 3.91Å | ||
| 31 | T | 75.4 | Confident | 76.6 | Confident | 105 Ų | 105 | 63.5 Ų | 63.5 | 64% | 0.644 | 36% | 0.361 | S | S | * | . | trans | -114.2 | -18.8 | 177.9 | 66 | 0 | 0 | 0 | 0 | 113.4 | D35 I478 | T31-D35 PolarHBondContact N-OD2 3.11Å; T31-D35 VanDerWaalsContact N-OD2 3.14Å; T31-D35 PolarHBondContact OG1-OD2 3.39Å; T31-I478 WeakPolarHBondContact O-CD1 3.44Å | ||
| 32 | S | 84.1 | Confident | 78.6 | Confident | 34 Ų | 34 | 58.3 Ų | 58.3 | 24% | 0.238 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -141.3 | 166.7 | -178.5 | 72.1 | 0 | 0 | 0 | 0 | 112.4 | K34 D35 C36 | S32-K34 VanDerWaalsContact C-N 3.27Å; S32-K34 PolarHBondContact O-N 2.86Å; S32-D35 PolarHBondContact N-OD2 2.94Å; S32-D35 PolarHBondContact O-N 2.83Å; S32-D35 PolarHBondContact OG-N 3.13Å; S32-D35 PolarHBondContact OG-OD1 3.21Å; S32-D35 PolarHBondContact OG-OD2 3.43Å; S32-C36 PolarHBondContact O-N 3.48Å |
| 33 | C | 87.9 | Confident | 80.1 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.034 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -38.7 | 172.9 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | D35 C36 I37 W45 C455 C476 | C33-D35 PolarHBondContact O-N 3.32Å; C33-C36 WeakPolarHBondContact O-CB 3.39Å; C33-C36 PolarHBondContact O-N 2.8Å; C33-I37 WeakPolarHBondContact O-CG1 3.37Å; C33-I37 PolarHBondContact O-N 2.83Å; C33-W45 HydrophobicContact CB-CB 4.35Å; C33-W45 HydrophobicContact CB-CD2 3.94Å; C33-W45 HydrophobicContact CB-CG 3.76Å; C33-W45 WeakPolarHBondContact SG-CB 3.33Å; C33-W45 VanDerWaalsContact SG-CD1 3.52Å; C33-C455 HydrophobicContact CB-CB 3.75Å; C33-C455 WeakPolarHBondContact CB-SG 3.49Å; C33-C455 PolarHBondContact O-SG 3.42Å; C33-C455 WeakPolarHBondContact SG-CB 3.45Å; C33-C455 CovalentContact SG-SG 2.02Å; C33-C455 PolarHBondContact SG-SG 3.28Å; C33-C476 HydrophobicContact CB-CB 3.87Å |
| 34 | K | 87.2 | Confident | 80.9 | Confident | 88 Ų | 88 | 45.2 Ų | 45.2 | 38% | 0.383 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.2 | -50.2 | 176.2 | 178.7 | 174.6 | -178.3 | 165.4 | 0 | 111.1 | S32 C36 I37 T38 E454 | S32-K34 VanDerWaalsContact C-N 3.27Å; S32-K34 PolarHBondContact O-N 2.86Å; K34-C36 PolarHBondContact O-N 2.9Å; K34-I37 PolarHBondContact O-N 2.91Å; K34-I37 VanDerWaalsContact O-N 3.13Å; K34-T38 WeakPolarHBondContact O-CG2 3.44Å; K34-T38 PolarHBondContact O-N 3.28Å; K34-T38 PolarHBondContact O-OG1 3.44Å; K34-T38 VanDerWaalsContact O-OG1 3.11Å; K34-E454 WeakPolarHBondContact CD-OE1 3.3Å; K34-E454 VanDerWaalsContact CE-OE1 3.3Å; K34-E454 WeakPolarHBondContact CE-OE1 3.42Å; K34-E454 IonicContact NZ-OE1 2.75Å; K34-E454 PolarHBondContact NZ-OE1 3.42Å |
| 35 | D | 85.6 | Confident | 81.5 | Confident | 47 Ų | 47 | 41.6 Ų | 41.6 | 25% | 0.251 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.6 | -42.2 | 178.8 | -53.6 | -28.7 | 0 | 0 | 0 | 111 | T31 S32 C33 T38 S39 | T31-D35 PolarHBondContact N-OD2 3.11Å; T31-D35 VanDerWaalsContact N-OD2 3.14Å; T31-D35 PolarHBondContact OG1-OD2 3.39Å; S32-D35 PolarHBondContact N-OD2 2.94Å; S32-D35 PolarHBondContact O-N 2.83Å; S32-D35 PolarHBondContact OG-N 3.13Å; S32-D35 PolarHBondContact OG-OD1 3.21Å; S32-D35 PolarHBondContact OG-OD2 3.43Å; C33-D35 PolarHBondContact O-N 3.32Å; D35-T38 WeakPolarHBondContact CA-OG1 3.46Å; D35-T38 PolarHBondContact O-N 2.98Å; D35-T38 PolarHBondContact O-OG1 2.99Å; D35-S39 WeakPolarHBondContact O-CB 3.29Å; D35-S39 PolarHBondContact O-N 2.89Å; D35-S39 PolarHBondContact O-OG 2.63Å |
| 36 | C | 88.3 | Confident | 82 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 176.6 | 175.6 | 0 | 0 | 0 | 0 | 112.4 | I30 S32 C33 K34 T38 S39 C43 S44 W45 C62 | I30-C36 HydrophobicContact CG2-CB 3.98Å; S32-C36 PolarHBondContact O-N 3.48Å; C33-C36 WeakPolarHBondContact O-CB 3.39Å; C33-C36 PolarHBondContact O-N 2.8Å; K34-C36 PolarHBondContact O-N 2.9Å; C36-T38 VanDerWaalsContact C-N 3.26Å; C36-T38 PolarHBondContact O-N 3.19Å; C36-S39 WeakPolarHBondContact O-CB 3.24Å; C36-S39 PolarHBondContact O-N 3.2Å; C36-C43 WeakPolarHBondContact O-CB 3.21Å; C36-S44 PolarHBondContact SG-O 3.06Å; C36-S44 VanDerWaalsContact SG-O 3.33Å; C36-W45 HydrophobicContact CB-CE3 3.7Å; C36-W45 HydrophobicContact CB-CZ3 4.34Å; C36-C62 WeakPolarHBondContact CA-SG 3.14Å; C36-C62 HydrophobicContact CB-CB 3.6Å; C36-C62 WeakPolarHBondContact CB-SG 3.38Å; C36-C62 VanDerWaalsContact SG-CA 3.54Å; C36-C62 WeakPolarHBondContact SG-CB 3.47Å; C36-C62 CovalentContact SG-SG 2.02Å; C36-C62 PolarHBondContact SG-SG 2.77Å |
| 37 | I | 87.3 | Confident | 83 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.6 | -34.5 | -178.8 | -63.1 | -47.4 | 0 | 0 | 0 | 111.3 | C33 K34 P81 R115 | C33-I37 WeakPolarHBondContact O-CG1 3.37Å; C33-I37 PolarHBondContact O-N 2.83Å; K34-I37 PolarHBondContact O-N 2.91Å; K34-I37 VanDerWaalsContact O-N 3.13Å; I37-P81 HydrophobicContact CD1-CG 4.4Å; I37-P81 HydrophobicContact CG1-CG 4.22Å; I37-P81 HydrophobicContact CG2-CG 4.07Å; I37-R115 HydrophobicContact CG2-CG 4.31Å; I37-R115 PolarHBondContact O-NH2 3.38Å |
| 38 | T | 85.3 | Confident | 84.1 | Confident | 58 Ų | 58 | 36.7 Ų | 36.7 | 36% | 0.356 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -79 | -18.1 | 176.6 | 57.4 | 0 | 0 | 0 | 0 | 114.4 | K34 D35 C36 G40 C427 C453 | K34-T38 WeakPolarHBondContact O-CG2 3.44Å; K34-T38 PolarHBondContact O-N 3.28Å; K34-T38 PolarHBondContact O-OG1 3.44Å; K34-T38 VanDerWaalsContact O-OG1 3.11Å; D35-T38 WeakPolarHBondContact CA-OG1 3.46Å; D35-T38 PolarHBondContact O-N 2.98Å; D35-T38 PolarHBondContact O-OG1 2.99Å; C36-T38 VanDerWaalsContact C-N 3.26Å; C36-T38 PolarHBondContact O-N 3.19Å; T38-G40 VanDerWaalsContact C-N 3.29Å; T38-G40 PolarHBondContact O-N 3.04Å; T38-C427 VanDerWaalsContact CG2-SG 3.52Å; T38-C453 HydrophobicContact CG2-CB 4.32Å |
| 39 | S | 83.6 | Confident | 85.5 | Confident | 33 Ų | 33 | 35.5 Ų | 35.5 | 23% | 0.231 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.6 | -28.6 | -177.5 | -67.4 | 0 | 0 | 0 | 0 | 112.8 | D35 C36 | D35-S39 WeakPolarHBondContact O-CB 3.29Å; D35-S39 PolarHBondContact O-N 2.89Å; D35-S39 PolarHBondContact O-OG 2.63Å; C36-S39 WeakPolarHBondContact O-CB 3.24Å; C36-S39 PolarHBondContact O-N 3.2Å |
| 40 | G | 82.7 | Confident | 86.5 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 11% | 0.113 | 20% | 0.201 | C | C | . | . | trans | -179.3 | 164.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T38 F42 C43 R115 | T38-G40 VanDerWaalsContact C-N 3.29Å; T38-G40 PolarHBondContact O-N 3.04Å; G40-F42 VanDerWaalsContact C-N 3.32Å; G40-F42 PolarHBondContact O-N 3.46Å; G40-C43 WeakPolarHBondContact O-CB 3.48Å; G40-C43 PolarHBondContact O-N 2.81Å; G40-R115 PolarHBondContact O-NH2 2.8Å | ||
| 41 | P | 83.9 | Confident | 87 | Confident | 34 Ų | 34 | 37.1 Ų | 37.1 | 22% | 0.221 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -35 | -175.5 | 19.5 | -29.9 | 0 | 0 | 0 | 113.9 | R115 G117 L118 | P41-R115 VanDerWaalsContact O-CZ 3.24Å; P41-R115 PolarHBondContact O-NH1 2.89Å; P41-R115 PolarHBondContact O-NH2 3.37Å; P41-G117 WeakPolarHBondContact CB-O 3.39Å; P41-L118 HydrophobicContact CB-CB 4.07Å; P41-L118 HydrophobicContact CB-CD1 4.11Å |
| 42 | F | 87.6 | Confident | 87.3 | Confident | 79 Ų | 79 | 32.6 Ų | 32.6 | 35% | 0.346 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -3.9 | -176.2 | -54.7 | -68.9 | 0 | 0 | 0 | 113.4 | E23 G40 T64 | E23-F42 HydrophobicContact CB-CB 4.18Å; E23-F42 HydrophobicContact CB-CD1 4.05Å; E23-F42 HydrophobicContact CB-CD2 4.2Å; E23-F42 HydrophobicContact CB-CG 3.88Å; E23-F42 HydrophobicContact CG-CD1 3.76Å; E23-F42 HydrophobicContact CG-CD2 4.4Å; E23-F42 HydrophobicContact CG-CE1 3.82Å; E23-F42 HydrophobicContact CG-CE2 4.46Å; E23-F42 HydrophobicContact CG-CG 4.07Å; E23-F42 HydrophobicContact CG-CZ 4.19Å; G40-F42 VanDerWaalsContact C-N 3.32Å; G40-F42 PolarHBondContact O-N 3.46Å; F42-T64 HydrophobicContact CB-CG2 4.36Å |
| 43 | C | 89.3 | Confident | 86.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 139.5 | 177.5 | -68 | 0 | 0 | 0 | 0 | 110.6 | C25 C36 G40 R115 | C25-C43 WeakPolarHBondContact CA-SG 3.1Å; C25-C43 HydrophobicContact CB-CB 4.05Å; C25-C43 WeakPolarHBondContact CB-SG 3.47Å; C25-C43 WeakPolarHBondContact SG-CA 3.37Å; C25-C43 WeakPolarHBondContact SG-CB 3.35Å; C25-C43 CovalentContact SG-SG 2.04Å; C25-C43 PolarHBondContact SG-SG 2.74Å; C36-C43 WeakPolarHBondContact O-CB 3.21Å; G40-C43 WeakPolarHBondContact O-CB 3.48Å; G40-C43 PolarHBondContact O-N 2.81Å; C43-R115 VanDerWaalsContact O-CZ 3.31Å; C43-R115 PolarHBondContact O-NH1 3.13Å; C43-R115 VanDerWaalsContact O-NH1 3.12Å; C43-R115 PolarHBondContact O-NH2 2.99Å |
| 44 | S | 91.8 | Very high | 85.7 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 155.4 | 175.4 | -60.1 | 0 | 0 | 0 | 0 | 107.9 | C36 C62 E63 L68 I79 S80 | C36-S44 PolarHBondContact SG-O 3.06Å; C36-S44 VanDerWaalsContact SG-O 3.33Å; S44-C62 VanDerWaalsContact O-CA 3.32Å; S44-C62 WeakPolarHBondContact O-CA 3.49Å; S44-E63 CarbonylContact C-O 3.49Å; S44-E63 WeakPolarHBondContact CA-O 3.2Å; S44-E63 WeakPolarHBondContact CB-O 3.24Å; S44-E63 PolarHBondContact N-O 3.48Å; S44-E63 PolarHBondContact O-N 3.46Å; S44-L68 WeakPolarHBondContact O-CD1 3.33Å; S44-I79 WeakPolarHBondContact CA-O 3.33Å; S44-S80 WeakPolarHBondContact OG-CB 3.43Å; S44-S80 PolarHBondContact OG-OG 3.5Å |
| 45 | W | 92.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.4 | -175.6 | -179.1 | -94.7 | 0 | 0 | 0 | 111.4 | I30 C33 C36 E58 R61 C62 I78 I79 C476 I478 | I30-W45 HydrophobicContact CG2-CZ3 3.82Å; C33-W45 HydrophobicContact CB-CB 4.35Å; C33-W45 HydrophobicContact CB-CD2 3.94Å; C33-W45 HydrophobicContact CB-CG 3.76Å; C33-W45 WeakPolarHBondContact SG-CB 3.33Å; C33-W45 VanDerWaalsContact SG-CD1 3.52Å; C36-W45 HydrophobicContact CB-CE3 3.7Å; C36-W45 HydrophobicContact CB-CZ3 4.34Å; W45-E58 WeakPolarHBondContact CH2-O 2.99Å; W45-R61 CarbonylContact C-O 3.55Å; W45-R61 WeakPolarHBondContact CA-O 3.46Å; W45-R61 HydrophobicContact CD2-CB 3.88Å; W45-R61 HydrophobicContact CE3-CB 3.75Å; W45-R61 HydrophobicContact CH2-CB 3.64Å; W45-R61 HydrophobicContact CH2-CG 4.3Å; W45-R61 HydrophobicContact CZ2-CB 3.76Å; W45-R61 HydrophobicContact CZ2-CG 4.22Å; W45-R61 HydrophobicContact CZ3-CB 3.63Å; W45-C62 HydrophobicContact CE3-CB 3.85Å; W45-C62 HydrophobicContact CZ3-CB 4.06Å; W45-I78 CarbonylContact O-C 3.53Å; W45-I78 WeakPolarHBondContact O-CA 3.31Å; W45-I79 HydrophobicContact CB-CB 4.34Å; W45-I79 PolarHBondContact N-O 3.31Å; W45-I79 PolarHBondContact O-N 3.02Å; W45-C476 PolarHBondContact NE1-O 3.07Å; W45-I478 HydrophobicContact CH2-CG2 4.39Å; W45-I478 HydrophobicContact CZ2-CG2 3.84Å |
| 46 | C | 93.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 114 | 173.6 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | F51 R61 L68 C73 | C46-F51 HydrophobicContact CB-CD1 4.17Å; C46-F51 HydrophobicContact CB-CE1 4.16Å; C46-F51 HydrophobicContact CB-CG 4.34Å; C46-F51 HydrophobicContact CB-CZ 4.35Å; C46-R61 HydrophobicContact CB-CB 4.48Å; C46-R61 PolarHBondContact N-O 3.2Å; C46-R61 PolarHBondContact O-NH1 2.89Å; C46-L68 HydrophobicContact CB-CD1 4.24Å; C46-L68 HydrophobicContact CB-CD2 4.19Å; C46-C73 HydrophobicContact CB-CB 3.93Å; C46-C73 WeakPolarHBondContact CB-SG 3.01Å; C46-C73 WeakPolarHBondContact SG-CB 3.44Å; C46-C73 CovalentContact SG-SG 2.03Å; C46-C73 PolarHBondContact SG-SG 3.29Å |
| 47 | K | 92 | Very high | 82.7 | Confident | 42 Ų | 42 | 42.5 Ų | 42.5 | 18% | 0.183 | 25% | 0.245 | C | C | . | . | trans | -88.5 | -1.4 | 177.7 | 84.6 | -173.3 | -172.9 | 168.4 | 0 | 114.2 | L49 E77 I79 C457 G477 | K47-L49 PolarHBondContact O-N 3.04Å; K47-E77 WeakPolarHBondContact CE-OE2 3.42Å; K47-E77 HydrophobicContact CG-CB 4.21Å; K47-E77 WeakPolarHBondContact CG-O 3.42Å; K47-E77 WeakPolarHBondContact CG-OE2 3.38Å; K47-E77 PolarHBondContact N-O 3.37Å; K47-I79 HydrophobicContact CB-CD1 4.08Å; K47-I79 HydrophobicContact CB-CG1 4.49Å; K47-I79 HydrophobicContact CD-CD1 3.94Å; K47-I79 HydrophobicContact CD-CG1 4.14Å; K47-C457 PolarHBondContact NZ-O 2.61Å; K47-G477 WeakPolarHBondContact O-CA 3.3Å | ||
| 48 | E | 90.9 | Very high | 82.3 | Confident | 35 Ų | 35 | 44.1 Ų | 44.1 | 16% | 0.164 | 25% | 0.252 | C | S | . | . | trans | -62.5 | 132.1 | -177.6 | -171.4 | 159.6 | -160.9 | 0 | 0 | 112 | F51 R61 C73 K74 E77 | E48-F51 WeakPolarHBondContact O-CB 3.35Å; E48-R61 PolarHBondContact O-NH1 3.45Å; E48-C73 WeakPolarHBondContact OE2-CA 3.29Å; E48-K74 WeakPolarHBondContact OE1-CD 3.34Å; E48-K74 WeakPolarHBondContact OE1-CE 3.46Å; E48-K74 IonicContact OE1-NZ 3.73Å; E48-K74 PolarHBondContact OE1-NZ 2.88Å; E48-K74 VanDerWaalsContact OE1-NZ 3.1Å; E48-K74 PolarHBondContact OE2-N 3Å; E48-E77 HydrophobicContact CB-CB 3.9Å; E48-E77 HydrophobicContact CB-CG 4.05Å; E48-E77 HydrophobicContact CG-CG 4.38Å | ||
| 49 | L | 86.9 | Confident | 82.1 | Confident | 65 Ų | 65 | 42.1 Ų | 42.1 | 34% | 0.34 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 147.9 | 179.2 | -57.8 | -178.7 | 0 | 0 | 0 | 111.2 | K47 F51 I474 | K47-L49 PolarHBondContact O-N 3.04Å; L49-F51 PolarHBondContact O-N 3.46Å; L49-I474 HydrophobicContact CD1-CD1 3.91Å; L49-I474 HydrophobicContact CD2-CD1 3.71Å; L49-I474 HydrophobicContact CD2-CG2 4.44Å; L49-I474 HydrophobicContact CG-CD1 4.48Å |
| 50 | N | 84.6 | Confident | 82.1 | Confident | 119 Ų | 119 | 41.2 Ų | 41.2 | 64% | 0.636 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 25.9 | -175.6 | -55.1 | -49 | 0 | 0 | 0 | 115.4 | H467 | N50-H467 PolarHBondContact N-NE2 3.1Å; N50-H467 PolarHBondContact OD1-CD2 2.79Å; N50-H467 PolarHBondContact OD1-NE2 2.73Å |
| 51 | F | 86.6 | Confident | 82.4 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 10% | 0.096 | 23% | 0.23 | C | C | . | . | trans | -69.7 | -37.1 | 176.3 | 175.9 | -103.7 | 0 | 0 | 0 | 113.3 | C46 E48 L49 R61 L68 R71 C73 | C46-F51 HydrophobicContact CB-CD1 4.17Å; C46-F51 HydrophobicContact CB-CE1 4.16Å; C46-F51 HydrophobicContact CB-CG 4.34Å; C46-F51 HydrophobicContact CB-CZ 4.35Å; E48-F51 WeakPolarHBondContact O-CB 3.35Å; L49-F51 PolarHBondContact O-N 3.46Å; F51-R61 HydrophobicContact CD1-CG 3.88Å; F51-R61 HydrophobicContact CE1-CG 4.46Å; F51-L68 HydrophobicContact CE1-CD2 4.13Å; F51-L68 HydrophobicContact CZ-CD2 3.86Å; F51-R71 HydrophobicContact CE2-CB 4.32Å; F51-R71 HydrophobicContact CE2-CG 4.02Å; F51-R71 HydrophobicContact CZ-CB 4.2Å; F51-R71 HydrophobicContact CZ-CG 3.84Å; F51-C73 HydrophobicContact CD2-CB 4Å; F51-C73 HydrophobicContact CE2-CB 3.6Å; F51-C73 HydrophobicContact CZ-CB 4.28Å | ||
| 52 | T | 82.5 | Confident | 82.7 | Confident | 10 Ų | 10 | 39 Ų | 39 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -80.5 | 138.1 | 175.9 | 43.2 | 0 | 0 | 0 | 0 | 110.4 | A60 R61 Q488 | T52-A60 HydrophobicContact CG2-CB 4.3Å; T52-R61 HydrophobicContact CG2-CG 4.11Å; T52-Q488 PolarHBondContact OG1-NE2 2.74Å |
| 53 | K | 75.1 | Confident | 82.9 | Confident | 160 Ų | 160 | 36.6 Ų | 36.6 | 70% | 0.696 | 21% | 0.21 | S | C | * | . | P | Polyproline II helix | trans | -79.8 | 161.4 | 174.6 | -65.1 | 178.4 | -176.9 | 174.8 | 0 | 110 | G55 E56 | K53-G55 PolarHBondContact O-N 2.94Å; K53-E56 PolarHBondContact N-OE2 3.27Å; K53-E56 WeakPolarHBondContact O-CB 3.46Å; K53-E56 PolarHBondContact O-N 3.09Å; K53-E56 VanDerWaalsContact O-N 3.1Å |
| 54 | G | 61.3 | Low | 83 | Confident | 81 Ų | 81 | 37 Ų | 37 | 84% | 0.835 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 124.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 55 | G | 57.7 | Low | 83 | Confident | 32 Ų | 32 | 40.7 Ų | 40.7 | 33% | 0.33 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 13.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | K53 D519 H528 | K53-G55 PolarHBondContact O-N 2.94Å; G55-D519 WeakPolarHBondContact CA-OD2 3.21Å; G55-H528 PolarHBondContact O-CD2 3.44Å; G55-H528 PolarHBondContact O-NE2 3.24Å |
| 56 | E | 70.1 | Confident | 82.8 | Confident | 46 Ų | 46 | 44 Ų | 44 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | trans | -113.7 | 137.8 | 177.5 | -176.3 | 174.2 | -150 | 0 | 0 | 112.1 | K53 A60 R71 Q488 | K53-E56 PolarHBondContact N-OE2 3.27Å; K53-E56 WeakPolarHBondContact O-CB 3.46Å; K53-E56 PolarHBondContact O-N 3.09Å; K53-E56 VanDerWaalsContact O-N 3.1Å; E56-A60 HydrophobicContact CG-CB 3.86Å; E56-R71 IonicContact OE1-CZ 3.74Å; E56-R71 IonicContact OE1-NH1 3.91Å; E56-R71 PolarHBondContact OE1-NH1 3.03Å; E56-R71 IonicContact OE1-NH2 3.1Å; E56-R71 PolarHBondContact OE1-NH2 3.35Å; E56-R71 IonicContact OE2-CZ 3.05Å; E56-R71 IonicContact OE2-NH2 2.74Å; E56-R71 PolarHBondContact OE2-NH2 3.07Å; E56-Q488 PolarHBondContact O-NE2 3.42Å | ||
| 57 | Q | 71.3 | Confident | 82.7 | Confident | 64 Ų | 64 | 48.9 Ų | 48.9 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | trans | -66.4 | 147.3 | -177.9 | -62.7 | -171.5 | -10.8 | 0 | 0 | 113.2 | A59 A60 G516 H528 | Q57-A59 HydrophobicContact CB-CB 4.18Å; Q57-A59 PolarHBondContact O-N 2.85Å; Q57-A59 VanDerWaalsContact O-N 3.13Å; Q57-A60 WeakPolarHBondContact O-CB 3.44Å; Q57-A60 PolarHBondContact O-N 3.44Å; Q57-G516 VanDerWaalsContact NE2-C 3.34Å; Q57-G516 PolarHBondContact NE2-O 2.82Å; Q57-H528 WeakPolarHBondContact CG-CE1 3.17Å | ||
| 58 | E | 79.6 | Confident | 82.7 | Confident | 33 Ų | 33 | 46.9 Ų | 46.9 | 15% | 0.154 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -61.3 | -20.4 | 171 | -62.5 | -59 | 167.4 | 0 | 0 | 113.1 | W45 A60 R61 I478 Q488 | W45-E58 WeakPolarHBondContact CH2-O 2.99Å; E58-A60 PolarHBondContact O-N 3.12Å; E58-A60 VanDerWaalsContact O-N 3.14Å; E58-R61 VanDerWaalsContact O-CB 3.27Å; E58-R61 WeakPolarHBondContact O-CB 3.33Å; E58-R61 WeakPolarHBondContact O-CG 3.34Å; E58-R61 PolarHBondContact O-N 3.07Å; E58-R61 VanDerWaalsContact OE2-CD 3.25Å; E58-R61 WeakPolarHBondContact OE2-CD 3.44Å; E58-R61 IonicContact OE2-CZ 2.66Å; E58-R61 IonicContact OE2-NE 2.66Å; E58-R61 PolarHBondContact OE2-NE 3.48Å; E58-R61 IonicContact OE2-NH2 2.7Å; E58-I478 HydrophobicContact CB-CG2 4.09Å; E58-I478 HydrophobicContact CG-CG2 3.92Å; E58-I478 WeakPolarHBondContact OE2-CG2 3.15Å; E58-Q488 HydrophobicContact CG-CG 4.37Å; E58-Q488 VanDerWaalsContact OE1-CD 3.32Å; E58-Q488 WeakPolarHBondContact OE1-CG 3.45Å; E58-Q488 PolarHBondContact OE1-NE2 2.84Å |
| 59 | A | 79.4 | Confident | 82.8 | Confident | 17 Ų | 17 | 48.6 Ų | 48.6 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -57.6 | -23 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | I30 Q57 R61 C62 | I30-A59 HydrophobicContact CB-CB 4.11Å; Q57-A59 HydrophobicContact CB-CB 4.18Å; Q57-A59 PolarHBondContact O-N 2.85Å; Q57-A59 VanDerWaalsContact O-N 3.13Å; A59-R61 PolarHBondContact O-N 3.4Å; A59-C62 PolarHBondContact O-N 3.06Å |
| 60 | A | 84.3 | Confident | 83 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 11% | 0.107 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -64.7 | -21.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T52 E56 Q57 E58 C62 | T52-A60 HydrophobicContact CG2-CB 4.3Å; E56-A60 HydrophobicContact CG-CB 3.86Å; Q57-A60 WeakPolarHBondContact O-CB 3.44Å; Q57-A60 PolarHBondContact O-N 3.44Å; E58-A60 PolarHBondContact O-N 3.12Å; E58-A60 VanDerWaalsContact O-N 3.14Å; A60-C62 PolarHBondContact O-N 3.47Å |
| 61 | R | 89.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -68.3 | -19.8 | 171.8 | -65.4 | 176 | 176.6 | -82.8 | -3.5 | 112.8 | W45 C46 E48 F51 T52 E58 A59 L68 G477 | W45-R61 CarbonylContact C-O 3.55Å; W45-R61 WeakPolarHBondContact CA-O 3.46Å; W45-R61 HydrophobicContact CD2-CB 3.88Å; W45-R61 HydrophobicContact CE3-CB 3.75Å; W45-R61 HydrophobicContact CH2-CB 3.64Å; W45-R61 HydrophobicContact CH2-CG 4.3Å; W45-R61 HydrophobicContact CZ2-CB 3.76Å; W45-R61 HydrophobicContact CZ2-CG 4.22Å; W45-R61 HydrophobicContact CZ3-CB 3.63Å; C46-R61 HydrophobicContact CB-CB 4.48Å; C46-R61 PolarHBondContact N-O 3.2Å; C46-R61 PolarHBondContact O-NH1 2.89Å; E48-R61 PolarHBondContact O-NH1 3.45Å; F51-R61 HydrophobicContact CD1-CG 3.88Å; F51-R61 HydrophobicContact CE1-CG 4.46Å; T52-R61 HydrophobicContact CG2-CG 4.11Å; E58-R61 VanDerWaalsContact O-CB 3.27Å; E58-R61 WeakPolarHBondContact O-CB 3.33Å; E58-R61 WeakPolarHBondContact O-CG 3.34Å; E58-R61 PolarHBondContact O-N 3.07Å; E58-R61 VanDerWaalsContact OE2-CD 3.25Å; E58-R61 WeakPolarHBondContact OE2-CD 3.44Å; E58-R61 IonicContact OE2-CZ 2.66Å; E58-R61 IonicContact OE2-NE 2.66Å; E58-R61 PolarHBondContact OE2-NE 3.48Å; E58-R61 IonicContact OE2-NH2 2.7Å; A59-R61 PolarHBondContact O-N 3.4Å; R61-L68 WeakPolarHBondContact O-CD2 3.43Å; R61-G477 VanDerWaalsContact CZ-O 3.3Å; R61-G477 PolarHBondContact NH2-O 3.18Å; R61-G477 VanDerWaalsContact NH2-O 3.15Å |
| 62 | C | 90.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 115 | 174.6 | -169 | 0 | 0 | 0 | 0 | 111 | C25 K27 I30 C36 S44 W45 A59 A60 | C25-C62 VanDerWaalsContact SG-SG 3.65Å; K27-C62 WeakPolarHBondContact CE-O 3.45Å; K27-C62 PolarHBondContact NZ-O 2.96Å; I30-C62 HydrophobicContact CD1-CB 3.47Å; I30-C62 VanDerWaalsContact CD1-CB 3.47Å; I30-C62 WeakPolarHBondContact CD1-SG 3.43Å; I30-C62 HydrophobicContact CG2-CB 3.91Å; C36-C62 WeakPolarHBondContact CA-SG 3.14Å; C36-C62 HydrophobicContact CB-CB 3.6Å; C36-C62 WeakPolarHBondContact CB-SG 3.38Å; C36-C62 VanDerWaalsContact SG-CA 3.54Å; C36-C62 WeakPolarHBondContact SG-CB 3.47Å; C36-C62 CovalentContact SG-SG 2.02Å; C36-C62 PolarHBondContact SG-SG 2.77Å; S44-C62 VanDerWaalsContact O-CA 3.32Å; S44-C62 WeakPolarHBondContact O-CA 3.49Å; W45-C62 HydrophobicContact CE3-CB 3.85Å; W45-C62 HydrophobicContact CZ3-CB 4.06Å; A59-C62 PolarHBondContact O-N 3.06Å; A60-C62 PolarHBondContact O-N 3.47Å |
| 63 | E | 91.5 | Very high | 84 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 13% | 0.131 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 174.5 | 174.6 | -168.4 | 53.9 | -93.7 | 0 | 0 | 109.4 | K27 S44 K67 L68 | K27-E63 WeakPolarHBondContact CE-OE2 3.36Å; K27-E63 IonicContact NZ-OE2 2.86Å; K27-E63 PolarHBondContact NZ-OE2 3.47Å; S44-E63 CarbonylContact C-O 3.49Å; S44-E63 WeakPolarHBondContact CA-O 3.2Å; S44-E63 WeakPolarHBondContact CB-O 3.24Å; S44-E63 PolarHBondContact N-O 3.48Å; S44-E63 PolarHBondContact O-N 3.46Å; E63-K67 HydrophobicContact CB-CB 4.45Å; E63-K67 HydrophobicContact CG-CB 3.41Å; E63-K67 VanDerWaalsContact CG-CB 3.41Å; E63-K67 HydrophobicContact CG-CD 3.51Å; E63-K67 HydrophobicContact CG-CG 4.1Å; E63-K67 IonicContact OE1-NZ 2.79Å; E63-L68 HydrophobicContact CB-CD2 3.75Å; E63-L68 HydrophobicContact CB-CG 3.94Å |
| 64 | T | 90.9 | Very high | 84.8 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.043 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 148.4 | 169.3 | 68.9 | 0 | 0 | 0 | 0 | 112.4 | E23 C25 F42 A66 K67 L68 | E23-T64 WeakPolarHBondContact O-CG2 3.46Å; C25-T64 HydrophobicContact CB-CG2 3.98Å; F42-T64 HydrophobicContact CB-CG2 4.36Å; T64-A66 PolarHBondContact O-N 3.02Å; T64-K67 PolarHBondContact O-N 2.94Å; T64-K67 VanDerWaalsContact O-N 3.12Å; T64-L68 PolarHBondContact O-N 3.01Å |
| 65 | R | 91 | Very high | 86.2 | Confident | 81 Ų | 81 | 52.6 Ų | 52.6 | 31% | 0.306 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -53.2 | -41.2 | -178.5 | -173.7 | 173.4 | -171.2 | 85.1 | 6.4 | 112.4 | M69 R75 I78 | R65-M69 HydrophobicContact CG-CE 3.77Å; R65-M69 HydrophobicContact CG-SD 4.36Å; R65-M69 VanDerWaalsContact O-CG 3.31Å; R65-M69 WeakPolarHBondContact O-CG 3.42Å; R65-M69 PolarHBondContact O-N 3.28Å; R65-M69 VanDerWaalsContact O-N 3.1Å; R65-R75 PolarHBondContact NH2-O 2.78Å; R65-I78 HydrophobicContact CG-CD1 4.33Å; R65-I78 HydrophobicContact CG-CG2 4.32Å |
| 66 | A | 89.9 | Confident | 87.8 | Confident | 69 Ų | 69 | 57.6 Ų | 57.6 | 57% | 0.57 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.6 | -45.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T64 M69 A70 | T64-A66 PolarHBondContact O-N 3.02Å; A66-M69 PolarHBondContact O-N 2.87Å; A66-A70 WeakPolarHBondContact O-CB 3Å; A66-A70 PolarHBondContact O-N 3.06Å |
| 67 | K | 90.9 | Very high | 88.8 | Confident | 103 Ų | 103 | 58 Ų | 58 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.2 | -37.6 | 179.1 | -76.3 | 178.2 | 178.7 | 179.5 | 0 | 112.2 | E63 T64 M69 A70 R71 | E63-K67 HydrophobicContact CB-CB 4.45Å; E63-K67 HydrophobicContact CG-CB 3.41Å; E63-K67 VanDerWaalsContact CG-CB 3.41Å; E63-K67 HydrophobicContact CG-CD 3.51Å; E63-K67 HydrophobicContact CG-CG 4.1Å; E63-K67 IonicContact OE1-NZ 2.79Å; T64-K67 PolarHBondContact O-N 2.94Å; T64-K67 VanDerWaalsContact O-N 3.12Å; K67-M69 VanDerWaalsContact C-N 3.34Å; K67-M69 PolarHBondContact O-N 3.04Å; K67-A70 PolarHBondContact O-N 3.16Å; K67-R71 VanDerWaalsContact O-CB 3.23Å; K67-R71 WeakPolarHBondContact O-CB 3.21Å; K67-R71 PolarHBondContact O-N 3.48Å |
| 68 | L | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 173.8 | -69.4 | -179.7 | 0 | 0 | 0 | 111.9 | S44 C46 F51 R61 E63 T64 R71 G72 C73 I78 | S44-L68 WeakPolarHBondContact O-CD1 3.33Å; C46-L68 HydrophobicContact CB-CD1 4.24Å; C46-L68 HydrophobicContact CB-CD2 4.19Å; F51-L68 HydrophobicContact CE1-CD2 4.13Å; F51-L68 HydrophobicContact CZ-CD2 3.86Å; R61-L68 WeakPolarHBondContact O-CD2 3.43Å; E63-L68 HydrophobicContact CB-CD2 3.75Å; E63-L68 HydrophobicContact CB-CG 3.94Å; T64-L68 PolarHBondContact O-N 3.01Å; L68-R71 PolarHBondContact O-N 2.85Å; L68-G72 PolarHBondContact O-N 2.75Å; L68-C73 HydrophobicContact CB-CB 4.2Å; L68-C73 WeakPolarHBondContact O-CB 3.46Å; L68-C73 PolarHBondContact O-N 3.35Å; L68-I78 HydrophobicContact CB-CD1 4.02Å; L68-I78 HydrophobicContact CB-CG1 4.4Å; L68-I78 HydrophobicContact CD1-CG1 4.37Å; L68-I78 HydrophobicContact CD1-CG2 4.15Å |
| 69 | M | 91.6 | Very high | 90.4 | Very high | 70 Ų | 70 | 55 Ų | 55 | 35% | 0.345 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 175.4 | -71.6 | 178.7 | 177.4 | 0 | 0 | 112 | R65 A66 K67 R71 G72 R75 I78 | R65-M69 HydrophobicContact CG-CE 3.77Å; R65-M69 HydrophobicContact CG-SD 4.36Å; R65-M69 VanDerWaalsContact O-CG 3.31Å; R65-M69 WeakPolarHBondContact O-CG 3.42Å; R65-M69 PolarHBondContact O-N 3.28Å; R65-M69 VanDerWaalsContact O-N 3.1Å; A66-M69 PolarHBondContact O-N 2.87Å; K67-M69 VanDerWaalsContact C-N 3.34Å; K67-M69 PolarHBondContact O-N 3.04Å; M69-R71 PolarHBondContact O-N 3.28Å; M69-G72 PolarHBondContact O-N 3.2Å; M69-R75 HydrophobicContact CE-CB 3.96Å; M69-R75 HydrophobicContact CE-CG 3.65Å; M69-I78 HydrophobicContact CE-CD1 3.84Å; M69-I78 HydrophobicContact CG-CD1 3.57Å |
| 70 | A | 91.4 | Very high | 90.9 | Very high | 93 Ų | 93 | 55.4 Ų | 55.4 | 77% | 0.769 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -59.6 | -29.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | A66 K67 G72 | A66-A70 WeakPolarHBondContact O-CB 3Å; A66-A70 PolarHBondContact O-N 3.06Å; K67-A70 PolarHBondContact O-N 3.16Å; A70-G72 VanDerWaalsContact C-N 3.33Å |
| 71 | R | 89.8 | Confident | 91.1 | Very high | 104 Ų | 104 | 55.6 Ų | 55.6 | 39% | 0.392 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -5.7 | 177.3 | -170.5 | 173.1 | 157.2 | 124.1 | 30.9 | 113.9 | F51 E56 K67 L68 M69 | F51-R71 HydrophobicContact CE2-CB 4.32Å; F51-R71 HydrophobicContact CE2-CG 4.02Å; F51-R71 HydrophobicContact CZ-CB 4.2Å; F51-R71 HydrophobicContact CZ-CG 3.84Å; E56-R71 IonicContact OE1-CZ 3.74Å; E56-R71 IonicContact OE1-NH1 3.91Å; E56-R71 PolarHBondContact OE1-NH1 3.03Å; E56-R71 IonicContact OE1-NH2 3.1Å; E56-R71 PolarHBondContact OE1-NH2 3.35Å; E56-R71 IonicContact OE2-CZ 3.05Å; E56-R71 IonicContact OE2-NH2 2.74Å; E56-R71 PolarHBondContact OE2-NH2 3.07Å; K67-R71 VanDerWaalsContact O-CB 3.23Å; K67-R71 WeakPolarHBondContact O-CB 3.21Å; K67-R71 PolarHBondContact O-N 3.48Å; L68-R71 PolarHBondContact O-N 2.85Å; M69-R71 PolarHBondContact O-N 3.28Å |
| 72 | G | 91.1 | Very high | 91 | Very high | 54 Ų | 54 | 61 Ų | 61 | 56% | 0.557 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.7 | 8.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | L68 M69 A70 | L68-G72 PolarHBondContact O-N 2.75Å; M69-G72 PolarHBondContact O-N 3.2Å; A70-G72 VanDerWaalsContact C-N 3.33Å |
| 73 | C | 93.9 | Very high | 91.2 | Very high | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.034 | 32% | 0.322 | C | S | . | . | trans | -70.9 | 129.1 | 172.6 | -169.6 | 0 | 0 | 0 | 0 | 110.5 | C46 E48 F51 L68 I78 | C46-C73 HydrophobicContact CB-CB 3.93Å; C46-C73 WeakPolarHBondContact CB-SG 3.01Å; C46-C73 WeakPolarHBondContact SG-CB 3.44Å; C46-C73 CovalentContact SG-SG 2.03Å; C46-C73 PolarHBondContact SG-SG 3.29Å; E48-C73 WeakPolarHBondContact OE2-CA 3.29Å; F51-C73 HydrophobicContact CD2-CB 4Å; F51-C73 HydrophobicContact CE2-CB 3.6Å; F51-C73 HydrophobicContact CZ-CB 4.28Å; L68-C73 HydrophobicContact CB-CB 4.2Å; L68-C73 WeakPolarHBondContact O-CB 3.46Å; L68-C73 PolarHBondContact O-N 3.35Å; C73-I78 HydrophobicContact CB-CD1 4.33Å; C73-I78 HydrophobicContact CB-CG1 4.16Å; C73-I78 VanDerWaalsContact SG-CG1 3.53Å | ||
| 74 | K | 93.2 | Very high | 91.3 | Very high | 107 Ų | 107 | 64.5 Ų | 64.5 | 47% | 0.465 | 34% | 0.338 | S | S | . | . | trans | -64.3 | 148.3 | 177.4 | -67.5 | 174 | -169.2 | 153.3 | 0 | 112.3 | E48 E76 E77 I78 | E48-K74 WeakPolarHBondContact OE1-CD 3.34Å; E48-K74 WeakPolarHBondContact OE1-CE 3.46Å; E48-K74 IonicContact OE1-NZ 3.73Å; E48-K74 PolarHBondContact OE1-NZ 2.88Å; E48-K74 VanDerWaalsContact OE1-NZ 3.1Å; E48-K74 PolarHBondContact OE2-N 3Å; K74-E76 VanDerWaalsContact C-N 3.28Å; K74-E76 HydrophobicContact CB-CG 4.31Å; K74-E76 PolarHBondContact O-N 3.31Å; K74-E77 HydrophobicContact CB-CB 4.32Å; K74-E77 HydrophobicContact CB-CG 3.96Å; K74-E77 PolarHBondContact O-N 3.19Å; K74-E77 VanDerWaalsContact O-N 3.07Å; K74-I78 WeakPolarHBondContact O-CG1 3.44Å; K74-I78 PolarHBondContact O-N 2.03Å | ||
| 75 | R | 90.2 | Very high | 91.5 | Very high | 179 Ų | 179 | 67.9 Ų | 67.9 | 68% | 0.675 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -61.1 | -37.6 | -173.3 | -177.6 | 173.9 | 179 | 158.4 | 0.8 | 113 | R65 M69 E77 | R65-R75 PolarHBondContact NH2-O 2.78Å; M69-R75 HydrophobicContact CE-CB 3.96Å; M69-R75 HydrophobicContact CE-CG 3.65Å; R75-E77 VanDerWaalsContact C-N 3.35Å |
| 76 | E | 90.4 | Very high | 91.8 | Very high | 136 Ų | 136 | 69 Ų | 69 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -75.4 | -21 | 179.3 | 56.7 | -87.3 | -158 | 0 | 0 | 113.4 | K74 | K74-E76 VanDerWaalsContact C-N 3.28Å; K74-E76 HydrophobicContact CB-CG 4.31Å; K74-E76 PolarHBondContact O-N 3.31Å |
| 77 | E | 91.6 | Very high | 92.1 | Very high | 56 Ų | 56 | 69.2 Ų | 69.2 | 26% | 0.262 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -91.5 | -3.4 | 176.7 | -58.7 | -60.3 | 156.7 | 0 | 0 | 112.4 | K47 E48 K74 R75 | K47-E77 WeakPolarHBondContact CE-OE2 3.42Å; K47-E77 HydrophobicContact CG-CB 4.21Å; K47-E77 WeakPolarHBondContact CG-O 3.42Å; K47-E77 WeakPolarHBondContact CG-OE2 3.38Å; K47-E77 PolarHBondContact N-O 3.37Å; E48-E77 HydrophobicContact CB-CB 3.9Å; E48-E77 HydrophobicContact CB-CG 4.05Å; E48-E77 HydrophobicContact CG-CG 4.38Å; K74-E77 HydrophobicContact CB-CB 4.32Å; K74-E77 HydrophobicContact CB-CG 3.96Å; K74-E77 PolarHBondContact O-N 3.19Å; K74-E77 VanDerWaalsContact O-N 3.07Å; R75-E77 VanDerWaalsContact C-N 3.35Å |
| 78 | I | 92.8 | Very high | 92.4 | Very high | 13 Ų | 13 | 69.2 Ų | 69.2 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 115.1 | 176.9 | -62.5 | 167.1 | 0 | 0 | 0 | 110.5 | W45 R65 L68 M69 C73 K74 | W45-I78 CarbonylContact O-C 3.53Å; W45-I78 WeakPolarHBondContact O-CA 3.31Å; R65-I78 HydrophobicContact CG-CD1 4.33Å; R65-I78 HydrophobicContact CG-CG2 4.32Å; L68-I78 HydrophobicContact CB-CD1 4.02Å; L68-I78 HydrophobicContact CB-CG1 4.4Å; L68-I78 HydrophobicContact CD1-CG1 4.37Å; L68-I78 HydrophobicContact CD1-CG2 4.15Å; M69-I78 HydrophobicContact CE-CD1 3.84Å; M69-I78 HydrophobicContact CG-CD1 3.57Å; C73-I78 HydrophobicContact CB-CD1 4.33Å; C73-I78 HydrophobicContact CB-CG1 4.16Å; C73-I78 VanDerWaalsContact SG-CG1 3.53Å; K74-I78 WeakPolarHBondContact O-CG1 3.44Å; K74-I78 PolarHBondContact O-N 2.03Å |
| 79 | I | 91.4 | Very high | 92.5 | Very high | 19 Ų | 19 | 72.3 Ų | 72.3 | 10% | 0.097 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 122.3 | 174.2 | -54.2 | -179.7 | 0 | 0 | 0 | 109.2 | S44 W45 K47 P81 C455 C457 | S44-I79 WeakPolarHBondContact CA-O 3.33Å; W45-I79 HydrophobicContact CB-CB 4.34Å; W45-I79 PolarHBondContact N-O 3.31Å; W45-I79 PolarHBondContact O-N 3.02Å; K47-I79 HydrophobicContact CB-CD1 4.08Å; K47-I79 HydrophobicContact CB-CG1 4.49Å; K47-I79 HydrophobicContact CD-CD1 3.94Å; K47-I79 HydrophobicContact CD-CG1 4.14Å; I79-P81 HydrophobicContact CG2-CG 4.49Å; I79-C455 HydrophobicContact CD1-CB 4.33Å; I79-C455 HydrophobicContact CG2-CB 4.11Å; I79-C457 HydrophobicContact CD1-CB 4.07Å; I79-C457 WeakPolarHBondContact CD1-SG 3.45Å |
| 80 | S | 89.1 | Confident | 92.6 | Very high | 26 Ų | 26 | 74.7 Ų | 74.7 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | trans | -152.9 | 86.1 | 176.4 | -163 | 0 | 0 | 0 | 0 | 108.7 | S44 Q82 R115 | S44-S80 WeakPolarHBondContact OG-CB 3.43Å; S44-S80 PolarHBondContact OG-OG 3.5Å; S80-Q82 PolarHBondContact O-N 2.62Å; S80-Q82 PolarHBondContact O-NE2 2.61Å; S80-R115 PolarHBondContact OG-NH1 3.41Å | ||
| 81 | P | 88.5 | Confident | 92.7 | Very high | 17 Ų | 17 | 73.3 Ų | 73.3 | 11% | 0.11 | 36% | 0.357 | C | S | . | . | trans | -55.1 | 136.9 | -179.5 | -23.8 | 35.6 | 0 | 0 | 0 | 110.2 | I37 I79 R115 | I37-P81 HydrophobicContact CD1-CG 4.4Å; I37-P81 HydrophobicContact CG1-CG 4.22Å; I37-P81 HydrophobicContact CG2-CG 4.07Å; I79-P81 HydrophobicContact CG2-CG 4.49Å; P81-R115 WeakPolarHBondContact O-CD 3.36Å | ||
| 82 | Q | 89.6 | Confident | 92.7 | Very high | 115 Ų | 115 | 73.3 Ų | 73.3 | 54% | 0.537 | 37% | 0.371 | S | S | . | . | trans | -106.4 | 159.9 | 177.9 | -61.1 | -59.1 | -54.1 | 0 | 0 | 109.9 | S80 | S80-Q82 PolarHBondContact O-N 2.62Å; S80-Q82 PolarHBondContact O-NE2 2.61Å | ||
| 83 | N | 93.7 | Very high | 92.6 | Very high | 25 Ų | 25 | 72.1 Ų | 72.1 | 13% | 0.134 | 35% | 0.351 | C | S | . | . | trans | -66.3 | 142.4 | 169.7 | -65.4 | -18.3 | 0 | 0 | 0 | 109.6 | K113 L114 R115 L118 P119 H120 | N83-K113 WeakPolarHBondContact CA-O 3.3Å; N83-L114 HydrophobicContact CB-CD2 4.09Å; N83-L114 WeakPolarHBondContact OD1-CA 3.29Å; N83-R115 WeakPolarHBondContact OD1-CB 3.5Å; N83-R115 PolarHBondContact OD1-N 2.95Å; N83-L118 PolarHBondContact ND2-O 2.78Å; N83-P119 PolarHBondContact ND2-O 2.89Å; N83-H120 HydrophobicContact CB-CB 4.14Å | ||
| 84 | T | 94.3 | Very high | 91.9 | Very high | 75 Ų | 75 | 73.4 Ų | 73.4 | 46% | 0.46 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 141.7 | 174.7 | 52.8 | 0 | 0 | 0 | 0 | 110.3 | K113 | T84-K113 PolarHBondContact N-O 3.28Å; T84-K113 PolarHBondContact O-N 2.92Å; T84-K113 WeakPolarHBondContact OG1-CB 3.35Å |
| 85 | E | 95.5 | Very high | 90.6 | Very high | 78 Ų | 78 | 77 Ų | 77 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 133.3 | -179.8 | 175.6 | -179.3 | 154.4 | 0 | 0 | 109.4 | I87 I110 L112 H120 | E85-I87 HydrophobicContact CG-CG1 4.5Å; E85-I110 HydrophobicContact CG-CG2 3.77Å; E85-L112 HydrophobicContact CB-CD2 3.91Å; E85-L112 HydrophobicContact CG-CD2 3.83Å; E85-H120 IonicContact OE2-CD2 3.58Å; E85-H120 IonicContact OE2-CE1 2.88Å; E85-H120 IonicContact OE2-NE2 3.72Å; E85-H120 PolarHBondContact OE2-NE2 3.11Å |
| 86 | E | 97.1 | Very high | 89.2 | Confident | 106 Ų | 106 | 72.5 Ų | 72.5 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 116.4 | 171.3 | -166.6 | -173.3 | 164.5 | 0 | 0 | 109.8 | K88 D111 | E86-K88 HydrophobicContact CG-CD 4.4Å; E86-K88 PolarHBondContact O-N 2.81Å; E86-K88 IonicContact OE1-NZ 2.7Å; E86-K88 PolarHBondContact OE1-NZ 2.89Å; E86-K88 WeakPolarHBondContact OE2-CE 3.2Å; E86-K88 IonicContact OE2-NZ 3.47Å; E86-K88 PolarHBondContact OE2-NZ 2.67Å; E86-D111 HydrophobicContact CB-CB 4.48Å; E86-D111 PolarHBondContact N-O 2.86Å; E86-D111 PolarHBondContact O-N 2.93Å |
| 87 | I | 96.1 | Very high | 87.4 | Confident | 73 Ų | 73 | 68.7 Ų | 68.7 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 109 | 177 | -57.9 | 176.4 | 0 | 0 | 0 | 108.6 | E85 Q90 P107 I110 | E85-I87 HydrophobicContact CG-CG1 4.5Å; I87-Q90 HydrophobicContact CG2-CB 3.74Å; I87-P107 HydrophobicContact CG2-CB 3.99Å; I87-I110 HydrophobicContact CG1-CG1 4.49Å |
| 88 | K | 96.8 | Very high | 85.8 | Confident | 103 Ų | 103 | 68.3 Ų | 68.3 | 45% | 0.448 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -30.2 | -179.3 | -64.7 | -62.7 | -172.2 | -175.7 | 0 | 113.1 | E86 K109 D111 | E86-K88 HydrophobicContact CG-CD 4.4Å; E86-K88 PolarHBondContact O-N 2.81Å; E86-K88 IonicContact OE1-NZ 2.7Å; E86-K88 PolarHBondContact OE1-NZ 2.89Å; E86-K88 WeakPolarHBondContact OE2-CE 3.2Å; E86-K88 IonicContact OE2-NZ 3.47Å; E86-K88 PolarHBondContact OE2-NZ 2.67Å; K88-K109 HydrophobicContact CB-CB 3.91Å; K88-K109 PolarHBondContact N-O 2.92Å; K88-D111 WeakPolarHBondContact CE-OD2 3.32Å; K88-D111 HydrophobicContact CG-CB 4.45Å; K88-D111 IonicContact NZ-OD2 3.28Å |
| 89 | Q | 95.4 | Very high | 83.8 | Confident | 64 Ų | 64 | 74.1 Ų | 74.1 | 30% | 0.299 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 125.3 | 179.7 | -170.5 | 178.5 | -7.3 | 0 | 0 | 111 | D91 P107 Q108 K109 | Q89-D91 PolarHBondContact NE2-OD2 2.92Å; Q89-P107 WeakPolarHBondContact O-CB 3.5Å; Q89-Q108 HydrophobicContact CB-CB 4.35Å; Q89-Q108 HydrophobicContact CG-CB 4.16Å; Q89-Q108 PolarHBondContact O-N 2.91Å; Q89-Q108 PolarHBondContact O-OE1 3.13Å; Q89-K109 HydrophobicContact CB-CB 3.88Å; Q89-K109 HydrophobicContact CB-CD 4.24Å; Q89-K109 HydrophobicContact CB-CG 4.04Å; Q89-K109 PolarHBondContact N-O 3.46Å; Q89-K109 PolarHBondContact O-N 3.36Å |
| 90 | Q | 93.8 | Very high | 82.4 | Confident | 120 Ų | 120 | 78.4 Ų | 78.4 | 56% | 0.561 | 44% | 0.44 | S | S | * | . | trans | -143.5 | 72.5 | -179.5 | -170.7 | -179.5 | -14.6 | 0 | 0 | 111.1 | I87 T106 P107 Q108 | I87-Q90 HydrophobicContact CG2-CB 3.74Å; Q90-T106 WeakPolarHBondContact CG-OG1 3.48Å; Q90-P107 HydrophobicContact CB-CB 4.1Å; Q90-P107 HydrophobicContact CG-CB 4.05Å; Q90-Q108 VanDerWaalsContact CA-OE1 3.23Å | ||
| 91 | D | 91.7 | Very high | 81.4 | Confident | 65 Ų | 65 | 83 Ų | 83 | 35% | 0.348 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 137.6 | 171.1 | -57.3 | -38.8 | 0 | 0 | 0 | 109.3 | Q89 V103 T106 Q108 | Q89-D91 PolarHBondContact NE2-OD2 2.92Å; D91-V103 HydrophobicContact CB-CG1 4.35Å; D91-V103 HydrophobicContact CB-CG2 4.35Å; D91-T106 WeakPolarHBondContact O-CB 3.08Å; D91-T106 PolarHBondContact O-OG1 3.41Å; D91-Q108 PolarHBondContact O-NE2 3.27Å; D91-Q108 VanDerWaalsContact O-NE2 3.1Å |
| 92 | P | 90.5 | Very high | 81 | Confident | 104 Ų | 104 | 82.8 Ų | 82.8 | 68% | 0.675 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 148.1 | -177.2 | 28.8 | -34.6 | 0 | 0 | 0 | 111.8 | S94 | P92-S94 PolarHBondContact O-N 3.19Š|
| 93 | L | 88.4 | Confident | 80.9 | Confident | 29 Ų | 29 | 79 Ų | 79 | 15% | 0.152 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 134.1 | 174.4 | -64.1 | 171.4 | 0 | 0 | 0 | 110.6 | V103 Q104 T106 K127 E415 | L93-V103 WeakPolarHBondContact CA-O 3.5Å; L93-Q104 VanDerWaalsContact CD2-O 3.27Å; L93-Q104 WeakPolarHBondContact CD2-O 3.37Å; L93-T106 HydrophobicContact CD1-CG2 4.13Å; L93-T106 HydrophobicContact CD2-CG2 3.98Å; L93-T106 HydrophobicContact CG-CG2 3.76Å; L93-K127 HydrophobicContact CB-CB 4.42Å; L93-K127 HydrophobicContact CB-CD 4.47Å; L93-K127 HydrophobicContact CD1-CB 3.82Å; L93-K127 HydrophobicContact CD2-CB 4.36Å; L93-K127 HydrophobicContact CG-CB 4.44Å; L93-E415 HydrophobicContact CD1-CG 4.04Å |
| 94 | S | 81 | Confident | 80.7 | Confident | 32 Ų | 32 | 78 Ų | 78 | 22% | 0.224 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 144.9 | -176.8 | -66.3 | 0 | 0 | 0 | 0 | 112.1 | P92 P102 V103 K127 | P92-S94 PolarHBondContact O-N 3.19Å; S94-P102 WeakPolarHBondContact OG-CA 3.43Å; S94-V103 PolarHBondContact N-O 3.05Å; S94-V103 PolarHBondContact OG-N 3.29Å; S94-K127 PolarHBondContact O-NZ 2.98Å |
| 95 | K | 65.3 | Low | 80.6 | Confident | 183 Ų | 183 | 74.5 Ų | 74.5 | 80% | 0.796 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -94.6 | -19.6 | 179.8 | -67.4 | -175.1 | 179.8 | 179.7 | 0 | 113.6 | ||
| 96 | S | 59.8 | Low | 80.5 | Confident | 84 Ų | 84 | 71.5 Ų | 71.5 | 59% | 0.587 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -167.2 | 157.6 | 172.4 | 59.4 | 0 | 0 | 0 | 0 | 110.6 | G98 | S96-G98 PolarHBondContact O-N 3.17Å; S96-G98 VanDerWaalsContact O-N 3.08Å |
| 97 | S | 54.4 | Low | 80.5 | Confident | 55 Ų | 55 | 66.9 Ų | 66.9 | 39% | 0.385 | 38% | 0.381 | S | S | . | . | trans | -71.1 | 93 | 168 | 44.5 | 0 | 0 | 0 | 0 | 110.2 | E130 | S97-E130 WeakPolarHBondContact CB-O 3.34Å; S97-E130 PolarHBondContact OG-O 3.43Å | ||
| 98 | G | 55.9 | Low | 80.4 | Confident | 48 Ų | 48 | 64.5 Ų | 64.5 | 50% | 0.495 | 37% | 0.368 | S | S | . | . | trans | -83.9 | -164.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S96 T100 | S96-G98 PolarHBondContact O-N 3.17Å; S96-G98 VanDerWaalsContact O-N 3.08Å; G98-T100 PolarHBondContact O-N 3.19Å | ||
| 99 | S | 50.9 | Low | 80.5 | Confident | 136 Ų | 136 | 64.1 Ų | 64.1 | 95% | 0.951 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -66.3 | 0.5 | 174.5 | 49.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 100 | T | 62 | Low | 80.6 | Confident | 108 Ų | 108 | 61.1 Ų | 61.1 | 66% | 0.663 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -113.7 | 143.7 | 178.6 | 45.2 | 0 | 0 | 0 | 0 | 111.1 | G98 | G98-T100 PolarHBondContact O-N 3.19Š|
| 101 | E | 69.7 | Low | 80.8 | Confident | 122 Ų | 122 | 57.7 Ų | 57.7 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | trans | -56.2 | 128.7 | 178.3 | -60 | -170.6 | 161.2 | 0 | 0 | 111.5 | S262 K442 | E101-S262 VanDerWaalsContact OE1-CB 3.26Å; E101-S262 WeakPolarHBondContact OE1-CB 3.4Å; E101-S262 PolarHBondContact OE1-OG 3.27Å; E101-S262 PolarHBondContact OE2-OG 3.46Å; E101-S262 VanDerWaalsContact OE2-OG 3.08Å; E101-K442 IonicContact OE1-NZ 2.82Å; E101-K442 IonicContact OE2-NZ 2.81Å; E101-K442 PolarHBondContact OE2-NZ 2.89Å | ||
| 102 | P | 79.6 | Confident | 81 | Confident | 13 Ų | 13 | 54.7 Ų | 54.7 | 8% | 0.084 | 32% | 0.322 | C | S | . | . | trans | -79.4 | 131.9 | -176.5 | 30 | -33.1 | 0 | 0 | 0 | 111.6 | S94 A129 Y132 | S94-P102 WeakPolarHBondContact OG-CA 3.43Å; P102-A129 HydrophobicContact CB-CB 3.81Å; P102-A129 HydrophobicContact CG-CB 3.92Å; P102-Y132 HydrophobicContact CG-CD2 3.51Å; P102-Y132 HydrophobicContact CG-CE2 3.72Å | ||
| 103 | V | 87.7 | Confident | 81.2 | Confident | 36 Ų | 36 | 53.7 Ų | 53.7 | 22% | 0.218 | 31% | 0.307 | C | S | . | . | trans | -80.6 | 115.7 | 169 | -179 | 0 | 0 | 0 | 0 | 109.1 | D91 L93 S94 M105 | D91-V103 HydrophobicContact CB-CG1 4.35Å; D91-V103 HydrophobicContact CB-CG2 4.35Å; L93-V103 WeakPolarHBondContact CA-O 3.5Å; S94-V103 PolarHBondContact N-O 3.05Å; S94-V103 PolarHBondContact OG-N 3.29Å; V103-M105 WeakPolarHBondContact CG1-O 3.46Å | ||
| 104 | Q | 88.8 | Confident | 81.5 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 1% | 0.014 | 30% | 0.3 | C | S | . | . | trans | -110 | -11.3 | -176.4 | -62.3 | -177.1 | 109 | 0 | 0 | 113.3 | L93 F126 K127 A129 D443 | L93-Q104 VanDerWaalsContact CD2-O 3.27Å; L93-Q104 WeakPolarHBondContact CD2-O 3.37Å; Q104-F126 HydrophobicContact CB-CD2 4.45Å; Q104-F126 HydrophobicContact CB-CE2 3.99Å; Q104-F126 CarbonylContact O-C 3.53Å; Q104-F126 VanDerWaalsContact O-CA 3.28Å; Q104-F126 WeakPolarHBondContact O-CA 3.45Å; Q104-F126 WeakPolarHBondContact O-CD2 3.27Å; Q104-K127 WeakPolarHBondContact CA-O 3.49Å; Q104-K127 VanDerWaalsContact CB-O 3.28Å; Q104-K127 WeakPolarHBondContact CB-O 3.36Å; Q104-K127 PolarHBondContact O-N 3.41Å; Q104-A129 HydrophobicContact CG-CB 3.91Å; Q104-D443 WeakPolarHBondContact CA-OD2 3.26Å; Q104-D443 WeakPolarHBondContact CB-OD2 3.44Å; Q104-D443 PolarHBondContact N-OD2 2.89Å | ||
| 105 | M | 92.1 | Very high | 82 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 138.7 | 177.9 | -171.6 | -172.8 | -179.6 | 0 | 0 | 110.9 | V103 Q108 V124 S125 F126 I436 P438 D443 L445 | V103-M105 WeakPolarHBondContact CG1-O 3.46Å; M105-Q108 PolarHBondContact O-NE2 2.94Å; M105-V124 HydrophobicContact CE-CG1 3.33Å; M105-V124 HydrophobicContact CG-CG1 4Å; M105-V124 HydrophobicContact SD-CG1 4.49Å; M105-S125 WeakPolarHBondContact CA-O 3.4Å; M105-F126 HydrophobicContact CB-CD2 4.48Å; M105-I436 HydrophobicContact CE-CB 4.38Å; M105-I436 HydrophobicContact CE-CG2 3.98Å; M105-I436 WeakPolarHBondContact CE-O 2.97Å; M105-P438 HydrophobicContact SD-CG 4.4Å; M105-D443 HydrophobicContact CB-CB 3.83Å; M105-L445 HydrophobicContact CE-CB 3.53Å; M105-L445 HydrophobicContact SD-CB 4.36Å |
| 106 | T | 94 | Very high | 83.2 | Confident | 15 Ų | 15 | 42.3 Ų | 42.3 | 9% | 0.092 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 145.4 | 176.9 | -165.6 | 0 | 0 | 0 | 0 | 110.9 | Q90 D91 L93 S125 | Q90-T106 WeakPolarHBondContact CG-OG1 3.48Å; D91-T106 WeakPolarHBondContact O-CB 3.08Å; D91-T106 PolarHBondContact O-OG1 3.41Å; L93-T106 HydrophobicContact CD1-CG2 4.13Å; L93-T106 HydrophobicContact CD2-CG2 3.98Å; L93-T106 HydrophobicContact CG-CG2 3.76Å; T106-S125 PolarHBondContact N-O 3.3Å; T106-S125 PolarHBondContact O-N 3.32Å |
| 107 | P | 96.4 | Very high | 84.5 | Confident | 8 Ų | 8 | 39.4 Ų | 39.4 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | cis | -72.4 | 173.5 | -7 | 31.7 | -35.4 | 0 | 0 | 0 | 112.9 | I87 Q89 Q90 I110 L445 | I87-P107 HydrophobicContact CG2-CB 3.99Å; Q89-P107 WeakPolarHBondContact O-CB 3.5Å; Q90-P107 HydrophobicContact CB-CB 4.1Å; Q90-P107 HydrophobicContact CG-CB 4.05Å; P107-I110 HydrophobicContact CB-CG1 4.37Å; P107-I110 HydrophobicContact CG-CD1 3.53Å; P107-I110 HydrophobicContact CG-CG1 3.68Å; P107-L445 HydrophobicContact CG-CD1 4.24Å; P107-L445 WeakPolarHBondContact O-CD1 3.34Å | ||
| 108 | Q | 95.3 | Very high | 86.2 | Confident | 23 Ų | 23 | 38.1 Ų | 38.1 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -102.6 | -26.4 | -179.9 | -59 | 75.2 | 27 | 0 | 0 | 112.7 | Q89 Q90 D91 M105 L445 T446 | Q89-Q108 HydrophobicContact CB-CB 4.35Å; Q89-Q108 HydrophobicContact CG-CB 4.16Å; Q89-Q108 PolarHBondContact O-N 2.91Å; Q89-Q108 PolarHBondContact O-OE1 3.13Å; Q90-Q108 VanDerWaalsContact CA-OE1 3.23Å; D91-Q108 PolarHBondContact O-NE2 3.27Å; D91-Q108 VanDerWaalsContact O-NE2 3.1Å; M105-Q108 PolarHBondContact O-NE2 2.94Å; Q108-L445 WeakPolarHBondContact O-CA 3.34Å; Q108-T446 PolarHBondContact O-N 2.77Å |
| 109 | K | 97.7 | Very high | 88 | Confident | 96 Ų | 96 | 39 Ų | 39 | 42% | 0.417 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 128.8 | 176.9 | -61 | -176.8 | -176.9 | 175.6 | 0 | 111.8 | K88 Q89 T446 | K88-K109 HydrophobicContact CB-CB 3.91Å; K88-K109 PolarHBondContact N-O 2.92Å; Q89-K109 HydrophobicContact CB-CB 3.88Å; Q89-K109 HydrophobicContact CB-CD 4.24Å; Q89-K109 HydrophobicContact CB-CG 4.04Å; Q89-K109 PolarHBondContact N-O 3.46Å; Q89-K109 PolarHBondContact O-N 3.36Å; K109-T446 WeakPolarHBondContact CA-O 3.43Å |
| 110 | I | 97.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 137 | 174.5 | -60.3 | 172.8 | 0 | 0 | 0 | 109 | E85 I87 P107 L112 F122 L445 T446 V447 T448 | E85-I110 HydrophobicContact CG-CG2 3.77Å; I87-I110 HydrophobicContact CG1-CG1 4.49Å; P107-I110 HydrophobicContact CB-CG1 4.37Å; P107-I110 HydrophobicContact CG-CD1 3.53Å; P107-I110 HydrophobicContact CG-CG1 3.68Å; I110-L112 HydrophobicContact CG2-CD2 3.53Å; I110-L112 HydrophobicContact CG2-CG 3.9Å; I110-F122 HydrophobicContact CD1-CD2 3.54Å; I110-F122 HydrophobicContact CD1-CE2 3.8Å; I110-F122 HydrophobicContact CD1-CG 4.02Å; I110-F122 HydrophobicContact CD1-CZ 4.44Å; I110-L445 HydrophobicContact CB-CD1 4.35Å; I110-L445 HydrophobicContact CD1-CD1 4.04Å; I110-L445 HydrophobicContact CD1-CD2 3.99Å; I110-L445 HydrophobicContact CG1-CD1 3.82Å; I110-T446 PolarHBondContact N-O 2.82Å; I110-V447 WeakPolarHBondContact O-CA 3.47Å; I110-T448 PolarHBondContact O-N 3.15Å |
| 111 | D | 97.8 | Very high | 91.8 | Very high | 48 Ų | 48 | 34.2 Ų | 34.2 | 26% | 0.257 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123.2 | 167.3 | -68 | -3.1 | 0 | 0 | 0 | 109.4 | E86 K88 T448 | E86-D111 HydrophobicContact CB-CB 4.48Å; E86-D111 PolarHBondContact N-O 2.86Å; E86-D111 PolarHBondContact O-N 2.93Å; K88-D111 WeakPolarHBondContact CE-OD2 3.32Å; K88-D111 HydrophobicContact CG-CB 4.45Å; K88-D111 IonicContact NZ-OD2 3.28Å; D111-T448 CarbonylContact C-O 3.59Å; D111-T448 WeakPolarHBondContact CA-O 3.46Å; D111-T448 WeakPolarHBondContact OD1-CB 3.42Å; D111-T448 PolarHBondContact OD1-OG1 2.89Å |
| 112 | L | 97 | Very high | 93.1 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 126.9 | 179.6 | -59.7 | 180 | 0 | 0 | 0 | 109.7 | E85 I110 L114 F122 V422 V447 T448 I449 S450 | E85-L112 HydrophobicContact CB-CD2 3.91Å; E85-L112 HydrophobicContact CG-CD2 3.83Å; I110-L112 HydrophobicContact CG2-CD2 3.53Å; I110-L112 HydrophobicContact CG2-CG 3.9Å; L112-L114 HydrophobicContact CB-CD1 4.19Å; L112-L114 HydrophobicContact CB-CD2 4Å; L112-L114 HydrophobicContact CB-CG 3.9Å; L112-L114 HydrophobicContact CD1-CD1 4.38Å; L112-F122 HydrophobicContact CD1-CD1 4.18Å; L112-F122 HydrophobicContact CD1-CE1 3.83Å; L112-V422 HydrophobicContact CD1-CB 4.23Å; L112-V422 HydrophobicContact CD1-CG1 4.45Å; L112-V422 HydrophobicContact CD1-CG2 4.23Å; L112-V447 HydrophobicContact CD1-CG1 3.64Å; L112-V447 HydrophobicContact CG-CG1 4.05Å; L112-T448 PolarHBondContact N-O 2.92Å; L112-I449 HydrophobicContact CB-CG2 4.28Å; L112-I449 HydrophobicContact CD1-CG2 4.48Å; L112-I449 CarbonylContact O-C 3.48Å; L112-I449 WeakPolarHBondContact O-CA 3.3Å; L112-S450 PolarHBondContact O-N 3.42Å |
| 113 | K | 94.9 | Very high | 93.9 | Very high | 82 Ų | 82 | 33.8 Ų | 33.8 | 36% | 0.357 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 105.6 | 169.1 | 174.2 | 171.2 | -171 | 175 | 0 | 108.5 | N83 T84 S450 N452 | N83-K113 WeakPolarHBondContact CA-O 3.3Å; T84-K113 PolarHBondContact N-O 3.28Å; T84-K113 PolarHBondContact O-N 2.92Å; T84-K113 WeakPolarHBondContact OG1-CB 3.35Å; K113-S450 CarbonylContact C-O 3.48Å; K113-S450 WeakPolarHBondContact CA-O 3.22Å; K113-S450 WeakPolarHBondContact CB-OG 3.31Å; K113-N452 HydrophobicContact CD-CB 4.43Å; K113-N452 HydrophobicContact CG-CB 3.9Å |
| 114 | L | 94.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 141.3 | -163.2 | -60.6 | 178.5 | 0 | 0 | 0 | 111.8 | N83 L112 H120 V422 V424 I449 S450 T451 N452 | N83-L114 HydrophobicContact CB-CD2 4.09Å; N83-L114 WeakPolarHBondContact OD1-CA 3.29Å; L112-L114 HydrophobicContact CB-CD1 4.19Å; L112-L114 HydrophobicContact CB-CD2 4Å; L112-L114 HydrophobicContact CB-CG 3.9Å; L112-L114 HydrophobicContact CD1-CD1 4.38Å; L114-H120 HydrophobicContact CD2-CB 3.4Å; L114-H120 VanDerWaalsContact CD2-CB 3.4Å; L114-V422 HydrophobicContact CD1-CB 4.34Å; L114-V422 HydrophobicContact CD1-CG1 3.7Å; L114-V424 HydrophobicContact CB-CG2 4.27Å; L114-V424 HydrophobicContact CD1-CG2 3.69Å; L114-I449 HydrophobicContact CD1-CG2 4.34Å; L114-S450 PolarHBondContact N-O 3.4Å; L114-T451 CarbonylContact O-C 3.57Å; L114-T451 WeakPolarHBondContact O-CA 3.46Å; L114-N452 PolarHBondContact O-N 3.35Å |
| 115 | R | 91.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | trans | -85 | 135.1 | 169.4 | 174.9 | 177.3 | 172.2 | 171 | 2.7 | 109.4 | I37 G40 P41 C43 S80 P81 N83 G117 L118 | I37-R115 HydrophobicContact CG2-CG 4.31Å; I37-R115 PolarHBondContact O-NH2 3.38Å; G40-R115 PolarHBondContact O-NH2 2.8Å; P41-R115 VanDerWaalsContact O-CZ 3.24Å; P41-R115 PolarHBondContact O-NH1 2.89Å; P41-R115 PolarHBondContact O-NH2 3.37Å; C43-R115 VanDerWaalsContact O-CZ 3.31Å; C43-R115 PolarHBondContact O-NH1 3.13Å; C43-R115 VanDerWaalsContact O-NH1 3.12Å; C43-R115 PolarHBondContact O-NH2 2.99Å; S80-R115 PolarHBondContact OG-NH1 3.41Å; P81-R115 WeakPolarHBondContact O-CD 3.36Å; N83-R115 WeakPolarHBondContact OD1-CB 3.5Å; N83-R115 PolarHBondContact OD1-N 2.95Å; R115-G117 PolarHBondContact O-N 3.31Å; R115-L118 HydrophobicContact CB-CB 4.13Å; R115-L118 HydrophobicContact CB-CD2 4.37Å; R115-L118 HydrophobicContact CG-CB 4.31Å; R115-L118 PolarHBondContact O-N 2.96Å; R115-L118 VanDerWaalsContact O-N 3.16Å | ||
| 116 | P | 90 | Very high | 94.6 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 132.3 | 176.1 | -27.2 | 34.6 | 0 | 0 | 0 | 113.5 | L118 V424 C453 | P116-L118 PolarHBondContact O-N 3.19Å; P116-V424 CarbonylContact C-O 3.6Å; P116-V424 WeakPolarHBondContact CA-O 3.31Å; P116-C453 WeakPolarHBondContact CG-SG 3.47Å |
| 117 | G | 87.4 | Confident | 94.4 | Very high | 23 Ų | 23 | 33.4 Ų | 33.4 | 24% | 0.237 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | -14.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | P41 R115 P119 V424 | P41-G117 WeakPolarHBondContact CB-O 3.39Å; R115-G117 PolarHBondContact O-N 3.31Å; G117-P119 WeakPolarHBondContact O-CD 3.48Å; G117-V424 PolarHBondContact N-O 2.87Å |
| 118 | L | 89.8 | Confident | 93.8 | Very high | 29 Ų | 29 | 35.2 Ų | 35.2 | 15% | 0.152 | 17% | 0.172 | C | C | . | . | trans | -92.5 | 112.3 | -176.3 | -173.9 | 68.9 | 0 | 0 | 0 | 110 | P41 N83 R115 P116 | P41-L118 HydrophobicContact CB-CB 4.07Å; P41-L118 HydrophobicContact CB-CD1 4.11Å; N83-L118 PolarHBondContact ND2-O 2.78Å; R115-L118 HydrophobicContact CB-CB 4.13Å; R115-L118 HydrophobicContact CB-CD2 4.37Å; R115-L118 HydrophobicContact CG-CB 4.31Å; R115-L118 PolarHBondContact O-N 2.96Å; R115-L118 VanDerWaalsContact O-N 3.16Å; P116-L118 PolarHBondContact O-N 3.19Å | ||
| 119 | P | 93.3 | Very high | 93 | Very high | 65 Ų | 65 | 34.6 Ų | 34.6 | 42% | 0.422 | 17% | 0.17 | S | C | . | . | trans | -65.9 | 139.1 | -179.2 | 25.4 | -33.8 | 0 | 0 | 0 | 111.8 | N83 G117 T421 T423 | N83-P119 PolarHBondContact ND2-O 2.89Å; G117-P119 WeakPolarHBondContact O-CD 3.48Å; P119-T421 HydrophobicContact CB-CG2 3.59Å; P119-T423 WeakPolarHBondContact CB-OG1 3.34Å | ||
| 120 | H | 96.1 | Very high | 91.8 | Very high | 30 Ų | 30 | 36.3 Ų | 36.3 | 14% | 0.139 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 138.3 | 170 | -171.5 | 67.5 | 0 | 0 | 0 | 110.6 | N83 E85 L114 T421 V422 | N83-H120 HydrophobicContact CB-CB 4.14Å; E85-H120 IonicContact OE2-CD2 3.58Å; E85-H120 IonicContact OE2-CE1 2.88Å; E85-H120 IonicContact OE2-NE2 3.72Å; E85-H120 PolarHBondContact OE2-NE2 3.11Å; L114-H120 HydrophobicContact CD2-CB 3.4Å; L114-H120 VanDerWaalsContact CD2-CB 3.4Å; H120-T421 CarbonylContact O-C 3.51Å; H120-T421 VanDerWaalsContact O-CA 3.28Å; H120-T421 WeakPolarHBondContact O-CA 3.37Å; H120-V422 PolarHBondContact N-O 2.9Å; H120-V422 PolarHBondContact O-N 2.72Å |
| 121 | K | 97 | Very high | 90.6 | Very high | 115 Ų | 115 | 37.6 Ų | 37.6 | 50% | 0.5 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 130.9 | -177.8 | -66.1 | -176.2 | 164.8 | -154.8 | 0 | 110.7 | E419 V420 T421 | K121-E419 HydrophobicContact CB-CG 4.34Å; K121-E419 HydrophobicContact CD-CG 4.35Å; K121-E419 WeakPolarHBondContact CD-OE1 3.49Å; K121-E419 IonicContact NZ-OE1 2.78Å; K121-E419 PolarHBondContact NZ-OE1 2.76Å; K121-V420 WeakPolarHBondContact CA-O 3.42Å; K121-T421 HydrophobicContact CG-CG2 4.1Å |
| 122 | F | 96.8 | Very high | 89.7 | Confident | 10 Ų | 10 | 35.7 Ų | 35.7 | 4% | 0.044 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 162.2 | 171.3 | 63.9 | -91.3 | 0 | 0 | 0 | 110.9 | I110 L112 V124 V420 V422 I436 L445 V447 | I110-F122 HydrophobicContact CD1-CD2 3.54Å; I110-F122 HydrophobicContact CD1-CE2 3.8Å; I110-F122 HydrophobicContact CD1-CG 4.02Å; I110-F122 HydrophobicContact CD1-CZ 4.44Å; L112-F122 HydrophobicContact CD1-CD1 4.18Å; L112-F122 HydrophobicContact CD1-CE1 3.83Å; F122-V124 HydrophobicContact CD2-CG2 4.06Å; F122-V124 HydrophobicContact CE2-CG2 3.69Å; F122-V420 HydrophobicContact CD2-CB 4.28Å; F122-V420 HydrophobicContact CE1-CB 4.1Å; F122-V420 HydrophobicContact CE1-CG1 4.02Å; F122-V420 HydrophobicContact CE2-CB 3.79Å; F122-V420 HydrophobicContact CE2-CG1 4.21Å; F122-V420 HydrophobicContact CE2-CG2 4.07Å; F122-V420 HydrophobicContact CZ-CB 3.71Å; F122-V420 HydrophobicContact CZ-CG1 3.64Å; F122-V420 HydrophobicContact CZ-CG2 4.35Å; F122-V420 PolarHBondContact N-O 3.38Å; F122-V420 PolarHBondContact O-N 2.75Å; F122-V422 HydrophobicContact CE1-CG2 3.62Å; F122-V422 HydrophobicContact CZ-CG2 4.27Å; F122-I436 HydrophobicContact CE2-CD1 4.38Å; F122-I436 HydrophobicContact CZ-CD1 3.93Å; F122-L445 HydrophobicContact CD2-CD2 4.45Å; F122-L445 HydrophobicContact CE2-CD2 3.58Å; F122-L445 HydrophobicContact CZ-CD2 4.28Å; F122-V447 HydrophobicContact CZ-CG2 4.13Å |
| 123 | K | 96.3 | Very high | 89.2 | Confident | 116 Ų | 116 | 36.6 Ų | 36.6 | 50% | 0.504 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 132.6 | -175.4 | -171 | -179.4 | 178.7 | -174.6 | 0 | 110.8 | S417 | K123-S417 WeakPolarHBondContact CE-OG 3.5Å |
| 124 | V | 96.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 124.8 | 169.8 | 176.3 | 0 | 0 | 0 | 0 | 108.3 | M105 F122 S417 F418 V420 L445 | M105-V124 HydrophobicContact CE-CG1 3.33Å; M105-V124 HydrophobicContact CG-CG1 4Å; M105-V124 HydrophobicContact SD-CG1 4.49Å; F122-V124 HydrophobicContact CD2-CG2 4.06Å; F122-V124 HydrophobicContact CE2-CG2 3.69Å; V124-S417 CarbonylContact O-C 3.44Å; V124-S417 WeakPolarHBondContact O-CA 3.31Å; V124-S417 WeakPolarHBondContact O-CB 3.14Å; V124-F418 PolarHBondContact N-O 2.88Å; V124-F418 PolarHBondContact O-N 3.5Å; V124-V420 HydrophobicContact CB-CG2 4.43Å; V124-V420 HydrophobicContact CG2-CG2 3.72Å; V124-L445 HydrophobicContact CG2-CD2 3.67Å |
| 125 | S | 95.2 | Very high | 88.8 | Confident | 13 Ų | 13 | 32.7 Ų | 32.7 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 138.2 | 174.4 | -79.9 | 0 | 0 | 0 | 0 | 110.3 | M105 T106 E415 | M105-S125 WeakPolarHBondContact CA-O 3.4Å; T106-S125 PolarHBondContact N-O 3.3Å; T106-S125 PolarHBondContact O-N 3.32Å; S125-E415 VanDerWaalsContact CB-OE1 3.31Å; S125-E415 WeakPolarHBondContact CB-OE1 3.48Å; S125-E415 PolarHBondContact OG-OE1 3.01Å |
| 126 | F | 92.9 | Very high | 89 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 135.4 | 176.1 | 177.3 | -94.8 | 0 | 0 | 0 | 110 | Q104 M105 R128 V375 I416 F418 P438 I441 | Q104-F126 HydrophobicContact CB-CD2 4.45Å; Q104-F126 HydrophobicContact CB-CE2 3.99Å; Q104-F126 CarbonylContact O-C 3.53Å; Q104-F126 VanDerWaalsContact O-CA 3.28Å; Q104-F126 WeakPolarHBondContact O-CA 3.45Å; Q104-F126 WeakPolarHBondContact O-CD2 3.27Å; M105-F126 HydrophobicContact CB-CD2 4.48Å; F126-R128 HydrophobicContact CE1-CB 4.24Å; F126-V375 HydrophobicContact CD1-CG1 3.83Å; F126-V375 HydrophobicContact CD1-CG2 4.04Å; F126-V375 HydrophobicContact CE1-CB 4.46Å; F126-V375 HydrophobicContact CE1-CG1 3.93Å; F126-V375 HydrophobicContact CE1-CG2 3.64Å; F126-V375 HydrophobicContact CG-CG1 4.32Å; F126-I416 HydrophobicContact CB-CG1 4.1Å; F126-I416 HydrophobicContact CD1-CD1 4.03Å; F126-I416 HydrophobicContact CD1-CG1 4.03Å; F126-I416 PolarHBondContact N-O 2.92Å; F126-I416 WeakPolarHBondContact O-CG1 3.36Å; F126-I416 PolarHBondContact O-N 3.49Å; F126-I416 VanDerWaalsContact O-O 3.13Å; F126-F418 HydrophobicContact CB-CE2 4.33Å; F126-P438 HydrophobicContact CD2-CB 4.35Å; F126-P438 HydrophobicContact CD2-CG 3.68Å; F126-P438 HydrophobicContact CE2-CB 4.17Å; F126-P438 HydrophobicContact CE2-CG 3.65Å; F126-I441 HydrophobicContact CE2-CG1 4.2Å; F126-I441 HydrophobicContact CE2-CG2 4.27Å; F126-I441 HydrophobicContact CZ-CG1 4.23Å |
| 127 | K | 89.6 | Confident | 89.3 | Confident | 30 Ų | 30 | 32.4 Ų | 32.4 | 13% | 0.13 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 121.5 | 174.4 | -179.4 | -174.7 | 173.6 | -159.1 | 0 | 109.4 | L93 S94 Q104 A129 E413 E415 | L93-K127 HydrophobicContact CB-CB 4.42Å; L93-K127 HydrophobicContact CB-CD 4.47Å; L93-K127 HydrophobicContact CD1-CB 3.82Å; L93-K127 HydrophobicContact CD2-CB 4.36Å; L93-K127 HydrophobicContact CG-CB 4.44Å; S94-K127 PolarHBondContact O-NZ 2.98Å; Q104-K127 WeakPolarHBondContact CA-O 3.49Å; Q104-K127 VanDerWaalsContact CB-O 3.28Å; Q104-K127 WeakPolarHBondContact CB-O 3.36Å; Q104-K127 PolarHBondContact O-N 3.41Å; K127-A129 PolarHBondContact O-N 3.45Å; K127-E413 WeakPolarHBondContact CE-O 3.34Å; K127-E413 WeakPolarHBondContact CE-OE2 3.48Å; K127-E413 IonicContact NZ-OE2 2.62Å; K127-E413 PolarHBondContact NZ-OE2 3.36Å; K127-E415 HydrophobicContact CB-CB 4.48Å |
| 128 | R | 83.4 | Confident | 89.6 | Confident | 47 Ų | 47 | 31.4 Ų | 31.4 | 18% | 0.177 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 124.2 | 177.1 | -171.7 | 177.1 | 82.4 | -179.5 | 13.2 | 110.2 | F126 T372 V410 A412 E413 | F126-R128 HydrophobicContact CE1-CB 4.24Å; R128-T372 VanDerWaalsContact NH1-C 3.28Å; R128-T372 PolarHBondContact NH1-O 2.96Å; R128-T372 PolarHBondContact NH1-OG1 3.1Å; R128-V410 PolarHBondContact NH1-O 2.75Å; R128-A412 VanDerWaalsContact NH2-N 3.16Å; R128-E413 PolarHBondContact O-N 2.78Å; R128-E413 VanDerWaalsContact O-N 3.13Å |
| 129 | A | 77.9 | Confident | 89.9 | Confident | 9 Ų | 9 | 30 Ų | 30 | 7% | 0.074 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -77.6 | 133.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P102 Q104 K127 | P102-A129 HydrophobicContact CB-CB 3.81Å; P102-A129 HydrophobicContact CG-CB 3.92Å; Q104-A129 HydrophobicContact CG-CB 3.91Å; K127-A129 PolarHBondContact O-N 3.45Å |
| 130 | E | 74.2 | Confident | 89.9 | Confident | 132 Ų | 132 | 27 Ų | 27 | 62% | 0.617 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 137.2 | 169.4 | -167.1 | 177.3 | -171.8 | 0 | 0 | 111.6 | S97 Y132 E413 | S97-E130 WeakPolarHBondContact CB-O 3.34Å; S97-E130 PolarHBondContact OG-O 3.43Å; E130-Y132 VanDerWaalsContact C-N 3.35Å; E130-Y132 PolarHBondContact O-N 2.94Å; E130-E413 HydrophobicContact CB-CG 4.42Å; E130-E413 PolarHBondContact N-OE1 3.25Å; E130-E413 VanDerWaalsContact N-OE1 3.11Å |
| 131 | G | 70.4 | Confident | 89.9 | Confident | 27 Ų | 27 | 25.5 Ų | 25.5 | 28% | 0.278 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 23.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | T168 | G131-T168 PolarHBondContact O-OG1 3.49Š|
| 132 | Y | 78.9 | Confident | 89.8 | Confident | 9 Ų | 9 | 20 Ų | 20 | 4% | 0.035 | 10% | 0.101 | C | C | . | . | trans | -55.8 | 140.2 | 172.9 | -163.5 | -111.6 | 0 | 0 | 0 | 110.5 | P102 E130 T168 S263 T264 | P102-Y132 HydrophobicContact CG-CD2 3.51Å; P102-Y132 HydrophobicContact CG-CE2 3.72Å; E130-Y132 VanDerWaalsContact C-N 3.35Å; E130-Y132 PolarHBondContact O-N 2.94Å; Y132-T168 WeakPolarHBondContact O-CB 3.4Å; Y132-T168 PolarHBondContact O-OG1 3.28Å; Y132-S263 VanDerWaalsContact CE1-C 3.43Å; Y132-T264 WeakPolarHBondContact CD1-OG1 3.5Å | ||
| 133 | P | 87.3 | Confident | 89.6 | Confident | 21 Ų | 21 | 19.6 Ų | 19.6 | 14% | 0.136 | 10% | 0.099 | C | C | . | . | trans | -61.6 | 142 | -177.9 | -22.5 | 33.5 | 0 | 0 | 0 | 111.9 | D170 S263 T264 | P133-D170 VanDerWaalsContact CA-O 3.28Å; P133-D170 WeakPolarHBondContact CA-O 3.29Å; P133-D170 HydrophobicContact CB-CB 4.22Å; P133-D170 HydrophobicContact CG-CB 4.37Å; P133-D170 WeakPolarHBondContact CG-OD2 3.34Å; P133-S263 CarbonylContact O-C 3.46Å; P133-S263 WeakPolarHBondContact O-CA 3.27Å; P133-S263 WeakPolarHBondContact O-CB 3.48Å; P133-T264 PolarHBondContact O-N 2.77Å | ||
| 134 | V | 89.3 | Confident | 89.4 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 129.8 | 179 | 178.6 | 0 | 0 | 0 | 0 | 109.4 | L164 I167 T168 D170 A171 K172 R260 T264 L266 Y368 | V134-L164 HydrophobicContact CG1-CD2 4.21Å; V134-I167 HydrophobicContact CG2-CG2 4.37Å; V134-T168 HydrophobicContact CB-CG2 3.62Å; V134-T168 HydrophobicContact CG2-CG2 3.53Å; V134-D170 PolarHBondContact N-O 2.77Å; V134-A171 CarbonylContact O-C 3.26Å; V134-A171 WeakPolarHBondContact O-CA 3.26Å; V134-K172 PolarHBondContact O-N 3.04Å; V134-R260 PolarHBondContact O-NH2 3.18Å; V134-T264 WeakPolarHBondContact CA-O 3.39Å; V134-L266 HydrophobicContact CG1-CD1 3.72Å; V134-L266 HydrophobicContact CG1-CG 4.29Å; V134-Y368 HydrophobicContact CG2-CE2 3.89Å |
| 135 | D | 92.4 | Very high | 89 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122.5 | 169 | -66.7 | -20.2 | 0 | 0 | 0 | 108.1 | K172 M217 W259 R260 S263 T264 L266 | D135-K172 WeakPolarHBondContact CA-O 3.43Å; D135-M217 HydrophobicContact CB-CE 4.04Å; D135-M217 HydrophobicContact CB-SD 4.18Å; D135-W259 HydrophobicContact CB-CE3 3.59Å; D135-W259 HydrophobicContact CB-CZ3 3.61Å; D135-R260 IonicContact OD1-CZ 3.17Å; D135-R260 IonicContact OD1-NE 3.07Å; D135-R260 PolarHBondContact OD1-NE 3.08Å; D135-R260 IonicContact OD1-NH2 3.56Å; D135-R260 PolarHBondContact OD1-NH2 3.21Å; D135-R260 VanDerWaalsContact OD2-CB 3.3Å; D135-R260 WeakPolarHBondContact OD2-CB 3.45Å; D135-R260 PolarHBondContact OD2-N 3.5Å; D135-R260 IonicContact OD2-NE 3.63Å; D135-R260 PolarHBondContact OD2-NE 2.81Å; D135-S263 VanDerWaalsContact CG-OG 3.27Å; D135-S263 WeakPolarHBondContact OD2-CB 3.33Å; D135-S263 PolarHBondContact OD2-OG 2.58Å; D135-T264 PolarHBondContact N-O 3.35Å; D135-L266 PolarHBondContact O-N 3.32Å |
| 136 | L | 93.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 118.5 | 177.6 | -173.7 | 151.1 | 0 | 0 | 0 | 109.9 | Y138 L164 K172 I173 G174 L266 V268 I364 | L136-Y138 HydrophobicContact CD2-CD2 4.42Å; L136-L164 HydrophobicContact CB-CD1 3.77Å; L136-L164 HydrophobicContact CB-CD2 3.99Å; L136-L164 HydrophobicContact CB-CG 4.49Å; L136-L164 HydrophobicContact CD1-CD1 4.12Å; L136-L164 HydrophobicContact CD1-CD2 3.58Å; L136-L164 HydrophobicContact CD1-CG 4.14Å; L136-L164 HydrophobicContact CG-CD1 4.36Å; L136-L164 HydrophobicContact CG-CD2 4.41Å; L136-K172 PolarHBondContact N-O 2.83Å; L136-I173 HydrophobicContact CD2-CD1 4.13Å; L136-I173 HydrophobicContact CD2-CG1 4.02Å; L136-I173 CarbonylContact O-C 3.51Å; L136-I173 VanDerWaalsContact O-CA 3.26Å; L136-I173 WeakPolarHBondContact O-CA 3.4Å; L136-G174 PolarHBondContact O-N 3.04Å; L136-L266 CarbonylContact C-O 3.56Å; L136-L266 WeakPolarHBondContact CA-O 3.41Å; L136-L266 HydrophobicContact CG-CB 4.49Å; L136-V268 HydrophobicContact CD1-CG2 3.78Å; L136-V268 HydrophobicContact CD2-CG2 4.09Å; L136-V268 HydrophobicContact CG-CG2 3.95Å; L136-I364 HydrophobicContact CD1-CD1 4.24Å; L136-I364 HydrophobicContact CD1-CG2 3.82Å |
| 137 | Y | 96.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 112.1 | 171.3 | -163.8 | -106.1 | 0 | 0 | 0 | 109.3 | L139 F175 G176 Y211 H213 M217 A250 I257 W259 L266 I267 V268 | Y137-L139 HydrophobicContact CD1-CB 4.46Å; Y137-L139 HydrophobicContact CE1-CD1 4.14Å; Y137-F175 PolarHBondContact OH-O 3.26Å; Y137-G176 VanDerWaalsContact OH-CA 3.24Å; Y137-G176 WeakPolarHBondContact OH-CA 3.43Å; Y137-G176 PolarHBondContact OH-N 3.26Å; Y137-Y211 PolarHBondContact OH-OH 2.9Å; Y137-H213 AromaticContact CE2-CE1 3.92Å; Y137-H213 AromaticContact CE2-ND1 3.74Å; Y137-H213 AromaticContact CZ-ND1 3.69Å; Y137-H213 PolarHBondContact OH-ND1 3.07Å; Y137-M217 HydrophobicContact CD2-CE 3.95Å; Y137-M217 HydrophobicContact CG-CE 4.27Å; Y137-A250 HydrophobicContact CD1-CB 4.04Å; Y137-A250 HydrophobicContact CE1-CB 3.93Å; Y137-I257 HydrophobicContact CD2-CG2 3.57Å; Y137-I257 HydrophobicContact CE1-CD1 4.35Å; Y137-I257 HydrophobicContact CE2-CD1 3.88Å; Y137-I257 HydrophobicContact CE2-CG2 3.83Å; Y137-I257 HydrophobicContact CG-CG2 4.14Å; Y137-W259 VanDerWaalsContact CB-CH2 3.46Å; Y137-W259 HydrophobicContact CG-CZ2 4.4Å; Y137-L266 PolarHBondContact N-O 2.92Å; Y137-I267 WeakPolarHBondContact O-CA 3.48Å; Y137-V268 PolarHBondContact O-N 2.54Å |
| 138 | Y | 94.2 | Very high | 88.2 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 112.4 | 179 | -164.3 | -88.1 | 0 | 0 | 0 | 109.2 | L136 M140 V153 L160 G174 F175 G176 V268 A270 V360 | L136-Y138 HydrophobicContact CD2-CD2 4.42Å; Y138-M140 HydrophobicContact CD1-CB 4.08Å; Y138-M140 HydrophobicContact CE1-CB 3.87Å; Y138-M140 HydrophobicContact CE1-CG 4.17Å; Y138-M140 HydrophobicContact CE1-SD 4.12Å; Y138-V153 HydrophobicContact CE1-CG1 4.2Å; Y138-V153 HydrophobicContact CE1-CG2 4.48Å; Y138-L160 HydrophobicContact CD2-CD2 3.63Å; Y138-L160 HydrophobicContact CE2-CD2 4.09Å; Y138-L160 HydrophobicContact CG-CD2 4.13Å; Y138-G174 PolarHBondContact N-O 2.94Å; Y138-F175 AromaticContact CD1-CD2 3.89Å; Y138-F175 HydrophobicContact CD1-CD2 3.89Å; Y138-F175 AromaticContact CD1-CE2 3.64Å; Y138-F175 HydrophobicContact CD1-CE2 3.64Å; Y138-F175 HydrophobicContact CE1-CE2 4.24Å; Y138-F175 HydrophobicContact CG-CD2 4.48Å; Y138-F175 WeakPolarHBondContact O-CA 3.35Å; Y138-G176 PolarHBondContact O-N 2.99Å; Y138-V268 HydrophobicContact CD2-CB 3.95Å; Y138-V268 HydrophobicContact CD2-CG1 3.95Å; Y138-V268 HydrophobicContact CE2-CB 4.34Å; Y138-V268 HydrophobicContact CE2-CG1 3.82Å; Y138-A270 HydrophobicContact CE1-CB 4.15Å; Y138-A270 WeakPolarHBondContact OH-CB 3.32Å; Y138-V360 HydrophobicContact CE2-CG2 4.07Å |
| 139 | L | 96.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 107.9 | -177.9 | -173.2 | 65.7 | 0 | 0 | 0 | 109.1 | Y137 F178 Y211 A246 M247 I267 V268 L269 A270 | Y137-L139 HydrophobicContact CD1-CB 4.46Å; Y137-L139 HydrophobicContact CE1-CD1 4.14Å; L139-F178 HydrophobicContact CD1-CD1 3.96Å; L139-F178 HydrophobicContact CD2-CD1 4.27Å; L139-F178 HydrophobicContact CD2-CE1 4.39Å; L139-F178 HydrophobicContact CG-CD1 3.7Å; L139-F178 HydrophobicContact CG-CE1 3.88Å; L139-Y211 HydrophobicContact CD1-CD2 4.06Å; L139-Y211 HydrophobicContact CD1-CE2 3.56Å; L139-A246 HydrophobicContact CD1-CB 3.97Å; L139-A246 HydrophobicContact CD2-CB 3.76Å; L139-A246 HydrophobicContact CG-CB 4.32Å; L139-M247 HydrophobicContact CD2-CB 4.49Å; L139-M247 HydrophobicContact CD2-CG 3.69Å; L139-I267 HydrophobicContact CB-CG2 4.3Å; L139-I267 HydrophobicContact CD2-CG2 4.5Å; L139-V268 PolarHBondContact N-O 3.43Å; L139-L269 HydrophobicContact CB-CD1 4.39Å; L139-L269 HydrophobicContact CD2-CD1 3.67Å; L139-L269 HydrophobicContact CG-CD1 4.03Å; L139-L269 WeakPolarHBondContact O-CA 3.2Å; L139-A270 PolarHBondContact O-N 3.05Å |
| 140 | M | 94 | Very high | 88.6 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 132 | -170.4 | -170.8 | 166.5 | -174.4 | 0 | 0 | 111.9 | Y138 L142 M146 D149 L150 V153 F175 G176 A177 F178 | Y138-M140 HydrophobicContact CD1-CB 4.08Å; Y138-M140 HydrophobicContact CE1-CB 3.87Å; Y138-M140 HydrophobicContact CE1-CG 4.17Å; Y138-M140 HydrophobicContact CE1-SD 4.12Å; M140-L142 HydrophobicContact CG-CD2 4.1Å; M140-L142 HydrophobicContact SD-CD2 4.21Å; M140-M146 HydrophobicContact CE-CE 4.21Å; M140-D149 HydrophobicContact CE-CB 4.28Å; M140-L150 VanDerWaalsContact CE-CA 3.48Å; M140-L150 HydrophobicContact CE-CB 3.91Å; M140-L150 HydrophobicContact CE-CD1 4.06Å; M140-L150 HydrophobicContact SD-CD1 3.95Å; M140-V153 HydrophobicContact CE-CB 4.1Å; M140-V153 HydrophobicContact CE-CG2 3.76Å; M140-V153 HydrophobicContact SD-CB 4.02Å; M140-V153 HydrophobicContact SD-CG1 3.91Å; M140-V153 HydrophobicContact SD-CG2 3.98Å; M140-F175 HydrophobicContact CB-CE2 3.95Å; M140-F175 HydrophobicContact CB-CZ 3.7Å; M140-F175 HydrophobicContact CG-CZ 4.41Å; M140-F175 HydrophobicContact SD-CE2 4.26Å; M140-F175 HydrophobicContact SD-CZ 4.05Å; M140-G176 PolarHBondContact N-O 2.94Å; M140-A177 VanDerWaalsContact O-CA 3.29Å; M140-A177 WeakPolarHBondContact O-CA 3.4Å; M140-F178 VanDerWaalsContact C-CE1 3.47Å; M140-F178 WeakPolarHBondContact O-CD1 3.4Å; M140-F178 PolarHBondContact O-N 3.49Å |
| 141 | D | 95.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 125.4 | 165.3 | -172.7 | -8.5 | 0 | 0 | 0 | 110.2 | S143 M146 F178 A270 T271 | D141-S143 WeakPolarHBondContact OD1-CB 3.44Å; D141-S143 PolarHBondContact OD1-N 2.03Å; D141-S143 PolarHBondContact OD1-OG 3.15Å; D141-S143 PolarHBondContact OD2-OG 2.84Å; D141-M146 HydrophobicContact CB-CE 4.24Å; D141-M146 HydrophobicContact CB-CG 3.8Å; D141-M146 HydrophobicContact CB-SD 4.34Å; D141-M146 WeakPolarHBondContact O-CB 3.45Å; D141-M146 WeakPolarHBondContact O-CG 3.43Å; D141-F178 HydrophobicContact CB-CE1 4.1Å; D141-F178 HydrophobicContact CB-CE2 3.92Å; D141-F178 HydrophobicContact CB-CZ 3.57Å; D141-A270 VanDerWaalsContact CB-O 3.22Å; D141-A270 WeakPolarHBondContact CB-O 3.42Å; D141-A270 PolarHBondContact N-O 3.1Å; D141-T271 WeakPolarHBondContact OD2-CB 3.32Å; D141-T271 PolarHBondContact OD2-OG1 3.44Å |
| 142 | L | 95.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -112.3 | 20.9 | 176.2 | -63.3 | -170.5 | 0 | 0 | 0 | 112.3 | M140 L150 A177 F178 V179 F209 Q231 I233 S234 | M140-L142 HydrophobicContact CG-CD2 4.1Å; M140-L142 HydrophobicContact SD-CD2 4.21Å; L142-L150 HydrophobicContact CD2-CD1 3.93Å; L142-L150 HydrophobicContact CD2-CD2 4.16Å; L142-L150 HydrophobicContact CD2-CG 4.5Å; L142-A177 HydrophobicContact CD1-CB 3.41Å; L142-A177 VanDerWaalsContact CD1-CB 3.41Å; L142-A177 HydrophobicContact CG-CB 3.81Å; L142-F178 PolarHBondContact N-O 3.37Å; L142-V179 HydrophobicContact CB-CG2 4.24Å; L142-F209 HydrophobicContact CB-CZ 4.49Å; L142-F209 HydrophobicContact CD1-CZ 4.22Å; L142-Q231 HydrophobicContact CD1-CB 4.35Å; L142-I233 HydrophobicContact CB-CD1 4.43Å; L142-I233 HydrophobicContact CD2-CD1 4.48Å; L142-I233 WeakPolarHBondContact O-CD1 3.24Å; L142-I233 WeakPolarHBondContact O-CG1 3.46Å; L142-S234 CarbonylContact O-C 3.45Å; L142-S234 PolarHBondContact O-N 3.05Å | ||
| 143 | S | 93.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -57.3 | 160.3 | 167.3 | 69.5 | 0 | 0 | 0 | 0 | 111.1 | D141 S145 M146 I233 E241 | D141-S143 WeakPolarHBondContact OD1-CB 3.44Å; D141-S143 PolarHBondContact OD1-N 2.03Å; D141-S143 PolarHBondContact OD1-OG 3.15Å; D141-S143 PolarHBondContact OD2-OG 2.84Å; S143-S145 PolarHBondContact O-N 3.38Å; S143-S145 VanDerWaalsContact O-N 3.15Å; S143-S145 PolarHBondContact OG-OG 3.06Å; S143-S145 VanDerWaalsContact OG-OG 3.07Å; S143-M146 PolarHBondContact O-N 2.86Å; S143-M146 VanDerWaalsContact O-N 3.1Å; S143-I233 WeakPolarHBondContact O-CD1 3.46Å; S143-I233 WeakPolarHBondContact O-CG1 3.35Å; S143-E241 WeakPolarHBondContact CB-OE1 3.14Å |
| 144 | Y | 91.1 | Very high | 89.1 | Confident | 83 Ų | 83 | 22.9 Ų | 22.9 | 33% | 0.325 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | -62.8 | -27.4 | -172.4 | -174.3 | -103.1 | 0 | 0 | 0 | 113.1 | M146 K147 C198 E202 I233 S234 | Y144-M146 VanDerWaalsContact C-N 3.29Å; Y144-M146 PolarHBondContact O-N 2.87Å; Y144-K147 WeakPolarHBondContact O-CB 3.32Å; Y144-C198 HydrophobicContact CD2-CB 4.12Å; Y144-C198 HydrophobicContact CE2-CB 4.22Å; Y144-E202 HydrophobicContact CE2-CB 4.48Å; Y144-E202 HydrophobicContact CE2-CG 4.47Å; Y144-I233 HydrophobicContact CD2-CG2 4.04Å; Y144-S234 WeakPolarHBondContact CA-O 3.27Å; Y144-S234 PolarHBondContact N-O 2.88Å |
| 145 | S | 89.3 | Confident | 88.3 | Confident | 56 Ų | 56 | 30.1 Ų | 30.1 | 39% | 0.392 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -65.1 | -31.5 | 177.5 | 55 | 0 | 0 | 0 | 0 | 112.7 | S143 K147 D272 | S143-S145 PolarHBondContact O-N 3.38Å; S143-S145 VanDerWaalsContact O-N 3.15Å; S143-S145 PolarHBondContact OG-OG 3.06Å; S143-S145 VanDerWaalsContact OG-OG 3.07Å; S145-K147 PolarHBondContact O-N 2.85Å; S145-D272 WeakPolarHBondContact CB-OD2 3.19Å; S145-D272 PolarHBondContact OG-OD1 2.73Å; S145-D272 PolarHBondContact OG-OD2 3.34Å; S145-D272 VanDerWaalsContact OG-OD2 3.06Å |
| 146 | M | 89.3 | Confident | 87.1 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -78.1 | 14.9 | -178.1 | -64.8 | -69.9 | -64.3 | 0 | 0 | 114.6 | M140 D141 S143 Y144 D149 L150 I233 D272 | M140-M146 HydrophobicContact CE-CE 4.21Å; D141-M146 HydrophobicContact CB-CE 4.24Å; D141-M146 HydrophobicContact CB-CG 3.8Å; D141-M146 HydrophobicContact CB-SD 4.34Å; D141-M146 WeakPolarHBondContact O-CB 3.45Å; D141-M146 WeakPolarHBondContact O-CG 3.43Å; S143-M146 PolarHBondContact O-N 2.86Å; S143-M146 VanDerWaalsContact O-N 3.1Å; Y144-M146 VanDerWaalsContact C-N 3.29Å; Y144-M146 PolarHBondContact O-N 2.87Å; M146-D149 HydrophobicContact CE-CB 3.76Å; M146-D149 PolarHBondContact O-N 3.01Å; M146-D149 HydrophobicContact SD-CB 4.4Å; M146-L150 WeakPolarHBondContact O-CB 3.08Å; M146-L150 PolarHBondContact O-N 3.16Å; M146-I233 HydrophobicContact CB-CD1 4.12Å; M146-D272 HydrophobicContact SD-CB 3.79Å; M146-D272 PolarHBondContact SD-N 3.47Å |
| 147 | K | 87.6 | Confident | 85.9 | Confident | 96 Ų | 96 | 30.7 Ų | 30.7 | 42% | 0.417 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.9 | -45.8 | -172.2 | 175.6 | 178 | 170.5 | 176.9 | 0 | 113.1 | Y144 S145 A151 E202 I233 | Y144-K147 WeakPolarHBondContact O-CB 3.32Å; S145-K147 PolarHBondContact O-N 2.85Å; K147-A151 PolarHBondContact O-N 3.09Å; K147-E202 WeakPolarHBondContact CE-OE2 3.41Å; K147-E202 IonicContact NZ-OE2 3.48Å; K147-E202 PolarHBondContact NZ-OE2 2.95Å; K147-I233 HydrophobicContact CB-CG1 4.36Å |
| 148 | D | 83.6 | Confident | 84.5 | Confident | 85 Ų | 85 | 31 Ų | 31 | 46% | 0.455 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -71.6 | -37.9 | 176.7 | 56.2 | -23.8 | 0 | 0 | 0 | 111.7 | L150 A151 N152 | D148-L150 PolarHBondContact O-N 3.34Å; D148-A151 WeakPolarHBondContact O-CB 3.46Å; D148-A151 PolarHBondContact O-N 2.8Å; D148-N152 PolarHBondContact O-N 3Å; D148-N152 VanDerWaalsContact O-N 3.12Å; D148-N152 PolarHBondContact O-ND2 2.98Å |
| 149 | D | 83.4 | Confident | 83.6 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59 | -44.9 | 171.7 | -69.1 | -68.9 | 0 | 0 | 0 | 112.2 | M140 M146 A151 N152 V153 S357 | M140-D149 HydrophobicContact CE-CB 4.28Å; M146-D149 HydrophobicContact CE-CB 3.76Å; M146-D149 PolarHBondContact O-N 3.01Å; M146-D149 HydrophobicContact SD-CB 4.4Å; D149-A151 VanDerWaalsContact C-N 3.31Å; D149-A151 PolarHBondContact O-N 3.43Å; D149-N152 CarbonylContact O-C 3.57Å; D149-N152 PolarHBondContact O-N 2.92Å; D149-N152 VanDerWaalsContact O-N 3.08Å; D149-V153 WeakPolarHBondContact O-CG2 3.32Å; D149-V153 PolarHBondContact O-N 3.35Å; D149-S357 WeakPolarHBondContact OD1-CB 3.09Å; D149-S357 PolarHBondContact OD1-N 3.45Å; D149-S357 PolarHBondContact OD1-OG 3Å |
| 150 | L | 85.7 | Confident | 82.7 | Confident | 9 Ų | 9 | 34.8 Ų | 34.8 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.3 | -40.9 | 176.1 | -178.8 | 61.7 | 0 | 0 | 0 | 112 | M140 L142 M146 D148 N152 V153 K154 Q231 I233 | M140-L150 VanDerWaalsContact CE-CA 3.48Å; M140-L150 HydrophobicContact CE-CB 3.91Å; M140-L150 HydrophobicContact CE-CD1 4.06Å; M140-L150 HydrophobicContact SD-CD1 3.95Å; L142-L150 HydrophobicContact CD2-CD1 3.93Å; L142-L150 HydrophobicContact CD2-CD2 4.16Å; L142-L150 HydrophobicContact CD2-CG 4.5Å; M146-L150 WeakPolarHBondContact O-CB 3.08Å; M146-L150 PolarHBondContact O-N 3.16Å; D148-L150 PolarHBondContact O-N 3.34Å; L150-N152 VanDerWaalsContact C-N 3.28Å; L150-N152 PolarHBondContact O-N 3.22Å; L150-V153 PolarHBondContact O-N 3.29Å; L150-K154 HydrophobicContact CD1-CG 4.43Å; L150-K154 WeakPolarHBondContact O-CB 3.15Å; L150-K154 VanDerWaalsContact O-CG 3.26Å; L150-K154 WeakPolarHBondContact O-CG 3.46Å; L150-K154 PolarHBondContact O-N 3.22Å; L150-Q231 HydrophobicContact CD1-CB 4.35Å; L150-I233 HydrophobicContact CB-CD1 4.4Å; L150-I233 HydrophobicContact CD2-CD1 4.22Å |
| 151 | A | 83.9 | Confident | 81.9 | Confident | 59 Ų | 59 | 35.7 Ų | 35.7 | 49% | 0.488 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.6 | -39.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K147 D148 D149 R155 | K147-A151 PolarHBondContact O-N 3.09Å; D148-A151 WeakPolarHBondContact O-CB 3.46Å; D148-A151 PolarHBondContact O-N 2.8Å; D149-A151 VanDerWaalsContact C-N 3.31Å; D149-A151 PolarHBondContact O-N 3.43Å; A151-R155 PolarHBondContact O-N 3.22Å |
| 152 | N | 77.6 | Confident | 81 | Confident | 22 Ų | 22 | 38.5 Ų | 38.5 | 12% | 0.118 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.6 | -42.8 | 175.8 | -69.7 | -51 | 0 | 0 | 0 | 111.9 | D148 D149 L150 K154 R155 L156 D356 | D148-N152 PolarHBondContact O-N 3Å; D148-N152 VanDerWaalsContact O-N 3.12Å; D148-N152 PolarHBondContact O-ND2 2.98Å; D149-N152 CarbonylContact O-C 3.57Å; D149-N152 PolarHBondContact O-N 2.92Å; D149-N152 VanDerWaalsContact O-N 3.08Å; L150-N152 VanDerWaalsContact C-N 3.28Å; L150-N152 PolarHBondContact O-N 3.22Å; N152-K154 VanDerWaalsContact C-N 3.3Å; N152-K154 PolarHBondContact O-N 2.82Å; N152-R155 CarbonylContact O-C 3.51Å; N152-R155 WeakPolarHBondContact O-CA 3.12Å; N152-R155 VanDerWaalsContact O-CB 3.32Å; N152-R155 WeakPolarHBondContact O-CB 3.28Å; N152-R155 PolarHBondContact O-N 2.85Å; N152-R155 PolarHBondContact OD1-NH2 3.23Å; N152-L156 HydrophobicContact CB-CD1 4.23Å; N152-L156 WeakPolarHBondContact O-CB 3.41Å; N152-L156 WeakPolarHBondContact O-CD1 3.39Å; N152-L156 WeakPolarHBondContact O-CG 2.97Å; N152-L156 PolarHBondContact O-N 2.98Å; N152-D356 WeakPolarHBondContact CB-O 3Å; N152-D356 PolarHBondContact ND2-O 3.35Å |
| 153 | V | 77.3 | Confident | 80.1 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.024 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.5 | -38.2 | 176.8 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | Y138 M140 D149 L150 R155 L156 G157 V228 | Y138-V153 HydrophobicContact CE1-CG1 4.2Å; Y138-V153 HydrophobicContact CE1-CG2 4.48Å; M140-V153 HydrophobicContact CE-CB 4.1Å; M140-V153 HydrophobicContact CE-CG2 3.76Å; M140-V153 HydrophobicContact SD-CB 4.02Å; M140-V153 HydrophobicContact SD-CG1 3.91Å; M140-V153 HydrophobicContact SD-CG2 3.98Å; D149-V153 WeakPolarHBondContact O-CG2 3.32Å; D149-V153 PolarHBondContact O-N 3.35Å; L150-V153 PolarHBondContact O-N 3.29Å; V153-R155 VanDerWaalsContact C-N 3.28Å; V153-R155 PolarHBondContact O-N 3.41Å; V153-L156 CarbonylContact O-C 3.54Å; V153-L156 PolarHBondContact O-N 2.94Å; V153-L156 VanDerWaalsContact O-N 3.1Å; V153-G157 PolarHBondContact O-N 3.3Å; V153-V228 HydrophobicContact CG1-CG1 3.83Å |
| 154 | K | 82.5 | Confident | 79.4 | Confident | 60 Ų | 60 | 38.5 Ų | 38.5 | 26% | 0.261 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.8 | -38.4 | 171 | -73 | -178 | -178.8 | -162.9 | 0 | 112.7 | L150 N152 V228 A229 Q231 | L150-K154 HydrophobicContact CD1-CG 4.43Å; L150-K154 WeakPolarHBondContact O-CB 3.15Å; L150-K154 VanDerWaalsContact O-CG 3.26Å; L150-K154 WeakPolarHBondContact O-CG 3.46Å; L150-K154 PolarHBondContact O-N 3.22Å; N152-K154 VanDerWaalsContact C-N 3.3Å; N152-K154 PolarHBondContact O-N 2.82Å; K154-V228 HydrophobicContact CG-CG1 4.12Å; K154-A229 WeakPolarHBondContact CE-O 3.44Å; K154-A229 PolarHBondContact NZ-O 3.13Å; K154-Q231 WeakPolarHBondContact CE-O 3.33Å; K154-Q231 PolarHBondContact NZ-O 3.32Å |
| 155 | R | 73.8 | Confident | 78.9 | Confident | 152 Ų | 152 | 37.9 Ų | 37.9 | 57% | 0.574 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -72.8 | -35.4 | 173.8 | -174.5 | 177.7 | 66.9 | -167.8 | -5 | 112 | A151 N152 V153 N358 | A151-R155 PolarHBondContact O-N 3.22Å; N152-R155 CarbonylContact O-C 3.51Å; N152-R155 WeakPolarHBondContact O-CA 3.12Å; N152-R155 VanDerWaalsContact O-CB 3.32Å; N152-R155 WeakPolarHBondContact O-CB 3.28Å; N152-R155 PolarHBondContact O-N 2.85Å; N152-R155 PolarHBondContact OD1-NH2 3.23Å; V153-R155 VanDerWaalsContact C-N 3.28Å; V153-R155 PolarHBondContact O-N 3.41Å; R155-N358 PolarHBondContact NH2-OD1 3.12Å |
| 156 | L | 67.3 | Low | 78.4 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 6% | 0.058 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -85.4 | -9.4 | -175.2 | -67.4 | 163.8 | 0 | 0 | 0 | 113.7 | N152 V153 G158 N159 L160 S357 V360 | N152-L156 HydrophobicContact CB-CD1 4.23Å; N152-L156 WeakPolarHBondContact O-CB 3.41Å; N152-L156 WeakPolarHBondContact O-CD1 3.39Å; N152-L156 WeakPolarHBondContact O-CG 2.97Å; N152-L156 PolarHBondContact O-N 2.98Å; V153-L156 CarbonylContact O-C 3.54Å; V153-L156 PolarHBondContact O-N 2.94Å; V153-L156 VanDerWaalsContact O-N 3.1Å; L156-G158 CarbonylContact O-C 3.59Å; L156-G158 PolarHBondContact O-N 3.36Å; L156-N159 HydrophobicContact CD2-CB 4.27Å; L156-N159 CarbonylContact O-C 3.54Å; L156-N159 WeakPolarHBondContact O-CA 3.29Å; L156-N159 WeakPolarHBondContact O-CB 3.48Å; L156-N159 PolarHBondContact O-N 3.21Å; L156-L160 PolarHBondContact O-N 2.99Å; L156-S357 VanDerWaalsContact CD1-O 3.23Å; L156-S357 WeakPolarHBondContact CD1-O 3.49Å; L156-V360 HydrophobicContact CD1-CG1 3.87Å |
| 157 | G | 67.4 | Low | 78 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.7 | -30.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V153 F224 | V153-G157 PolarHBondContact O-N 3.3Å; G157-F224 WeakPolarHBondContact O-CD1 3.43Å |
| 158 | G | 67.5 | Low | 77.7 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 5% | 0.052 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -74.4 | -43 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L156 L160 F161 D162 | L156-G158 CarbonylContact O-C 3.59Å; L156-G158 PolarHBondContact O-N 3.36Å; G158-L160 VanDerWaalsContact C-N 3.32Å; G158-L160 PolarHBondContact O-N 3.31Å; G158-F161 PolarHBondContact O-N 2.89Å; G158-D162 PolarHBondContact O-N 3.4Å |
| 159 | N | 74.8 | Confident | 77.5 | Confident | 79 Ų | 79 | 45.1 Ų | 45.1 | 42% | 0.422 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.5 | -31.7 | -177.5 | -62.9 | -2.3 | 0 | 0 | 0 | 112.4 | L156 D162 A163 V361 | L156-N159 HydrophobicContact CD2-CB 4.27Å; L156-N159 CarbonylContact O-C 3.54Å; L156-N159 WeakPolarHBondContact O-CA 3.29Å; L156-N159 WeakPolarHBondContact O-CB 3.48Å; L156-N159 PolarHBondContact O-N 3.21Å; N159-D162 PolarHBondContact O-N 3.44Å; N159-A163 PolarHBondContact O-N 3.43Å; N159-V361 HydrophobicContact CB-CG2 4.05Å |
| 160 | L | 77.1 | Confident | 77.7 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.8 | -41.7 | 176.5 | -171.7 | 65.1 | 0 | 0 | 0 | 111.6 | Y138 L156 G158 A163 L164 I173 F224 I364 | Y138-L160 HydrophobicContact CD2-CD2 3.63Å; Y138-L160 HydrophobicContact CE2-CD2 4.09Å; Y138-L160 HydrophobicContact CG-CD2 4.13Å; L156-L160 PolarHBondContact O-N 2.99Å; G158-L160 VanDerWaalsContact C-N 3.32Å; G158-L160 PolarHBondContact O-N 3.31Å; L160-A163 WeakPolarHBondContact O-CB 3.49Å; L160-A163 PolarHBondContact O-N 2.95Å; L160-L164 PolarHBondContact O-N 3.11Å; L160-I173 HydrophobicContact CD2-CD1 3.69Å; L160-I173 HydrophobicContact CG-CD1 3.93Å; L160-F224 HydrophobicContact CD2-CE1 3.98Å; L160-F224 HydrophobicContact CD2-CZ 3.79Å; L160-I364 HydrophobicContact CD1-CD1 3.2Å |
| 161 | F | 77.4 | Confident | 77.8 | Confident | 19 Ų | 19 | 48.1 Ų | 48.1 | 8% | 0.083 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.1 | -38.9 | 173.1 | -166.7 | -94.8 | 0 | 0 | 0 | 111.5 | G158 A163 L164 N165 I173 P219 R221 | G158-F161 PolarHBondContact O-N 2.89Å; F161-A163 VanDerWaalsContact C-N 3.31Å; F161-A163 PolarHBondContact O-N 3.39Å; F161-L164 PolarHBondContact O-N 3.31Å; F161-N165 WeakPolarHBondContact CD1-ND2 3.24Å; F161-N165 WeakPolarHBondContact CE1-ND2 3.4Å; F161-N165 PolarHBondContact O-N 3.44Å; F161-N165 PolarHBondContact O-ND2 3.34Å; F161-I173 HydrophobicContact CD2-CB 4.5Å; F161-I173 HydrophobicContact CD2-CG2 3.86Å; F161-I173 HydrophobicContact CE2-CG2 4.25Å; F161-P219 WeakPolarHBondContact CZ-O 3.43Å; F161-R221 HydrophobicContact CB-CB 4.25Å; F161-R221 HydrophobicContact CB-CG 4Å; F161-R221 HydrophobicContact CD1-CB 3.58Å; F161-R221 HydrophobicContact CD1-CG 4.03Å; F161-R221 HydrophobicContact CD2-CB 4.32Å; F161-R221 HydrophobicContact CE1-CB 3.94Å; F161-R221 HydrophobicContact CG-CB 3.79Å; F161-R221 HydrophobicContact CG-CG 4.09Å; F161-R221 HydrophobicContact CZ-CB 4.48Å |
| 162 | D | 76.7 | Confident | 78.3 | Confident | 58 Ų | 58 | 48 Ų | 48 | 31% | 0.31 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.6 | -33.7 | 176.5 | -63.6 | -22.8 | 0 | 0 | 0 | 112 | G158 N159 N165 K166 R221 | G158-D162 PolarHBondContact O-N 3.4Å; N159-D162 PolarHBondContact O-N 3.44Å; D162-N165 PolarHBondContact O-N 3.01Å; D162-K166 WeakPolarHBondContact O-CG 3.49Å; D162-K166 PolarHBondContact O-N 3.49Å; D162-R221 IonicContact OD1-CZ 3.31Å; D162-R221 IonicContact OD1-NH1 3.48Å; D162-R221 PolarHBondContact OD1-NH1 2.79Å; D162-R221 IonicContact OD2-CZ 2.75Å; D162-R221 IonicContact OD2-NH1 3.4Å; D162-R221 PolarHBondContact OD2-NH1 2.93Å; D162-R221 IonicContact OD2-NH2 2.74Å |
| 163 | A | 76.1 | Confident | 79 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | N159 L160 F161 N165 K166 I167 V361 | N159-A163 PolarHBondContact O-N 3.43Å; L160-A163 WeakPolarHBondContact O-CB 3.49Å; L160-A163 PolarHBondContact O-N 2.95Å; F161-A163 VanDerWaalsContact C-N 3.31Å; F161-A163 PolarHBondContact O-N 3.39Å; A163-N165 VanDerWaalsContact C-N 3.32Å; A163-N165 PolarHBondContact O-N 3.42Å; A163-K166 WeakPolarHBondContact O-CB 3.47Å; A163-K166 PolarHBondContact O-N 2.74Å; A163-I167 PolarHBondContact O-N 3.4Å; A163-V361 HydrophobicContact CB-CB 4.17Å; A163-V361 HydrophobicContact CB-CG1 3.49Å; A163-V361 VanDerWaalsContact CB-CG1 3.49Å; A163-V361 HydrophobicContact CB-CG2 4.13Å |
| 164 | L | 79.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.8 | -39.5 | 176.5 | -73.9 | 174.6 | 0 | 0 | 0 | 112.2 | V134 L136 L160 F161 K166 I167 T168 A171 I173 | V134-L164 HydrophobicContact CG1-CD2 4.21Å; L136-L164 HydrophobicContact CB-CD1 3.77Å; L136-L164 HydrophobicContact CB-CD2 3.99Å; L136-L164 HydrophobicContact CB-CG 4.49Å; L136-L164 HydrophobicContact CD1-CD1 4.12Å; L136-L164 HydrophobicContact CD1-CD2 3.58Å; L136-L164 HydrophobicContact CD1-CG 4.14Å; L136-L164 HydrophobicContact CG-CD1 4.36Å; L136-L164 HydrophobicContact CG-CD2 4.41Å; L160-L164 PolarHBondContact O-N 3.11Å; F161-L164 PolarHBondContact O-N 3.31Å; L164-K166 VanDerWaalsContact C-N 3.26Å; L164-K166 PolarHBondContact O-N 3.06Å; L164-I167 WeakPolarHBondContact O-CB 3.26Å; L164-I167 PolarHBondContact O-N 3.49Å; L164-T168 PolarHBondContact O-N 3.4Å; L164-A171 HydrophobicContact CB-CB 3.88Å; L164-I173 HydrophobicContact CD1-CB 4.19Å; L164-I173 HydrophobicContact CD1-CD1 3.98Å; L164-I173 HydrophobicContact CD1-CG1 4.25Å |
| 165 | N | 79.3 | Confident | 80.4 | Confident | 69 Ų | 69 | 44 Ų | 44 | 37% | 0.369 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.1 | -23.8 | 177.4 | -75.5 | -26.9 | 0 | 0 | 0 | 114 | F161 D162 A163 I167 T168 | F161-N165 WeakPolarHBondContact CD1-ND2 3.24Å; F161-N165 WeakPolarHBondContact CE1-ND2 3.4Å; F161-N165 PolarHBondContact O-N 3.44Å; F161-N165 PolarHBondContact O-ND2 3.34Å; D162-N165 PolarHBondContact O-N 3.01Å; A163-N165 VanDerWaalsContact C-N 3.32Å; A163-N165 PolarHBondContact O-N 3.42Å; N165-I167 VanDerWaalsContact C-N 3.33Å; N165-T168 CarbonylContact C-O 3.55Å; N165-T168 WeakPolarHBondContact CA-O 3.32Å |
| 166 | K | 79.9 | Confident | 81.5 | Confident | 147 Ų | 147 | 36.7 Ų | 36.7 | 64% | 0.639 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -73.4 | -29.5 | 170.4 | -68.2 | 168.4 | -176.8 | 175.8 | 0 | 112 | D162 A163 L164 E365 | D162-K166 WeakPolarHBondContact O-CG 3.49Å; D162-K166 PolarHBondContact O-N 3.49Å; A163-K166 WeakPolarHBondContact O-CB 3.47Å; A163-K166 PolarHBondContact O-N 2.74Å; L164-K166 VanDerWaalsContact C-N 3.26Å; L164-K166 PolarHBondContact O-N 3.06Å; K166-E365 WeakPolarHBondContact CD-OE1 3.49Å; K166-E365 IonicContact NZ-OE1 3.64Å; K166-E365 PolarHBondContact NZ-OE1 3.02Å |
| 167 | I | 79.1 | Confident | 82.9 | Confident | 33 Ų | 33 | 36.2 Ų | 36.2 | 17% | 0.169 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -80 | -48.6 | -178.8 | -65.5 | 168.6 | 0 | 0 | 0 | 110.7 | V134 A163 L164 N165 I364 E365 Y368 | V134-I167 HydrophobicContact CG2-CG2 4.37Å; A163-I167 PolarHBondContact O-N 3.4Å; L164-I167 WeakPolarHBondContact O-CB 3.26Å; L164-I167 PolarHBondContact O-N 3.49Å; N165-I167 VanDerWaalsContact C-N 3.33Å; I167-I364 HydrophobicContact CD1-CG2 4.46Å; I167-E365 HydrophobicContact CD1-CG 4.3Å; I167-E365 HydrophobicContact CG1-CG 4.43Å; I167-Y368 HydrophobicContact CB-CD1 4.5Å; I167-Y368 HydrophobicContact CD1-CD1 4.32Å; I167-Y368 HydrophobicContact CD1-CG 4.14Å; I167-Y368 HydrophobicContact CG1-CD1 4.32Å; I167-Y368 HydrophobicContact CG2-CD1 3.43Å; I167-Y368 VanDerWaalsContact CG2-CD1 3.43Å; I167-Y368 HydrophobicContact CG2-CD2 4.07Å; I167-Y368 HydrophobicContact CG2-CE1 3.18Å; I167-Y368 HydrophobicContact CG2-CE2 3.83Å; I167-Y368 HydrophobicContact CG2-CG 3.86Å |
| 168 | T | 82 | Confident | 84.3 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.025 | 18% | 0.175 | C | C | . | . | trans | -144.5 | 151.9 | -179.5 | -172.5 | 0 | 0 | 0 | 0 | 111.2 | G131 Y132 V134 L164 N165 D170 A171 | G131-T168 PolarHBondContact O-OG1 3.49Å; Y132-T168 WeakPolarHBondContact O-CB 3.4Å; Y132-T168 PolarHBondContact O-OG1 3.28Å; V134-T168 HydrophobicContact CB-CG2 3.62Å; V134-T168 HydrophobicContact CG2-CG2 3.53Å; L164-T168 PolarHBondContact O-N 3.4Å; N165-T168 CarbonylContact C-O 3.55Å; N165-T168 WeakPolarHBondContact CA-O 3.32Å; T168-D170 VanDerWaalsContact C-N 3.3Å; T168-D170 PolarHBondContact OG1-N 3.39Å; T168-A171 HydrophobicContact CG2-CB 3.95Å | ||
| 169 | K | 80.6 | Confident | 85.7 | Confident | 206 Ų | 206 | 36 Ų | 36 | 90% | 0.896 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -79.6 | -15.3 | 174.8 | -65.2 | -179.3 | -178.8 | 173.7 | 0 | 112.8 | ||
| 170 | D | 86.6 | Confident | 86.8 | Confident | 72 Ų | 72 | 32.2 Ų | 32.2 | 39% | 0.385 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -119.3 | 72.9 | -178 | -173.1 | 8.6 | 0 | 0 | 0 | 111.4 | P133 V134 T168 R260 | P133-D170 VanDerWaalsContact CA-O 3.28Å; P133-D170 WeakPolarHBondContact CA-O 3.29Å; P133-D170 HydrophobicContact CB-CB 4.22Å; P133-D170 HydrophobicContact CG-CB 4.37Å; P133-D170 WeakPolarHBondContact CG-OD2 3.34Å; V134-D170 PolarHBondContact N-O 2.77Å; T168-D170 VanDerWaalsContact C-N 3.3Å; T168-D170 PolarHBondContact OG1-N 3.39Å; D170-R260 PolarHBondContact O-NH2 3.23Å; D170-R260 IonicContact OD1-CZ 2.88Å; D170-R260 IonicContact OD1-NH1 3.83Å; D170-R260 PolarHBondContact OD1-NH1 2.92Å; D170-R260 IonicContact OD1-NH2 3.56Å; D170-R260 IonicContact OD2-NH1 3.8Å; D170-R260 PolarHBondContact OD2-NH1 2.87Å |
| 171 | A | 88.9 | Confident | 87.7 | Confident | 5 Ų | 5 | 32 Ų | 32 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 138.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V134 L164 T168 | V134-A171 CarbonylContact O-C 3.26Å; V134-A171 WeakPolarHBondContact O-CA 3.26Å; L164-A171 HydrophobicContact CB-CB 3.88Å; T168-A171 HydrophobicContact CG2-CB 3.95Å |
| 172 | K | 92.7 | Very high | 88.6 | Confident | 57 Ų | 57 | 32.7 Ų | 32.7 | 25% | 0.248 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 146.7 | 162.4 | -64.7 | -174.7 | 179.4 | -175.1 | 0 | 110 | V134 D135 L136 M217 T218 R260 | V134-K172 PolarHBondContact O-N 3.04Å; D135-K172 WeakPolarHBondContact CA-O 3.43Å; L136-K172 PolarHBondContact N-O 2.83Å; K172-M217 HydrophobicContact CB-CB 4.15Å; K172-M217 HydrophobicContact CB-SD 4.39Å; K172-M217 HydrophobicContact CD-CB 4.21Å; K172-T218 WeakPolarHBondContact CA-O 3.46Å; K172-R260 HydrophobicContact CD-CG 4.34Å |
| 173 | I | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140.8 | 178.5 | -163.6 | 168.2 | 0 | 0 | 0 | 110.9 | L136 L160 F161 L164 M217 T218 F224 | L136-I173 HydrophobicContact CD2-CD1 4.13Å; L136-I173 HydrophobicContact CD2-CG1 4.02Å; L136-I173 CarbonylContact O-C 3.51Å; L136-I173 VanDerWaalsContact O-CA 3.26Å; L136-I173 WeakPolarHBondContact O-CA 3.4Å; L160-I173 HydrophobicContact CD2-CD1 3.69Å; L160-I173 HydrophobicContact CG-CD1 3.93Å; F161-I173 HydrophobicContact CD2-CB 4.5Å; F161-I173 HydrophobicContact CD2-CG2 3.86Å; F161-I173 HydrophobicContact CE2-CG2 4.25Å; L164-I173 HydrophobicContact CD1-CB 4.19Å; L164-I173 HydrophobicContact CD1-CD1 3.98Å; L164-I173 HydrophobicContact CD1-CG1 4.25Å; I173-M217 WeakPolarHBondContact O-CA 3.49Å; I173-T218 HydrophobicContact CG2-CG2 4.47Å; I173-T218 PolarHBondContact N-O 2.94Å; I173-T218 WeakPolarHBondContact O-CG2 3.43Å; I173-T218 PolarHBondContact O-N 2.94Å; I173-F224 HydrophobicContact CB-CD2 4.32Å; I173-F224 HydrophobicContact CD1-CD1 4.15Å; I173-F224 HydrophobicContact CD1-CD2 3.92Å; I173-F224 HydrophobicContact CD1-CE1 3.84Å; I173-F224 HydrophobicContact CD1-CE2 3.6Å; I173-F224 HydrophobicContact CD1-CG 4.19Å; I173-F224 HydrophobicContact CD1-CZ 3.57Å; I173-F224 HydrophobicContact CG1-CD2 3.83Å; I173-F224 HydrophobicContact CG1-CE2 3.67Å; I173-F224 HydrophobicContact CG1-CG 4.46Å; I173-F224 HydrophobicContact CG1-CZ 4.17Å; I173-F224 HydrophobicContact CG2-CB 3.81Å; I173-F224 HydrophobicContact CG2-CD2 3.64Å; I173-F224 HydrophobicContact CG2-CE2 4.37Å; I173-F224 HydrophobicContact CG2-CG 3.75Å |
| 174 | G | 95.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 166.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L136 Y138 L215 M217 | L136-G174 PolarHBondContact O-N 3.04Å; Y138-G174 PolarHBondContact N-O 2.94Å; G174-L215 VanDerWaalsContact CA-O 3.29Å; G174-L215 WeakPolarHBondContact CA-O 3.14Å; G174-M217 PolarHBondContact N-SD 3.36Å |
| 175 | F | 95.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 135.4 | -179.3 | -168.4 | -92.6 | 0 | 0 | 0 | 111.4 | Y137 Y138 M140 A177 V214 L215 F224 V228 Q231 | Y137-F175 PolarHBondContact OH-O 3.26Å; Y138-F175 AromaticContact CD1-CD2 3.89Å; Y138-F175 HydrophobicContact CD1-CD2 3.89Å; Y138-F175 AromaticContact CD1-CE2 3.64Å; Y138-F175 HydrophobicContact CD1-CE2 3.64Å; Y138-F175 HydrophobicContact CE1-CE2 4.24Å; Y138-F175 HydrophobicContact CG-CD2 4.48Å; Y138-F175 WeakPolarHBondContact O-CA 3.35Å; M140-F175 HydrophobicContact CB-CE2 3.95Å; M140-F175 HydrophobicContact CB-CZ 3.7Å; M140-F175 HydrophobicContact CG-CZ 4.41Å; M140-F175 HydrophobicContact SD-CE2 4.26Å; M140-F175 HydrophobicContact SD-CZ 4.05Å; F175-A177 HydrophobicContact CE1-CB 4.36Å; F175-V214 HydrophobicContact CD1-CB 3.76Å; F175-V214 HydrophobicContact CD1-CG1 4.08Å; F175-V214 HydrophobicContact CD1-CG2 3.84Å; F175-V214 HydrophobicContact CE1-CG2 4.23Å; F175-V214 WeakPolarHBondContact O-CB 3.45Å; F175-V214 PolarHBondContact O-N 2.93Å; F175-L215 HydrophobicContact CB-CB 4.08Å; F175-L215 PolarHBondContact N-O 3.41Å; F175-L215 PolarHBondContact O-N 3.35Å; F175-F224 HydrophobicContact CB-CD2 4.43Å; F175-F224 HydrophobicContact CB-CE2 3.9Å; F175-F224 HydrophobicContact CD2-CE2 4.02Å; F175-F224 HydrophobicContact CD2-CZ 4.15Å; F175-F224 HydrophobicContact CG-CE2 4.41Å; F175-V228 HydrophobicContact CD2-CG2 3.68Å; F175-V228 HydrophobicContact CE2-CG2 3.9Å; F175-V228 HydrophobicContact CG-CG2 4.11Å; F175-Q231 HydrophobicContact CE1-CG 3.84Å; F175-Q231 HydrophobicContact CZ-CG 4.44Å |
| 176 | G | 96.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 155.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y137 Y138 M140 R212 | Y137-G176 VanDerWaalsContact OH-CA 3.24Å; Y137-G176 WeakPolarHBondContact OH-CA 3.43Å; Y137-G176 PolarHBondContact OH-N 3.26Å; Y138-G176 PolarHBondContact O-N 2.99Å; M140-G176 PolarHBondContact N-O 2.94Å; G176-R212 WeakPolarHBondContact CA-O 3.32Å |
| 177 | A | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 150.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | M140 L142 F175 F209 Y211 R212 V214 | M140-A177 VanDerWaalsContact O-CA 3.29Å; M140-A177 WeakPolarHBondContact O-CA 3.4Å; L142-A177 HydrophobicContact CD1-CB 3.41Å; L142-A177 VanDerWaalsContact CD1-CB 3.41Å; L142-A177 HydrophobicContact CG-CB 3.81Å; F175-A177 HydrophobicContact CE1-CB 4.36Å; A177-F209 HydrophobicContact CB-CE2 4.05Å; A177-F209 HydrophobicContact CB-CZ 3.94Å; A177-Y211 VanDerWaalsContact O-CD2 3.28Å; A177-Y211 WeakPolarHBondContact O-CD2 3.33Å; A177-R212 PolarHBondContact N-O 3.06Å; A177-R212 PolarHBondContact O-N 3.07Å; A177-V214 HydrophobicContact CB-CG2 4.39Å |
| 178 | F | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 159.8 | 172.5 | 68.6 | -85.1 | 0 | 0 | 0 | 111.4 | L139 M140 D141 L142 G210 Y211 E241 S243 A246 L269 | L139-F178 HydrophobicContact CD1-CD1 3.96Å; L139-F178 HydrophobicContact CD2-CD1 4.27Å; L139-F178 HydrophobicContact CD2-CE1 4.39Å; L139-F178 HydrophobicContact CG-CD1 3.7Å; L139-F178 HydrophobicContact CG-CE1 3.88Å; M140-F178 VanDerWaalsContact C-CE1 3.47Å; M140-F178 WeakPolarHBondContact O-CD1 3.4Å; M140-F178 PolarHBondContact O-N 3.49Å; D141-F178 HydrophobicContact CB-CE1 4.1Å; D141-F178 HydrophobicContact CB-CE2 3.92Å; D141-F178 HydrophobicContact CB-CZ 3.57Å; L142-F178 PolarHBondContact N-O 3.37Å; F178-G210 WeakPolarHBondContact CA-O 3.48Å; F178-G210 WeakPolarHBondContact CB-O 3.26Å; F178-Y211 HydrophobicContact CB-CD2 4.5Å; F178-E241 HydrophobicContact CD2-CB 4.42Å; F178-E241 HydrophobicContact CE2-CB 3.97Å; F178-S243 VanDerWaalsContact CE2-CB 3.43Å; F178-A246 HydrophobicContact CB-CB 3.63Å; F178-A246 HydrophobicContact CD1-CB 4.1Å; F178-A246 HydrophobicContact CG-CB 3.93Å; F178-L269 HydrophobicContact CD1-CD1 4.45Å; F178-L269 HydrophobicContact CE1-CD1 3.45Å; F178-L269 VanDerWaalsContact CE1-CD1 3.45Å; F178-L269 HydrophobicContact CZ-CD1 3.64Å |
| 179 | V | 96.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | trans | -135.3 | -93 | 165.2 | -174.6 | 0 | 0 | 0 | 0 | 106.6 | L142 F209 G210 N236 G242 | L142-V179 HydrophobicContact CB-CG2 4.24Å; V179-F209 WeakPolarHBondContact CB-O 3.39Å; V179-F209 HydrophobicContact CG2-CD1 4.45Å; V179-F209 HydrophobicContact CG2-CE1 3.95Å; V179-F209 HydrophobicContact CG2-CZ 4.05Å; V179-G210 PolarHBondContact N-O 2.97Å; V179-N236 HydrophobicContact CG1-CB 3.9Å; V179-G242 PolarHBondContact O-N 2.91Å | ||
| 180 | D | 97 | Very high | 94.3 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | trans | -160.1 | 173.5 | 178.5 | -150.1 | -9.4 | 0 | 0 | 0 | 113 | T182 F209 G210 N236 G242 H276 Y309 | D180-T182 PolarHBondContact O-N 2.93Å; D180-F209 PolarHBondContact N-O 3.06Å; D180-F209 CarbonylContact O-C 3.52Å; D180-F209 VanDerWaalsContact O-O 3.13Å; D180-G210 VanDerWaalsContact O-CA 3.24Å; D180-G210 WeakPolarHBondContact O-CA 3.5Å; D180-G210 PolarHBondContact O-N 3.01Å; D180-N236 HydrophobicContact CB-CB 4.41Å; D180-G242 PolarHBondContact OD1-N 3.38Å; D180-H276 IonicContact OD2-CD2 3.32Å; D180-H276 PolarHBondContact OD2-CD2 2.95Å; D180-H276 IonicContact OD2-NE2 3.49Å; D180-Y309 VanDerWaalsContact OD1-CE1 3.32Å; D180-Y309 WeakPolarHBondContact OD1-CE1 3.38Å; D180-Y309 PolarHBondContact OD1-OH 2.95Å; D180-Y309 PolarHBondContact OD2-OH 3.19Å | ||
| 181 | K | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -55.8 | 136.7 | 175.5 | -61.8 | -175.3 | -175.7 | -60.8 | 0 | 110 | V183 Y186 T187 D245 I286 S304 M307 Y309 | K181-V183 HydrophobicContact CB-CG2 4.07Å; K181-V183 PolarHBondContact O-N 3.47Å; K181-Y186 HydrophobicContact CB-CD2 3.9Å; K181-Y186 HydrophobicContact CB-CE2 4.39Å; K181-Y186 HydrophobicContact CD-CE2 4.32Å; K181-T187 WeakPolarHBondContact O-CB 3.47Å; K181-T187 PolarHBondContact O-OG1 2.6Å; K181-D245 IonicContact NZ-OD2 2.72Å; K181-D245 PolarHBondContact NZ-OD2 3.5Å; K181-I286 HydrophobicContact CD-CD1 3.75Å; K181-S304 WeakPolarHBondContact CD-O 3.22Å; K181-S304 WeakPolarHBondContact CG-O 3.41Å; K181-S304 PolarHBondContact NZ-O 3.46Å; K181-M307 PolarHBondContact NZ-O 3.35Å; K181-Y309 HydrophobicContact CD-CD2 4.44Å; K181-Y309 HydrophobicContact CD-CE1 3.91Å; K181-Y309 HydrophobicContact CD-CE2 3.77Å; K181-Y309 VanDerWaalsContact CD-CZ 3.48Å; K181-Y309 VanDerWaalsContact CE-CE1 3.46Å; K181-Y309 HydrophobicContact CG-CE1 3.84Å; K181-Y309 HydrophobicContact CG-CE2 4.49Å; K181-Y309 WeakPolarHBondContact CG-OH 3.22Å | ||
| 182 | T | 95.5 | Very high | 94.6 | Very high | 33 Ų | 33 | 37 Ų | 37 | 20% | 0.202 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -88.8 | 38.6 | -170.2 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | D180 A208 N305 | D180-T182 PolarHBondContact O-N 2.93Å; T182-A208 VanDerWaalsContact CG2-C 3.46Å; T182-A208 HydrophobicContact CG2-CB 3.97Å; T182-A208 WeakPolarHBondContact CG2-O 3.16Å; T182-N305 PolarHBondContact N-OD1 3.37Å; T182-N305 PolarHBondContact OG1-ND2 2.83Å; T182-N305 PolarHBondContact OG1-OD1 3.22Å |
| 183 | V | 95.6 | Very high | 94.4 | Very high | 31 Ų | 31 | 37.6 Ų | 37.6 | 19% | 0.188 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -131.4 | 157.1 | -176.9 | -66.6 | 0 | 0 | 0 | 0 | 110.1 | K181 Y186 T187 A284 I286 N305 | K181-V183 HydrophobicContact CB-CG2 4.07Å; K181-V183 PolarHBondContact O-N 3.47Å; V183-Y186 HydrophobicContact CG2-CD2 3.9Å; V183-Y186 HydrophobicContact CG2-CE2 4.04Å; V183-Y186 PolarHBondContact O-N 2.63Å; V183-T187 CarbonylContact C-O 3.58Å; V183-T187 PolarHBondContact O-N 3.36Å; V183-A284 HydrophobicContact CB-CB 4.43Å; V183-A284 HydrophobicContact CG2-CB 3.59Å; V183-I286 HydrophobicContact CG2-CD1 4.14Å; V183-N305 HydrophobicContact CG1-CB 3.97Å |
| 184 | L | 94.6 | Very high | 94.2 | Very high | 89 Ų | 89 | 40 Ų | 40 | 47% | 0.466 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 143.9 | 172.1 | -77.2 | 170.2 | 0 | 0 | 0 | 110.2 | T187 T189 L237 A284 | L184-T187 WeakPolarHBondContact CD2-O 3.17Å; L184-T189 HydrophobicContact CB-CG2 4.5Å; L184-T189 WeakPolarHBondContact CD1-OG1 3.32Å; L184-T189 HydrophobicContact CG-CG2 3.93Å; L184-L237 HydrophobicContact CD2-CD2 4.43Å; L184-A284 VanDerWaalsContact O-CA 3.31Å; L184-A284 WeakPolarHBondContact O-CA 3.41Å; L184-A284 WeakPolarHBondContact O-CB 3.2Å |
| 185 | P | 95 | Very high | 94.1 | Very high | 52 Ų | 52 | 47 Ų | 47 | 34% | 0.338 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -87.5 | -2.8 | 7.2 | 34.8 | -36.3 | 0 | 0 | 0 | 115.8 | L283 | P185-L283 HydrophobicContact CG-CB 3.98Š|
| 186 | Y | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -40.5 | -169.9 | -34.7 | -68.8 | 0 | 0 | 0 | 113.5 | K181 V183 L237 D238 H276 D280 G281 A284 | K181-Y186 HydrophobicContact CB-CD2 3.9Å; K181-Y186 HydrophobicContact CB-CE2 4.39Å; K181-Y186 HydrophobicContact CD-CE2 4.32Å; V183-Y186 HydrophobicContact CG2-CD2 3.9Å; V183-Y186 HydrophobicContact CG2-CE2 4.04Å; V183-Y186 PolarHBondContact O-N 2.63Å; Y186-L237 WeakPolarHBondContact O-CA 3.26Å; Y186-L237 VanDerWaalsContact O-CB 3.27Å; Y186-L237 WeakPolarHBondContact O-CB 3.4Å; Y186-L237 PolarHBondContact O-N 3.48Å; Y186-D238 VanDerWaalsContact CA-OD1 3.26Å; Y186-D238 WeakPolarHBondContact CA-OD1 3.33Å; Y186-H276 AromaticContact CD1-NE2 3.64Å; Y186-D280 VanDerWaalsContact OH-C 3.24Å; Y186-D280 PolarHBondContact OH-O 3.39Å; Y186-G281 WeakPolarHBondContact OH-CA 3.41Å; Y186-G281 PolarHBondContact OH-N 3Å; Y186-A284 HydrophobicContact CD2-CB 4.28Å; Y186-A284 HydrophobicContact CE2-CB 3.38Å |
| 187 | T | 93.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -122.7 | 142.3 | 177.6 | -60.6 | 0 | 0 | 0 | 0 | 110.7 | K181 V183 L184 T189 L194 A208 | K181-T187 WeakPolarHBondContact O-CB 3.47Å; K181-T187 PolarHBondContact O-OG1 2.6Å; V183-T187 CarbonylContact C-O 3.58Å; V183-T187 PolarHBondContact O-N 3.36Å; L184-T187 WeakPolarHBondContact CD2-O 3.17Å; T187-T189 PolarHBondContact O-N 3.48Å; T187-L194 HydrophobicContact CG2-CD2 3.81Å; T187-A208 HydrophobicContact CG2-CB 3.56Å |
| 188 | N | 92.4 | Very high | 93.3 | Very high | 63 Ų | 63 | 52 Ų | 52 | 34% | 0.337 | 26% | 0.263 | S | S | . | . | trans | -67.6 | 113.1 | 173 | -171.7 | -27.5 | 0 | 0 | 0 | 111 | N190 K193 L194 | N188-N190 VanDerWaalsContact C-N 3.31Å; N188-N190 PolarHBondContact O-N 2.88Å; N188-N190 VanDerWaalsContact OD1-CB 3.3Å; N188-N190 WeakPolarHBondContact OD1-CB 3.19Å; N188-N190 PolarHBondContact OD1-N 3.48Å; N188-K193 HydrophobicContact CB-CB 4.05Å; N188-L194 WeakPolarHBondContact O-CD2 3.42Å; N188-L194 WeakPolarHBondContact O-CG 3.49Å | ||
| 189 | T | 93 | Very high | 92.7 | Very high | 61 Ų | 61 | 56.3 Ų | 56.3 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | trans | -83.6 | 5 | -175.1 | 53.7 | 0 | 0 | 0 | 0 | 114.9 | L184 T187 E191 L194 | L184-T189 HydrophobicContact CB-CG2 4.5Å; L184-T189 WeakPolarHBondContact CD1-OG1 3.32Å; L184-T189 HydrophobicContact CG-CG2 3.93Å; T187-T189 PolarHBondContact O-N 3.48Å; T189-E191 PolarHBondContact O-N 3.45Å; T189-L194 WeakPolarHBondContact O-CD1 3.48Å | ||
| 190 | N | 93.1 | Very high | 91.9 | Very high | 87 Ų | 87 | 65 Ų | 65 | 47% | 0.465 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -60.7 | 130.5 | 168.7 | -177.8 | -41.5 | 0 | 0 | 0 | 109.3 | N188 E192 K193 L194 | N188-N190 VanDerWaalsContact C-N 3.31Å; N188-N190 PolarHBondContact O-N 2.88Å; N188-N190 VanDerWaalsContact OD1-CB 3.3Å; N188-N190 WeakPolarHBondContact OD1-CB 3.19Å; N188-N190 PolarHBondContact OD1-N 3.48Å; N190-E192 PolarHBondContact O-N 3.04Å; N190-E192 VanDerWaalsContact O-N 3.12Å; N190-E192 PolarHBondContact OD1-N 3.27Å; N190-E192 VanDerWaalsContact OD1-N 3.09Å; N190-K193 HydrophobicContact CB-CB 4.27Å; N190-K193 HydrophobicContact CB-CG 4.48Å; N190-K193 CarbonylContact O-C 3.59Å; N190-K193 WeakPolarHBondContact O-CA 3.36Å; N190-K193 PolarHBondContact O-N 3.17Å; N190-L194 PolarHBondContact O-N 3.07Å |
| 191 | E | 91.6 | Very high | 91.2 | Very high | 143 Ų | 143 | 69.9 Ų | 69.9 | 67% | 0.668 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -52.8 | -37.1 | -175.2 | -69.4 | -170.4 | -175.6 | 0 | 0 | 114.1 | T189 K195 | T189-E191 PolarHBondContact O-N 3.45Å; E191-K195 WeakPolarHBondContact O-CG 3.45Å; E191-K195 PolarHBondContact O-N 2.97Å |
| 192 | E | 90.3 | Very high | 90.6 | Very high | 156 Ų | 156 | 71.2 Ų | 71.2 | 73% | 0.729 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -69.1 | -39.4 | 177.5 | -65.6 | -170.1 | 158.7 | 0 | 0 | 111.4 | N190 K195 K196 | N190-E192 PolarHBondContact O-N 3.04Å; N190-E192 VanDerWaalsContact O-N 3.12Å; N190-E192 PolarHBondContact OD1-N 3.27Å; N190-E192 VanDerWaalsContact OD1-N 3.09Å; E192-K195 PolarHBondContact O-N 2.9Å; E192-K196 PolarHBondContact O-N 2.95Å |
| 193 | K | 89.1 | Confident | 89.7 | Confident | 71 Ų | 71 | 74 Ų | 74 | 31% | 0.309 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -77.2 | -29.7 | 179.3 | -71.3 | -64.7 | -172.6 | 176.2 | 0 | 113.3 | N188 N190 K195 K196 P197 | N188-K193 HydrophobicContact CB-CB 4.05Å; N190-K193 HydrophobicContact CB-CB 4.27Å; N190-K193 HydrophobicContact CB-CG 4.48Å; N190-K193 CarbonylContact O-C 3.59Å; N190-K193 WeakPolarHBondContact O-CA 3.36Å; N190-K193 PolarHBondContact O-N 3.17Å; K193-K195 VanDerWaalsContact C-N 3.34Å; K193-K196 CarbonylContact O-C 3.51Å; K193-K196 PolarHBondContact O-N 2.99Å; K193-P197 WeakPolarHBondContact O-CA 3.49Å; K193-P197 WeakPolarHBondContact O-CB 3.39Å; K193-P197 WeakPolarHBondContact O-CD 3.11Å |
| 194 | L | 89.6 | Confident | 89.2 | Confident | 49 Ų | 49 | 77.8 Ų | 77.8 | 26% | 0.257 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 170.2 | -75 | 175 | 0 | 0 | 0 | 111.6 | T187 N188 T189 N190 A207 A208 | T187-L194 HydrophobicContact CG2-CD2 3.81Å; N188-L194 WeakPolarHBondContact O-CD2 3.42Å; N188-L194 WeakPolarHBondContact O-CG 3.49Å; T189-L194 WeakPolarHBondContact O-CD1 3.48Å; N190-L194 PolarHBondContact O-N 3.07Å; L194-A207 VanDerWaalsContact O-CA 3.24Å; L194-A207 WeakPolarHBondContact O-CA 3.4Å; L194-A207 VanDerWaalsContact O-CB 3.29Å; L194-A207 WeakPolarHBondContact O-CB 3.34Å; L194-A208 PolarHBondContact O-N 3.49Å |
| 195 | K | 91.6 | Very high | 89 | Confident | 148 Ų | 148 | 74.8 Ų | 74.8 | 64% | 0.643 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -73 | -34.2 | 176.6 | -70.2 | 172.8 | -172.5 | 165.1 | 0 | 112.4 | E191 E192 K193 A207 | E191-K195 WeakPolarHBondContact O-CG 3.45Å; E191-K195 PolarHBondContact O-N 2.97Å; E192-K195 PolarHBondContact O-N 2.9Å; K193-K195 VanDerWaalsContact C-N 3.34Å; K195-A207 WeakPolarHBondContact O-CA 3.22Å; K195-A207 PolarHBondContact O-N 2.68Å |
| 196 | K | 91.9 | Very high | 88.9 | Confident | 74 Ų | 74 | 73.6 Ų | 73.6 | 32% | 0.322 | 39% | 0.385 | S | S | . | . | trans | -144.5 | 89.2 | 179.2 | -169.9 | -176.1 | 176.4 | -176.6 | 0 | 110.6 | E192 K193 E202 C205 | E192-K196 PolarHBondContact O-N 2.95Å; K193-K196 CarbonylContact O-C 3.51Å; K193-K196 PolarHBondContact O-N 2.99Å; K196-E202 WeakPolarHBondContact CE-O 3.29Å; K196-E202 PolarHBondContact NZ-O 3.41Å; K196-C205 HydrophobicContact CG-CB 4Å | ||
| 197 | P | 91.6 | Very high | 88.8 | Confident | 25 Ų | 25 | 75.6 Ų | 75.6 | 16% | 0.162 | 40% | 0.402 | C | S | . | . | trans | -72.1 | -30.5 | -177.1 | 24.1 | -32.7 | 0 | 0 | 0 | 113.1 | K193 Q206 A208 S234 G235 | K193-P197 WeakPolarHBondContact O-CA 3.49Å; K193-P197 WeakPolarHBondContact O-CB 3.39Å; K193-P197 WeakPolarHBondContact O-CD 3.11Å; P197-Q206 WeakPolarHBondContact CD-O 3.28Å; P197-Q206 WeakPolarHBondContact CG-O 3.22Å; P197-A208 HydrophobicContact CG-CB 4.38Å; P197-S234 WeakPolarHBondContact CG-OG 3.49Å; P197-G235 VanDerWaalsContact CB-O 3.24Å; P197-G235 WeakPolarHBondContact CB-O 3.23Å | ||
| 198 | C | 89.3 | Confident | 88.8 | Confident | 6 Ų | 6 | 76.3 Ų | 76.3 | 4% | 0.041 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -64.8 | 166.1 | -179.2 | -42 | 0 | 0 | 0 | 0 | 113.2 | Y144 E202 C205 | Y144-C198 HydrophobicContact CD2-CB 4.12Å; Y144-C198 HydrophobicContact CE2-CB 4.22Å; C198-E202 HydrophobicContact CB-CB 3.89Å; C198-E202 HydrophobicContact CB-CG 4.1Å; C198-C205 HydrophobicContact CB-CB 3.6Å; C198-C205 WeakPolarHBondContact CB-SG 3.48Å; C198-C205 PolarHBondContact N-SG 3.16Å; C198-C205 WeakPolarHBondContact SG-CB 3.36Å; C198-C205 CovalentContact SG-SG 2.03Å; C198-C205 PolarHBondContact SG-SG 3.5Å |
| 199 | D | 84.1 | Confident | 88.9 | Confident | 90 Ų | 90 | 73.8 Ų | 73.8 | 48% | 0.481 | 39% | 0.394 | S | S | . | . | trans | -60.5 | 156 | 174.4 | -73.1 | -27.5 | 0 | 0 | 0 | 112.8 | S201 E202 | D199-S201 PolarHBondContact O-N 2.96Å; D199-E202 WeakPolarHBondContact O-CB 3.47Å; D199-E202 PolarHBondContact O-N 3.34Å | ||
| 200 | E | 79.9 | Confident | 89.1 | Confident | 184 Ų | 184 | 71.3 Ų | 71.3 | 86% | 0.86 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -31.2 | 179.3 | -69.9 | -172.8 | 173.5 | 0 | 0 | 112.8 | E202 | E200-E202 PolarHBondContact O-N 2.88Š|
| 201 | S | 81.9 | Confident | 89.3 | Confident | 104 Ų | 104 | 67.2 Ų | 67.2 | 73% | 0.727 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -20.5 | 176.6 | 58 | 0 | 0 | 0 | 0 | 113.3 | D199 A203 | D199-S201 PolarHBondContact O-N 2.96Å; S201-A203 PolarHBondContact O-N 3.27Å |
| 202 | E | 83.7 | Confident | 89.6 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 13% | 0.131 | 34% | 0.338 | C | S | . | . | trans | -86.7 | 111.4 | 177.4 | -171.5 | 53.9 | -105 | 0 | 0 | 110.2 | Y144 K147 K196 C198 D199 E200 Q204 C205 | Y144-E202 HydrophobicContact CE2-CB 4.48Å; Y144-E202 HydrophobicContact CE2-CG 4.47Å; K147-E202 WeakPolarHBondContact CE-OE2 3.41Å; K147-E202 IonicContact NZ-OE2 3.48Å; K147-E202 PolarHBondContact NZ-OE2 2.95Å; K196-E202 WeakPolarHBondContact CE-O 3.29Å; K196-E202 PolarHBondContact NZ-O 3.41Å; C198-E202 HydrophobicContact CB-CB 3.89Å; C198-E202 HydrophobicContact CB-CG 4.1Å; D199-E202 WeakPolarHBondContact O-CB 3.47Å; D199-E202 PolarHBondContact O-N 3.34Å; E200-E202 PolarHBondContact O-N 2.88Å; E202-Q204 PolarHBondContact OE1-N 3.4Å; E202-C205 HydrophobicContact CG-CB 4.36Å | ||
| 203 | A | 78.1 | Confident | 89.9 | Confident | 91 Ų | 91 | 56 Ų | 56 | 75% | 0.752 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -76.6 | -31.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | S201 | S201-A203 PolarHBondContact O-N 3.27Š|
| 204 | Q | 84.7 | Confident | 90.3 | Very high | 110 Ų | 110 | 53.9 Ų | 53.9 | 51% | 0.514 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -114.8 | 89.2 | -173.1 | -69.5 | -175.8 | -24.2 | 0 | 0 | 110.7 | E202 Y232 | E202-Q204 PolarHBondContact OE1-N 3.4Å; Q204-Y232 HydrophobicContact CB-CD1 3.63Å; Q204-Y232 HydrophobicContact CB-CE1 3.99Å; Q204-Y232 HydrophobicContact CB-CG 4.26Å; Q204-Y232 HydrophobicContact CG-CD1 4.19Å; Q204-Y232 HydrophobicContact CG-CE1 4.02Å; Q204-Y232 VanDerWaalsContact OE1-CE1 3.27Å |
| 205 | C | 90.1 | Very high | 90.5 | Very high | 26 Ų | 26 | 52.4 Ų | 52.4 | 18% | 0.176 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -132.2 | 135.7 | -178.8 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | K196 C198 E202 I233 | K196-C205 HydrophobicContact CG-CB 4Å; C198-C205 HydrophobicContact CB-CB 3.6Å; C198-C205 WeakPolarHBondContact CB-SG 3.48Å; C198-C205 PolarHBondContact N-SG 3.16Å; C198-C205 WeakPolarHBondContact SG-CB 3.36Å; C198-C205 CovalentContact SG-SG 2.03Å; C198-C205 PolarHBondContact SG-SG 3.5Å; E202-C205 HydrophobicContact CG-CB 4.36Å; C205-I233 CarbonylContact C-O 3.49Å; C205-I233 VanDerWaalsContact CA-O 3.31Å; C205-I233 WeakPolarHBondContact CA-O 3.48Å |
| 206 | Q | 93.1 | Very high | 90.8 | Very high | 27 Ų | 27 | 48.1 Ų | 48.1 | 13% | 0.126 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 148.2 | 174 | -50.2 | -167.6 | -12.5 | 0 | 0 | 110.8 | P197 Y232 I233 S234 | P197-Q206 WeakPolarHBondContact CD-O 3.28Å; P197-Q206 WeakPolarHBondContact CG-O 3.22Å; Q206-Y232 HydrophobicContact CG-CD2 4.44Å; Q206-Y232 WeakPolarHBondContact CG-O 3.33Å; Q206-I233 PolarHBondContact N-O 3.31Å; Q206-S234 WeakPolarHBondContact O-CB 3.38Å; Q206-S234 PolarHBondContact O-OG 3.35Å |
| 207 | A | 92.9 | Very high | 90.9 | Very high | 43 Ų | 43 | 45.6 Ų | 45.6 | 36% | 0.355 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 147.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111 | L194 K195 F209 S234 | L194-A207 VanDerWaalsContact O-CA 3.24Å; L194-A207 WeakPolarHBondContact O-CA 3.4Å; L194-A207 VanDerWaalsContact O-CB 3.29Å; L194-A207 WeakPolarHBondContact O-CB 3.34Å; K195-A207 WeakPolarHBondContact O-CA 3.22Å; K195-A207 PolarHBondContact O-N 2.68Å; A207-F209 WeakPolarHBondContact O-CD1 3.37Å; A207-S234 PolarHBondContact O-OG 2.81Å |
| 208 | A | 92.5 | Very high | 91 | Very high | 16 Ų | 16 | 45.4 Ų | 45.4 | 13% | 0.132 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 144.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T182 T187 L194 P197 | T182-A208 VanDerWaalsContact CG2-C 3.46Å; T182-A208 HydrophobicContact CG2-CB 3.97Å; T182-A208 WeakPolarHBondContact CG2-O 3.16Å; T187-A208 HydrophobicContact CG2-CB 3.56Å; L194-A208 PolarHBondContact O-N 3.49Å; P197-A208 HydrophobicContact CG-CB 4.38Å |
| 209 | F | 95.6 | Very high | 91.1 | Very high | 11 Ų | 11 | 49.1 Ų | 49.1 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | trans | -157.7 | 152.2 | -179.8 | 65.6 | -80.9 | 0 | 0 | 0 | 110.8 | L142 A177 V179 D180 A207 R212 L300 | L142-F209 HydrophobicContact CB-CZ 4.49Å; L142-F209 HydrophobicContact CD1-CZ 4.22Å; A177-F209 HydrophobicContact CB-CE2 4.05Å; A177-F209 HydrophobicContact CB-CZ 3.94Å; V179-F209 WeakPolarHBondContact CB-O 3.39Å; V179-F209 HydrophobicContact CG2-CD1 4.45Å; V179-F209 HydrophobicContact CG2-CE1 3.95Å; V179-F209 HydrophobicContact CG2-CZ 4.05Å; D180-F209 PolarHBondContact N-O 3.06Å; D180-F209 CarbonylContact O-C 3.52Å; D180-F209 VanDerWaalsContact O-O 3.13Å; A207-F209 WeakPolarHBondContact O-CD1 3.37Å; F209-R212 HydrophobicContact CD2-CB 3.82Å; F209-R212 HydrophobicContact CE2-CB 3.71Å; F209-L300 HydrophobicContact CB-CD2 4.48Å | ||
| 210 | G | 95.9 | Very high | 91.4 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 9% | 0.093 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -72.4 | -78.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F178 V179 D180 | F178-G210 WeakPolarHBondContact CA-O 3.48Å; F178-G210 WeakPolarHBondContact CB-O 3.26Å; V179-G210 PolarHBondContact N-O 2.97Å; D180-G210 VanDerWaalsContact O-CA 3.24Å; D180-G210 WeakPolarHBondContact O-CA 3.5Å; D180-G210 PolarHBondContact O-N 3.01Å |
| 211 | Y | 98 | Very high | 91.8 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 139.1 | 177.2 | 168.9 | -113.3 | 0 | 0 | 0 | 111.7 | Y137 L139 A177 F178 H213 A246 Q249 M296 Y301 | Y137-Y211 PolarHBondContact OH-OH 2.9Å; L139-Y211 HydrophobicContact CD1-CD2 4.06Å; L139-Y211 HydrophobicContact CD1-CE2 3.56Å; A177-Y211 VanDerWaalsContact O-CD2 3.28Å; A177-Y211 WeakPolarHBondContact O-CD2 3.33Å; F178-Y211 HydrophobicContact CB-CD2 4.5Å; Y211-H213 HydrophobicContact CE1-CB 4.42Å; Y211-A246 HydrophobicContact CD2-CB 3.4Å; Y211-A246 HydrophobicContact CE2-CB 4.06Å; Y211-A246 HydrophobicContact CG-CB 3.89Å; Y211-Q249 HydrophobicContact CD1-CB 3.73Å; Y211-Q249 HydrophobicContact CD1-CG 4.29Å; Y211-Q249 HydrophobicContact CE1-CB 3.74Å; Y211-M296 HydrophobicContact CE1-CE 3.98Å; Y211-M296 HydrophobicContact CE1-CG 4.46Å; Y211-M296 HydrophobicContact CE1-SD 3.91Å; Y211-Y301 PolarHBondContact O-N 3.21Å |
| 212 | R | 97.2 | Very high | 92.2 | Very high | 60 Ų | 60 | 41.4 Ų | 41.4 | 23% | 0.226 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 122.7 | 174.2 | -170.9 | -179.4 | -63.4 | 148.8 | 7.4 | 111 | G176 A177 F209 V214 N299 L300 | G176-R212 WeakPolarHBondContact CA-O 3.32Å; A177-R212 PolarHBondContact N-O 3.06Å; A177-R212 PolarHBondContact O-N 3.07Å; F209-R212 HydrophobicContact CD2-CB 3.82Å; F209-R212 HydrophobicContact CE2-CB 3.71Å; R212-V214 HydrophobicContact CG-CG2 4.43Å; R212-N299 CarbonylContact C-O 3.53Å; R212-N299 WeakPolarHBondContact CA-O 3.26Å; R212-L300 HydrophobicContact CB-CD2 3.88Å; R212-L300 HydrophobicContact CG-CD2 3.89Å; R212-L300 HydrophobicContact CG-CG 4.49Å |
| 213 | H | 97.7 | Very high | 92.5 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.019 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 127.7 | 163.7 | 177.3 | 55.6 | 0 | 0 | 0 | 109.7 | Y137 Y211 L215 S216 K256 M296 N299 | Y137-H213 AromaticContact CE2-CE1 3.92Å; Y137-H213 AromaticContact CE2-ND1 3.74Å; Y137-H213 AromaticContact CZ-ND1 3.69Å; Y137-H213 PolarHBondContact OH-ND1 3.07Å; Y211-H213 HydrophobicContact CE1-CB 4.42Å; H213-L215 PolarHBondContact CE1-O 3.12Å; H213-S216 VanDerWaalsContact CE1-CA 3.49Å; H213-S216 WeakPolarHBondContact CE1-CA 3.39Å; H213-S216 PolarHBondContact CE1-N 3Å; H213-S216 VanDerWaalsContact CE1-N 3.29Å; H213-S216 PolarHBondContact NE2-N 3Å; H213-S216 PolarHBondContact NE2-OG 3.38Å; H213-K256 PolarHBondContact NE2-O 3.07Å; H213-M296 HydrophobicContact CB-CE 4.5Å; H213-M296 HydrophobicContact CB-SD 3.44Å; H213-M296 WeakPolarHBondContact CB-SD 3.47Å; H213-N299 HydrophobicContact CB-CB 4.12Å; H213-N299 PolarHBondContact N-O 3.2Å; H213-N299 WeakPolarHBondContact O-CB 3.45Å |
| 214 | V | 96.1 | Very high | 93.1 | Very high | 25 Ų | 25 | 38.4 Ų | 38.4 | 15% | 0.152 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -42.9 | -175.6 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | F175 A177 R212 K227 Q231 | F175-V214 HydrophobicContact CD1-CB 3.76Å; F175-V214 HydrophobicContact CD1-CG1 4.08Å; F175-V214 HydrophobicContact CD1-CG2 3.84Å; F175-V214 HydrophobicContact CE1-CG2 4.23Å; F175-V214 WeakPolarHBondContact O-CB 3.45Å; F175-V214 PolarHBondContact O-N 2.93Å; A177-V214 HydrophobicContact CB-CG2 4.39Å; R212-V214 HydrophobicContact CG-CG2 4.43Å; V214-K227 HydrophobicContact CG1-CB 4.3Å; V214-Q231 VanDerWaalsContact CG1-NE2 3.33Å |
| 215 | L | 95.6 | Very high | 93.3 | Very high | 19 Ų | 19 | 38.5 Ų | 38.5 | 10% | 0.099 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 118.4 | -174.4 | 176.4 | 59.6 | 0 | 0 | 0 | 110.8 | G174 F175 H213 T218 V223 F224 K227 | G174-L215 VanDerWaalsContact CA-O 3.29Å; G174-L215 WeakPolarHBondContact CA-O 3.14Å; F175-L215 HydrophobicContact CB-CB 4.08Å; F175-L215 PolarHBondContact N-O 3.41Å; F175-L215 PolarHBondContact O-N 3.35Å; H213-L215 PolarHBondContact CE1-O 3.12Å; L215-T218 HydrophobicContact CD1-CG2 4.1Å; L215-T218 HydrophobicContact CD2-CG2 3.87Å; L215-T218 HydrophobicContact CG-CG2 4.15Å; L215-V223 HydrophobicContact CD1-CG1 3.82Å; L215-V223 HydrophobicContact CD2-CG1 4.36Å; L215-F224 HydrophobicContact CD2-CB 4.03Å; L215-F224 HydrophobicContact CD2-CD2 3.86Å; L215-F224 HydrophobicContact CD2-CG 4.4Å; L215-K227 HydrophobicContact CB-CB 4.38Å; L215-K227 HydrophobicContact CB-CG 4.45Å; L215-K227 HydrophobicContact CD1-CG 4.33Å; L215-K227 HydrophobicContact CD2-CB 4.14Å; L215-K227 HydrophobicContact CD2-CG 4.29Å |
| 216 | S | 96.8 | Very high | 93.3 | Very high | 58 Ų | 58 | 42.6 Ų | 42.6 | 41% | 0.406 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 156.1 | 168.6 | -44.6 | 0 | 0 | 0 | 0 | 111.2 | H213 T218 K256 I257 | H213-S216 VanDerWaalsContact CE1-CA 3.49Å; H213-S216 WeakPolarHBondContact CE1-CA 3.39Å; H213-S216 PolarHBondContact CE1-N 3Å; H213-S216 VanDerWaalsContact CE1-N 3.29Å; H213-S216 PolarHBondContact NE2-N 3Å; H213-S216 PolarHBondContact NE2-OG 3.38Å; S216-T218 PolarHBondContact O-N 2.98Å; S216-T218 VanDerWaalsContact O-N 3.12Å; S216-K256 PolarHBondContact OG-O 3.45Å; S216-K256 VanDerWaalsContact OG-O 3.13Å; S216-I257 WeakPolarHBondContact CA-O 3.4Å |
| 217 | M | 95.2 | Very high | 93.3 | Very high | 20 Ų | 20 | 44.6 Ų | 44.6 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50 | 117.4 | -178.1 | -71.5 | -62.8 | 177.9 | 0 | 0 | 112.4 | D135 Y137 K172 I173 G174 I257 G258 W259 | D135-M217 HydrophobicContact CB-CE 4.04Å; D135-M217 HydrophobicContact CB-SD 4.18Å; Y137-M217 HydrophobicContact CD2-CE 3.95Å; Y137-M217 HydrophobicContact CG-CE 4.27Å; K172-M217 HydrophobicContact CB-CB 4.15Å; K172-M217 HydrophobicContact CB-SD 4.39Å; K172-M217 HydrophobicContact CD-CB 4.21Å; I173-M217 WeakPolarHBondContact O-CA 3.49Å; G174-M217 PolarHBondContact N-SD 3.36Å; M217-I257 HydrophobicContact CE-CG2 3.92Å; M217-I257 HydrophobicContact CG-CG2 4.46Å; M217-I257 WeakPolarHBondContact CG-O 3.47Å; M217-I257 PolarHBondContact N-O 2.87Å; M217-G258 WeakPolarHBondContact CB-O 3.44Å; M217-G258 WeakPolarHBondContact CG-O 3.45Å; M217-W259 HydrophobicContact CE-CD2 4.01Å; M217-W259 HydrophobicContact CE-CE3 3.46Å; M217-W259 VanDerWaalsContact CE-CE3 3.46Å; M217-W259 HydrophobicContact CE-CH2 3.51Å; M217-W259 HydrophobicContact CE-CZ2 4.04Å; M217-W259 HydrophobicContact CE-CZ3 3.19Å |
| 218 | T | 93.4 | Very high | 93.1 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 14% | 0.135 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 143.1 | -179.4 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | K172 I173 L215 S216 S220 V223 | K172-T218 WeakPolarHBondContact CA-O 3.46Å; I173-T218 HydrophobicContact CG2-CG2 4.47Å; I173-T218 PolarHBondContact N-O 2.94Å; I173-T218 WeakPolarHBondContact O-CG2 3.43Å; I173-T218 PolarHBondContact O-N 2.94Å; L215-T218 HydrophobicContact CD1-CG2 4.1Å; L215-T218 HydrophobicContact CD2-CG2 3.87Å; L215-T218 HydrophobicContact CG-CG2 4.15Å; S216-T218 PolarHBondContact O-N 2.98Å; S216-T218 VanDerWaalsContact O-N 3.12Å; T218-S220 PolarHBondContact OG1-N 2.91Å; T218-S220 VanDerWaalsContact OG1-N 3.11Å; T218-V223 HydrophobicContact CG2-CB 4.49Å; T218-V223 HydrophobicContact CG2-CG1 4.43Å |
| 219 | P | 91.4 | Very high | 92.9 | Very high | 84 Ų | 84 | 44.1 Ų | 44.1 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -80.3 | -1.4 | 168.7 | 34.8 | -35.8 | 0 | 0 | 0 | 112.4 | F161 | F161-P219 WeakPolarHBondContact CZ-O 3.43Š|
| 220 | S | 90.7 | Very high | 92.7 | Very high | 40 Ų | 40 | 47.3 Ų | 47.3 | 28% | 0.28 | 25% | 0.248 | S | C | . | . | trans | -93.3 | 112.1 | -175.3 | -178.4 | 0 | 0 | 0 | 0 | 112.6 | T218 D222 V223 F224 | T218-S220 PolarHBondContact OG1-N 2.91Å; T218-S220 VanDerWaalsContact OG1-N 3.11Å; S220-D222 VanDerWaalsContact C-N 3.3Å; S220-D222 PolarHBondContact O-N 3.37Å; S220-V223 PolarHBondContact O-N 2.86Å; S220-V223 WeakPolarHBondContact OG-CG2 3.49Å; S220-V223 PolarHBondContact OG-N 2.9Å; S220-F224 PolarHBondContact O-N 2.98Å | ||
| 221 | R | 87.7 | Confident | 92.5 | Very high | 86 Ų | 86 | 47.5 Ų | 47.5 | 33% | 0.325 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -53.4 | -44.6 | 170 | 179.2 | 178.9 | 158 | 161.8 | 1.3 | 112.9 | F161 D162 F224 R225 | F161-R221 HydrophobicContact CB-CB 4.25Å; F161-R221 HydrophobicContact CB-CG 4Å; F161-R221 HydrophobicContact CD1-CB 3.58Å; F161-R221 HydrophobicContact CD1-CG 4.03Å; F161-R221 HydrophobicContact CD2-CB 4.32Å; F161-R221 HydrophobicContact CE1-CB 3.94Å; F161-R221 HydrophobicContact CG-CB 3.79Å; F161-R221 HydrophobicContact CG-CG 4.09Å; F161-R221 HydrophobicContact CZ-CB 4.48Å; D162-R221 IonicContact OD1-CZ 3.31Å; D162-R221 IonicContact OD1-NH1 3.48Å; D162-R221 PolarHBondContact OD1-NH1 2.79Å; D162-R221 IonicContact OD2-CZ 2.75Å; D162-R221 IonicContact OD2-NH1 3.4Å; D162-R221 PolarHBondContact OD2-NH1 2.93Å; D162-R221 IonicContact OD2-NH2 2.74Å; R221-F224 PolarHBondContact O-N 3.08Å; R221-R225 PolarHBondContact O-N 3.48Å |
| 222 | D | 89.3 | Confident | 92.3 | Very high | 89 Ų | 89 | 51.8 Ų | 51.8 | 48% | 0.476 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.8 | -39.3 | -174.1 | -71.4 | -51.7 | 0 | 0 | 0 | 111.9 | S220 R225 Q226 | S220-D222 VanDerWaalsContact C-N 3.3Å; S220-D222 PolarHBondContact O-N 3.37Å; D222-R225 PolarHBondContact O-N 2.78Å; D222-R225 IonicContact OD1-CZ 3.48Å; D222-R225 VanDerWaalsContact OD1-CZ 3.31Å; D222-R225 IonicContact OD1-NH1 3.35Å; D222-R225 PolarHBondContact OD1-NH1 2.78Å; D222-R225 IonicContact OD1-NH2 2.74Å; D222-R225 PolarHBondContact OD1-NH2 3.04Å; D222-Q226 WeakPolarHBondContact O-CB 3.08Å; D222-Q226 PolarHBondContact O-N 3.29Å |
| 223 | V | 91.6 | Very high | 92 | Very high | 56 Ų | 56 | 49.2 Ų | 49.2 | 34% | 0.339 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 175.6 | 176 | 0 | 0 | 0 | 0 | 110.6 | L215 T218 S220 Q226 K227 | L215-V223 HydrophobicContact CD1-CG1 3.82Å; L215-V223 HydrophobicContact CD2-CG1 4.36Å; T218-V223 HydrophobicContact CG2-CB 4.49Å; T218-V223 HydrophobicContact CG2-CG1 4.43Å; S220-V223 PolarHBondContact O-N 2.86Å; S220-V223 WeakPolarHBondContact OG-CG2 3.49Å; S220-V223 PolarHBondContact OG-N 2.9Å; V223-Q226 PolarHBondContact O-N 3.41Å; V223-K227 HydrophobicContact CG1-CG 4.49Å; V223-K227 WeakPolarHBondContact O-CB 3.2Å; V223-K227 WeakPolarHBondContact O-CG 3.29Å; V223-K227 PolarHBondContact O-N 3.1Å |
| 224 | F | 89.8 | Confident | 91.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.8 | -51.9 | 175.5 | -179.3 | -97.3 | 0 | 0 | 0 | 111.7 | G157 L160 I173 F175 L215 S220 R221 Q226 K227 V228 | G157-F224 WeakPolarHBondContact O-CD1 3.43Å; L160-F224 HydrophobicContact CD2-CE1 3.98Å; L160-F224 HydrophobicContact CD2-CZ 3.79Å; I173-F224 HydrophobicContact CB-CD2 4.32Å; I173-F224 HydrophobicContact CD1-CD1 4.15Å; I173-F224 HydrophobicContact CD1-CD2 3.92Å; I173-F224 HydrophobicContact CD1-CE1 3.84Å; I173-F224 HydrophobicContact CD1-CE2 3.6Å; I173-F224 HydrophobicContact CD1-CG 4.19Å; I173-F224 HydrophobicContact CD1-CZ 3.57Å; I173-F224 HydrophobicContact CG1-CD2 3.83Å; I173-F224 HydrophobicContact CG1-CE2 3.67Å; I173-F224 HydrophobicContact CG1-CG 4.46Å; I173-F224 HydrophobicContact CG1-CZ 4.17Å; I173-F224 HydrophobicContact CG2-CB 3.81Å; I173-F224 HydrophobicContact CG2-CD2 3.64Å; I173-F224 HydrophobicContact CG2-CE2 4.37Å; I173-F224 HydrophobicContact CG2-CG 3.75Å; F175-F224 HydrophobicContact CB-CD2 4.43Å; F175-F224 HydrophobicContact CB-CE2 3.9Å; F175-F224 HydrophobicContact CD2-CE2 4.02Å; F175-F224 HydrophobicContact CD2-CZ 4.15Å; F175-F224 HydrophobicContact CG-CE2 4.41Å; L215-F224 HydrophobicContact CD2-CB 4.03Å; L215-F224 HydrophobicContact CD2-CD2 3.86Å; L215-F224 HydrophobicContact CD2-CG 4.4Å; S220-F224 PolarHBondContact O-N 2.98Å; R221-F224 PolarHBondContact O-N 3.08Å; F224-Q226 VanDerWaalsContact C-N 3.29Å; F224-Q226 PolarHBondContact O-N 3.12Å; F224-K227 PolarHBondContact O-N 3.36Å; F224-V228 HydrophobicContact CD1-CG2 4.2Å; F224-V228 HydrophobicContact CD2-CG2 4.36Å; F224-V228 HydrophobicContact CE1-CG2 3.81Å; F224-V228 HydrophobicContact CE2-CG2 3.98Å; F224-V228 HydrophobicContact CG-CG2 4.45Å; F224-V228 HydrophobicContact CZ-CG2 3.68Å; F224-V228 WeakPolarHBondContact O-CG2 3.43Å; F224-V228 PolarHBondContact O-N 2.98Å |
| 225 | R | 88.8 | Confident | 91.6 | Very high | 112 Ų | 112 | 48 Ų | 48 | 42% | 0.423 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56 | -44.8 | 178.4 | -175.7 | -173 | 65.7 | -144.3 | -15.6 | 111.6 | R221 D222 A229 | R221-R225 PolarHBondContact O-N 3.48Å; D222-R225 PolarHBondContact O-N 2.78Å; D222-R225 IonicContact OD1-CZ 3.48Å; D222-R225 VanDerWaalsContact OD1-CZ 3.31Å; D222-R225 IonicContact OD1-NH1 3.35Å; D222-R225 PolarHBondContact OD1-NH1 2.78Å; D222-R225 IonicContact OD1-NH2 2.74Å; D222-R225 PolarHBondContact OD1-NH2 3.04Å; R225-A229 WeakPolarHBondContact O-CB 3.48Å; R225-A229 PolarHBondContact O-N 2.8Å |
| 226 | Q | 90.8 | Very high | 91.3 | Very high | 112 Ų | 112 | 49 Ų | 49 | 52% | 0.523 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 179.1 | -177.1 | -176.5 | -15 | 0 | 0 | 111.3 | D222 V223 F224 V228 A229 E230 | D222-Q226 WeakPolarHBondContact O-CB 3.08Å; D222-Q226 PolarHBondContact O-N 3.29Å; V223-Q226 PolarHBondContact O-N 3.41Å; F224-Q226 VanDerWaalsContact C-N 3.29Å; F224-Q226 PolarHBondContact O-N 3.12Å; Q226-V228 PolarHBondContact O-N 3.49Å; Q226-A229 WeakPolarHBondContact O-CB 3.1Å; Q226-A229 PolarHBondContact O-N 2.88Å; Q226-E230 WeakPolarHBondContact CG-OE1 3.46Å; Q226-E230 PolarHBondContact NE2-OE1 2.93Å; Q226-E230 WeakPolarHBondContact O-CG 3.49Å; Q226-E230 PolarHBondContact O-N 2.85Å |
| 227 | K | 91.8 | Very high | 91 | Very high | 70 Ų | 70 | 51.3 Ų | 51.3 | 30% | 0.304 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.5 | -34.8 | -177.6 | -73.3 | -63.4 | 174.8 | -162.1 | 0 | 114 | V214 L215 V223 F224 E230 Q231 | V214-K227 HydrophobicContact CG1-CB 4.3Å; L215-K227 HydrophobicContact CB-CB 4.38Å; L215-K227 HydrophobicContact CB-CG 4.45Å; L215-K227 HydrophobicContact CD1-CG 4.33Å; L215-K227 HydrophobicContact CD2-CB 4.14Å; L215-K227 HydrophobicContact CD2-CG 4.29Å; V223-K227 HydrophobicContact CG1-CG 4.49Å; V223-K227 WeakPolarHBondContact O-CB 3.2Å; V223-K227 WeakPolarHBondContact O-CG 3.29Å; V223-K227 PolarHBondContact O-N 3.1Å; F224-K227 PolarHBondContact O-N 3.36Å; K227-E230 WeakPolarHBondContact CD-OE2 3.43Å; K227-E230 IonicContact NZ-OE2 2.88Å; K227-E230 PolarHBondContact NZ-OE2 2.76Å; K227-Q231 WeakPolarHBondContact O-CG 3.46Å; K227-Q231 PolarHBondContact O-NE2 3.06Å |
| 228 | V | 89.3 | Confident | 90.9 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.1 | -40.9 | 172.6 | 174 | 0 | 0 | 0 | 0 | 111.1 | V153 K154 F175 F224 Q226 E230 Q231 | V153-V228 HydrophobicContact CG1-CG1 3.83Å; K154-V228 HydrophobicContact CG-CG1 4.12Å; F175-V228 HydrophobicContact CD2-CG2 3.68Å; F175-V228 HydrophobicContact CE2-CG2 3.9Å; F175-V228 HydrophobicContact CG-CG2 4.11Å; F224-V228 HydrophobicContact CD1-CG2 4.2Å; F224-V228 HydrophobicContact CD2-CG2 4.36Å; F224-V228 HydrophobicContact CE1-CG2 3.81Å; F224-V228 HydrophobicContact CE2-CG2 3.98Å; F224-V228 HydrophobicContact CG-CG2 4.45Å; F224-V228 HydrophobicContact CZ-CG2 3.68Å; F224-V228 WeakPolarHBondContact O-CG2 3.43Å; F224-V228 PolarHBondContact O-N 2.98Å; Q226-V228 PolarHBondContact O-N 3.49Å; V228-E230 PolarHBondContact O-N 2.84Å; V228-Q231 PolarHBondContact O-N 2.83Å; V228-Q231 VanDerWaalsContact O-N 3.13Å |
| 229 | A | 88.6 | Confident | 90.8 | Very high | 49 Ų | 49 | 56 Ų | 56 | 41% | 0.405 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.7 | -31.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K154 R225 Q226 Q231 | K154-A229 WeakPolarHBondContact CE-O 3.44Å; K154-A229 PolarHBondContact NZ-O 3.13Å; R225-A229 WeakPolarHBondContact O-CB 3.48Å; R225-A229 PolarHBondContact O-N 2.8Å; Q226-A229 WeakPolarHBondContact O-CB 3.1Å; Q226-A229 PolarHBondContact O-N 2.88Å; A229-Q231 VanDerWaalsContact C-N 3.27Å; A229-Q231 PolarHBondContact O-N 3.43Å |
| 230 | E | 91.7 | Very high | 91 | Very high | 77 Ų | 77 | 54 Ų | 54 | 36% | 0.36 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -11.3 | 177.3 | -71.2 | 169.5 | -168.2 | 0 | 0 | 113.9 | Q226 K227 V228 | Q226-E230 WeakPolarHBondContact CG-OE1 3.46Å; Q226-E230 PolarHBondContact NE2-OE1 2.93Å; Q226-E230 WeakPolarHBondContact O-CG 3.49Å; Q226-E230 PolarHBondContact O-N 2.85Å; K227-E230 WeakPolarHBondContact CD-OE2 3.43Å; K227-E230 IonicContact NZ-OE2 2.88Å; K227-E230 PolarHBondContact NZ-OE2 2.76Å; V228-E230 PolarHBondContact O-N 2.84Å |
| 231 | Q | 92.3 | Very high | 91.2 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 7% | 0.065 | 27% | 0.267 | C | S | . | . | trans | -80.9 | 149.5 | -178.5 | -56.2 | -45.3 | -57.6 | 0 | 0 | 112.5 | L142 L150 K154 F175 V214 K227 V228 A229 | L142-Q231 HydrophobicContact CD1-CB 4.35Å; L150-Q231 HydrophobicContact CD1-CB 4.35Å; K154-Q231 WeakPolarHBondContact CE-O 3.33Å; K154-Q231 PolarHBondContact NZ-O 3.32Å; F175-Q231 HydrophobicContact CE1-CG 3.84Å; F175-Q231 HydrophobicContact CZ-CG 4.44Å; V214-Q231 VanDerWaalsContact CG1-NE2 3.33Å; K227-Q231 WeakPolarHBondContact O-CG 3.46Å; K227-Q231 PolarHBondContact O-NE2 3.06Å; V228-Q231 PolarHBondContact O-N 2.83Å; V228-Q231 VanDerWaalsContact O-N 3.13Å; A229-Q231 VanDerWaalsContact C-N 3.27Å; A229-Q231 PolarHBondContact O-N 3.43Å | ||
| 232 | Y | 91.9 | Very high | 91.6 | Very high | 90 Ų | 90 | 48.3 Ų | 48.3 | 35% | 0.353 | 25% | 0.252 | S | S | . | . | trans | -131.4 | 159.6 | 175.1 | -55.4 | -74.7 | 0 | 0 | 0 | 109.5 | Q204 Q206 | Q204-Y232 HydrophobicContact CB-CD1 3.63Å; Q204-Y232 HydrophobicContact CB-CE1 3.99Å; Q204-Y232 HydrophobicContact CB-CG 4.26Å; Q204-Y232 HydrophobicContact CG-CD1 4.19Å; Q204-Y232 HydrophobicContact CG-CE1 4.02Å; Q204-Y232 VanDerWaalsContact OE1-CE1 3.27Å; Q206-Y232 HydrophobicContact CG-CD2 4.44Å; Q206-Y232 WeakPolarHBondContact CG-O 3.33Å | ||
| 233 | I | 92.8 | Very high | 92 | Very high | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -69.5 | 156.7 | 178.8 | -142.5 | 66.3 | 0 | 0 | 0 | 110.9 | L142 S143 Y144 M146 K147 L150 C205 Q206 | L142-I233 HydrophobicContact CB-CD1 4.43Å; L142-I233 HydrophobicContact CD2-CD1 4.48Å; L142-I233 WeakPolarHBondContact O-CD1 3.24Å; L142-I233 WeakPolarHBondContact O-CG1 3.46Å; S143-I233 WeakPolarHBondContact O-CD1 3.46Å; S143-I233 WeakPolarHBondContact O-CG1 3.35Å; Y144-I233 HydrophobicContact CD2-CG2 4.04Å; M146-I233 HydrophobicContact CB-CD1 4.12Å; K147-I233 HydrophobicContact CB-CG1 4.36Å; L150-I233 HydrophobicContact CB-CD1 4.4Å; L150-I233 HydrophobicContact CD2-CD1 4.22Å; C205-I233 CarbonylContact C-O 3.49Å; C205-I233 VanDerWaalsContact CA-O 3.31Å; C205-I233 WeakPolarHBondContact CA-O 3.48Å; Q206-I233 PolarHBondContact N-O 3.31Å |
| 234 | S | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -130 | -153.7 | 171.8 | -169.8 | 0 | 0 | 0 | 0 | 108.2 | L142 Y144 P197 Q206 A207 | L142-S234 CarbonylContact O-C 3.45Å; L142-S234 PolarHBondContact O-N 3.05Å; Y144-S234 WeakPolarHBondContact CA-O 3.27Å; Y144-S234 PolarHBondContact N-O 2.88Å; P197-S234 WeakPolarHBondContact CG-OG 3.49Å; Q206-S234 WeakPolarHBondContact O-CB 3.38Å; Q206-S234 PolarHBondContact O-OG 3.35Å; A207-S234 PolarHBondContact O-OG 2.81Å | ||
| 235 | G | 89.3 | Confident | 92.7 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | trans | -173.9 | 154.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | P197 | P197-G235 VanDerWaalsContact CB-O 3.24Å; P197-G235 WeakPolarHBondContact CB-O 3.23Å | ||
| 236 | N | 89.6 | Confident | 93.1 | Very high | 39 Ų | 39 | 36.2 Ų | 36.2 | 21% | 0.209 | 19% | 0.194 | C | C | . | . | trans | -122.7 | -173.5 | 175.1 | 58.8 | -34.4 | 0 | 0 | 0 | 109.3 | V179 D180 D238 E241 | V179-N236 HydrophobicContact CG1-CB 3.9Å; D180-N236 HydrophobicContact CB-CB 4.41Å; N236-D238 PolarHBondContact ND2-O 3.49Å; N236-E241 PolarHBondContact ND2-OE1 2.82Å; N236-E241 PolarHBondContact ND2-OE2 3.04Å; N236-E241 PolarHBondContact OD1-OE1 3.03Å | ||
| 237 | L | 91.3 | Very high | 93.5 | Very high | 108 Ų | 108 | 30.9 Ų | 30.9 | 57% | 0.565 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -109.7 | -42.9 | -174.8 | -170.4 | 68.7 | 0 | 0 | 0 | 112.8 | L184 Y186 | L184-L237 HydrophobicContact CD2-CD2 4.43Å; Y186-L237 WeakPolarHBondContact O-CA 3.26Å; Y186-L237 VanDerWaalsContact O-CB 3.27Å; Y186-L237 WeakPolarHBondContact O-CB 3.4Å; Y186-L237 PolarHBondContact O-N 3.48Å |
| 238 | D | 91.9 | Very high | 93.8 | Very high | 52 Ų | 52 | 27.5 Ų | 27.5 | 28% | 0.278 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -92.2 | -172.4 | 175.5 | 64.8 | -28.7 | 0 | 0 | 0 | 111.8 | Y186 N236 H276 | Y186-D238 VanDerWaalsContact CA-OD1 3.26Å; Y186-D238 WeakPolarHBondContact CA-OD1 3.33Å; N236-D238 PolarHBondContact ND2-O 3.49Å; D238-H276 IonicContact OD2-CE1 2.62Å; D238-H276 PolarHBondContact OD2-CE1 3.4Å; D238-H276 IonicContact OD2-NE2 2.92Å; D238-H276 PolarHBondContact OD2-NE2 3.44Å |
| 239 | S | 91.9 | Very high | 94.2 | Very high | 88 Ų | 88 | 27.5 Ų | 27.5 | 62% | 0.615 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -102.5 | -37.9 | -170.1 | 179.3 | 0 | 0 | 0 | 0 | 114.9 | A273 | S239-A273 WeakPolarHBondContact O-CB 3.42Š|
| 240 | P | 94.6 | Very high | 94.7 | Very high | 42 Ų | 42 | 25.2 Ų | 25.2 | 27% | 0.273 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -71.6 | 152.3 | 172.3 | -11.4 | 27.9 | 0 | 0 | 0 | 110.6 | H276 | P240-H276 PolarHBondContact O-NE2 2.88Š|
| 241 | E | 95.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.019 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | -117.9 | 165.6 | -175.8 | -55.8 | -63.7 | 161.5 | 0 | 0 | 112.2 | S143 F178 N236 S243 A273 G274 F275 H276 | S143-E241 WeakPolarHBondContact CB-OE1 3.14Å; F178-E241 HydrophobicContact CD2-CB 4.42Å; F178-E241 HydrophobicContact CE2-CB 3.97Å; N236-E241 PolarHBondContact ND2-OE1 2.82Å; N236-E241 PolarHBondContact ND2-OE2 3.04Å; N236-E241 PolarHBondContact OD1-OE1 3.03Å; E241-S243 PolarHBondContact O-N 3.45Å; E241-A273 HydrophobicContact CG-CB 3.93Å; E241-G274 PolarHBondContact N-O 3.01Å; E241-G274 VanDerWaalsContact N-O 3.16Å; E241-F275 WeakPolarHBondContact O-CA 3.42Å; E241-H276 PolarHBondContact O-N 3.12Å |
| 242 | G | 96.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | trans | -78.5 | 34 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | V179 D180 L244 D245 A246 | V179-G242 PolarHBondContact O-N 2.91Å; D180-G242 PolarHBondContact OD1-N 3.38Å; G242-L244 VanDerWaalsContact C-N 3.34Å; G242-L244 PolarHBondContact O-N 2.71Å; G242-D245 WeakPolarHBondContact O-CB 2.85Å; G242-D245 PolarHBondContact O-N 3.03Å; G242-A246 PolarHBondContact O-N 3.09Å | ||
| 243 | S | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.8 | -36.2 | -173.4 | 64.3 | 0 | 0 | 0 | 0 | 113.5 | F178 E241 D245 A246 M247 F275 | F178-S243 VanDerWaalsContact CE2-CB 3.43Å; E241-S243 PolarHBondContact O-N 3.45Å; S243-D245 PolarHBondContact O-N 3.2Å; S243-A246 WeakPolarHBondContact O-CB 3.28Å; S243-A246 PolarHBondContact O-N 3.36Å; S243-M247 WeakPolarHBondContact O-CG 3.36Å; S243-M247 PolarHBondContact O-N 3.39Å; S243-F275 WeakPolarHBondContact OG-CB 3.5Å |
| 244 | L | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.1 | -34.1 | -179.3 | -56 | -166.6 | 0 | 0 | 0 | 112.5 | G242 A246 M247 M248 F275 H276 M277 P310 V312 L315 | G242-L244 VanDerWaalsContact C-N 3.34Å; G242-L244 PolarHBondContact O-N 2.71Å; L244-A246 VanDerWaalsContact C-N 3.32Å; L244-M247 HydrophobicContact CD2-SD 4.44Å; L244-M247 PolarHBondContact O-N 3.05Å; L244-M248 WeakPolarHBondContact O-CB 3.23Å; L244-M248 PolarHBondContact O-N 3.02Å; L244-F275 HydrophobicContact CD1-CD2 3.6Å; L244-F275 HydrophobicContact CD1-CE2 3.95Å; L244-F275 HydrophobicContact CD2-CB 4.47Å; L244-F275 HydrophobicContact CD2-CD2 4.03Å; L244-F275 HydrophobicContact CD2-CG 4.22Å; L244-F275 HydrophobicContact CG-CB 4.26Å; L244-F275 HydrophobicContact CG-CD2 3.77Å; L244-F275 HydrophobicContact CG-CE2 4.48Å; L244-F275 HydrophobicContact CG-CG 4.23Å; L244-H276 WeakPolarHBondContact CD1-O 3.47Å; L244-M277 HydrophobicContact CD1-CB 4.18Å; L244-P310 HydrophobicContact CB-CG 3.73Å; L244-P310 WeakPolarHBondContact O-CG 3.35Å; L244-V312 HydrophobicContact CD1-CG2 4.45Å; L244-L315 HydrophobicContact CB-CD2 4.43Å; L244-L315 HydrophobicContact CD2-CD2 3.73Å |
| 245 | D | 98.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60 | -45.9 | 172.6 | -100.6 | -12.2 | 0 | 0 | 0 | 110.4 | K181 G242 S243 M248 Q249 Y301 P310 | K181-D245 IonicContact NZ-OD2 2.72Å; K181-D245 PolarHBondContact NZ-OD2 3.5Å; G242-D245 WeakPolarHBondContact O-CB 2.85Å; G242-D245 PolarHBondContact O-N 3.03Å; S243-D245 PolarHBondContact O-N 3.2Å; D245-M248 PolarHBondContact O-N 3.02Å; D245-Q249 WeakPolarHBondContact O-CG 3.33Å; D245-Q249 PolarHBondContact O-N 2.75Å; D245-Y301 HydrophobicContact CB-CD1 4.45Å; D245-Y301 HydrophobicContact CB-CE1 4.09Å; D245-P310 WeakPolarHBondContact OD1-CD 3.43Å |
| 246 | A | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.7 | -40.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L139 F178 Y211 G242 S243 L244 A250 | L139-A246 HydrophobicContact CD1-CB 3.97Å; L139-A246 HydrophobicContact CD2-CB 3.76Å; L139-A246 HydrophobicContact CG-CB 4.32Å; F178-A246 HydrophobicContact CB-CB 3.63Å; F178-A246 HydrophobicContact CD1-CB 4.1Å; F178-A246 HydrophobicContact CG-CB 3.93Å; Y211-A246 HydrophobicContact CD2-CB 3.4Å; Y211-A246 HydrophobicContact CE2-CB 4.06Å; Y211-A246 HydrophobicContact CG-CB 3.89Å; G242-A246 PolarHBondContact O-N 3.09Å; S243-A246 WeakPolarHBondContact O-CB 3.28Å; S243-A246 PolarHBondContact O-N 3.36Å; L244-A246 VanDerWaalsContact C-N 3.32Å; A246-A250 VanDerWaalsContact O-CB 3.29Å; A246-A250 WeakPolarHBondContact O-CB 3.37Å; A246-A250 PolarHBondContact O-N 3.06Å |
| 247 | M | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.7 | -42.8 | 173.5 | -71.2 | -176.6 | 69.4 | 0 | 0 | 112 | L139 S243 L244 A250 A251 L269 L315 L319 P326 F328 | L139-M247 HydrophobicContact CD2-CB 4.49Å; L139-M247 HydrophobicContact CD2-CG 3.69Å; S243-M247 WeakPolarHBondContact O-CG 3.36Å; S243-M247 PolarHBondContact O-N 3.39Å; L244-M247 HydrophobicContact CD2-SD 4.44Å; L244-M247 PolarHBondContact O-N 3.05Å; M247-A250 PolarHBondContact O-N 2.94Å; M247-A251 WeakPolarHBondContact O-CB 3.35Å; M247-A251 PolarHBondContact O-N 3.21Å; M247-L269 HydrophobicContact CG-CD1 4.31Å; M247-L269 HydrophobicContact SD-CD1 4.44Å; M247-L269 HydrophobicContact SD-CD2 3.97Å; M247-L315 HydrophobicContact CB-CD1 3.87Å; M247-L315 HydrophobicContact CB-CD2 4.17Å; M247-L315 HydrophobicContact CE-CD2 4.14Å; M247-L315 HydrophobicContact SD-CD2 4.14Å; M247-L319 HydrophobicContact CE-CD1 4.15Å; M247-P326 HydrophobicContact CE-CB 3.57Å; M247-P326 HydrophobicContact CE-CG 4.3Å; M247-F328 HydrophobicContact CE-CE1 3.86Å; M247-F328 HydrophobicContact CE-CZ 4.27Å; M247-F328 HydrophobicContact SD-CE1 3.93Å |
| 248 | M | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.1 | -51.3 | 177.6 | 179 | 60 | 79.1 | 0 | 0 | 110.7 | L244 D245 A250 A251 V252 E292 P310 Q314 L315 Q318 | L244-M248 WeakPolarHBondContact O-CB 3.23Å; L244-M248 PolarHBondContact O-N 3.02Å; D245-M248 PolarHBondContact O-N 3.02Å; M248-A250 VanDerWaalsContact C-N 3.34Å; M248-A250 PolarHBondContact O-N 3.3Å; M248-A251 WeakPolarHBondContact O-CB 3.3Å; M248-A251 PolarHBondContact O-N 3.18Å; M248-V252 VanDerWaalsContact O-CG2 3.28Å; M248-V252 WeakPolarHBondContact O-CG2 3.42Å; M248-V252 PolarHBondContact O-N 3.05Å; M248-V252 HydrophobicContact SD-CG1 3.82Å; M248-E292 HydrophobicContact CE-CG 4.14Å; M248-E292 HydrophobicContact SD-CB 4.43Å; M248-P310 HydrophobicContact CB-CB 4.4Å; M248-P310 HydrophobicContact CB-CG 4.01Å; M248-P310 HydrophobicContact CE-CB 3.61Å; M248-P310 HydrophobicContact CE-CG 4.39Å; M248-P310 HydrophobicContact CG-CB 4.46Å; M248-Q314 HydrophobicContact CE-CB 3.96Å; M248-L315 HydrophobicContact CB-CD1 4.44Å; M248-L315 HydrophobicContact CE-CB 4.34Å; M248-Q318 HydrophobicContact CE-CB 4.43Å; M248-Q318 HydrophobicContact CE-CG 4.13Å; M248-Q318 HydrophobicContact SD-CB 3.99Å; M248-Q318 HydrophobicContact SD-CG 3.82Å |
| 249 | Q | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.5 | -39.6 | 178.3 | -69.9 | -59.4 | -59 | 0 | 0 | 112.2 | Y211 D245 A251 C253 L293 Y301 | Y211-Q249 HydrophobicContact CD1-CB 3.73Å; Y211-Q249 HydrophobicContact CD1-CG 4.29Å; Y211-Q249 HydrophobicContact CE1-CB 3.74Å; D245-Q249 WeakPolarHBondContact O-CG 3.33Å; D245-Q249 PolarHBondContact O-N 2.75Å; Q249-A251 VanDerWaalsContact C-N 3.26Å; Q249-A251 PolarHBondContact O-N 3.23Å; Q249-C253 WeakPolarHBondContact O-CB 3.32Å; Q249-C253 PolarHBondContact O-N 2.73Å; Q249-C253 PolarHBondContact O-SG 3.39Å; Q249-C253 VanDerWaalsContact O-SG 3.38Å; Q249-C253 PolarHBondContact OE1-SG 3.29Å; Q249-L293 PolarHBondContact NE2-O 3.01Å; Q249-Y301 HydrophobicContact CG-CD1 4.3Å; Q249-Y301 HydrophobicContact CG-CD2 3.76Å; Q249-Y301 HydrophobicContact CG-CE2 4.03Å; Q249-Y301 HydrophobicContact CG-CG 3.93Å |
| 250 | A | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.4 | -28.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y137 A246 M247 M248 W259 I267 | Y137-A250 HydrophobicContact CD1-CB 4.04Å; Y137-A250 HydrophobicContact CE1-CB 3.93Å; A246-A250 VanDerWaalsContact O-CB 3.29Å; A246-A250 WeakPolarHBondContact O-CB 3.37Å; A246-A250 PolarHBondContact O-N 3.06Å; M247-A250 PolarHBondContact O-N 2.94Å; M248-A250 VanDerWaalsContact C-N 3.34Å; M248-A250 PolarHBondContact O-N 3.3Å; A250-W259 PolarHBondContact O-NE1 2.88Å; A250-I267 HydrophobicContact CB-CD1 3.99Å |
| 251 | A | 97.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -77.1 | -45.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M247 M248 Q249 L319 I324 | M247-A251 WeakPolarHBondContact O-CB 3.35Å; M247-A251 PolarHBondContact O-N 3.21Å; M248-A251 WeakPolarHBondContact O-CB 3.3Å; M248-A251 PolarHBondContact O-N 3.18Å; Q249-A251 VanDerWaalsContact C-N 3.26Å; Q249-A251 PolarHBondContact O-N 3.23Å; A251-L319 HydrophobicContact CB-CD2 4.2Å; A251-I324 HydrophobicContact CB-CD1 3.92Å |
| 252 | V | 97.4 | Very high | 94.8 | Very high | 29 Ų | 29 | 25.8 Ų | 25.8 | 18% | 0.176 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -88.9 | -24.9 | -172 | -57.1 | 0 | 0 | 0 | 0 | 113.5 | M248 G254 E292 L293 C294 Q318 | M248-V252 VanDerWaalsContact O-CG2 3.28Å; M248-V252 WeakPolarHBondContact O-CG2 3.42Å; M248-V252 PolarHBondContact O-N 3.05Å; M248-V252 HydrophobicContact SD-CG1 3.82Å; V252-G254 VanDerWaalsContact C-N 3.26Å; V252-G254 PolarHBondContact O-N 3.11Å; V252-G254 VanDerWaalsContact O-N 3.12Å; V252-E292 WeakPolarHBondContact CG1-O 3.41Å; V252-L293 WeakPolarHBondContact CG2-O 3.48Å; V252-C294 HydrophobicContact CG2-CB 4.16Å; V252-Q318 HydrophobicContact CG1-CB 4.21Å; V252-Q318 HydrophobicContact CG1-CG 4.12Å |
| 253 | C | 97.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.02 | 15% | 0.146 | C | C | . | . | trans | -87.6 | 47.6 | 178.8 | -64.2 | 0 | 0 | 0 | 0 | 113.5 | Q249 D255 K256 I257 C294 M296 | Q249-C253 WeakPolarHBondContact O-CB 3.32Å; Q249-C253 PolarHBondContact O-N 2.73Å; Q249-C253 PolarHBondContact O-SG 3.39Å; Q249-C253 VanDerWaalsContact O-SG 3.38Å; Q249-C253 PolarHBondContact OE1-SG 3.29Å; C253-D255 VanDerWaalsContact C-N 3.29Å; C253-D255 PolarHBondContact O-N 3.05Å; C253-D255 VanDerWaalsContact O-N 3.16Å; C253-K256 HydrophobicContact CB-CB 4.38Å; C253-K256 PolarHBondContact O-N 3.14Å; C253-I257 WeakPolarHBondContact O-CG1 3.41Å; C253-I257 PolarHBondContact O-N 3.04Å; C253-I257 VanDerWaalsContact O-N 3.09Å; C253-C294 VanDerWaalsContact CA-SG 3.51Å; C253-C294 HydrophobicContact CB-CB 3.99Å; C253-C294 WeakPolarHBondContact CB-SG 3.36Å; C253-C294 WeakPolarHBondContact SG-CA 3.42Å; C253-C294 WeakPolarHBondContact SG-CB 3.32Å; C253-C294 CovalentContact SG-SG 2.03Å; C253-C294 PolarHBondContact SG-SG 3.35Å; C253-M296 HydrophobicContact CB-CE 3.21Å; C253-M296 WeakPolarHBondContact SG-CE 3.33Å | ||
| 254 | G | 93.3 | Very high | 93.9 | Very high | 20 Ų | 20 | 26.5 Ų | 26.5 | 21% | 0.206 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.4 | -36.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | V252 K256 G258 W259 | V252-G254 VanDerWaalsContact C-N 3.26Å; V252-G254 PolarHBondContact O-N 3.11Å; V252-G254 VanDerWaalsContact O-N 3.12Å; G254-K256 VanDerWaalsContact C-N 3.33Å; G254-K256 PolarHBondContact O-N 3.3Å; G254-G258 WeakPolarHBondContact O-CA 3.42Å; G254-G258 PolarHBondContact O-N 3.46Å; G254-W259 PolarHBondContact O-N 2.88Å |
| 255 | D | 91.9 | Very high | 93.7 | Very high | 168 Ų | 168 | 27.8 Ų | 27.8 | 90% | 0.898 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -67.2 | -32.3 | 178.1 | -63.1 | -29.3 | 0 | 0 | 0 | 113 | C253 | C253-D255 VanDerWaalsContact C-N 3.29Å; C253-D255 PolarHBondContact O-N 3.05Å; C253-D255 VanDerWaalsContact O-N 3.16Å |
| 256 | K | 95.4 | Very high | 93.4 | Very high | 88 Ų | 88 | 27.7 Ų | 27.7 | 38% | 0.383 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -80.3 | -42.1 | 179.6 | -58.1 | -169 | -175.1 | -145.7 | 0 | 111.4 | H213 S216 C253 G254 G258 M296 | H213-K256 PolarHBondContact NE2-O 3.07Å; S216-K256 PolarHBondContact OG-O 3.45Å; S216-K256 VanDerWaalsContact OG-O 3.13Å; C253-K256 HydrophobicContact CB-CB 4.38Å; C253-K256 PolarHBondContact O-N 3.14Å; G254-K256 VanDerWaalsContact C-N 3.33Å; G254-K256 PolarHBondContact O-N 3.3Å; K256-G258 VanDerWaalsContact C-N 3.33Å; K256-M296 HydrophobicContact CB-CE 4.25Å; K256-M296 HydrophobicContact CD-CB 3.71Å; K256-M296 HydrophobicContact CD-CE 4.28Å; K256-M296 HydrophobicContact CD-SD 4.42Å; K256-M296 PolarHBondContact NZ-O 2.81Å |
| 257 | I | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.9 | -40.8 | 175.4 | -57.9 | -53.3 | 0 | 0 | 0 | 110.2 | Y137 S216 M217 C253 W259 M296 | Y137-I257 HydrophobicContact CD2-CG2 3.57Å; Y137-I257 HydrophobicContact CE1-CD1 4.35Å; Y137-I257 HydrophobicContact CE2-CD1 3.88Å; Y137-I257 HydrophobicContact CE2-CG2 3.83Å; Y137-I257 HydrophobicContact CG-CG2 4.14Å; S216-I257 WeakPolarHBondContact CA-O 3.4Å; M217-I257 HydrophobicContact CE-CG2 3.92Å; M217-I257 HydrophobicContact CG-CG2 4.46Å; M217-I257 WeakPolarHBondContact CG-O 3.47Å; M217-I257 PolarHBondContact N-O 2.87Å; C253-I257 WeakPolarHBondContact O-CG1 3.41Å; C253-I257 PolarHBondContact O-N 3.04Å; C253-I257 VanDerWaalsContact O-N 3.09Å; I257-W259 HydrophobicContact CG2-CD2 4.17Å; I257-W259 HydrophobicContact CG2-CG 4.4Å; I257-W259 HydrophobicContact CG2-CZ2 4.05Å; I257-M296 HydrophobicContact CD1-CE 4.14Å |
| 258 | G | 95.5 | Very high | 93.1 | Very high | 28 Ų | 28 | 27.7 Ų | 27.7 | 29% | 0.289 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | 33.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | M217 G254 K256 R260 | M217-G258 WeakPolarHBondContact CB-O 3.44Å; M217-G258 WeakPolarHBondContact CG-O 3.45Å; G254-G258 WeakPolarHBondContact O-CA 3.42Å; G254-G258 PolarHBondContact O-N 3.46Å; K256-G258 VanDerWaalsContact C-N 3.33Å; G258-R260 PolarHBondContact O-N 2.81Å |
| 259 | W | 94.4 | Very high | 93 | Very high | 20 Ų | 20 | 27.7 Ų | 27.7 | 8% | 0.076 | 15% | 0.152 | C | C | . | . | trans | -59.5 | 129.5 | 175.5 | -65.7 | 122.5 | 0 | 0 | 0 | 110.9 | D135 Y137 M217 A250 G254 I257 R265 L266 I267 I324 | D135-W259 HydrophobicContact CB-CE3 3.59Å; D135-W259 HydrophobicContact CB-CZ3 3.61Å; Y137-W259 VanDerWaalsContact CB-CH2 3.46Å; Y137-W259 HydrophobicContact CG-CZ2 4.4Å; M217-W259 HydrophobicContact CE-CD2 4.01Å; M217-W259 HydrophobicContact CE-CE3 3.46Å; M217-W259 VanDerWaalsContact CE-CE3 3.46Å; M217-W259 HydrophobicContact CE-CH2 3.51Å; M217-W259 HydrophobicContact CE-CZ2 4.04Å; M217-W259 HydrophobicContact CE-CZ3 3.19Å; A250-W259 PolarHBondContact O-NE1 2.88Å; G254-W259 PolarHBondContact O-N 2.88Å; I257-W259 HydrophobicContact CG2-CD2 4.17Å; I257-W259 HydrophobicContact CG2-CG 4.4Å; I257-W259 HydrophobicContact CG2-CZ2 4.05Å; W259-R265 HydrophobicContact CD2-CB 4.34Å; W259-R265 HydrophobicContact CD2-CG 4.24Å; W259-R265 HydrophobicContact CE3-CB 3.64Å; W259-R265 HydrophobicContact CE3-CG 3.62Å; W259-R265 HydrophobicContact CH2-CB 4.28Å; W259-R265 HydrophobicContact CZ3-CB 3.6Å; W259-R265 HydrophobicContact CZ3-CG 4.1Å; W259-L266 WeakPolarHBondContact CH2-O 3.3Å; W259-I267 HydrophobicContact CH2-CG1 4.05Å; W259-I267 HydrophobicContact CZ2-CD1 4.33Å; W259-I267 HydrophobicContact CZ2-CG1 3.92Å; W259-I324 HydrophobicContact CZ2-CD1 4.15Å | ||
| 260 | R | 90.3 | Very high | 92.8 | Very high | 39 Ų | 39 | 27.7 Ų | 27.7 | 15% | 0.147 | 15% | 0.152 | C | C | . | . | trans | -74 | 149.3 | 172.5 | -65.7 | -179.4 | -78.8 | -172.4 | -4.6 | 110.4 | V134 D135 D170 K172 G258 S262 S263 R265 | V134-R260 PolarHBondContact O-NH2 3.18Å; D135-R260 IonicContact OD1-CZ 3.17Å; D135-R260 IonicContact OD1-NE 3.07Å; D135-R260 PolarHBondContact OD1-NE 3.08Å; D135-R260 IonicContact OD1-NH2 3.56Å; D135-R260 PolarHBondContact OD1-NH2 3.21Å; D135-R260 VanDerWaalsContact OD2-CB 3.3Å; D135-R260 WeakPolarHBondContact OD2-CB 3.45Å; D135-R260 PolarHBondContact OD2-N 3.5Å; D135-R260 IonicContact OD2-NE 3.63Å; D135-R260 PolarHBondContact OD2-NE 2.81Å; D170-R260 PolarHBondContact O-NH2 3.23Å; D170-R260 IonicContact OD1-CZ 2.88Å; D170-R260 IonicContact OD1-NH1 3.83Å; D170-R260 PolarHBondContact OD1-NH1 2.92Å; D170-R260 IonicContact OD1-NH2 3.56Å; D170-R260 IonicContact OD2-NH1 3.8Å; D170-R260 PolarHBondContact OD2-NH1 2.87Å; K172-R260 HydrophobicContact CD-CG 4.34Å; G258-R260 PolarHBondContact O-N 2.81Å; R260-S262 PolarHBondContact O-N 2.57Å; R260-S263 PolarHBondContact O-OG 2.73Å; R260-R265 PolarHBondContact O-NE 3.36Å; R260-R265 VanDerWaalsContact O-NE 3.1Å; R260-R265 PolarHBondContact O-NH2 3.1Å | ||
| 261 | N | 81.3 | Confident | 92.6 | Very high | 127 Ų | 127 | 27.7 Ų | 27.7 | 68% | 0.679 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -67 | -23.7 | 175.4 | -77.5 | -19 | 0 | 0 | 0 | 113.2 | K442 | N261-K442 WeakPolarHBondContact O-CD 3.23Š|
| 262 | S | 80.1 | Confident | 92.4 | Very high | 14 Ų | 14 | 29.2 Ų | 29.2 | 10% | 0.098 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -131 | 64.5 | -171.2 | -50.4 | 0 | 0 | 0 | 0 | 110.5 | E101 R260 K442 | E101-S262 VanDerWaalsContact OE1-CB 3.26Å; E101-S262 WeakPolarHBondContact OE1-CB 3.4Å; E101-S262 PolarHBondContact OE1-OG 3.27Å; E101-S262 PolarHBondContact OE2-OG 3.46Å; E101-S262 VanDerWaalsContact OE2-OG 3.08Å; R260-S262 PolarHBondContact O-N 2.57Å; S262-K442 PolarHBondContact OG-NZ 2.69Å |
| 263 | S | 86.6 | Confident | 92.2 | Very high | 11 Ų | 11 | 28.1 Ų | 28.1 | 8% | 0.077 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -148.5 | 155.7 | 179.1 | 60.3 | 0 | 0 | 0 | 0 | 110.9 | Y132 P133 D135 R260 R265 | Y132-S263 VanDerWaalsContact CE1-C 3.43Å; P133-S263 CarbonylContact O-C 3.46Å; P133-S263 WeakPolarHBondContact O-CA 3.27Å; P133-S263 WeakPolarHBondContact O-CB 3.48Å; D135-S263 VanDerWaalsContact CG-OG 3.27Å; D135-S263 WeakPolarHBondContact OD2-CB 3.33Å; D135-S263 PolarHBondContact OD2-OG 2.58Å; R260-S263 PolarHBondContact O-OG 2.73Å; S263-R265 PolarHBondContact O-N 3.34Å |
| 264 | T | 87.7 | Confident | 92.2 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 117 | 162.6 | -60.7 | 0 | 0 | 0 | 0 | 107.6 | Y132 P133 V134 D135 L266 Y368 | Y132-T264 WeakPolarHBondContact CD1-OG1 3.5Å; P133-T264 PolarHBondContact O-N 2.77Å; V134-T264 WeakPolarHBondContact CA-O 3.39Å; D135-T264 PolarHBondContact N-O 3.35Å; T264-L266 HydrophobicContact CG2-CD2 3.89Å; T264-L266 HydrophobicContact CG2-CG 4.18Å; T264-Y368 HydrophobicContact CG2-CE2 4.25Å |
| 265 | R | 92.4 | Very high | 92.3 | Very high | 28 Ų | 28 | 28.9 Ų | 28.9 | 11% | 0.106 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 119.6 | -177.6 | -56.1 | 173.4 | -179 | -178.6 | -6.3 | 109.8 | W259 R260 S263 N322 I324 Q325 | W259-R265 HydrophobicContact CD2-CB 4.34Å; W259-R265 HydrophobicContact CD2-CG 4.24Å; W259-R265 HydrophobicContact CE3-CB 3.64Å; W259-R265 HydrophobicContact CE3-CG 3.62Å; W259-R265 HydrophobicContact CH2-CB 4.28Å; W259-R265 HydrophobicContact CZ3-CB 3.6Å; W259-R265 HydrophobicContact CZ3-CG 4.1Å; R260-R265 PolarHBondContact O-NE 3.36Å; R260-R265 VanDerWaalsContact O-NE 3.1Å; R260-R265 PolarHBondContact O-NH2 3.1Å; S263-R265 PolarHBondContact O-N 3.34Å; R265-N322 WeakPolarHBondContact CD-O 3.49Å; R265-N322 PolarHBondContact NH1-O 3.02Å; R265-I324 HydrophobicContact CB-CB 4.46Å; R265-I324 HydrophobicContact CB-CG1 3.95Å; R265-Q325 PolarHBondContact O-N 3.08Å |
| 266 | L | 93.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129 | -178.2 | -56.8 | 175.9 | 0 | 0 | 0 | 109.9 | V134 D135 L136 Y137 W259 T264 Q325 I327 Y368 L371 | V134-L266 HydrophobicContact CG1-CD1 3.72Å; V134-L266 HydrophobicContact CG1-CG 4.29Å; D135-L266 PolarHBondContact O-N 3.32Å; L136-L266 CarbonylContact C-O 3.56Å; L136-L266 WeakPolarHBondContact CA-O 3.41Å; L136-L266 HydrophobicContact CG-CB 4.49Å; Y137-L266 PolarHBondContact N-O 2.92Å; W259-L266 WeakPolarHBondContact CH2-O 3.3Å; T264-L266 HydrophobicContact CG2-CD2 3.89Å; T264-L266 HydrophobicContact CG2-CG 4.18Å; L266-Q325 WeakPolarHBondContact CA-O 3.24Å; L266-Q325 HydrophobicContact CD2-CB 4.01Å; L266-I327 HydrophobicContact CD1-CD1 4.33Å; L266-I327 HydrophobicContact CD2-CD1 4.42Å; L266-Y368 HydrophobicContact CD1-CD2 3.99Å; L266-L371 HydrophobicContact CD2-CD1 4.19Å |
| 267 | I | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 122.5 | 163.5 | -72 | 176.9 | 0 | 0 | 0 | 107.4 | Y137 L139 A250 W259 L319 I324 Q325 P326 I327 | Y137-I267 WeakPolarHBondContact O-CA 3.48Å; L139-I267 HydrophobicContact CB-CG2 4.3Å; L139-I267 HydrophobicContact CD2-CG2 4.5Å; A250-I267 HydrophobicContact CB-CD1 3.99Å; W259-I267 HydrophobicContact CH2-CG1 4.05Å; W259-I267 HydrophobicContact CZ2-CD1 4.33Å; W259-I267 HydrophobicContact CZ2-CG1 3.92Å; I267-L319 HydrophobicContact CD1-CD2 4.31Å; I267-I324 HydrophobicContact CB-CG2 4.23Å; I267-I324 HydrophobicContact CD1-CG2 3.58Å; I267-I324 HydrophobicContact CG1-CG2 3.57Å; I267-Q325 PolarHBondContact N-O 2.81Å; I267-Q325 VanDerWaalsContact N-O 3.08Å; I267-P326 CarbonylContact O-C 3.48Å; I267-P326 WeakPolarHBondContact O-CA 3.27Å; I267-I327 PolarHBondContact O-N 3.1Å |
| 268 | V | 94.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 108.9 | 169 | -178.5 | 0 | 0 | 0 | 0 | 107.5 | L136 Y137 Y138 L139 I327 A329 I364 | L136-V268 HydrophobicContact CD1-CG2 3.78Å; L136-V268 HydrophobicContact CD2-CG2 4.09Å; L136-V268 HydrophobicContact CG-CG2 3.95Å; Y137-V268 PolarHBondContact O-N 2.54Å; Y138-V268 HydrophobicContact CD2-CB 3.95Å; Y138-V268 HydrophobicContact CD2-CG1 3.95Å; Y138-V268 HydrophobicContact CE2-CB 4.34Å; Y138-V268 HydrophobicContact CE2-CG1 3.82Å; L139-V268 PolarHBondContact N-O 3.43Å; V268-I327 CarbonylContact C-O 3.22Å; V268-I327 WeakPolarHBondContact CA-O 3.39Å; V268-I327 HydrophobicContact CG2-CB 4.25Å; V268-I327 HydrophobicContact CG2-CD1 4.2Å; V268-A329 HydrophobicContact CG1-CB 4.03Å; V268-I364 HydrophobicContact CG1-CD1 4.34Å; V268-I364 HydrophobicContact CG1-CG1 4.46Å; V268-I364 HydrophobicContact CG2-CD1 4Å; V268-I364 HydrophobicContact CG2-CG1 4.02Å |
| 269 | L | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 116.7 | 172.8 | -178 | 75.1 | 0 | 0 | 0 | 108.7 | L139 F178 M247 T271 I327 F328 A329 Y338 | L139-L269 HydrophobicContact CB-CD1 4.39Å; L139-L269 HydrophobicContact CD2-CD1 3.67Å; L139-L269 HydrophobicContact CG-CD1 4.03Å; L139-L269 WeakPolarHBondContact O-CA 3.2Å; F178-L269 HydrophobicContact CD1-CD1 4.45Å; F178-L269 HydrophobicContact CE1-CD1 3.45Å; F178-L269 VanDerWaalsContact CE1-CD1 3.45Å; F178-L269 HydrophobicContact CZ-CD1 3.64Å; M247-L269 HydrophobicContact CG-CD1 4.31Å; M247-L269 HydrophobicContact SD-CD1 4.44Å; M247-L269 HydrophobicContact SD-CD2 3.97Å; L269-T271 HydrophobicContact CD2-CG2 4.34Å; L269-T271 HydrophobicContact CG-CG2 4.4Å; L269-I327 PolarHBondContact N-O 2.78Å; L269-F328 HydrophobicContact CB-CD1 4.12Å; L269-F328 HydrophobicContact CD2-CD1 3.82Å; L269-F328 HydrophobicContact CD2-CE1 4.12Å; L269-A329 PolarHBondContact O-N 3.08Å; L269-Y338 HydrophobicContact CD2-CE1 3.82Å |
| 270 | A | 93.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 117 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y138 L139 D141 A329 | Y138-A270 HydrophobicContact CE1-CB 4.15Å; Y138-A270 WeakPolarHBondContact OH-CB 3.32Å; L139-A270 PolarHBondContact O-N 3.05Å; D141-A270 VanDerWaalsContact CB-O 3.22Å; D141-A270 WeakPolarHBondContact CB-O 3.42Å; D141-A270 PolarHBondContact N-O 3.1Å; A270-A329 WeakPolarHBondContact CA-O 3.39Å |
| 271 | T | 93.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 152.3 | -179.3 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | D141 L269 A273 A329 V330 Y338 | D141-T271 WeakPolarHBondContact OD2-CB 3.32Å; D141-T271 PolarHBondContact OD2-OG1 3.44Å; L269-T271 HydrophobicContact CD2-CG2 4.34Å; L269-T271 HydrophobicContact CG-CG2 4.4Å; T271-A273 PolarHBondContact OG1-N 2.61Å; T271-A273 VanDerWaalsContact OG1-N 3.14Å; T271-A329 PolarHBondContact N-O 3.47Å; T271-V330 HydrophobicContact CG2-CG1 3.91Å; T271-V330 VanDerWaalsContact O-CA 3.3Å; T271-V330 WeakPolarHBondContact O-CA 3.39Å; T271-Y338 HydrophobicContact CG2-CE2 4.4Å; T271-Y338 VanDerWaalsContact CG2-OH 3.28Å; T271-Y338 WeakPolarHBondContact CG2-OH 3.4Å |
| 272 | D | 92.2 | Very high | 94 | Very high | 33 Ų | 33 | 24.7 Ų | 24.7 | 18% | 0.176 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -101.1 | 3.3 | 173.7 | 71.8 | -28.9 | 0 | 0 | 0 | 113.5 | S145 M146 T331 N333 | S145-D272 WeakPolarHBondContact CB-OD2 3.19Å; S145-D272 PolarHBondContact OG-OD1 2.73Å; S145-D272 PolarHBondContact OG-OD2 3.34Å; S145-D272 VanDerWaalsContact OG-OD2 3.06Å; M146-D272 HydrophobicContact SD-CB 3.79Å; M146-D272 PolarHBondContact SD-N 3.47Å; D272-T331 VanDerWaalsContact CA-OG1 3.23Å; D272-T331 WeakPolarHBondContact CA-OG1 3.43Å; D272-T331 HydrophobicContact CB-CG2 3.59Å; D272-T331 PolarHBondContact O-OG1 2.7Å; D272-N333 PolarHBondContact O-ND2 2.95Å |
| 273 | A | 94.3 | Very high | 94.7 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 6% | 0.058 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -125 | 171.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S239 E241 T271 Y338 | S239-A273 WeakPolarHBondContact O-CB 3.42Å; E241-A273 HydrophobicContact CG-CB 3.93Å; T271-A273 PolarHBondContact OG1-N 2.61Å; T271-A273 VanDerWaalsContact OG1-N 3.14Å; A273-Y338 WeakPolarHBondContact O-CE2 3.28Å; A273-Y338 PolarHBondContact O-OH 3.03Å; A273-Y338 VanDerWaalsContact O-OH 3.11Å |
| 274 | G | 95.4 | Very high | 95.1 | Very high | 17 Ų | 17 | 31.2 Ų | 31.2 | 18% | 0.175 | 18% | 0.179 | C | C | . | . | trans | -71.8 | -170 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E241 | E241-G274 PolarHBondContact N-O 3.01Å; E241-G274 VanDerWaalsContact N-O 3.16Å | ||
| 275 | F | 97.1 | Very high | 95.5 | Very high | 22 Ų | 22 | 33.8 Ų | 33.8 | 10% | 0.096 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -137.2 | 146.5 | 178.7 | 57 | -94.4 | 0 | 0 | 0 | 111.4 | E241 S243 L244 M277 V312 V337 Y338 L341 | E241-F275 WeakPolarHBondContact O-CA 3.42Å; S243-F275 WeakPolarHBondContact OG-CB 3.5Å; L244-F275 HydrophobicContact CD1-CD2 3.6Å; L244-F275 HydrophobicContact CD1-CE2 3.95Å; L244-F275 HydrophobicContact CD2-CB 4.47Å; L244-F275 HydrophobicContact CD2-CD2 4.03Å; L244-F275 HydrophobicContact CD2-CG 4.22Å; L244-F275 HydrophobicContact CG-CB 4.26Å; L244-F275 HydrophobicContact CG-CD2 3.77Å; L244-F275 HydrophobicContact CG-CE2 4.48Å; L244-F275 HydrophobicContact CG-CG 4.23Å; F275-M277 HydrophobicContact CD2-CE 4.41Å; F275-M277 HydrophobicContact CE2-CE 3.77Å; F275-V312 HydrophobicContact CE2-CG2 4.47Å; F275-V337 HydrophobicContact CE1-CG1 3.92Å; F275-V337 HydrophobicContact CZ-CG1 4.45Å; F275-Y338 HydrophobicContact CD1-CD1 4.48Å; F275-Y338 AromaticContact CD1-CE1 3.75Å; F275-Y338 HydrophobicContact CD1-CE1 3.75Å; F275-Y338 HydrophobicContact CD1-CE2 4.21Å; F275-Y338 AromaticContact CD1-CZ 3.61Å; F275-Y338 HydrophobicContact CE1-CD1 4.34Å; F275-Y338 HydrophobicContact CE1-CE1 4.04Å; F275-L341 HydrophobicContact CE1-CD2 3.82Å; F275-L341 HydrophobicContact CZ-CB 4.39Å; F275-L341 HydrophobicContact CZ-CD1 4.01Å; F275-L341 HydrophobicContact CZ-CD2 3.88Å; F275-L341 HydrophobicContact CZ-CG 4.32Å |
| 276 | H | 97.9 | Very high | 95.8 | Very high | 12 Ų | 12 | 33 Ų | 33 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | trans | -77.7 | 150.2 | 166.7 | -78.1 | -58.2 | 0 | 0 | 0 | 112 | D180 Y186 D238 P240 E241 L244 D280 Y309 | D180-H276 IonicContact OD2-CD2 3.32Å; D180-H276 PolarHBondContact OD2-CD2 2.95Å; D180-H276 IonicContact OD2-NE2 3.49Å; Y186-H276 AromaticContact CD1-NE2 3.64Å; D238-H276 IonicContact OD2-CE1 2.62Å; D238-H276 PolarHBondContact OD2-CE1 3.4Å; D238-H276 IonicContact OD2-NE2 2.92Å; D238-H276 PolarHBondContact OD2-NE2 3.44Å; P240-H276 PolarHBondContact O-NE2 2.88Å; E241-H276 PolarHBondContact O-N 3.12Å; L244-H276 WeakPolarHBondContact CD1-O 3.47Å; H276-D280 WeakPolarHBondContact CA-OD2 3.37Å; H276-D280 HydrophobicContact CB-CB 4.35Å; H276-D280 IonicContact CG-OD2 3.97Å; H276-D280 IonicContact ND1-OD2 2.75Å; H276-D280 PolarHBondContact ND1-OD2 2.94Å; H276-Y309 HydrophobicContact CB-CD1 3.7Å; H276-Y309 HydrophobicContact CB-CD2 3.71Å; H276-Y309 HydrophobicContact CB-CE1 3.52Å; H276-Y309 HydrophobicContact CB-CE2 3.54Å; H276-Y309 HydrophobicContact CB-CG 3.78Å; H276-Y309 VanDerWaalsContact CB-CZ 3.42Å; H276-Y309 AromaticContact CD2-CZ 3.82Å; H276-Y309 AromaticContact CG-CE2 3.89Å; H276-Y309 AromaticContact CG-CZ 3.71Å | ||
| 277 | M | 96.6 | Very high | 95.8 | Very high | 80 Ų | 80 | 39.1 Ų | 39.1 | 39% | 0.394 | 24% | 0.236 | S | C | . | . | trans | -136.8 | 168.1 | 177.3 | 70.2 | -179 | 79.7 | 0 | 0 | 112 | L244 F275 G279 D280 | L244-M277 HydrophobicContact CD1-CB 4.18Å; F275-M277 HydrophobicContact CD2-CE 4.41Å; F275-M277 HydrophobicContact CE2-CE 3.77Å; M277-G279 PolarHBondContact O-N 3.32Å; M277-D280 PolarHBondContact N-OD2 3.43Å; M277-D280 WeakPolarHBondContact O-CB 3.33Å; M277-D280 PolarHBondContact O-N 2.71Å | ||
| 278 | A | 97.8 | Very high | 95.9 | Very high | 41 Ų | 41 | 45.1 Ų | 45.1 | 34% | 0.339 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.3 | 130.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y309 P310 | A278-Y309 VanDerWaalsContact CA-O 3.26Å; A278-Y309 WeakPolarHBondContact CA-O 3.48Å; A278-Y309 WeakPolarHBondContact CB-O 3.27Å; A278-Y309 PolarHBondContact N-O 3.05Å; A278-P310 PolarHBondContact N-O 3.21Å |
| 279 | G | 97.1 | Very high | 96.1 | Very high | 44 Ų | 44 | 48.9 Ų | 48.9 | 45% | 0.454 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105 | -28.8 | -173 | 0 | 0 | 0 | 0 | 0 | 113.3 | M277 K282 D308 | M277-G279 PolarHBondContact O-N 3.32Å; G279-K282 VanDerWaalsContact O-CB 3.22Å; G279-K282 WeakPolarHBondContact O-CB 3.25Å; G279-K282 PolarHBondContact O-N 3.18Å; G279-D308 WeakPolarHBondContact CA-OD2 3.2Å; G279-D308 PolarHBondContact N-OD2 2.94Å |
| 280 | D | 97.5 | Very high | 96.2 | Very high | 54 Ų | 54 | 49.1 Ų | 49.1 | 29% | 0.289 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -68.2 | -36.1 | -179.3 | -70.8 | -18.2 | 0 | 0 | 0 | 111.7 | Y186 H276 M277 K282 L283 Y309 | Y186-D280 VanDerWaalsContact OH-C 3.24Å; Y186-D280 PolarHBondContact OH-O 3.39Å; H276-D280 WeakPolarHBondContact CA-OD2 3.37Å; H276-D280 HydrophobicContact CB-CB 4.35Å; H276-D280 IonicContact CG-OD2 3.97Å; H276-D280 IonicContact ND1-OD2 2.75Å; H276-D280 PolarHBondContact ND1-OD2 2.94Å; M277-D280 PolarHBondContact N-OD2 3.43Å; M277-D280 WeakPolarHBondContact O-CB 3.33Å; M277-D280 PolarHBondContact O-N 2.71Å; D280-K282 PolarHBondContact O-N 3.49Å; D280-L283 PolarHBondContact O-N 2.97Å; D280-Y309 HydrophobicContact CB-CD2 4.07Å; D280-Y309 HydrophobicContact CB-CE2 4.11Å |
| 281 | G | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -55 | -22.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y186 L283 A284 G285 I286 D308 | Y186-G281 WeakPolarHBondContact OH-CA 3.41Å; Y186-G281 PolarHBondContact OH-N 3Å; G281-L283 PolarHBondContact O-N 3.37Å; G281-A284 CarbonylContact O-C 3.58Å; G281-A284 WeakPolarHBondContact O-CA 3.48Å; G281-A284 PolarHBondContact O-N 2.86Å; G281-G285 PolarHBondContact O-N 2.89Å; G281-I286 CarbonylContact C-O 3.12Å; G281-I286 VanDerWaalsContact C-O 3.26Å; G281-I286 WeakPolarHBondContact O-CB 3.25Å; G281-I286 PolarHBondContact O-N 3.47Å; G281-D308 WeakPolarHBondContact CA-OD1 3.48Å; G281-D308 PolarHBondContact N-OD1 3.41Å |
| 282 | K | 97.1 | Very high | 96.5 | Very high | 151 Ų | 151 | 54.1 Ų | 54.1 | 66% | 0.657 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -57.1 | -31.8 | 175.7 | -173.5 | 174.9 | -179.9 | 178.2 | 0 | 112.7 | G279 D280 A284 G285 I286 L287 | G279-K282 VanDerWaalsContact O-CB 3.22Å; G279-K282 WeakPolarHBondContact O-CB 3.25Å; G279-K282 PolarHBondContact O-N 3.18Å; D280-K282 PolarHBondContact O-N 3.49Å; K282-A284 PolarHBondContact O-N 3.22Å; K282-G285 PolarHBondContact O-N 3.22Å; K282-G285 VanDerWaalsContact O-N 3.13Å; K282-I286 PolarHBondContact N-O 3.11Å; K282-L287 HydrophobicContact CB-CD2 4.47Å; K282-L287 HydrophobicContact CG-CD2 4.03Å |
| 283 | L | 95.6 | Very high | 96.8 | Very high | 133 Ų | 133 | 57.4 Ų | 57.4 | 70% | 0.696 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -64.7 | -30.7 | 176.4 | -67.6 | 176.3 | 0 | 0 | 0 | 112.4 | P185 D280 G281 | P185-L283 HydrophobicContact CG-CB 3.98Å; D280-L283 PolarHBondContact O-N 2.97Å; G281-L283 PolarHBondContact O-N 3.37Å |
| 284 | A | 94.4 | Very high | 97 | Very high | 28 Ų | 28 | 59.4 Ų | 59.4 | 23% | 0.231 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -91.4 | 5.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V183 L184 Y186 G281 K282 I286 | V183-A284 HydrophobicContact CB-CB 4.43Å; V183-A284 HydrophobicContact CG2-CB 3.59Å; L184-A284 VanDerWaalsContact O-CA 3.31Å; L184-A284 WeakPolarHBondContact O-CA 3.41Å; L184-A284 WeakPolarHBondContact O-CB 3.2Å; Y186-A284 HydrophobicContact CD2-CB 4.28Å; Y186-A284 HydrophobicContact CE2-CB 3.38Å; G281-A284 CarbonylContact O-C 3.58Å; G281-A284 WeakPolarHBondContact O-CA 3.48Å; G281-A284 PolarHBondContact O-N 2.86Å; K282-A284 PolarHBondContact O-N 3.22Å; A284-I286 VanDerWaalsContact C-N 3.27Å; A284-I286 HydrophobicContact CB-CD1 4.23Å; A284-I286 HydrophobicContact CB-CG1 4.2Å; A284-I286 PolarHBondContact O-N 2.92Å |
| 285 | G | 96.3 | Very high | 97 | Very high | 59 Ų | 59 | 60.7 Ų | 60.7 | 61% | 0.608 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 14.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | G281 K282 | G281-G285 PolarHBondContact O-N 2.89Å; K282-G285 PolarHBondContact O-N 3.22Å; K282-G285 VanDerWaalsContact O-N 3.13Å |
| 286 | I | 97.4 | Very high | 96.9 | Very high | 11 Ų | 11 | 59.9 Ų | 59.9 | 6% | 0.056 | 34% | 0.344 | C | S | . | . | trans | -88 | 111.7 | 175.3 | -55.2 | 174.5 | 0 | 0 | 0 | 107.9 | K181 V183 G281 K282 A284 N305 D308 | K181-I286 HydrophobicContact CD-CD1 3.75Å; V183-I286 HydrophobicContact CG2-CD1 4.14Å; G281-I286 CarbonylContact C-O 3.12Å; G281-I286 VanDerWaalsContact C-O 3.26Å; G281-I286 WeakPolarHBondContact O-CB 3.25Å; G281-I286 PolarHBondContact O-N 3.47Å; K282-I286 PolarHBondContact N-O 3.11Å; A284-I286 VanDerWaalsContact C-N 3.27Å; A284-I286 HydrophobicContact CB-CD1 4.23Å; A284-I286 HydrophobicContact CB-CG1 4.2Å; A284-I286 PolarHBondContact O-N 2.92Å; I286-N305 WeakPolarHBondContact CD1-O 3.14Å; I286-N305 WeakPolarHBondContact CG1-O 3.46Å; I286-D308 HydrophobicContact CG2-CB 4.31Å; I286-D308 VanDerWaalsContact CG2-N 3.3Å | ||
| 287 | L | 95 | Very high | 96.7 | Very high | 130 Ų | 130 | 63.2 Ų | 63.2 | 68% | 0.681 | 37% | 0.365 | S | S | * | . | trans | -113.9 | -12.6 | -175.5 | -58 | 179.7 | 0 | 0 | 0 | 113.3 | K282 P289 | K282-L287 HydrophobicContact CB-CD2 4.47Å; K282-L287 HydrophobicContact CG-CD2 4.03Å; L287-P289 WeakPolarHBondContact O-CD 3.44Å | ||
| 288 | E | 97.6 | Very high | 96.3 | Very high | 125 Ų | 125 | 62.8 Ų | 62.8 | 58% | 0.584 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -74.8 | 120.8 | 179 | -168.8 | 62.9 | -148 | 0 | 0 | 109 | D306 M307 D308 | E288-D306 WeakPolarHBondContact CB-O 3.34Å; E288-M307 HydrophobicContact CG-CG 4.33Å; E288-D308 WeakPolarHBondContact O-CB 3.36Å; E288-D308 PolarHBondContact O-N 2.79Å |
| 289 | P | 97.8 | Very high | 96.2 | Very high | 80 Ų | 80 | 64.7 Ų | 64.7 | 52% | 0.519 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 156.1 | 176.8 | -21 | 33.8 | 0 | 0 | 0 | 112.2 | L287 D291 | L287-P289 WeakPolarHBondContact O-CD 3.44Å; P289-D291 PolarHBondContact O-N 3.09Å |
| 290 | N | 98.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 128.9 | 170.9 | -163.3 | -74.7 | 0 | 0 | 0 | 110.4 | E292 P310 Q314 | N290-E292 PolarHBondContact OD1-N 3.38Å; N290-P310 HydrophobicContact CB-CB 4.12Å; N290-Q314 PolarHBondContact O-NE2 3.19Å |
| 291 | D | 97.6 | Very high | 96.1 | Very high | 64 Ų | 64 | 63.9 Ų | 63.9 | 34% | 0.342 | 37% | 0.369 | S | S | . | . | trans | -89.7 | -1.2 | -175.7 | 71.1 | -7.2 | 0 | 0 | 0 | 114.4 | P289 L293 H295 M307 | P289-D291 PolarHBondContact O-N 3.09Å; D291-L293 PolarHBondContact O-N 2.92Å; D291-L293 PolarHBondContact OD1-N 3.48Å; D291-H295 IonicContact OD1-CD2 2.74Å; D291-H295 PolarHBondContact OD1-CD2 3.3Å; D291-H295 IonicContact OD1-NE2 3.84Å; D291-H295 PolarHBondContact OD1-NE2 3.23Å; D291-H295 IonicContact OD2-CD2 3.64Å; D291-H295 IonicContact OD2-CE1 2.78Å; D291-H295 PolarHBondContact OD2-CE1 2.92Å; D291-H295 IonicContact OD2-NE2 3.42Å; D291-H295 PolarHBondContact OD2-NE2 3.28Å; D291-M307 HydrophobicContact CB-SD 4.19Å | ||
| 292 | E | 97.4 | Very high | 96 | Very high | 41 Ų | 41 | 69.9 Ų | 69.9 | 19% | 0.192 | 40% | 0.398 | C | S | . | . | S | Bend | trans | 62 | 24.9 | 180 | -51.2 | 165.4 | -143.6 | 0 | 0 | 113.7 | M248 V252 N290 Q314 M317 Q318 | M248-E292 HydrophobicContact CE-CG 4.14Å; M248-E292 HydrophobicContact SD-CB 4.43Å; V252-E292 WeakPolarHBondContact CG1-O 3.41Å; N290-E292 PolarHBondContact OD1-N 3.38Å; E292-Q314 HydrophobicContact CG-CB 4.15Å; E292-Q314 HydrophobicContact CG-CG 4.27Å; E292-Q314 VanDerWaalsContact OE1-CG 3.27Å; E292-Q314 WeakPolarHBondContact OE1-CG 3.36Å; E292-Q314 PolarHBondContact OE1-NE2 3.02Å; E292-M317 WeakPolarHBondContact OE2-CE 3.32Å; E292-Q318 HydrophobicContact CB-CG 4.04Å; E292-Q318 HydrophobicContact CG-CG 4.32Å; E292-Q318 PolarHBondContact OE2-NE2 3.27Å |
| 293 | L | 97.5 | Very high | 96 | Very high | 102 Ų | 102 | 66.3 Ų | 66.3 | 53% | 0.534 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -109.4 | 165.1 | 177.7 | -59.2 | 179.4 | 0 | 0 | 0 | 112.4 | Q249 V252 D291 H295 | Q249-L293 PolarHBondContact NE2-O 3.01Å; V252-L293 WeakPolarHBondContact CG2-O 3.48Å; D291-L293 PolarHBondContact O-N 2.92Å; D291-L293 PolarHBondContact OD1-N 3.48Å; L293-H295 PolarHBondContact O-CD2 2.9Å; L293-H295 VanDerWaalsContact O-CD2 3.26Å |
| 294 | C | 97.7 | Very high | 95.9 | Very high | 49 Ų | 49 | 60.3 Ų | 60.3 | 33% | 0.331 | 35% | 0.351 | S | S | . | . | trans | -83.3 | 120 | 178.9 | -179.7 | 0 | 0 | 0 | 0 | 111.8 | V252 C253 | V252-C294 HydrophobicContact CG2-CB 4.16Å; C253-C294 VanDerWaalsContact CA-SG 3.51Å; C253-C294 HydrophobicContact CB-CB 3.99Å; C253-C294 WeakPolarHBondContact CB-SG 3.36Å; C253-C294 WeakPolarHBondContact SG-CA 3.42Å; C253-C294 WeakPolarHBondContact SG-CB 3.32Å; C253-C294 CovalentContact SG-SG 2.03Å; C253-C294 PolarHBondContact SG-SG 3.35Å | ||
| 295 | H | 97.2 | Very high | 96 | Very high | 45 Ų | 45 | 61.6 Ų | 61.6 | 21% | 0.208 | 35% | 0.354 | C | S | . | . | trans | -128.5 | 46.5 | -177.7 | -64.1 | -75 | 0 | 0 | 0 | 112.2 | D291 L293 Y301 E302 K303 M307 | D291-H295 IonicContact OD1-CD2 2.74Å; D291-H295 PolarHBondContact OD1-CD2 3.3Å; D291-H295 IonicContact OD1-NE2 3.84Å; D291-H295 PolarHBondContact OD1-NE2 3.23Å; D291-H295 IonicContact OD2-CD2 3.64Å; D291-H295 IonicContact OD2-CE1 2.78Å; D291-H295 PolarHBondContact OD2-CE1 2.92Å; D291-H295 IonicContact OD2-NE2 3.42Å; D291-H295 PolarHBondContact OD2-NE2 3.28Å; L293-H295 PolarHBondContact O-CD2 2.9Å; L293-H295 VanDerWaalsContact O-CD2 3.26Å; H295-Y301 HydrophobicContact CB-CD2 3.97Å; H295-Y301 HydrophobicContact CB-CE2 3.81Å; H295-E302 PolarHBondContact O-N 2.9Å; H295-E302 VanDerWaalsContact O-N 3.07Å; H295-K303 HydrophobicContact CB-CB 3.98Å; H295-K303 HydrophobicContact CB-CG 3.83Å; H295-M307 WeakPolarHBondContact CD2-CE 3.42Å; H295-M307 WeakPolarHBondContact NE2-CE 3.35Å | ||
| 296 | M | 94.2 | Very high | 96 | Very high | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.025 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 125.2 | 176.2 | -111.1 | -172 | -72.3 | 0 | 0 | 111.4 | Y211 H213 C253 K256 I257 L300 | Y211-M296 HydrophobicContact CE1-CE 3.98Å; Y211-M296 HydrophobicContact CE1-CG 4.46Å; Y211-M296 HydrophobicContact CE1-SD 3.91Å; H213-M296 HydrophobicContact CB-CE 4.5Å; H213-M296 HydrophobicContact CB-SD 3.44Å; H213-M296 WeakPolarHBondContact CB-SD 3.47Å; C253-M296 HydrophobicContact CB-CE 3.21Å; C253-M296 WeakPolarHBondContact SG-CE 3.33Å; K256-M296 HydrophobicContact CB-CE 4.25Å; K256-M296 HydrophobicContact CD-CB 3.71Å; K256-M296 HydrophobicContact CD-CE 4.28Å; K256-M296 HydrophobicContact CD-SD 4.42Å; K256-M296 PolarHBondContact NZ-O 2.81Å; I257-M296 HydrophobicContact CD1-CE 4.14Å; M296-L300 CarbonylContact C-O 3.5Å; M296-L300 VanDerWaalsContact CA-O 3.29Å; M296-L300 WeakPolarHBondContact CA-O 3.47Å |
| 297 | T | 93.4 | Very high | 96.1 | Very high | 82 Ų | 82 | 62.8 Ų | 62.8 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 126.5 | 171.9 | -59.8 | 0 | 0 | 0 | 0 | 108.6 | N299 L300 E302 | T297-N299 PolarHBondContact O-N 3.29Å; T297-L300 PolarHBondContact N-O 3.49Å; T297-L300 PolarHBondContact O-N 3.14Å; T297-E302 WeakPolarHBondContact CB-OE2 3.2Å; T297-E302 PolarHBondContact OG1-OE2 2.85Å |
| 298 | G | 89.4 | Confident | 96.2 | Very high | 70 Ų | 70 | 57.3 Ų | 57.3 | 72% | 0.722 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 34.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L300 | G298-L300 PolarHBondContact O-N 2.65Š|
| 299 | N | 94 | Very high | 96.3 | Very high | 81 Ų | 81 | 51.4 Ų | 51.4 | 43% | 0.433 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 11.4 | -174.9 | -54.1 | -28.4 | 0 | 0 | 0 | 116.2 | R212 H213 T297 | R212-N299 CarbonylContact C-O 3.53Å; R212-N299 WeakPolarHBondContact CA-O 3.26Å; H213-N299 HydrophobicContact CB-CB 4.12Å; H213-N299 PolarHBondContact N-O 3.2Å; H213-N299 WeakPolarHBondContact O-CB 3.45Å; T297-N299 PolarHBondContact O-N 3.29Å |
| 300 | L | 96.3 | Very high | 96.3 | Very high | 71 Ų | 71 | 47.6 Ų | 47.6 | 37% | 0.372 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 146.8 | 173.5 | -76.5 | 165.3 | 0 | 0 | 0 | 110.4 | F209 R212 M296 T297 G298 E302 | F209-L300 HydrophobicContact CB-CD2 4.48Å; R212-L300 HydrophobicContact CB-CD2 3.88Å; R212-L300 HydrophobicContact CG-CD2 3.89Å; R212-L300 HydrophobicContact CG-CG 4.49Å; M296-L300 CarbonylContact C-O 3.5Å; M296-L300 VanDerWaalsContact CA-O 3.29Å; M296-L300 WeakPolarHBondContact CA-O 3.47Å; T297-L300 PolarHBondContact N-O 3.49Å; T297-L300 PolarHBondContact O-N 3.14Å; G298-L300 PolarHBondContact O-N 2.65Å; L300-E302 PolarHBondContact O-N 3.46Å |
| 301 | Y | 97.3 | Very high | 96.3 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 4% | 0.043 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 101.4 | 169.5 | 178.3 | -148.4 | 0 | 0 | 0 | 110 | Y211 D245 Q249 H295 K303 S304 M307 | Y211-Y301 PolarHBondContact O-N 3.21Å; D245-Y301 HydrophobicContact CB-CD1 4.45Å; D245-Y301 HydrophobicContact CB-CE1 4.09Å; Q249-Y301 HydrophobicContact CG-CD1 4.3Å; Q249-Y301 HydrophobicContact CG-CD2 3.76Å; Q249-Y301 HydrophobicContact CG-CE2 4.03Å; Q249-Y301 HydrophobicContact CG-CG 3.93Å; H295-Y301 HydrophobicContact CB-CD2 3.97Å; H295-Y301 HydrophobicContact CB-CE2 3.81Å; Y301-K303 HydrophobicContact CD2-CB 4.4Å; Y301-K303 HydrophobicContact CE2-CB 3.72Å; Y301-S304 VanDerWaalsContact CD1-CB 3.45Å; Y301-M307 HydrophobicContact CE2-CE 4.16Å; Y301-M307 WeakPolarHBondContact OH-CE 3.49Å |
| 302 | E | 94.9 | Very high | 96.2 | Very high | 126 Ų | 126 | 47 Ų | 47 | 59% | 0.589 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -73 | -34.2 | -172.1 | -175.1 | 174.2 | -166.9 | 0 | 0 | 112.1 | H295 T297 L300 S304 | H295-E302 PolarHBondContact O-N 2.9Å; H295-E302 VanDerWaalsContact O-N 3.07Å; T297-E302 WeakPolarHBondContact CB-OE2 3.2Å; T297-E302 PolarHBondContact OG1-OE2 2.85Å; L300-E302 PolarHBondContact O-N 3.46Å; E302-S304 VanDerWaalsContact C-N 3.27Å; E302-S304 PolarHBondContact O-N 3.02Å |
| 303 | K | 95.8 | Very high | 96.1 | Very high | 76 Ų | 76 | 47.5 Ų | 47.5 | 33% | 0.33 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -86.1 | 11.8 | -177.9 | -68.4 | -68.6 | -176.8 | -179.7 | 0 | 114.7 | H295 Y301 N305 D306 M307 | H295-K303 HydrophobicContact CB-CB 3.98Å; H295-K303 HydrophobicContact CB-CG 3.83Å; Y301-K303 HydrophobicContact CD2-CB 4.4Å; Y301-K303 HydrophobicContact CE2-CB 3.72Å; K303-N305 PolarHBondContact O-N 3.47Å; K303-N305 VanDerWaalsContact O-N 3.16Å; K303-D306 HydrophobicContact CB-CB 4.48Å; K303-D306 HydrophobicContact CD-CB 3.77Å; K303-D306 WeakPolarHBondContact CD-OD2 3.45Å; K303-D306 IonicContact NZ-OD2 2.75Å; K303-D306 PolarHBondContact NZ-OD2 3.05Å; K303-D306 PolarHBondContact O-N 2.83Å; K303-M307 HydrophobicContact CB-CE 3.34Å; K303-M307 HydrophobicContact CB-CG 4.5Å; K303-M307 HydrophobicContact CG-CE 3.95Å; K303-M307 PolarHBondContact O-N 3.47Å; K303-M307 VanDerWaalsContact O-N 3.11Å |
| 304 | S | 95.3 | Very high | 96.1 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -55.1 | -35.6 | -177.2 | -173.8 | 0 | 0 | 0 | 0 | 114 | K181 Y301 E302 | K181-S304 WeakPolarHBondContact CD-O 3.22Å; K181-S304 WeakPolarHBondContact CG-O 3.41Å; K181-S304 PolarHBondContact NZ-O 3.46Å; Y301-S304 VanDerWaalsContact CD1-CB 3.45Å; E302-S304 VanDerWaalsContact C-N 3.27Å; E302-S304 PolarHBondContact O-N 3.02Å |
| 305 | N | 96 | Very high | 96.1 | Very high | 55 Ų | 55 | 42 Ų | 42 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -97.8 | -4.6 | 180 | -60.2 | -17.2 | 0 | 0 | 0 | 113.5 | T182 V183 I286 K303 | T182-N305 PolarHBondContact N-OD1 3.37Å; T182-N305 PolarHBondContact OG1-ND2 2.83Å; T182-N305 PolarHBondContact OG1-OD1 3.22Å; V183-N305 HydrophobicContact CG1-CB 3.97Å; I286-N305 WeakPolarHBondContact CD1-O 3.14Å; I286-N305 WeakPolarHBondContact CG1-O 3.46Å; K303-N305 PolarHBondContact O-N 3.47Å; K303-N305 VanDerWaalsContact O-N 3.16Å |
| 306 | D | 96.8 | Very high | 96 | Very high | 85 Ų | 85 | 40.4 Ų | 40.4 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -30.3 | -177.6 | -71.7 | -9.9 | 0 | 0 | 0 | 111.9 | E288 K303 | E288-D306 WeakPolarHBondContact CB-O 3.34Å; K303-D306 HydrophobicContact CB-CB 4.48Å; K303-D306 HydrophobicContact CD-CB 3.77Å; K303-D306 WeakPolarHBondContact CD-OD2 3.45Å; K303-D306 IonicContact NZ-OD2 2.75Å; K303-D306 PolarHBondContact NZ-OD2 3.05Å; K303-D306 PolarHBondContact O-N 2.83Å |
| 307 | M | 97.8 | Very high | 95.9 | Very high | 11 Ų | 11 | 44.9 Ų | 44.9 | 5% | 0.054 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -119 | 144.8 | -177.7 | -63.1 | -171.2 | -72 | 0 | 0 | 111.7 | K181 E288 D291 H295 Y301 K303 | K181-M307 PolarHBondContact NZ-O 3.35Å; E288-M307 HydrophobicContact CG-CG 4.33Å; D291-M307 HydrophobicContact CB-SD 4.19Å; H295-M307 WeakPolarHBondContact CD2-CE 3.42Å; H295-M307 WeakPolarHBondContact NE2-CE 3.35Å; Y301-M307 HydrophobicContact CE2-CE 4.16Å; Y301-M307 WeakPolarHBondContact OH-CE 3.49Å; K303-M307 HydrophobicContact CB-CE 3.34Å; K303-M307 HydrophobicContact CB-CG 4.5Å; K303-M307 HydrophobicContact CG-CE 3.95Å; K303-M307 PolarHBondContact O-N 3.47Å; K303-M307 VanDerWaalsContact O-N 3.11Å |
| 308 | D | 98.4 | Very high | 95.9 | Very high | 15 Ų | 15 | 41.6 Ų | 41.6 | 8% | 0.08 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 164 | 176 | -162 | 3.3 | 0 | 0 | 0 | 110.7 | G279 G281 I286 E288 | G279-D308 WeakPolarHBondContact CA-OD2 3.2Å; G279-D308 PolarHBondContact N-OD2 2.94Å; G281-D308 WeakPolarHBondContact CA-OD1 3.48Å; G281-D308 PolarHBondContact N-OD1 3.41Å; I286-D308 HydrophobicContact CG2-CB 4.31Å; I286-D308 VanDerWaalsContact CG2-N 3.3Å; E288-D308 WeakPolarHBondContact O-CB 3.36Å; E288-D308 PolarHBondContact O-N 2.79Å |
| 309 | Y | 98.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 149.6 | 171.2 | -56.1 | -85.3 | 0 | 0 | 0 | 109.9 | D180 K181 H276 A278 D280 | D180-Y309 VanDerWaalsContact OD1-CE1 3.32Å; D180-Y309 WeakPolarHBondContact OD1-CE1 3.38Å; D180-Y309 PolarHBondContact OD1-OH 2.95Å; D180-Y309 PolarHBondContact OD2-OH 3.19Å; K181-Y309 HydrophobicContact CD-CD2 4.44Å; K181-Y309 HydrophobicContact CD-CE1 3.91Å; K181-Y309 HydrophobicContact CD-CE2 3.77Å; K181-Y309 VanDerWaalsContact CD-CZ 3.48Å; K181-Y309 VanDerWaalsContact CE-CE1 3.46Å; K181-Y309 HydrophobicContact CG-CE1 3.84Å; K181-Y309 HydrophobicContact CG-CE2 4.49Å; K181-Y309 WeakPolarHBondContact CG-OH 3.22Å; H276-Y309 HydrophobicContact CB-CD1 3.7Å; H276-Y309 HydrophobicContact CB-CD2 3.71Å; H276-Y309 HydrophobicContact CB-CE1 3.52Å; H276-Y309 HydrophobicContact CB-CE2 3.54Å; H276-Y309 HydrophobicContact CB-CG 3.78Å; H276-Y309 VanDerWaalsContact CB-CZ 3.42Å; H276-Y309 AromaticContact CD2-CZ 3.82Å; H276-Y309 AromaticContact CG-CE2 3.89Å; H276-Y309 AromaticContact CG-CZ 3.71Å; A278-Y309 VanDerWaalsContact CA-O 3.26Å; A278-Y309 WeakPolarHBondContact CA-O 3.48Å; A278-Y309 WeakPolarHBondContact CB-O 3.27Å; A278-Y309 PolarHBondContact N-O 3.05Å; D280-Y309 HydrophobicContact CB-CD2 4.07Å; D280-Y309 HydrophobicContact CB-CE2 4.11Å |
| 310 | P | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 149.2 | 174.6 | 30.2 | -37.1 | 0 | 0 | 0 | 110.7 | L244 D245 M248 A278 N290 | L244-P310 HydrophobicContact CB-CG 3.73Å; L244-P310 WeakPolarHBondContact O-CG 3.35Å; D245-P310 WeakPolarHBondContact OD1-CD 3.43Å; M248-P310 HydrophobicContact CB-CB 4.4Å; M248-P310 HydrophobicContact CB-CG 4.01Å; M248-P310 HydrophobicContact CE-CB 3.61Å; M248-P310 HydrophobicContact CE-CG 4.39Å; M248-P310 HydrophobicContact CG-CB 4.46Å; A278-P310 PolarHBondContact N-O 3.21Å; N290-P310 HydrophobicContact CB-CB 4.12Å |
| 311 | S | 97.8 | Very high | 95.5 | Very high | 38 Ų | 38 | 42.8 Ų | 42.8 | 27% | 0.266 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -72.5 | 156.4 | 167.3 | 70.9 | 0 | 0 | 0 | 0 | 110.4 | G313 Q314 L315 | S311-G313 PolarHBondContact O-N 2.88Å; S311-Q314 PolarHBondContact O-N 2.74Å; S311-Q314 VanDerWaalsContact OG-CG 3.23Å; S311-Q314 WeakPolarHBondContact OG-CG 3.11Å; S311-Q314 PolarHBondContact OG-N 3.44Å; S311-Q314 PolarHBondContact OG-OE1 3.08Å; S311-L315 PolarHBondContact O-N 3.15Å |
| 312 | V | 96.9 | Very high | 95.2 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 11% | 0.109 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.2 | -37.2 | 175.2 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | L244 F275 L315 A316 L341 M344 I345 | L244-V312 HydrophobicContact CD1-CG2 4.45Å; F275-V312 HydrophobicContact CE2-CG2 4.47Å; V312-L315 PolarHBondContact O-N 2.9Å; V312-A316 WeakPolarHBondContact O-CB 3.46Å; V312-A316 PolarHBondContact O-N 2.83Å; V312-L341 HydrophobicContact CB-CD1 4.29Å; V312-L341 HydrophobicContact CG1-CD1 3.49Å; V312-L341 VanDerWaalsContact CG1-CD1 3.49Å; V312-L341 HydrophobicContact CG2-CD1 3.78Å; V312-M344 HydrophobicContact CG1-CB 3.73Å; V312-M344 HydrophobicContact CG1-CE 4.1Å; V312-M344 HydrophobicContact CG1-SD 4.05Å; V312-I345 HydrophobicContact CG1-CD1 4.47Å; V312-I345 HydrophobicContact CG1-CG1 4.12Å |
| 313 | G | 95.6 | Very high | 94.9 | Very high | 50 Ų | 50 | 40.7 Ų | 40.7 | 52% | 0.515 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.9 | -43.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | S311 L315 A316 M317 | S311-G313 PolarHBondContact O-N 2.88Å; G313-L315 VanDerWaalsContact C-N 3.34Å; G313-L315 PolarHBondContact O-N 3.4Å; G313-A316 PolarHBondContact O-N 3.09Å; G313-M317 WeakPolarHBondContact O-CB 3.27Å; G313-M317 PolarHBondContact O-N 3.46Å |
| 314 | Q | 96.8 | Very high | 94.7 | Very high | 37 Ų | 37 | 37.3 Ų | 37.3 | 17% | 0.173 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61 | -45 | 175.1 | -71.7 | 176.7 | -64.2 | 0 | 0 | 111.1 | M248 N290 E292 S311 M317 Q318 | M248-Q314 HydrophobicContact CE-CB 3.96Å; N290-Q314 PolarHBondContact O-NE2 3.19Å; E292-Q314 HydrophobicContact CG-CB 4.15Å; E292-Q314 HydrophobicContact CG-CG 4.27Å; E292-Q314 VanDerWaalsContact OE1-CG 3.27Å; E292-Q314 WeakPolarHBondContact OE1-CG 3.36Å; E292-Q314 PolarHBondContact OE1-NE2 3.02Å; S311-Q314 PolarHBondContact O-N 2.74Å; S311-Q314 VanDerWaalsContact OG-CG 3.23Å; S311-Q314 WeakPolarHBondContact OG-CG 3.11Å; S311-Q314 PolarHBondContact OG-N 3.44Å; S311-Q314 PolarHBondContact OG-OE1 3.08Å; Q314-M317 PolarHBondContact O-N 2.84Å; Q314-Q318 WeakPolarHBondContact O-CG 3.26Å; Q314-Q318 PolarHBondContact O-N 3.3Å |
| 315 | L | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.7 | -46.1 | 177.2 | 179.7 | 61.9 | 0 | 0 | 0 | 111.7 | L244 M247 M248 S311 V312 G313 M317 Q318 L319 I345 | L244-L315 HydrophobicContact CB-CD2 4.43Å; L244-L315 HydrophobicContact CD2-CD2 3.73Å; M247-L315 HydrophobicContact CB-CD1 3.87Å; M247-L315 HydrophobicContact CB-CD2 4.17Å; M247-L315 HydrophobicContact CE-CD2 4.14Å; M247-L315 HydrophobicContact SD-CD2 4.14Å; M248-L315 HydrophobicContact CB-CD1 4.44Å; M248-L315 HydrophobicContact CE-CB 4.34Å; S311-L315 PolarHBondContact O-N 3.15Å; V312-L315 PolarHBondContact O-N 2.9Å; G313-L315 VanDerWaalsContact C-N 3.34Å; G313-L315 PolarHBondContact O-N 3.4Å; L315-M317 VanDerWaalsContact C-N 3.31Å; L315-M317 PolarHBondContact O-N 2.98Å; L315-Q318 PolarHBondContact O-N 2.81Å; L315-L319 HydrophobicContact CD1-CD1 3.96Å; L315-L319 HydrophobicContact CD1-CD2 4.44Å; L315-L319 HydrophobicContact CD1-CG 3.92Å; L315-L319 HydrophobicContact CD2-CD1 4.42Å; L315-L319 HydrophobicContact CG-CD1 3.77Å; L315-L319 HydrophobicContact CG-CG 4.21Å; L315-L319 WeakPolarHBondContact O-CB 3.37Å; L315-L319 VanDerWaalsContact O-CG 3.25Å; L315-L319 WeakPolarHBondContact O-CG 3.4Å; L315-L319 PolarHBondContact O-N 3.04Å; L315-I345 HydrophobicContact CD2-CD1 4.08Å; L315-I345 HydrophobicContact CG-CD1 4.47Å |
| 316 | A | 94.8 | Very high | 94.6 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.6 | -45.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V312 G313 L319 E320 I345 | V312-A316 WeakPolarHBondContact O-CB 3.46Å; V312-A316 PolarHBondContact O-N 2.83Å; G313-A316 PolarHBondContact O-N 3.09Å; A316-L319 PolarHBondContact O-N 3.2Å; A316-E320 WeakPolarHBondContact O-CB 3.32Å; A316-E320 PolarHBondContact O-N 2.84Å; A316-I345 HydrophobicContact CB-CG1 4.18Å |
| 317 | M | 92.1 | Very high | 94.5 | Very high | 98 Ų | 98 | 30.7 Ų | 30.7 | 48% | 0.483 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 178.6 | -176.6 | 175.8 | 70.6 | 0 | 0 | 112.2 | E292 G313 Q314 L315 E320 K321 | E292-M317 WeakPolarHBondContact OE2-CE 3.32Å; G313-M317 WeakPolarHBondContact O-CB 3.27Å; G313-M317 PolarHBondContact O-N 3.46Å; Q314-M317 PolarHBondContact O-N 2.84Å; L315-M317 VanDerWaalsContact C-N 3.31Å; L315-M317 PolarHBondContact O-N 2.98Å; M317-E320 PolarHBondContact O-N 2.75Å; M317-K321 VanDerWaalsContact O-CB 3.25Å; M317-K321 WeakPolarHBondContact O-CB 3.46Å; M317-K321 PolarHBondContact O-N 3.31Å |
| 318 | Q | 94.7 | Very high | 94.4 | Very high | 14 Ų | 14 | 30.1 Ų | 30.1 | 7% | 0.065 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.6 | -34.2 | -179.5 | -67.3 | -61.2 | -23 | 0 | 0 | 112.8 | M248 V252 E292 Q314 L315 N322 | M248-Q318 HydrophobicContact CE-CB 4.43Å; M248-Q318 HydrophobicContact CE-CG 4.13Å; M248-Q318 HydrophobicContact SD-CB 3.99Å; M248-Q318 HydrophobicContact SD-CG 3.82Å; V252-Q318 HydrophobicContact CG1-CB 4.21Å; V252-Q318 HydrophobicContact CG1-CG 4.12Å; E292-Q318 HydrophobicContact CB-CG 4.04Å; E292-Q318 HydrophobicContact CG-CG 4.32Å; E292-Q318 PolarHBondContact OE2-NE2 3.27Å; Q314-Q318 WeakPolarHBondContact O-CG 3.26Å; Q314-Q318 PolarHBondContact O-N 3.3Å; L315-Q318 PolarHBondContact O-N 2.81Å; Q318-N322 WeakPolarHBondContact O-CB 3.35Å; Q318-N322 PolarHBondContact O-N 3.06Å; Q318-N322 PolarHBondContact O-ND2 3.22Å |
| 319 | L | 93.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.9 | -45 | 172.2 | -72 | 170.9 | 0 | 0 | 0 | 111.2 | M247 A251 I267 L315 A316 N322 N323 I324 P326 I345 | M247-L319 HydrophobicContact CE-CD1 4.15Å; A251-L319 HydrophobicContact CB-CD2 4.2Å; I267-L319 HydrophobicContact CD1-CD2 4.31Å; L315-L319 HydrophobicContact CD1-CD1 3.96Å; L315-L319 HydrophobicContact CD1-CD2 4.44Å; L315-L319 HydrophobicContact CD1-CG 3.92Å; L315-L319 HydrophobicContact CD2-CD1 4.42Å; L315-L319 HydrophobicContact CG-CD1 3.77Å; L315-L319 HydrophobicContact CG-CG 4.21Å; L315-L319 WeakPolarHBondContact O-CB 3.37Å; L315-L319 VanDerWaalsContact O-CG 3.25Å; L315-L319 WeakPolarHBondContact O-CG 3.4Å; L315-L319 PolarHBondContact O-N 3.04Å; A316-L319 PolarHBondContact O-N 3.2Å; L319-N322 CarbonylContact O-C 3.58Å; L319-N322 PolarHBondContact O-N 3.44Å; L319-N323 PolarHBondContact O-N 3.39Å; L319-I324 HydrophobicContact CD2-CB 3.84Å; L319-I324 HydrophobicContact CD2-CG2 3.69Å; L319-I324 PolarHBondContact O-N 2.88Å; L319-P326 HydrophobicContact CD1-CG 3.95Å; L319-I345 HydrophobicContact CD1-CD1 4.45Å; L319-I345 HydrophobicContact CD1-CG2 3.77Å |
| 320 | E | 88.4 | Confident | 93.9 | Very high | 92 Ų | 92 | 29.4 Ų | 29.4 | 43% | 0.43 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.2 | -50.8 | 176.9 | -177.2 | 172.4 | -168.4 | 0 | 0 | 111.6 | A316 M317 N322 N323 L439 | A316-E320 WeakPolarHBondContact O-CB 3.32Å; A316-E320 PolarHBondContact O-N 2.84Å; M317-E320 PolarHBondContact O-N 2.75Å; E320-N322 PolarHBondContact O-N 2.94Å; E320-N323 PolarHBondContact O-N 3.04Å; E320-L439 HydrophobicContact CG-CD2 4.27Å; E320-L439 VanDerWaalsContact OE1-CD2 3.26Å; E320-L439 WeakPolarHBondContact OE1-CD2 3.27Å |
| 321 | K | 88 | Confident | 93.6 | Very high | 151 Ų | 151 | 29.9 Ų | 29.9 | 66% | 0.657 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -55.6 | -36.7 | 178.3 | -177.3 | -178.8 | 177.3 | -174.3 | 0 | 112.6 | M317 | M317-K321 VanDerWaalsContact O-CB 3.25Å; M317-K321 WeakPolarHBondContact O-CB 3.46Å; M317-K321 PolarHBondContact O-N 3.31Å |
| 322 | N | 90.6 | Very high | 93.3 | Very high | 39 Ų | 39 | 33.6 Ų | 33.6 | 21% | 0.209 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 7.2 | 179.6 | -66.3 | -70.4 | 0 | 0 | 0 | 113.5 | R265 Q318 L319 E320 I324 | R265-N322 WeakPolarHBondContact CD-O 3.49Å; R265-N322 PolarHBondContact NH1-O 3.02Å; Q318-N322 WeakPolarHBondContact O-CB 3.35Å; Q318-N322 PolarHBondContact O-N 3.06Å; Q318-N322 PolarHBondContact O-ND2 3.22Å; L319-N322 CarbonylContact O-C 3.58Å; L319-N322 PolarHBondContact O-N 3.44Å; E320-N322 PolarHBondContact O-N 2.94Å; N322-I324 VanDerWaalsContact C-N 3.3Å; N322-I324 HydrophobicContact CB-CD1 3.83Å; N322-I324 HydrophobicContact CB-CG1 4.08Å; N322-I324 WeakPolarHBondContact O-CG1 3.33Å; N322-I324 PolarHBondContact O-N 3.35Å |
| 323 | N | 88.8 | Confident | 93 | Very high | 53 Ų | 53 | 38.6 Ų | 38.6 | 28% | 0.283 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 40 | -179.3 | -67.1 | -46.6 | 0 | 0 | 0 | 114.1 | L319 E320 | L319-N323 PolarHBondContact O-N 3.39Å; E320-N323 PolarHBondContact O-N 3.04Å |
| 324 | I | 92.8 | Very high | 92.9 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131.3 | -178.2 | -60.3 | 171.8 | 0 | 0 | 0 | 110.1 | A251 W259 R265 I267 L319 N322 | A251-I324 HydrophobicContact CB-CD1 3.92Å; W259-I324 HydrophobicContact CZ2-CD1 4.15Å; R265-I324 HydrophobicContact CB-CB 4.46Å; R265-I324 HydrophobicContact CB-CG1 3.95Å; I267-I324 HydrophobicContact CB-CG2 4.23Å; I267-I324 HydrophobicContact CD1-CG2 3.58Å; I267-I324 HydrophobicContact CG1-CG2 3.57Å; L319-I324 HydrophobicContact CD2-CB 3.84Å; L319-I324 HydrophobicContact CD2-CG2 3.69Å; L319-I324 PolarHBondContact O-N 2.88Å; N322-I324 VanDerWaalsContact C-N 3.3Å; N322-I324 HydrophobicContact CB-CD1 3.83Å; N322-I324 HydrophobicContact CB-CG1 4.08Å; N322-I324 WeakPolarHBondContact O-CG1 3.33Å; N322-I324 PolarHBondContact O-N 3.35Å |
| 325 | Q | 93.3 | Very high | 92.7 | Very high | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.028 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 114.9 | -178.3 | -55.9 | 175.8 | 41.3 | 0 | 0 | 109.4 | R265 L266 I267 K347 L371 G440 | R265-Q325 PolarHBondContact O-N 3.08Å; L266-Q325 WeakPolarHBondContact CA-O 3.24Å; L266-Q325 HydrophobicContact CD2-CB 4.01Å; I267-Q325 PolarHBondContact N-O 2.81Å; I267-Q325 VanDerWaalsContact N-O 3.08Å; Q325-K347 HydrophobicContact CG-CB 4.27Å; Q325-L371 HydrophobicContact CB-CD1 4.14Å; Q325-G440 PolarHBondContact NE2-O 2.86Å |
| 326 | P | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 139.1 | -179.1 | 33.5 | -34.2 | 0 | 0 | 0 | 112.1 | M247 I267 L319 F328 I345 S348 V349 | M247-P326 HydrophobicContact CE-CB 3.57Å; M247-P326 HydrophobicContact CE-CG 4.3Å; I267-P326 CarbonylContact O-C 3.48Å; I267-P326 WeakPolarHBondContact O-CA 3.27Å; L319-P326 HydrophobicContact CD1-CG 3.95Å; P326-F328 HydrophobicContact CB-CE1 4.18Å; P326-F328 HydrophobicContact CB-CZ 3.99Å; P326-F328 HydrophobicContact CG-CE2 4.32Å; P326-F328 HydrophobicContact CG-CZ 4.01Å; P326-I345 HydrophobicContact CG-CG2 3.93Å; P326-S348 WeakPolarHBondContact O-CA 3.11Å; P326-V349 PolarHBondContact O-N 3.43Å |
| 327 | I | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 112.2 | 171.3 | -59.6 | 172.2 | 0 | 0 | 0 | 106.3 | L266 I267 V268 L269 A329 V349 L363 A367 L371 | L266-I327 HydrophobicContact CD1-CD1 4.33Å; L266-I327 HydrophobicContact CD2-CD1 4.42Å; I267-I327 PolarHBondContact O-N 3.1Å; V268-I327 CarbonylContact C-O 3.22Å; V268-I327 WeakPolarHBondContact CA-O 3.39Å; V268-I327 HydrophobicContact CG2-CB 4.25Å; V268-I327 HydrophobicContact CG2-CD1 4.2Å; L269-I327 PolarHBondContact N-O 2.78Å; I327-A329 PolarHBondContact O-N 3.16Å; I327-V349 HydrophobicContact CB-CG1 4.31Å; I327-V349 HydrophobicContact CG1-CG1 3.91Å; I327-V349 HydrophobicContact CG2-CG1 4.21Å; I327-L363 HydrophobicContact CG2-CD2 3.68Å; I327-A367 HydrophobicContact CD1-CB 3.78Å; I327-A367 HydrophobicContact CG1-CB 4Å; I327-A367 HydrophobicContact CG2-CB 3.74Å; I327-L371 HydrophobicContact CD1-CD1 4.33Å; I327-L371 HydrophobicContact CG1-CD1 3.97Å |
| 328 | F | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 99 | 176.4 | -56.9 | -61.8 | 0 | 0 | 0 | 108.8 | M247 L269 P326 V330 Y338 L341 T342 I345 V349 V350 G351 | M247-F328 HydrophobicContact CE-CE1 3.86Å; M247-F328 HydrophobicContact CE-CZ 4.27Å; M247-F328 HydrophobicContact SD-CE1 3.93Å; L269-F328 HydrophobicContact CB-CD1 4.12Å; L269-F328 HydrophobicContact CD2-CD1 3.82Å; L269-F328 HydrophobicContact CD2-CE1 4.12Å; P326-F328 HydrophobicContact CB-CE1 4.18Å; P326-F328 HydrophobicContact CB-CZ 3.99Å; P326-F328 HydrophobicContact CG-CE2 4.32Å; P326-F328 HydrophobicContact CG-CZ 4.01Å; F328-V330 HydrophobicContact CB-CG1 4.22Å; F328-V330 PolarHBondContact O-N 3.08Å; F328-Y338 HydrophobicContact CB-CD1 3.9Å; F328-Y338 HydrophobicContact CB-CG 4.32Å; F328-Y338 AromaticContact CD1-CD1 3.66Å; F328-Y338 HydrophobicContact CD1-CD1 3.66Å; F328-Y338 AromaticContact CD1-CE1 4Å; F328-Y338 HydrophobicContact CD1-CE1 4Å; F328-Y338 HydrophobicContact CD2-CD1 4.35Å; F328-Y338 HydrophobicContact CE1-CD1 4.25Å; F328-Y338 HydrophobicContact CE1-CE1 4.48Å; F328-Y338 AromaticContact CG-CD1 3.71Å; F328-Y338 HydrophobicContact CG-CD1 3.71Å; F328-Y338 HydrophobicContact CG-CE1 4.48Å; F328-Y338 HydrophobicContact CG-CG 4.49Å; F328-L341 HydrophobicContact CE1-CD2 3.95Å; F328-L341 HydrophobicContact CE2-CD2 4.1Å; F328-L341 HydrophobicContact CE2-CG 4.34Å; F328-L341 HydrophobicContact CZ-CD2 3.62Å; F328-L341 HydrophobicContact CZ-CG 4.19Å; F328-T342 HydrophobicContact CD2-CG2 3.72Å; F328-T342 HydrophobicContact CE2-CG2 3.88Å; F328-I345 HydrophobicContact CZ-CD1 4.1Å; F328-V349 PolarHBondContact N-O 3.35Å; F328-V350 HydrophobicContact CB-CG1 4.46Å; F328-V350 HydrophobicContact CB-CG2 4.31Å; F328-V350 HydrophobicContact CD2-CG2 4.26Å; F328-V350 WeakPolarHBondContact O-CA 3.25Å; F328-G351 PolarHBondContact O-N 3.22Å; F328-G351 VanDerWaalsContact O-O 3.14Å |
| 329 | A | 93.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 88.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | V268 L269 A270 T271 I327 G351 L363 | V268-A329 HydrophobicContact CG1-CB 4.03Å; L269-A329 PolarHBondContact O-N 3.08Å; A270-A329 WeakPolarHBondContact CA-O 3.39Å; T271-A329 PolarHBondContact N-O 3.47Å; I327-A329 PolarHBondContact O-N 3.16Å; A329-G351 WeakPolarHBondContact CA-O 3.3Å; A329-L363 HydrophobicContact CB-CD1 3.98Å; A329-L363 HydrophobicContact CB-CD2 4.1Å |
| 330 | V | 93.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 152.9 | -169.1 | -55.4 | 0 | 0 | 0 | 0 | 112 | T271 F328 V334 Y338 V350 G351 V352 L353 | T271-V330 HydrophobicContact CG2-CG1 3.91Å; T271-V330 VanDerWaalsContact O-CA 3.3Å; T271-V330 WeakPolarHBondContact O-CA 3.39Å; F328-V330 HydrophobicContact CB-CG1 4.22Å; F328-V330 PolarHBondContact O-N 3.08Å; V330-V334 HydrophobicContact CB-CG2 3.82Å; V330-V334 HydrophobicContact CG2-CG2 4.14Å; V330-Y338 HydrophobicContact CB-CD2 4.15Å; V330-Y338 HydrophobicContact CB-CE2 4.38Å; V330-Y338 HydrophobicContact CG1-CD1 4.16Å; V330-Y338 HydrophobicContact CG1-CD2 3.74Å; V330-Y338 HydrophobicContact CG1-CE1 4.21Å; V330-Y338 HydrophobicContact CG1-CE2 3.78Å; V330-Y338 HydrophobicContact CG1-CG 3.92Å; V330-Y338 HydrophobicContact CG2-CD2 3.94Å; V330-Y338 HydrophobicContact CG2-CG 4.2Å; V330-V350 HydrophobicContact CG2-CG1 3.87Å; V330-G351 PolarHBondContact N-O 3.45Å; V330-V352 CarbonylContact O-C 3.59Å; V330-V352 WeakPolarHBondContact O-CA 3.37Å; V330-L353 PolarHBondContact O-N 3.33Å |
| 331 | T | 91 | Very high | 93 | Very high | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | trans | -68.1 | 161.7 | 176.4 | 54.8 | 0 | 0 | 0 | 0 | 112.2 | D272 N333 V334 N335 | D272-T331 VanDerWaalsContact CA-OG1 3.23Å; D272-T331 WeakPolarHBondContact CA-OG1 3.43Å; D272-T331 HydrophobicContact CB-CG2 3.59Å; D272-T331 PolarHBondContact O-OG1 2.7Å; T331-N333 VanDerWaalsContact C-N 3.26Å; T331-N333 WeakPolarHBondContact CB-OD1 3.46Å; T331-N333 PolarHBondContact O-N 3.19Å; T331-N333 PolarHBondContact OG1-OD1 3.39Å; T331-V334 PolarHBondContact O-N 3.4Å; T331-N335 PolarHBondContact O-N 3.45Å | ||
| 332 | E | 90.9 | Very high | 93.2 | Very high | 116 Ų | 116 | 37.7 Ų | 37.7 | 54% | 0.542 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -29.8 | -172.8 | -174.5 | 59.1 | -166.3 | 0 | 0 | 113.6 | V334 N335 V352 | E332-V334 VanDerWaalsContact C-N 3.26Å; E332-V334 PolarHBondContact O-N 2.97Å; E332-N335 WeakPolarHBondContact O-CB 3.4Å; E332-N335 PolarHBondContact O-N 2.95Å; E332-N335 PolarHBondContact OE2-ND2 3.36Å; E332-V352 HydrophobicContact CB-CG1 4.08Å; E332-V352 WeakPolarHBondContact OE2-CG1 3.25Å; E332-V352 VanDerWaalsContact OE2-CG2 3.27Å; E332-V352 WeakPolarHBondContact OE2-CG2 3.27Å |
| 333 | N | 90.2 | Very high | 93.2 | Very high | 123 Ų | 123 | 42.8 Ų | 42.8 | 66% | 0.658 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -28.1 | 179.9 | 53.1 | -65.9 | 0 | 0 | 0 | 113.5 | D272 T331 | D272-N333 PolarHBondContact O-ND2 2.95Å; T331-N333 VanDerWaalsContact C-N 3.26Å; T331-N333 WeakPolarHBondContact CB-OD1 3.46Å; T331-N333 PolarHBondContact O-N 3.19Å; T331-N333 PolarHBondContact OG1-OD1 3.39Å |
| 334 | V | 93.9 | Very high | 93.3 | Very high | 14 Ų | 14 | 45.5 Ų | 45.5 | 9% | 0.085 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -2 | -179.6 | -68 | 0 | 0 | 0 | 0 | 113.5 | V330 T331 E332 N336 V337 Y338 | V330-V334 HydrophobicContact CB-CG2 3.82Å; V330-V334 HydrophobicContact CG2-CG2 4.14Å; T331-V334 PolarHBondContact O-N 3.4Å; E332-V334 VanDerWaalsContact C-N 3.26Å; E332-V334 PolarHBondContact O-N 2.97Å; V334-N336 VanDerWaalsContact C-N 3.28Å; V334-N336 PolarHBondContact O-N 2.99Å; V334-N336 VanDerWaalsContact O-N 3.14Å; V334-V337 WeakPolarHBondContact O-CB 3.47Å; V334-V337 PolarHBondContact O-N 3.05Å; V334-Y338 HydrophobicContact CB-CD2 4.2Å; V334-Y338 HydrophobicContact CB-CE2 4.14Å; V334-Y338 HydrophobicContact CG2-CD2 4.24Å; V334-Y338 HydrophobicContact CG2-CE2 4.08Å; V334-Y338 WeakPolarHBondContact O-CD2 3.37Å; V334-Y338 PolarHBondContact O-N 3.18Å |
| 335 | N | 94.2 | Very high | 93.2 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.027 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -46.8 | -46.1 | 179.9 | -178.8 | 17.3 | 0 | 0 | 0 | 113.5 | T331 E332 V337 Y338 K339 V352 | T331-N335 PolarHBondContact O-N 3.45Å; E332-N335 WeakPolarHBondContact O-CB 3.4Å; E332-N335 PolarHBondContact O-N 2.95Å; E332-N335 PolarHBondContact OE2-ND2 3.36Å; N335-V337 VanDerWaalsContact C-N 3.32Å; N335-V337 PolarHBondContact O-N 3Å; N335-Y338 PolarHBondContact O-N 2.83Å; N335-K339 PolarHBondContact ND2-NZ 2.94Å; N335-K339 WeakPolarHBondContact O-CG 3.45Å; N335-K339 PolarHBondContact O-N 2.64Å; N335-K339 WeakPolarHBondContact OD1-CE 3.41Å; N335-K339 PolarHBondContact OD1-NZ 3.41Å; N335-V352 HydrophobicContact CB-CG2 4.46Å; N335-V352 WeakPolarHBondContact ND2-CG2 3.44Å |
| 336 | N | 94.9 | Very high | 92.7 | Very high | 113 Ų | 113 | 47.7 Ų | 47.7 | 60% | 0.604 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -65.1 | -34.8 | -179.1 | -69.9 | -28.5 | 0 | 0 | 0 | 112.9 | V334 K339 E340 | V334-N336 VanDerWaalsContact C-N 3.28Å; V334-N336 PolarHBondContact O-N 2.99Å; V334-N336 VanDerWaalsContact O-N 3.14Å; N336-K339 PolarHBondContact O-N 3.39Å; N336-E340 PolarHBondContact O-N 3.19Å |
| 337 | V | 94.4 | Very high | 92.3 | Very high | 74 Ų | 74 | 49.6 Ų | 49.6 | 45% | 0.448 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66 | -47.6 | 178.9 | -178.9 | 0 | 0 | 0 | 0 | 110 | F275 V334 N335 K339 E340 L341 | F275-V337 HydrophobicContact CE1-CG1 3.92Å; F275-V337 HydrophobicContact CZ-CG1 4.45Å; V334-V337 WeakPolarHBondContact O-CB 3.47Å; V334-V337 PolarHBondContact O-N 3.05Å; N335-V337 VanDerWaalsContact C-N 3.32Å; N335-V337 PolarHBondContact O-N 3Å; V337-K339 VanDerWaalsContact C-N 3.33Å; V337-K339 PolarHBondContact O-N 3.42Å; V337-E340 PolarHBondContact O-N 2.65Å; V337-L341 PolarHBondContact O-N 3.21Å; V337-L341 VanDerWaalsContact O-N 3.1Å |
| 338 | Y | 95.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.5 | -28.4 | 178.5 | -73.4 | -91 | 0 | 0 | 0 | 112.5 | L269 T271 A273 F275 F328 V330 V334 N335 E340 L341 T342 V350 | L269-Y338 HydrophobicContact CD2-CE1 3.82Å; T271-Y338 HydrophobicContact CG2-CE2 4.4Å; T271-Y338 VanDerWaalsContact CG2-OH 3.28Å; T271-Y338 WeakPolarHBondContact CG2-OH 3.4Å; A273-Y338 WeakPolarHBondContact O-CE2 3.28Å; A273-Y338 PolarHBondContact O-OH 3.03Å; A273-Y338 VanDerWaalsContact O-OH 3.11Å; F275-Y338 HydrophobicContact CD1-CD1 4.48Å; F275-Y338 AromaticContact CD1-CE1 3.75Å; F275-Y338 HydrophobicContact CD1-CE1 3.75Å; F275-Y338 HydrophobicContact CD1-CE2 4.21Å; F275-Y338 AromaticContact CD1-CZ 3.61Å; F275-Y338 HydrophobicContact CE1-CD1 4.34Å; F275-Y338 HydrophobicContact CE1-CE1 4.04Å; F328-Y338 HydrophobicContact CB-CD1 3.9Å; F328-Y338 HydrophobicContact CB-CG 4.32Å; F328-Y338 AromaticContact CD1-CD1 3.66Å; F328-Y338 HydrophobicContact CD1-CD1 3.66Å; F328-Y338 AromaticContact CD1-CE1 4Å; F328-Y338 HydrophobicContact CD1-CE1 4Å; F328-Y338 HydrophobicContact CD2-CD1 4.35Å; F328-Y338 HydrophobicContact CE1-CD1 4.25Å; F328-Y338 HydrophobicContact CE1-CE1 4.48Å; F328-Y338 AromaticContact CG-CD1 3.71Å; F328-Y338 HydrophobicContact CG-CD1 3.71Å; F328-Y338 HydrophobicContact CG-CE1 4.48Å; F328-Y338 HydrophobicContact CG-CG 4.49Å; V330-Y338 HydrophobicContact CB-CD2 4.15Å; V330-Y338 HydrophobicContact CB-CE2 4.38Å; V330-Y338 HydrophobicContact CG1-CD1 4.16Å; V330-Y338 HydrophobicContact CG1-CD2 3.74Å; V330-Y338 HydrophobicContact CG1-CE1 4.21Å; V330-Y338 HydrophobicContact CG1-CE2 3.78Å; V330-Y338 HydrophobicContact CG1-CG 3.92Å; V330-Y338 HydrophobicContact CG2-CD2 3.94Å; V330-Y338 HydrophobicContact CG2-CG 4.2Å; V334-Y338 HydrophobicContact CB-CD2 4.2Å; V334-Y338 HydrophobicContact CB-CE2 4.14Å; V334-Y338 HydrophobicContact CG2-CD2 4.24Å; V334-Y338 HydrophobicContact CG2-CE2 4.08Å; V334-Y338 WeakPolarHBondContact O-CD2 3.37Å; V334-Y338 PolarHBondContact O-N 3.18Å; N335-Y338 PolarHBondContact O-N 2.83Å; Y338-E340 VanDerWaalsContact C-N 3.32Å; Y338-E340 PolarHBondContact O-N 3.2Å; Y338-L341 HydrophobicContact CD1-CD2 3.99Å; Y338-L341 HydrophobicContact CE1-CD2 4.31Å; Y338-L341 WeakPolarHBondContact O-CB 3.42Å; Y338-L341 PolarHBondContact O-N 3.31Å; Y338-L341 VanDerWaalsContact O-N 3.16Å; Y338-T342 WeakPolarHBondContact O-CG2 3.39Å; Y338-T342 PolarHBondContact O-N 3.37Å; Y338-V350 WeakPolarHBondContact O-CG2 3.05Å |
| 339 | K | 94.2 | Very high | 91.9 | Very high | 90 Ų | 90 | 51.4 Ų | 51.4 | 39% | 0.391 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 170.8 | -80.3 | 172.1 | 175.7 | 159 | 0 | 111.7 | N335 N336 V337 L341 T342 V350 | N335-K339 PolarHBondContact ND2-NZ 2.94Å; N335-K339 WeakPolarHBondContact O-CG 3.45Å; N335-K339 PolarHBondContact O-N 2.64Å; N335-K339 WeakPolarHBondContact OD1-CE 3.41Å; N335-K339 PolarHBondContact OD1-NZ 3.41Å; N336-K339 PolarHBondContact O-N 3.39Å; V337-K339 VanDerWaalsContact C-N 3.33Å; V337-K339 PolarHBondContact O-N 3.42Å; K339-L341 VanDerWaalsContact C-N 3.33Å; K339-T342 PolarHBondContact O-N 3.05Å; K339-T342 PolarHBondContact O-OG1 3.35Å; K339-V350 HydrophobicContact CG-CB 4.36Å; K339-V350 HydrophobicContact CG-CG2 4.1Å |
| 340 | E | 94.4 | Very high | 92 | Very high | 101 Ų | 101 | 52.8 Ų | 52.8 | 47% | 0.472 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 172.8 | -64 | -54.3 | 130.1 | 0 | 0 | 111.5 | N336 V337 Y338 T342 K343 | N336-E340 PolarHBondContact O-N 3.19Å; V337-E340 PolarHBondContact O-N 2.65Å; Y338-E340 VanDerWaalsContact C-N 3.32Å; Y338-E340 PolarHBondContact O-N 3.2Å; E340-T342 VanDerWaalsContact C-N 3.3Å; E340-T342 PolarHBondContact O-N 3.3Å; E340-K343 WeakPolarHBondContact O-CB 3.45Å; E340-K343 PolarHBondContact O-N 3.49Å; E340-K343 VanDerWaalsContact O-N 3.08Å; E340-K343 WeakPolarHBondContact OE1-CE 3.39Å; E340-K343 IonicContact OE1-NZ 3.09Å; E340-K343 PolarHBondContact OE1-NZ 3.41Å; E340-K343 WeakPolarHBondContact OE2-CD 3.39Å; E340-K343 WeakPolarHBondContact OE2-CE 3.42Å; E340-K343 IonicContact OE2-NZ 3.72Å; E340-K343 PolarHBondContact OE2-NZ 2.93Å |
| 341 | L | 93.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.9 | -39.7 | 174.8 | -172.8 | 61.6 | 0 | 0 | 0 | 112.3 | F275 V312 F328 V337 Y338 K339 K343 M344 I345 | F275-L341 HydrophobicContact CE1-CD2 3.82Å; F275-L341 HydrophobicContact CZ-CB 4.39Å; F275-L341 HydrophobicContact CZ-CD1 4.01Å; F275-L341 HydrophobicContact CZ-CD2 3.88Å; F275-L341 HydrophobicContact CZ-CG 4.32Å; V312-L341 HydrophobicContact CB-CD1 4.29Å; V312-L341 HydrophobicContact CG1-CD1 3.49Å; V312-L341 VanDerWaalsContact CG1-CD1 3.49Å; V312-L341 HydrophobicContact CG2-CD1 3.78Å; F328-L341 HydrophobicContact CE1-CD2 3.95Å; F328-L341 HydrophobicContact CE2-CD2 4.1Å; F328-L341 HydrophobicContact CE2-CG 4.34Å; F328-L341 HydrophobicContact CZ-CD2 3.62Å; F328-L341 HydrophobicContact CZ-CG 4.19Å; V337-L341 PolarHBondContact O-N 3.21Å; V337-L341 VanDerWaalsContact O-N 3.1Å; Y338-L341 HydrophobicContact CD1-CD2 3.99Å; Y338-L341 HydrophobicContact CE1-CD2 4.31Å; Y338-L341 WeakPolarHBondContact O-CB 3.42Å; Y338-L341 PolarHBondContact O-N 3.31Å; Y338-L341 VanDerWaalsContact O-N 3.16Å; K339-L341 VanDerWaalsContact C-N 3.33Å; L341-K343 PolarHBondContact O-N 3.48Å; L341-M344 HydrophobicContact CD1-CE 4.23Å; L341-M344 PolarHBondContact O-N 2.75Å; L341-I345 HydrophobicContact CD1-CD1 3.75Å; L341-I345 HydrophobicContact CD1-CG1 4.13Å; L341-I345 HydrophobicContact CD2-CD1 4.13Å; L341-I345 HydrophobicContact CG-CD1 3.79Å; L341-I345 HydrophobicContact CG-CG1 4.31Å; L341-I345 PolarHBondContact O-N 2.85Å |
| 342 | T | 91.4 | Very high | 91.8 | Very high | 39 Ų | 39 | 55.5 Ų | 55.5 | 24% | 0.239 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.5 | -17.2 | 177.4 | 61.9 | 0 | 0 | 0 | 0 | 114.9 | F328 Y338 K339 E340 M344 I345 S348 V350 | F328-T342 HydrophobicContact CD2-CG2 3.72Å; F328-T342 HydrophobicContact CE2-CG2 3.88Å; Y338-T342 WeakPolarHBondContact O-CG2 3.39Å; Y338-T342 PolarHBondContact O-N 3.37Å; K339-T342 PolarHBondContact O-N 3.05Å; K339-T342 PolarHBondContact O-OG1 3.35Å; E340-T342 VanDerWaalsContact C-N 3.3Å; E340-T342 PolarHBondContact O-N 3.3Å; T342-M344 VanDerWaalsContact C-N 3.29Å; T342-I345 VanDerWaalsContact O-O 3.12Å; T342-S348 WeakPolarHBondContact CA-OG 3.36Å; T342-S348 VanDerWaalsContact CB-OG 3.27Å; T342-S348 WeakPolarHBondContact CB-OG 3.39Å; T342-S348 VanDerWaalsContact CG2-OG 3.27Å; T342-S348 WeakPolarHBondContact CG2-OG 3.44Å; T342-V350 HydrophobicContact CG2-CG2 3.4Å |
| 343 | K | 90.4 | Very high | 91.4 | Very high | 147 Ų | 147 | 50.2 Ų | 50.2 | 64% | 0.639 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -74.9 | -24.8 | 172.9 | -59.1 | 178.7 | -170.9 | 169 | 0 | 111.9 | E340 L341 | E340-K343 WeakPolarHBondContact O-CB 3.45Å; E340-K343 PolarHBondContact O-N 3.49Å; E340-K343 VanDerWaalsContact O-N 3.08Å; E340-K343 WeakPolarHBondContact OE1-CE 3.39Å; E340-K343 IonicContact OE1-NZ 3.09Å; E340-K343 PolarHBondContact OE1-NZ 3.41Å; E340-K343 WeakPolarHBondContact OE2-CD 3.39Å; E340-K343 WeakPolarHBondContact OE2-CE 3.42Å; E340-K343 IonicContact OE2-NZ 3.72Å; E340-K343 PolarHBondContact OE2-NZ 2.93Å; L341-K343 PolarHBondContact O-N 3.48Å |
| 344 | M | 90.8 | Very high | 90.7 | Very high | 110 Ų | 110 | 46 Ų | 46 | 54% | 0.542 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -96.9 | -34.3 | -178.8 | -63.8 | -176.7 | -80 | 0 | 0 | 112.2 | V312 L341 T342 P346 | V312-M344 HydrophobicContact CG1-CB 3.73Å; V312-M344 HydrophobicContact CG1-CE 4.1Å; V312-M344 HydrophobicContact CG1-SD 4.05Å; L341-M344 HydrophobicContact CD1-CE 4.23Å; L341-M344 PolarHBondContact O-N 2.75Å; T342-M344 VanDerWaalsContact C-N 3.29Å; M344-P346 WeakPolarHBondContact O-CD 3.16Å |
| 345 | I | 91.5 | Very high | 89.4 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -96.3 | 109.7 | 177.7 | -57.6 | -178.6 | 0 | 0 | 0 | 109.1 | V312 L315 A316 L319 P326 F328 L341 T342 S348 | V312-I345 HydrophobicContact CG1-CD1 4.47Å; V312-I345 HydrophobicContact CG1-CG1 4.12Å; L315-I345 HydrophobicContact CD2-CD1 4.08Å; L315-I345 HydrophobicContact CG-CD1 4.47Å; A316-I345 HydrophobicContact CB-CG1 4.18Å; L319-I345 HydrophobicContact CD1-CD1 4.45Å; L319-I345 HydrophobicContact CD1-CG2 3.77Å; P326-I345 HydrophobicContact CG-CG2 3.93Å; F328-I345 HydrophobicContact CZ-CD1 4.1Å; L341-I345 HydrophobicContact CD1-CD1 3.75Å; L341-I345 HydrophobicContact CD1-CG1 4.13Å; L341-I345 HydrophobicContact CD2-CD1 4.13Å; L341-I345 HydrophobicContact CG-CD1 3.79Å; L341-I345 HydrophobicContact CG-CG1 4.31Å; L341-I345 PolarHBondContact O-N 2.85Å; T342-I345 VanDerWaalsContact O-O 3.12Å; I345-S348 WeakPolarHBondContact O-CB 3.43Å; I345-S348 PolarHBondContact O-OG 2.78Å |
| 346 | P | 83 | Confident | 87.9 | Confident | 55 Ų | 55 | 52.3 Ų | 52.3 | 36% | 0.357 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 155.3 | 179.5 | 28.5 | -34.2 | 0 | 0 | 0 | 111 | M344 S348 L439 | M344-P346 WeakPolarHBondContact O-CD 3.16Å; P346-S348 PolarHBondContact O-N 3.42Å; P346-L439 HydrophobicContact CB-CD1 4.34Å |
| 347 | K | 85.6 | Confident | 86.6 | Confident | 40 Ų | 40 | 47 Ų | 47 | 17% | 0.174 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 39.9 | 178.1 | -70.2 | -65.9 | -156.2 | 145.2 | 0 | 113.8 | Q325 L371 K374 L439 | Q325-K347 HydrophobicContact CG-CB 4.27Å; K347-L371 PolarHBondContact NZ-O 2.9Å; K347-L371 VanDerWaalsContact O-CD2 3.24Å; K347-L371 WeakPolarHBondContact O-CD2 3.28Å; K347-K374 PolarHBondContact NZ-O 3.3Å; K347-L439 HydrophobicContact CD-CB 4.34Å; K347-L439 WeakPolarHBondContact CE-O 3.38Å; K347-L439 HydrophobicContact CG-CB 3.66Å; K347-L439 HydrophobicContact CG-CD1 4.12Å |
| 348 | S | 91.9 | Very high | 85.5 | Confident | 20 Ų | 20 | 46.8 Ų | 46.8 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | trans | -116.5 | 156.3 | 174.1 | 65.5 | 0 | 0 | 0 | 0 | 110.9 | P326 T342 I345 P346 | P326-S348 WeakPolarHBondContact O-CA 3.11Å; T342-S348 WeakPolarHBondContact CA-OG 3.36Å; T342-S348 VanDerWaalsContact CB-OG 3.27Å; T342-S348 WeakPolarHBondContact CB-OG 3.39Å; T342-S348 VanDerWaalsContact CG2-OG 3.27Å; T342-S348 WeakPolarHBondContact CG2-OG 3.44Å; I345-S348 WeakPolarHBondContact O-CB 3.43Å; I345-S348 PolarHBondContact O-OG 2.78Å; P346-S348 PolarHBondContact O-N 3.42Å | ||
| 349 | V | 92.1 | Very high | 84.8 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 143.7 | 179.9 | 62 | 0 | 0 | 0 | 0 | 110.3 | P326 I327 F328 A367 L371 | P326-V349 PolarHBondContact O-N 3.43Å; I327-V349 HydrophobicContact CB-CG1 4.31Å; I327-V349 HydrophobicContact CG1-CG1 3.91Å; I327-V349 HydrophobicContact CG2-CG1 4.21Å; F328-V349 PolarHBondContact N-O 3.35Å; V349-A367 HydrophobicContact CG1-CB 3.57Å; V349-L371 HydrophobicContact CB-CD2 4.42Å; V349-L371 HydrophobicContact CG1-CD1 3.96Å; V349-L371 HydrophobicContact CG1-CD2 4.28Å; V349-L371 HydrophobicContact CG1-CG 3.99Å |
| 350 | V | 93.8 | Very high | 84.1 | Confident | 29 Ų | 29 | 44.8 Ų | 44.8 | 18% | 0.176 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 133.6 | 171.7 | -170 | 0 | 0 | 0 | 0 | 109.3 | F328 V330 Y338 K339 T342 | F328-V350 HydrophobicContact CB-CG1 4.46Å; F328-V350 HydrophobicContact CB-CG2 4.31Å; F328-V350 HydrophobicContact CD2-CG2 4.26Å; F328-V350 WeakPolarHBondContact O-CA 3.25Å; V330-V350 HydrophobicContact CG2-CG1 3.87Å; Y338-V350 WeakPolarHBondContact O-CG2 3.05Å; K339-V350 HydrophobicContact CG-CB 4.36Å; K339-V350 HydrophobicContact CG-CG2 4.1Å; T342-V350 HydrophobicContact CG2-CG2 3.4Å |
| 351 | G | 91.1 | Very high | 83.3 | Confident | 12 Ų | 12 | 41 Ų | 41 | 12% | 0.124 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 137.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | F328 A329 V330 L353 L363 | F328-G351 PolarHBondContact O-N 3.22Å; F328-G351 VanDerWaalsContact O-O 3.14Å; A329-G351 WeakPolarHBondContact CA-O 3.3Å; V330-G351 PolarHBondContact N-O 3.45Å; G351-L353 PolarHBondContact O-N 2.91Å; G351-L363 VanDerWaalsContact C-CD1 3.5Å |
| 352 | V | 89.8 | Confident | 82.8 | Confident | 56 Ų | 56 | 47.2 Ų | 47.2 | 34% | 0.339 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 114.4 | 177.1 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | V330 E332 N335 N359 | V330-V352 CarbonylContact O-C 3.59Å; V330-V352 WeakPolarHBondContact O-CA 3.37Å; E332-V352 HydrophobicContact CB-CG1 4.08Å; E332-V352 WeakPolarHBondContact OE2-CG1 3.25Å; E332-V352 VanDerWaalsContact OE2-CG2 3.27Å; E332-V352 WeakPolarHBondContact OE2-CG2 3.27Å; N335-V352 HydrophobicContact CB-CG2 4.46Å; N335-V352 WeakPolarHBondContact ND2-CG2 3.44Å; V352-N359 PolarHBondContact O-ND2 2.86Å |
| 353 | L | 81.9 | Confident | 82.5 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | trans | -76.2 | 130.9 | 172.3 | -164.7 | 63.2 | 0 | 0 | 0 | 108.5 | V330 G351 S357 V360 | V330-L353 PolarHBondContact O-N 3.33Å; G351-L353 PolarHBondContact O-N 2.91Å; L353-S357 VanDerWaalsContact CD2-OG 3.32Å; L353-S357 WeakPolarHBondContact CD2-OG 3.28Å; L353-V360 HydrophobicContact CD1-CB 3.97Å; L353-V360 HydrophobicContact CD1-CG2 4.22Å | ||
| 354 | S | 77.1 | Confident | 82.3 | Confident | 35 Ų | 35 | 39.1 Ų | 39.1 | 25% | 0.245 | 22% | 0.222 | C | C | . | . | trans | -63 | 152.7 | 168.3 | 57.5 | 0 | 0 | 0 | 0 | 109.1 | D356 S357 N358 N359 | S354-D356 VanDerWaalsContact CB-OD1 3.27Å; S354-D356 WeakPolarHBondContact CB-OD1 3.3Å; S354-D356 PolarHBondContact O-N 2.74Å; S354-D356 PolarHBondContact OG-OD1 2.71Å; S354-S357 PolarHBondContact O-N 3.07Å; S354-S357 PolarHBondContact OG-N 2.89Å; S354-N358 PolarHBondContact OG-N 3.41Å; S354-N359 PolarHBondContact N-OD1 3.05Å; S354-N359 PolarHBondContact OG-OD1 2.97Å | ||
| 355 | S | 64.9 | Low | 82 | Confident | 93 Ų | 93 | 35.9 Ų | 35.9 | 65% | 0.65 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -3.5 | 179.5 | 61 | 0 | 0 | 0 | 0 | 114.3 | ||
| 356 | D | 64.5 | Low | 81.8 | Confident | 59 Ų | 59 | 39.4 Ų | 39.4 | 32% | 0.316 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | 11.2 | 176.1 | 65.6 | -0.6 | 0 | 0 | 0 | 112.2 | N152 S354 N358 | N152-D356 WeakPolarHBondContact CB-O 3Å; N152-D356 PolarHBondContact ND2-O 3.35Å; S354-D356 VanDerWaalsContact CB-OD1 3.27Å; S354-D356 WeakPolarHBondContact CB-OD1 3.3Å; S354-D356 PolarHBondContact O-N 2.74Å; S354-D356 PolarHBondContact OG-OD1 2.71Å; D356-N358 PolarHBondContact O-N 2.81Å; D356-N358 WeakPolarHBondContact OD1-CB 3.34Å; D356-N358 PolarHBondContact OD1-N 3.09Å; D356-N358 PolarHBondContact OD2-ND2 2.79Å |
| 357 | S | 67.3 | Low | 81.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | 53.8 | 11.6 | -179.4 | -76.2 | 0 | 0 | 0 | 0 | 116.6 | D149 L156 L353 S354 N359 V360 | D149-S357 WeakPolarHBondContact OD1-CB 3.09Å; D149-S357 PolarHBondContact OD1-N 3.45Å; D149-S357 PolarHBondContact OD1-OG 3Å; L156-S357 VanDerWaalsContact CD1-O 3.23Å; L156-S357 WeakPolarHBondContact CD1-O 3.49Å; L353-S357 VanDerWaalsContact CD2-OG 3.32Å; L353-S357 WeakPolarHBondContact CD2-OG 3.28Å; S354-S357 PolarHBondContact O-N 3.07Å; S354-S357 PolarHBondContact OG-N 2.89Å; S357-N359 PolarHBondContact O-N 3.46Å; S357-V360 WeakPolarHBondContact O-CB 3.38Å; S357-V360 WeakPolarHBondContact O-CG1 3.29Å; S357-V360 PolarHBondContact O-N 2.67Å | ||
| 358 | N | 71.3 | Confident | 81.9 | Confident | 70 Ų | 70 | 36.3 Ų | 36.3 | 37% | 0.374 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -18.3 | -173.4 | -78.2 | -36.4 | 0 | 0 | 0 | 113.7 | R155 S354 D356 | R155-N358 PolarHBondContact NH2-OD1 3.12Å; S354-N358 PolarHBondContact OG-N 3.41Å; D356-N358 PolarHBondContact O-N 2.81Å; D356-N358 WeakPolarHBondContact OD1-CB 3.34Å; D356-N358 PolarHBondContact OD1-N 3.09Å; D356-N358 PolarHBondContact OD2-ND2 2.79Å |
| 359 | N | 81.1 | Confident | 81.5 | Confident | 45 Ų | 45 | 39.7 Ų | 39.7 | 24% | 0.241 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 1.2 | 178 | 73.8 | -29.2 | 0 | 0 | 0 | 114.4 | V352 S354 S357 V361 Q362 L363 | V352-N359 PolarHBondContact O-ND2 2.86Å; S354-N359 PolarHBondContact N-OD1 3.05Å; S354-N359 PolarHBondContact OG-OD1 2.97Å; S357-N359 PolarHBondContact O-N 3.46Å; N359-V361 PolarHBondContact O-N 3.43Å; N359-V361 VanDerWaalsContact O-N 3.09Å; N359-Q362 PolarHBondContact O-N 3.23Å; N359-Q362 VanDerWaalsContact O-N 3.08Å; N359-L363 PolarHBondContact O-N 3.24Å |
| 360 | V | 78.1 | Confident | 81.2 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.9 | -34.5 | -174 | 71.3 | 0 | 0 | 0 | 0 | 113.6 | Y138 L156 L353 S357 L363 I364 | Y138-V360 HydrophobicContact CE2-CG2 4.07Å; L156-V360 HydrophobicContact CD1-CG1 3.87Å; L353-V360 HydrophobicContact CD1-CB 3.97Å; L353-V360 HydrophobicContact CD1-CG2 4.22Å; S357-V360 WeakPolarHBondContact O-CB 3.38Å; S357-V360 WeakPolarHBondContact O-CG1 3.29Å; S357-V360 PolarHBondContact O-N 2.67Å; V360-L363 WeakPolarHBondContact O-CB 2.76Å; V360-L363 PolarHBondContact O-N 2.03Å; V360-I364 HydrophobicContact CG2-CD1 4.05Å; V360-I364 WeakPolarHBondContact O-CG1 3.42Å; V360-I364 PolarHBondContact O-N 3.48Å |
| 361 | V | 78.7 | Confident | 80.6 | Confident | 21 Ų | 21 | 42 Ų | 42 | 13% | 0.127 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -51.3 | 177.8 | 163.8 | 0 | 0 | 0 | 0 | 111.4 | N159 A163 N359 L363 I364 E365 | N159-V361 HydrophobicContact CB-CG2 4.05Å; A163-V361 HydrophobicContact CB-CB 4.17Å; A163-V361 HydrophobicContact CB-CG1 3.49Å; A163-V361 VanDerWaalsContact CB-CG1 3.49Å; A163-V361 HydrophobicContact CB-CG2 4.13Å; N359-V361 PolarHBondContact O-N 3.43Å; N359-V361 VanDerWaalsContact O-N 3.09Å; V361-L363 VanDerWaalsContact C-N 3.25Å; V361-L363 PolarHBondContact O-N 2.7Å; V361-I364 PolarHBondContact O-N 3.08Å; V361-E365 WeakPolarHBondContact O-CG 3.13Å; V361-E365 PolarHBondContact O-N 2.64Å |
| 362 | Q | 82.2 | Confident | 80.1 | Confident | 133 Ų | 133 | 42.2 Ų | 42.2 | 62% | 0.621 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.7 | -34.1 | 179.2 | -67.7 | 176.5 | -8.1 | 0 | 0 | 111.3 | N359 S366 | N359-Q362 PolarHBondContact O-N 3.23Å; N359-Q362 VanDerWaalsContact O-N 3.08Å; Q362-S366 VanDerWaalsContact O-CB 3.27Å; Q362-S366 WeakPolarHBondContact O-CB 3.42Å; Q362-S366 PolarHBondContact O-N 3.04Å; Q362-S366 PolarHBondContact O-OG 3.08Å |
| 363 | L | 86.4 | Confident | 80 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.1 | -49.5 | 175.5 | -170.9 | 164.3 | 0 | 0 | 0 | 110.5 | I327 A329 G351 N359 V360 V361 S366 A367 | I327-L363 HydrophobicContact CG2-CD2 3.68Å; A329-L363 HydrophobicContact CB-CD1 3.98Å; A329-L363 HydrophobicContact CB-CD2 4.1Å; G351-L363 VanDerWaalsContact C-CD1 3.5Å; N359-L363 PolarHBondContact O-N 3.24Å; V360-L363 WeakPolarHBondContact O-CB 2.76Å; V360-L363 PolarHBondContact O-N 2.03Å; V361-L363 VanDerWaalsContact C-N 3.25Å; V361-L363 PolarHBondContact O-N 2.7Å; L363-S366 PolarHBondContact O-N 3.3Å; L363-A367 HydrophobicContact CD2-CB 4.48Å; L363-A367 WeakPolarHBondContact O-CB 3.39Å; L363-A367 PolarHBondContact O-N 2.85Å |
| 364 | I | 85 | Confident | 80.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.8 | -43.2 | 179.6 | -69.2 | 163.8 | 0 | 0 | 0 | 111.5 | L136 L160 I167 V268 V360 V361 S366 A367 Y368 | L136-I364 HydrophobicContact CD1-CD1 4.24Å; L136-I364 HydrophobicContact CD1-CG2 3.82Å; L160-I364 HydrophobicContact CD1-CD1 3.2Å; I167-I364 HydrophobicContact CD1-CG2 4.46Å; V268-I364 HydrophobicContact CG1-CD1 4.34Å; V268-I364 HydrophobicContact CG1-CG1 4.46Å; V268-I364 HydrophobicContact CG2-CD1 4Å; V268-I364 HydrophobicContact CG2-CG1 4.02Å; V360-I364 HydrophobicContact CG2-CD1 4.05Å; V360-I364 WeakPolarHBondContact O-CG1 3.42Å; V360-I364 PolarHBondContact O-N 3.48Å; V361-I364 PolarHBondContact O-N 3.08Å; I364-S366 VanDerWaalsContact C-N 3.34Å; I364-S366 PolarHBondContact O-N 2.77Å; I364-A367 PolarHBondContact O-N 2.9Å; I364-Y368 VanDerWaalsContact O-CB 3.25Å; I364-Y368 WeakPolarHBondContact O-CB 3.24Å; I364-Y368 PolarHBondContact O-N 3.1Å |
| 365 | E | 85.6 | Confident | 81 | Confident | 43 Ų | 43 | 42.1 Ų | 42.1 | 20% | 0.201 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.9 | -46.6 | 174.7 | -71.9 | 176.3 | -169 | 0 | 0 | 111.1 | K166 I167 V361 N369 | K166-E365 WeakPolarHBondContact CD-OE1 3.49Å; K166-E365 IonicContact NZ-OE1 3.64Å; K166-E365 PolarHBondContact NZ-OE1 3.02Å; I167-E365 HydrophobicContact CD1-CG 4.3Å; I167-E365 HydrophobicContact CG1-CG 4.43Å; V361-E365 WeakPolarHBondContact O-CG 3.13Å; V361-E365 PolarHBondContact O-N 2.64Å; E365-N369 WeakPolarHBondContact O-CB 3.37Å; E365-N369 VanDerWaalsContact O-CG 3.28Å; E365-N369 PolarHBondContact O-N 3.02Å; E365-N369 PolarHBondContact O-ND2 2.7Å; E365-N369 VanDerWaalsContact O-ND2 3.07Å |
| 366 | S | 85.6 | Confident | 82.2 | Confident | 75 Ų | 75 | 38.1 Ų | 38.1 | 52% | 0.524 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68.6 | -41.8 | 179.8 | -56.6 | 0 | 0 | 0 | 0 | 112.3 | Q362 L363 I364 N369 N370 | Q362-S366 VanDerWaalsContact O-CB 3.27Å; Q362-S366 WeakPolarHBondContact O-CB 3.42Å; Q362-S366 PolarHBondContact O-N 3.04Å; Q362-S366 PolarHBondContact O-OG 3.08Å; L363-S366 PolarHBondContact O-N 3.3Å; I364-S366 VanDerWaalsContact C-N 3.34Å; I364-S366 PolarHBondContact O-N 2.77Å; S366-N369 PolarHBondContact O-N 2.86Å; S366-N370 WeakPolarHBondContact O-CB 3.43Å; S366-N370 PolarHBondContact O-N 2.88Å |
| 367 | A | 86.3 | Confident | 83.6 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.6 | -46.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I327 V349 L363 I364 N369 N370 L371 | I327-A367 HydrophobicContact CD1-CB 3.78Å; I327-A367 HydrophobicContact CG1-CB 4Å; I327-A367 HydrophobicContact CG2-CB 3.74Å; V349-A367 HydrophobicContact CG1-CB 3.57Å; L363-A367 HydrophobicContact CD2-CB 4.48Å; L363-A367 WeakPolarHBondContact O-CB 3.39Å; L363-A367 PolarHBondContact O-N 2.85Å; I364-A367 PolarHBondContact O-N 2.9Å; A367-N369 PolarHBondContact O-N 2.8Å; A367-N370 PolarHBondContact O-N 2.94Å; A367-L371 WeakPolarHBondContact O-CB 3.43Å; A367-L371 VanDerWaalsContact O-CG 3.27Å; A367-L371 WeakPolarHBondContact O-CG 3.21Å; A367-L371 PolarHBondContact O-N 2.84Å |
| 368 | Y | 85.5 | Confident | 84.8 | Confident | 26 Ų | 26 | 36.7 Ų | 36.7 | 10% | 0.102 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.1 | -47.1 | 174.8 | 176.7 | -95.1 | 0 | 0 | 0 | 111.6 | V134 I167 T264 L266 I364 N370 L371 T372 | V134-Y368 HydrophobicContact CG2-CE2 3.89Å; I167-Y368 HydrophobicContact CB-CD1 4.5Å; I167-Y368 HydrophobicContact CD1-CD1 4.32Å; I167-Y368 HydrophobicContact CD1-CG 4.14Å; I167-Y368 HydrophobicContact CG1-CD1 4.32Å; I167-Y368 HydrophobicContact CG2-CD1 3.43Å; I167-Y368 VanDerWaalsContact CG2-CD1 3.43Å; I167-Y368 HydrophobicContact CG2-CD2 4.07Å; I167-Y368 HydrophobicContact CG2-CE1 3.18Å; I167-Y368 HydrophobicContact CG2-CE2 3.83Å; I167-Y368 HydrophobicContact CG2-CG 3.86Å; T264-Y368 HydrophobicContact CG2-CE2 4.25Å; L266-Y368 HydrophobicContact CD1-CD2 3.99Å; I364-Y368 VanDerWaalsContact O-CB 3.25Å; I364-Y368 WeakPolarHBondContact O-CB 3.24Å; I364-Y368 PolarHBondContact O-N 3.1Å; Y368-N370 VanDerWaalsContact C-N 3.32Å; Y368-N370 PolarHBondContact O-N 2.63Å; Y368-L371 PolarHBondContact O-N 3.24Å; Y368-T372 HydrophobicContact CD1-CG2 4.27Å; Y368-T372 HydrophobicContact CD2-CG2 4.03Å; Y368-T372 HydrophobicContact CE1-CG2 3.88Å; Y368-T372 HydrophobicContact CE2-CG2 3.65Å; Y368-T372 HydrophobicContact CG-CG2 4.35Å; Y368-T372 WeakPolarHBondContact O-CB 3.45Å; Y368-T372 VanDerWaalsContact O-CG2 3.3Å; Y368-T372 WeakPolarHBondContact O-CG2 3.27Å; Y368-T372 PolarHBondContact O-N 2.79Å; Y368-T372 PolarHBondContact O-OG1 2.89Å |
| 369 | N | 84.3 | Confident | 85.8 | Confident | 90 Ų | 90 | 35.1 Ų | 35.1 | 48% | 0.481 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.6 | -40.6 | 178.9 | -75 | -33.5 | 0 | 0 | 0 | 112 | E365 S366 A367 T372 S373 | E365-N369 WeakPolarHBondContact O-CB 3.37Å; E365-N369 VanDerWaalsContact O-CG 3.28Å; E365-N369 PolarHBondContact O-N 3.02Å; E365-N369 PolarHBondContact O-ND2 2.7Å; E365-N369 VanDerWaalsContact O-ND2 3.07Å; S366-N369 PolarHBondContact O-N 2.86Å; A367-N369 PolarHBondContact O-N 2.8Å; N369-T372 PolarHBondContact O-OG1 3.41Å; N369-S373 VanDerWaalsContact O-CB 3.24Å; N369-S373 WeakPolarHBondContact O-CB 3.38Å; N369-S373 PolarHBondContact O-N 3.28Å; N369-S373 PolarHBondContact O-OG 2.94Å; N369-S373 VanDerWaalsContact O-OG 3.1Å |
| 370 | N | 84.1 | Confident | 86.2 | Confident | 87 Ų | 87 | 36.3 Ų | 36.3 | 47% | 0.465 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.2 | -45.7 | 176.9 | -168.3 | -7.8 | 0 | 0 | 0 | 112.1 | S366 A367 Y368 T372 S373 K374 | S366-N370 WeakPolarHBondContact O-CB 3.43Å; S366-N370 PolarHBondContact O-N 2.88Å; A367-N370 PolarHBondContact O-N 2.94Å; Y368-N370 VanDerWaalsContact C-N 3.32Å; Y368-N370 PolarHBondContact O-N 2.63Å; N370-T372 VanDerWaalsContact C-N 3.31Å; N370-T372 PolarHBondContact O-N 3.4Å; N370-S373 PolarHBondContact O-N 2.78Å; N370-S373 PolarHBondContact O-OG 3.39Å; N370-K374 PolarHBondContact O-N 3.02Å |
| 371 | L | 82.1 | Confident | 86.7 | Confident | 9 Ų | 9 | 44 Ų | 44 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.2 | -37.5 | 178 | -74.3 | 172.9 | 0 | 0 | 0 | 112.7 | L266 Q325 I327 K347 V349 A367 Y368 | L266-L371 HydrophobicContact CD2-CD1 4.19Å; Q325-L371 HydrophobicContact CB-CD1 4.14Å; I327-L371 HydrophobicContact CD1-CD1 4.33Å; I327-L371 HydrophobicContact CG1-CD1 3.97Å; K347-L371 PolarHBondContact NZ-O 2.9Å; K347-L371 VanDerWaalsContact O-CD2 3.24Å; K347-L371 WeakPolarHBondContact O-CD2 3.28Å; V349-L371 HydrophobicContact CB-CD2 4.42Å; V349-L371 HydrophobicContact CG1-CD1 3.96Å; V349-L371 HydrophobicContact CG1-CD2 4.28Å; V349-L371 HydrophobicContact CG1-CG 3.99Å; A367-L371 WeakPolarHBondContact O-CB 3.43Å; A367-L371 VanDerWaalsContact O-CG 3.27Å; A367-L371 WeakPolarHBondContact O-CG 3.21Å; A367-L371 PolarHBondContact O-N 2.84Å; Y368-L371 PolarHBondContact O-N 3.24Å |
| 372 | T | 81.3 | Confident | 87.4 | Confident | 18 Ų | 18 | 45 Ų | 45 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -87.3 | -15.9 | -178.1 | 58.9 | 0 | 0 | 0 | 0 | 114.1 | R128 Y368 N369 N370 | R128-T372 VanDerWaalsContact NH1-C 3.28Å; R128-T372 PolarHBondContact NH1-O 2.96Å; R128-T372 PolarHBondContact NH1-OG1 3.1Å; Y368-T372 HydrophobicContact CD1-CG2 4.27Å; Y368-T372 HydrophobicContact CD2-CG2 4.03Å; Y368-T372 HydrophobicContact CE1-CG2 3.88Å; Y368-T372 HydrophobicContact CE2-CG2 3.65Å; Y368-T372 HydrophobicContact CG-CG2 4.35Å; Y368-T372 WeakPolarHBondContact O-CB 3.45Å; Y368-T372 VanDerWaalsContact O-CG2 3.3Å; Y368-T372 WeakPolarHBondContact O-CG2 3.27Å; Y368-T372 PolarHBondContact O-N 2.79Å; Y368-T372 PolarHBondContact O-OG1 2.89Å; N369-T372 PolarHBondContact O-OG1 3.41Å; N370-T372 VanDerWaalsContact C-N 3.31Å; N370-T372 PolarHBondContact O-N 3.4Å |
| 373 | S | 86 | Confident | 87.9 | Confident | 23 Ų | 23 | 39.8 Ų | 39.8 | 16% | 0.161 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -82.2 | -26.2 | 174.2 | 63.3 | 0 | 0 | 0 | 0 | 112.9 | N369 N370 D408 Q409 V410 | N369-S373 VanDerWaalsContact O-CB 3.24Å; N369-S373 WeakPolarHBondContact O-CB 3.38Å; N369-S373 PolarHBondContact O-N 3.28Å; N369-S373 PolarHBondContact O-OG 2.94Å; N369-S373 VanDerWaalsContact O-OG 3.1Å; N370-S373 PolarHBondContact O-N 2.78Å; N370-S373 PolarHBondContact O-OG 3.39Å; S373-D408 CarbonylContact O-C 3.6Å; S373-Q409 PolarHBondContact O-N 3.44Å; S373-Q409 VanDerWaalsContact O-N 3.15Å; S373-V410 WeakPolarHBondContact O-CB 3.28Å; S373-V410 WeakPolarHBondContact O-CG2 3.39Å; S373-V410 PolarHBondContact O-N 2.98Å |
| 374 | K | 89.4 | Confident | 88 | Confident | 62 Ų | 62 | 44.9 Ų | 44.9 | 27% | 0.27 | 24% | 0.243 | S | C | . | . | trans | -93.4 | 112.1 | 175.5 | -173 | 174.4 | -177.3 | 175.4 | 0 | 110.2 | K347 N370 E400 V406 C407 | K347-K374 PolarHBondContact NZ-O 3.3Å; N370-K374 PolarHBondContact O-N 3.02Å; K374-E400 IonicContact NZ-OE1 2.93Å; K374-E400 PolarHBondContact NZ-OE1 2.86Å; K374-V406 HydrophobicContact CD-CG1 4.45Å; K374-V406 VanDerWaalsContact CE-CG1 3.41Å; K374-V406 HydrophobicContact CG-CG1 4.19Å; K374-C407 CarbonylContact C-O 3.59Å; K374-C407 WeakPolarHBondContact CA-O 3.39Å | ||
| 375 | V | 90.6 | Very high | 88.2 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 122.6 | 173.7 | -176.8 | 0 | 0 | 0 | 0 | 109.3 | F126 V377 V406 C407 V410 I416 F418 P438 | F126-V375 HydrophobicContact CD1-CG1 3.83Å; F126-V375 HydrophobicContact CD1-CG2 4.04Å; F126-V375 HydrophobicContact CE1-CB 4.46Å; F126-V375 HydrophobicContact CE1-CG1 3.93Å; F126-V375 HydrophobicContact CE1-CG2 3.64Å; F126-V375 HydrophobicContact CG-CG1 4.32Å; V375-V377 HydrophobicContact CG1-CG2 4.34Å; V375-V406 WeakPolarHBondContact O-CA 3.15Å; V375-C407 PolarHBondContact N-O 2.69Å; V375-C407 PolarHBondContact O-N 2.95Å; V375-V410 HydrophobicContact CB-CG2 4.41Å; V375-V410 HydrophobicContact CG2-CB 4.09Å; V375-V410 HydrophobicContact CG2-CG1 4.19Å; V375-V410 HydrophobicContact CG2-CG2 3.95Å; V375-I416 HydrophobicContact CB-CD1 3.81Å; V375-I416 HydrophobicContact CG1-CD1 3.97Å; V375-I416 HydrophobicContact CG2-CD1 4Å; V375-F418 HydrophobicContact CG1-CE2 4.4Å; V375-F418 HydrophobicContact CG1-CZ 4.13Å; V375-P438 HydrophobicContact CG1-CB 4.3Å |
| 376 | T | 91.5 | Very high | 88.6 | Confident | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 117.5 | 177.3 | -60 | 0 | 0 | 0 | 0 | 108.5 | K404 G405 V406 P438 L439 | T376-K404 HydrophobicContact CG2-CB 4.42Å; T376-K404 HydrophobicContact CG2-CD 4.37Å; T376-G405 CarbonylContact C-O 3.59Å; T376-G405 VanDerWaalsContact CA-O 3.31Å; T376-G405 WeakPolarHBondContact CA-O 3.42Å; T376-V406 HydrophobicContact CG2-CG2 4.05Å; T376-P438 CarbonylContact O-C 3.56Å; T376-P438 VanDerWaalsContact O-CA 3.29Å; T376-P438 WeakPolarHBondContact O-CA 3.44Å; T376-L439 HydrophobicContact CG2-CD1 3.74Å; T376-L439 HydrophobicContact CG2-CG 4.27Å; T376-L439 PolarHBondContact O-N 2.88Å |
| 377 | V | 93.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 130.7 | 176.2 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | V375 Y390 K404 G405 F418 I436 P438 | V375-V377 HydrophobicContact CG1-CG2 4.34Å; V377-Y390 HydrophobicContact CG1-CD1 4.29Å; V377-Y390 HydrophobicContact CG1-CE1 3.91Å; V377-K404 WeakPolarHBondContact O-CA 3.32Å; V377-G405 PolarHBondContact N-O 3.29Å; V377-G405 PolarHBondContact O-N 3.44Å; V377-F418 HydrophobicContact CB-CD1 4.38Å; V377-F418 HydrophobicContact CB-CD2 4.38Å; V377-F418 HydrophobicContact CB-CE1 4.38Å; V377-F418 HydrophobicContact CB-CE2 4.4Å; V377-F418 HydrophobicContact CB-CG 4.38Å; V377-F418 HydrophobicContact CB-CZ 4.39Å; V377-F418 HydrophobicContact CG2-CD1 4.37Å; V377-F418 HydrophobicContact CG2-CD2 3.7Å; V377-F418 HydrophobicContact CG2-CE1 4.12Å; V377-F418 HydrophobicContact CG2-CE2 3.42Å; V377-F418 VanDerWaalsContact CG2-CE2 3.42Å; V377-F418 HydrophobicContact CG2-CG 4.17Å; V377-F418 HydrophobicContact CG2-CZ 3.65Å; V377-I436 HydrophobicContact CG1-CG2 3.49Å; V377-I436 VanDerWaalsContact CG1-CG2 3.49Å; V377-P438 HydrophobicContact CG2-CB 4.21Å |
| 378 | T | 92.8 | Very high | 89.6 | Confident | 28 Ų | 28 | 49.3 Ų | 49.3 | 17% | 0.172 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 178 | -179.3 | -167.6 | 0 | 0 | 0 | 0 | 110.2 | I436 S437 L439 | T378-I436 CarbonylContact O-C 3.49Å; T378-I436 WeakPolarHBondContact O-CA 3.43Å; T378-I436 WeakPolarHBondContact O-CG2 3.41Å; T378-S437 PolarHBondContact N-O 2.82Å; T378-S437 VanDerWaalsContact N-O 3.1Å; T378-S437 PolarHBondContact O-N 2.86Å; T378-L439 HydrophobicContact CG2-CD2 3.59Å; T378-L439 HydrophobicContact CG2-CG 4.04Å |
| 379 | H | 93 | Very high | 90.1 | Very high | 36 Ų | 36 | 52.2 Ų | 52.2 | 17% | 0.167 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 162 | 171.8 | 46.7 | -96.6 | 0 | 0 | 0 | 112.3 | L382 Y390 F434 T435 I436 | H379-L382 HydrophobicContact CB-CD2 4.07Å; H379-L382 WeakPolarHBondContact CD2-CG 3.19Å; H379-L382 WeakPolarHBondContact NE2-CD1 3.47Å; H379-Y390 WeakPolarHBondContact CB-OH 2.97Å; H379-Y390 AromaticContact CE1-CE2 3.74Å; H379-Y390 PolarHBondContact N-OH 3.24Å; H379-Y390 AromaticContact ND1-CE2 3.31Å; H379-Y390 VanDerWaalsContact ND1-CE2 3.31Å; H379-Y390 WeakPolarHBondContact ND1-CE2 3.49Å; H379-Y390 AromaticContact ND1-CZ 3.5Å; H379-Y390 PolarHBondContact ND1-OH 3.35Å; H379-F434 HydrophobicContact CB-CD2 4.2Å; H379-T435 CarbonylContact C-O 3.45Å; H379-T435 WeakPolarHBondContact CA-O 3.46Å; H379-T435 WeakPolarHBondContact CB-O 3.09Å; H379-I436 HydrophobicContact CB-CG1 4.33Å |
| 380 | D | 89.6 | Confident | 90.6 | Very high | 71 Ų | 71 | 48.9 Ų | 48.9 | 38% | 0.38 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -76.3 | -171 | 165.4 | 62.1 | 3.5 | 0 | 0 | 0 | 111.9 | L382 F434 T435 | D380-L382 PolarHBondContact O-N 3.01Å; D380-L382 VanDerWaalsContact O-N 3.08Å; D380-F434 WeakPolarHBondContact OD1-CB 3.03Å; D380-T435 VanDerWaalsContact CG-N 3.32Å; D380-T435 PolarHBondContact N-O 3.2Å; D380-T435 PolarHBondContact OD1-N 2.94Å; D380-T435 WeakPolarHBondContact OD2-CB 3.1Å; D380-T435 PolarHBondContact OD2-N 3.19Å; D380-T435 PolarHBondContact OD2-OG1 3.29Å |
| 381 | I | 88.4 | Confident | 91.1 | Very high | 163 Ų | 163 | 48.7 Ų | 48.7 | 84% | 0.836 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -58.7 | 117.4 | -177.7 | -58.7 | 171.9 | 0 | 0 | 0 | 109.9 | ||
| 382 | L | 92.6 | Very high | 91.7 | Very high | 44 Ų | 44 | 48.9 Ų | 48.9 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -76 | 147.9 | 179.7 | -63.9 | -179.8 | 0 | 0 | 0 | 111.9 | H379 D380 V388 F434 | H379-L382 HydrophobicContact CB-CD2 4.07Å; H379-L382 WeakPolarHBondContact CD2-CG 3.19Å; H379-L382 WeakPolarHBondContact NE2-CD1 3.47Å; D380-L382 PolarHBondContact O-N 3.01Å; D380-L382 VanDerWaalsContact O-N 3.08Å; L382-V388 HydrophobicContact CD1-CB 4.14Å; L382-V388 HydrophobicContact CD1-CG2 3.81Å; L382-V388 HydrophobicContact CD2-CG2 3.69Å; L382-V388 HydrophobicContact CG-CG2 4.42Å; L382-F434 HydrophobicContact CD2-CB 4.2Å; L382-F434 HydrophobicContact CD2-CD1 4.36Å; L382-F434 HydrophobicContact CD2-CD2 3.64Å; L382-F434 HydrophobicContact CD2-CE2 4.03Å; L382-F434 HydrophobicContact CD2-CG 3.82Å |
| 383 | P | 92.6 | Very high | 92.3 | Very high | 23 Ų | 23 | 51.6 Ų | 51.6 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 156.5 | 168.2 | -18.3 | 30.6 | 0 | 0 | 0 | 113.2 | N385 V386 K432 I449 | P383-N385 PolarHBondContact O-N 2.91Å; P383-V386 HydrophobicContact CB-CG2 3.93Å; P383-V386 HydrophobicContact CG-CG2 4.28Å; P383-V386 WeakPolarHBondContact O-CB 3.47Å; P383-V386 WeakPolarHBondContact O-CG2 3.29Å; P383-V386 PolarHBondContact O-N 2.88Å; P383-K432 HydrophobicContact CB-CB 4.28Å; P383-K432 HydrophobicContact CB-CD 3.48Å; P383-K432 VanDerWaalsContact CB-CD 3.48Å; P383-K432 HydrophobicContact CG-CB 3.89Å; P383-K432 HydrophobicContact CG-CD 4.03Å; P383-I449 HydrophobicContact CG-CD1 4.4Å |
| 384 | D | 89.3 | Confident | 92.6 | Very high | 122 Ų | 122 | 51.8 Ų | 51.8 | 65% | 0.652 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 139 | 176.9 | -60.2 | -38.5 | 0 | 0 | 0 | 112.8 | V386 | D384-V386 PolarHBondContact O-N 3.19Š|
| 385 | N | 89.2 | Confident | 92.6 | Very high | 75 Ų | 75 | 55.6 Ų | 55.6 | 40% | 0.401 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 22.2 | -179.8 | -43.5 | -82.7 | 0 | 0 | 0 | 114.3 | P383 V424 D425 K426 | P383-N385 PolarHBondContact O-N 2.91Å; N385-V424 WeakPolarHBondContact O-CA 3.33Å; N385-D425 HydrophobicContact CB-CB 4.28Å; N385-D425 PolarHBondContact O-N 3.45Å; N385-K426 HydrophobicContact CB-CB 4.38Å |
| 386 | V | 94.3 | Very high | 92.6 | Very high | 12 Ų | 12 | 59.4 Ų | 59.4 | 7% | 0.073 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 135.1 | 172 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | P383 D384 V388 V422 T423 V424 M428 I449 | P383-V386 HydrophobicContact CB-CG2 3.93Å; P383-V386 HydrophobicContact CG-CG2 4.28Å; P383-V386 WeakPolarHBondContact O-CB 3.47Å; P383-V386 WeakPolarHBondContact O-CG2 3.29Å; P383-V386 PolarHBondContact O-N 2.88Å; D384-V386 PolarHBondContact O-N 3.19Å; V386-V388 HydrophobicContact CG1-CG2 4.22Å; V386-V422 HydrophobicContact CG1-CG1 4.25Å; V386-T423 WeakPolarHBondContact CA-O 3.49Å; V386-V424 HydrophobicContact CG2-CG2 4.4Å; V386-M428 HydrophobicContact CG2-CE 3.36Å; V386-I449 HydrophobicContact CG1-CD1 4.2Å; V386-I449 HydrophobicContact CG2-CD1 3.48Å; V386-I449 VanDerWaalsContact CG2-CD1 3.48Å |
| 387 | R | 94.9 | Very high | 92.5 | Very high | 124 Ų | 124 | 66.5 Ų | 66.5 | 47% | 0.468 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 133.7 | 173.9 | -66.7 | -175.1 | -74.4 | 154 | 2.5 | 109.8 | V422 T423 D425 | R387-V422 WeakPolarHBondContact O-CA 3.04Å; R387-T423 PolarHBondContact N-O 3.1Å; R387-T423 PolarHBondContact O-N 3.39Å; R387-D425 IonicContact CZ-OD1 3.23Å; R387-D425 IonicContact CZ-OD2 3.59Å; R387-D425 IonicContact NE-OD1 3.74Å; R387-D425 PolarHBondContact NE-OD1 2.8Å; R387-D425 IonicContact NE-OD2 3.72Å; R387-D425 PolarHBondContact NE-OD2 3.42Å; R387-D425 IonicContact NH2-OD1 2.71Å; R387-D425 PolarHBondContact NH2-OD1 2.89Å; R387-D425 IonicContact NH2-OD2 2.62Å |
| 388 | V | 96.5 | Very high | 92.3 | Very high | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.024 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 123.6 | 179.3 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | L382 V386 Y390 V420 T421 V422 F434 | L382-V388 HydrophobicContact CD1-CB 4.14Å; L382-V388 HydrophobicContact CD1-CG2 3.81Å; L382-V388 HydrophobicContact CD2-CG2 3.69Å; L382-V388 HydrophobicContact CG-CG2 4.42Å; V386-V388 HydrophobicContact CG1-CG2 4.22Å; V388-Y390 HydrophobicContact CG1-CE1 4.49Å; V388-Y390 HydrophobicContact CG1-CE2 3.77Å; V388-V420 HydrophobicContact CG1-CG1 3.62Å; V388-T421 CarbonylContact C-O 3.59Å; V388-T421 VanDerWaalsContact CA-O 3.32Å; V388-T421 WeakPolarHBondContact CA-O 3.38Å; V388-V422 HydrophobicContact CG1-CG2 4.37Å; V388-V422 HydrophobicContact CG2-CG2 4.2Å; V388-F434 HydrophobicContact CG2-CE2 3.85Å; V388-F434 HydrophobicContact CG2-CZ 3.74Å |
| 389 | E | 96.1 | Very high | 91.9 | Very high | 88 Ų | 88 | 74.3 Ų | 74.3 | 41% | 0.411 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 148.1 | -179.7 | -56.3 | -178.9 | 154.8 | 0 | 0 | 110.8 | P402 V420 T421 | E389-P402 CarbonylContact C-O 3.53Å; E389-P402 VanDerWaalsContact CA-O 3.27Å; E389-P402 WeakPolarHBondContact CA-O 3.49Å; E389-P402 HydrophobicContact CB-CB 4.43Å; E389-P402 HydrophobicContact CG-CB 4.21Å; E389-V420 CarbonylContact O-C 2.92Å; E389-V420 WeakPolarHBondContact O-CA 3.41Å; E389-T421 PolarHBondContact N-O 2.84Å; E389-T421 PolarHBondContact O-N 3.33Å |
| 390 | Y | 95.8 | Very high | 91.4 | Very high | 20 Ų | 20 | 76.1 Ų | 76.1 | 8% | 0.078 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 136.9 | -175.5 | -60.4 | -97.1 | 0 | 0 | 0 | 111.6 | V377 H379 V388 P402 N403 V420 I436 | V377-Y390 HydrophobicContact CG1-CD1 4.29Å; V377-Y390 HydrophobicContact CG1-CE1 3.91Å; H379-Y390 WeakPolarHBondContact CB-OH 2.97Å; H379-Y390 AromaticContact CE1-CE2 3.74Å; H379-Y390 PolarHBondContact N-OH 3.24Å; H379-Y390 AromaticContact ND1-CE2 3.31Å; H379-Y390 VanDerWaalsContact ND1-CE2 3.31Å; H379-Y390 WeakPolarHBondContact ND1-CE2 3.49Å; H379-Y390 AromaticContact ND1-CZ 3.5Å; H379-Y390 PolarHBondContact ND1-OH 3.35Å; V388-Y390 HydrophobicContact CG1-CE1 4.49Å; V388-Y390 HydrophobicContact CG1-CE2 3.77Å; Y390-P402 PolarHBondContact N-O 3.42Å; Y390-N403 WeakPolarHBondContact CD2-O 3.44Å; Y390-N403 WeakPolarHBondContact CE2-O 3.22Å; Y390-V420 HydrophobicContact CD1-CG2 3.86Å; Y390-V420 HydrophobicContact CE1-CG1 4.19Å; Y390-V420 HydrophobicContact CE1-CG2 3.87Å; Y390-I436 HydrophobicContact CE1-CG2 3.98Å |
| 391 | L | 94.4 | Very high | 91 | Very high | 83 Ų | 83 | 74.8 Ų | 74.8 | 44% | 0.435 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 114.3 | 166.6 | 175.3 | 65.8 | 0 | 0 | 0 | 109.3 | L393 F418 E419 | L391-L393 HydrophobicContact CD2-CD2 4.11Å; L391-L393 HydrophobicContact CG-CD2 4.08Å; L391-F418 CarbonylContact O-C 3.22Å; L391-F418 WeakPolarHBondContact O-CA 3.38Å; L391-E419 HydrophobicContact CB-CB 4.21Å; L391-E419 PolarHBondContact N-O 3.31Å; L391-E419 PolarHBondContact O-N 3.47Å |
| 392 | A | 95.1 | Very high | 90.9 | Very high | 12 Ų | 12 | 70.4 Ų | 70.4 | 10% | 0.099 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 125.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R397 F418 | A392-R397 HydrophobicContact CB-CB 4.33Å; A392-F418 HydrophobicContact CB-CD1 4.01Å; A392-F418 HydrophobicContact CB-CE1 3.96Å |
| 393 | L | 93.8 | Very high | 90.7 | Very high | 75 Ų | 75 | 73 Ų | 73 | 39% | 0.393 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 79.8 | 179.2 | -52.6 | 176.5 | 0 | 0 | 0 | 109.6 | L391 S417 E419 | L391-L393 HydrophobicContact CD2-CD2 4.11Å; L391-L393 HydrophobicContact CG-CD2 4.08Å; L393-S417 WeakPolarHBondContact CA-O 3.31Å; L393-S417 VanDerWaalsContact CB-O 3.26Å; L393-S417 WeakPolarHBondContact CB-O 3.46Å; L393-S417 WeakPolarHBondContact CB-OG 3Å; L393-S417 PolarHBondContact N-O 3.31Å; L393-S417 PolarHBondContact O-N 3.24Å; L393-E419 HydrophobicContact CD1-CB 4.35Å |
| 394 | C | 91.9 | Very high | 90.7 | Very high | 28 Ų | 28 | 75.4 Ų | 75.4 | 19% | 0.189 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -150.7 | 165.6 | 179.3 | 52.8 | 0 | 0 | 0 | 0 | 111 | C407 I416 | C394-C407 HydrophobicContact CB-CB 3.85Å; C394-C407 WeakPolarHBondContact CB-SG 3.42Å; C394-C407 WeakPolarHBondContact SG-CA 3.36Å; C394-C407 WeakPolarHBondContact SG-CB 3.31Å; C394-C407 CovalentContact SG-SG 2.03Å; C394-C407 PolarHBondContact SG-SG 3.3Å; C394-I416 HydrophobicContact CB-CB 4.38Å; C394-I416 HydrophobicContact CB-CG2 3.99Å |
| 395 | E | 89 | Confident | 90.8 | Very high | 141 Ų | 141 | 69.7 Ų | 69.7 | 66% | 0.659 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -62.6 | -47.9 | -178.5 | -74.4 | 167.1 | -165.1 | 0 | 0 | 112.6 | K414 | E395-K414 IonicContact OE1-NZ 2.81Å; E395-K414 PolarHBondContact OE1-NZ 3.09Å; E395-K414 IonicContact OE2-NZ 3.41Å; E395-K414 PolarHBondContact OE2-NZ 3.12Å |
| 396 | H | 90.4 | Very high | 91.1 | Very high | 88 Ų | 88 | 66.2 Ų | 66.2 | 41% | 0.407 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -108.1 | 77.5 | -179.3 | -59.2 | 100.3 | 0 | 0 | 0 | 110.1 | D408 Q409 | H396-D408 HydrophobicContact CB-CB 4.47Å; H396-D408 PolarHBondContact O-N 2.04Å; H396-Q409 PolarHBondContact CE1-OE1 3.29Å |
| 397 | R | 90.8 | Very high | 91 | Very high | 159 Ų | 159 | 65.6 Ų | 65.6 | 60% | 0.6 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 140 | 175 | 68.5 | 178.9 | -175.8 | -101.8 | 0.5 | 111.5 | A392 | A392-R397 HydrophobicContact CB-CB 4.33Å |
| 398 | I | 87.9 | Confident | 90.8 | Very high | 55 Ų | 55 | 61.9 Ų | 61.9 | 28% | 0.282 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.9 | 171 | -53.8 | -179.2 | 0 | 0 | 0 | 108.6 | E400 V406 D408 | I398-E400 HydrophobicContact CG2-CG 3.66Å; I398-E400 PolarHBondContact O-N 2.89Å; I398-V406 HydrophobicContact CB-CB 4.06Å; I398-V406 HydrophobicContact CB-CG1 3.87Å; I398-V406 HydrophobicContact CD1-CG1 4.12Å; I398-V406 HydrophobicContact CG1-CG1 4.27Å; I398-V406 PolarHBondContact N-O 2.66Å; I398-D408 HydrophobicContact CD1-CB 3.71Å; I398-D408 HydrophobicContact CG1-CB 4.1Å |
| 399 | N | 85.4 | Confident | 90.4 | Very high | 138 Ų | 138 | 67.2 Ų | 67.2 | 74% | 0.738 | 34% | 0.343 | S | S | * | . | trans | -90.9 | 92.3 | 177.9 | -66 | -20.7 | 0 | 0 | 0 | 109.9 | ||||
| 400 | E | 81.2 | Confident | 89.9 | Confident | 74 Ų | 74 | 63.3 Ų | 63.3 | 35% | 0.346 | 33% | 0.325 | S | S | . | . | trans | -104.6 | 21.7 | 177 | -61 | -172.5 | -173.2 | 0 | 0 | 113.2 | K374 I398 K404 V406 | K374-E400 IonicContact NZ-OE1 2.93Å; K374-E400 PolarHBondContact NZ-OE1 2.86Å; I398-E400 HydrophobicContact CG2-CG 3.66Å; I398-E400 PolarHBondContact O-N 2.89Å; E400-K404 HydrophobicContact CB-CD 4.3Å; E400-K404 VanDerWaalsContact O-CE 3.31Å; E400-K404 WeakPolarHBondContact O-CE 3.02Å; E400-K404 IonicContact OE2-NZ 2.94Å; E400-K404 PolarHBondContact OE2-NZ 3.11Å; E400-V406 HydrophobicContact CB-CG2 4.37Å; E400-V406 HydrophobicContact CG-CG2 4.29Å | ||
| 401 | G | 81.6 | Confident | 89.3 | Confident | 43 Ų | 43 | 68.8 Ų | 68.8 | 44% | 0.443 | 35% | 0.351 | S | S | . | . | trans | 111.6 | 171.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 402 | P | 86.1 | Confident | 88.5 | Confident | 70 Ų | 70 | 66.6 Ų | 66.6 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -24.1 | -174.8 | 29.1 | -33.3 | 0 | 0 | 0 | 113.4 | E389 Y390 K404 | E389-P402 CarbonylContact C-O 3.53Å; E389-P402 VanDerWaalsContact CA-O 3.27Å; E389-P402 WeakPolarHBondContact CA-O 3.49Å; E389-P402 HydrophobicContact CB-CB 4.43Å; E389-P402 HydrophobicContact CG-CB 4.21Å; Y390-P402 PolarHBondContact N-O 3.42Å; P402-K404 VanDerWaalsContact C-N 3.28Å; P402-K404 PolarHBondContact O-N 3.13Å |
| 403 | N | 88.3 | Confident | 87.7 | Confident | 99 Ų | 99 | 69 Ų | 69 | 53% | 0.529 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -0 | -170.5 | -59.8 | -5.2 | 0 | 0 | 0 | 114.4 | Y390 | Y390-N403 WeakPolarHBondContact CD2-O 3.44Å; Y390-N403 WeakPolarHBondContact CE2-O 3.22Å |
| 404 | K | 92 | Very high | 87.3 | Confident | 74 Ų | 74 | 68.5 Ų | 68.5 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | trans | -149.6 | 144.3 | 178.1 | 52.1 | 176.3 | 159.9 | 169 | 0 | 111.5 | T376 V377 E400 P402 V406 | T376-K404 HydrophobicContact CG2-CB 4.42Å; T376-K404 HydrophobicContact CG2-CD 4.37Å; V377-K404 WeakPolarHBondContact O-CA 3.32Å; E400-K404 HydrophobicContact CB-CD 4.3Å; E400-K404 VanDerWaalsContact O-CE 3.31Å; E400-K404 WeakPolarHBondContact O-CE 3.02Å; E400-K404 IonicContact OE2-NZ 2.94Å; E400-K404 PolarHBondContact OE2-NZ 3.11Å; P402-K404 VanDerWaalsContact C-N 3.28Å; P402-K404 PolarHBondContact O-N 3.13Å; K404-V406 HydrophobicContact CD-CG2 4.34Å; K404-V406 HydrophobicContact CG-CG2 4.44Å | ||
| 405 | G | 93.1 | Very high | 87.2 | Confident | 2 Ų | 2 | 72.3 Ų | 72.3 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 124.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | T376 V377 | T376-G405 CarbonylContact C-O 3.59Å; T376-G405 VanDerWaalsContact CA-O 3.31Å; T376-G405 WeakPolarHBondContact CA-O 3.42Å; V377-G405 PolarHBondContact N-O 3.29Å; V377-G405 PolarHBondContact O-N 3.44Å |
| 406 | V | 93.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 121.6 | -178.1 | -172 | 0 | 0 | 0 | 0 | 111.3 | K374 V375 T376 I398 E400 K404 | K374-V406 HydrophobicContact CD-CG1 4.45Å; K374-V406 VanDerWaalsContact CE-CG1 3.41Å; K374-V406 HydrophobicContact CG-CG1 4.19Å; V375-V406 WeakPolarHBondContact O-CA 3.15Å; T376-V406 HydrophobicContact CG2-CG2 4.05Å; I398-V406 HydrophobicContact CB-CB 4.06Å; I398-V406 HydrophobicContact CB-CG1 3.87Å; I398-V406 HydrophobicContact CD1-CG1 4.12Å; I398-V406 HydrophobicContact CG1-CG1 4.27Å; I398-V406 PolarHBondContact N-O 2.66Å; E400-V406 HydrophobicContact CB-CG2 4.37Å; E400-V406 HydrophobicContact CG-CG2 4.29Å; K404-V406 HydrophobicContact CD-CG2 4.34Å; K404-V406 HydrophobicContact CG-CG2 4.44Å |
| 407 | C | 92.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.2 | 170.3 | -71.5 | 0 | 0 | 0 | 0 | 109.6 | K374 V375 C394 V410 I416 F418 | K374-C407 CarbonylContact C-O 3.59Å; K374-C407 WeakPolarHBondContact CA-O 3.39Å; V375-C407 PolarHBondContact N-O 2.69Å; V375-C407 PolarHBondContact O-N 2.95Å; C394-C407 HydrophobicContact CB-CB 3.85Å; C394-C407 WeakPolarHBondContact CB-SG 3.42Å; C394-C407 WeakPolarHBondContact SG-CA 3.36Å; C394-C407 WeakPolarHBondContact SG-CB 3.31Å; C394-C407 CovalentContact SG-SG 2.03Å; C394-C407 PolarHBondContact SG-SG 3.3Å; C407-V410 HydrophobicContact CB-CG2 3.71Å; C407-I416 HydrophobicContact CB-CD1 3.83Å; C407-F418 HydrophobicContact CB-CZ 4.4Å |
| 408 | D | 90.6 | Very high | 88 | Confident | 45 Ų | 45 | 54.8 Ų | 54.8 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | trans | -106.5 | 165.1 | 176.3 | -162.3 | 13.4 | 0 | 0 | 0 | 111.4 | S373 H396 I398 V410 | S373-D408 CarbonylContact O-C 3.6Å; H396-D408 HydrophobicContact CB-CB 4.47Å; H396-D408 PolarHBondContact O-N 2.04Å; I398-D408 HydrophobicContact CD1-CB 3.71Å; I398-D408 HydrophobicContact CG1-CB 4.1Å; D408-V410 PolarHBondContact O-N 3.01Å; D408-V410 VanDerWaalsContact O-N 3.14Å | ||
| 409 | Q | 87.4 | Confident | 88.4 | Confident | 116 Ų | 116 | 54.8 Ų | 54.8 | 54% | 0.542 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 53.4 | 34.8 | 178.4 | -56.4 | -174.8 | -4.3 | 0 | 0 | 113.9 | S373 H396 Q411 | S373-Q409 PolarHBondContact O-N 3.44Å; S373-Q409 VanDerWaalsContact O-N 3.15Å; H396-Q409 PolarHBondContact CE1-OE1 3.29Å; Q409-Q411 PolarHBondContact O-N 2.87Å |
| 410 | V | 87.4 | Confident | 89 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 4% | 0.036 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 119.3 | 178.6 | -175 | 0 | 0 | 0 | 0 | 109.3 | R128 S373 V375 C407 D408 I416 | R128-V410 PolarHBondContact NH1-O 2.75Å; S373-V410 WeakPolarHBondContact O-CB 3.28Å; S373-V410 WeakPolarHBondContact O-CG2 3.39Å; S373-V410 PolarHBondContact O-N 2.98Å; V375-V410 HydrophobicContact CB-CG2 4.41Å; V375-V410 HydrophobicContact CG2-CB 4.09Å; V375-V410 HydrophobicContact CG2-CG1 4.19Å; V375-V410 HydrophobicContact CG2-CG2 3.95Å; C407-V410 HydrophobicContact CB-CG2 3.71Å; D408-V410 PolarHBondContact O-N 3.01Å; D408-V410 VanDerWaalsContact O-N 3.14Å; V410-I416 HydrophobicContact CG1-CD1 4.21Å; V410-I416 HydrophobicContact CG1-CG2 4.09Å; V410-I416 HydrophobicContact CG2-CD1 3.99Å; V410-I416 HydrophobicContact CG2-CG2 4.38Å |
| 411 | Q | 82.6 | Confident | 89.8 | Confident | 136 Ų | 136 | 45.4 Ų | 45.4 | 64% | 0.636 | 24% | 0.242 | S | C | * | . | P | Polyproline II helix | trans | -80.1 | 156.5 | 177.1 | -64.2 | -178.7 | -6.9 | 0 | 0 | 111.3 | Q409 K414 | Q409-Q411 PolarHBondContact O-N 2.87Å; Q411-K414 HydrophobicContact CB-CB 4.37Å; Q411-K414 PolarHBondContact O-N 3.44Å |
| 412 | A | 76.9 | Confident | 90.5 | Very high | 37 Ų | 37 | 43.3 Ų | 43.3 | 31% | 0.306 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 149.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | R128 K414 | R128-A412 VanDerWaalsContact NH2-N 3.16Å; A412-K414 PolarHBondContact O-N 3.2Å |
| 413 | E | 77.7 | Confident | 90.9 | Very high | 62 Ų | 62 | 40.6 Ų | 40.6 | 29% | 0.29 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | -1.3 | 178.7 | -58.8 | -62.6 | 125 | 0 | 0 | 116 | K127 R128 E130 | K127-E413 WeakPolarHBondContact CE-O 3.34Å; K127-E413 WeakPolarHBondContact CE-OE2 3.48Å; K127-E413 IonicContact NZ-OE2 2.62Å; K127-E413 PolarHBondContact NZ-OE2 3.36Å; R128-E413 PolarHBondContact O-N 2.78Å; R128-E413 VanDerWaalsContact O-N 3.13Å; E130-E413 HydrophobicContact CB-CG 4.42Å; E130-E413 PolarHBondContact N-OE1 3.25Å; E130-E413 VanDerWaalsContact N-OE1 3.11Å |
| 414 | K | 86.4 | Confident | 91.1 | Very high | 65 Ų | 65 | 36 Ų | 36 | 28% | 0.283 | 18% | 0.178 | S | C | . | . | trans | -83.8 | 121 | 172.4 | -168.9 | 169.9 | -173.8 | 164.5 | 0 | 109.8 | E395 Q411 A412 | E395-K414 IonicContact OE1-NZ 2.81Å; E395-K414 PolarHBondContact OE1-NZ 3.09Å; E395-K414 IonicContact OE2-NZ 3.41Å; E395-K414 PolarHBondContact OE2-NZ 3.12Å; Q411-K414 HydrophobicContact CB-CB 4.37Å; Q411-K414 PolarHBondContact O-N 3.44Å; A412-K414 PolarHBondContact O-N 3.2Å | ||
| 415 | E | 90.8 | Very high | 91 | Very high | 108 Ų | 108 | 35.4 Ų | 35.4 | 51% | 0.505 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 130.2 | 171.2 | -173 | -179.6 | 155.9 | 0 | 0 | 109.7 | L93 S125 K127 | L93-E415 HydrophobicContact CD1-CG 4.04Å; S125-E415 VanDerWaalsContact CB-OE1 3.31Å; S125-E415 WeakPolarHBondContact CB-OE1 3.48Å; S125-E415 PolarHBondContact OG-OE1 3.01Å; K127-E415 HydrophobicContact CB-CB 4.48Å |
| 416 | I | 94.3 | Very high | 90.7 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 163.5 | 168.8 | 60.2 | 170.8 | 0 | 0 | 0 | 108.8 | F126 V375 C394 C407 V410 F418 | F126-I416 HydrophobicContact CB-CG1 4.1Å; F126-I416 HydrophobicContact CD1-CD1 4.03Å; F126-I416 HydrophobicContact CD1-CG1 4.03Å; F126-I416 PolarHBondContact N-O 2.92Å; F126-I416 WeakPolarHBondContact O-CG1 3.36Å; F126-I416 PolarHBondContact O-N 3.49Å; F126-I416 VanDerWaalsContact O-O 3.13Å; V375-I416 HydrophobicContact CB-CD1 3.81Å; V375-I416 HydrophobicContact CG1-CD1 3.97Å; V375-I416 HydrophobicContact CG2-CD1 4Å; C394-I416 HydrophobicContact CB-CB 4.38Å; C394-I416 HydrophobicContact CB-CG2 3.99Å; C407-I416 HydrophobicContact CB-CD1 3.83Å; V410-I416 HydrophobicContact CG1-CD1 4.21Å; V410-I416 HydrophobicContact CG1-CG2 4.09Å; V410-I416 HydrophobicContact CG2-CD1 3.99Å; V410-I416 HydrophobicContact CG2-CG2 4.38Å; I416-F418 HydrophobicContact CD1-CE2 3.76Å; I416-F418 HydrophobicContact CD1-CZ 3.72Å; I416-F418 HydrophobicContact CG1-CE2 4.08Å; I416-F418 HydrophobicContact CG1-CZ 4.48Å |
| 417 | S | 95.2 | Very high | 90.5 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 159.9 | 178.5 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | K123 V124 L393 | K123-S417 WeakPolarHBondContact CE-OG 3.5Å; V124-S417 CarbonylContact O-C 3.44Å; V124-S417 WeakPolarHBondContact O-CA 3.31Å; V124-S417 WeakPolarHBondContact O-CB 3.14Å; L393-S417 WeakPolarHBondContact CA-O 3.31Å; L393-S417 VanDerWaalsContact CB-O 3.26Å; L393-S417 WeakPolarHBondContact CB-O 3.46Å; L393-S417 WeakPolarHBondContact CB-OG 3Å; L393-S417 PolarHBondContact N-O 3.31Å; L393-S417 PolarHBondContact O-N 3.24Å |
| 418 | F | 96.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 126.5 | 179.9 | -57.6 | -91.1 | 0 | 0 | 0 | 107.7 | V124 F126 V375 V377 L391 A392 C407 I416 | V124-F418 PolarHBondContact N-O 2.88Å; V124-F418 PolarHBondContact O-N 3.5Å; F126-F418 HydrophobicContact CB-CE2 4.33Å; V375-F418 HydrophobicContact CG1-CE2 4.4Å; V375-F418 HydrophobicContact CG1-CZ 4.13Å; V377-F418 HydrophobicContact CB-CD1 4.38Å; V377-F418 HydrophobicContact CB-CD2 4.38Å; V377-F418 HydrophobicContact CB-CE1 4.38Å; V377-F418 HydrophobicContact CB-CE2 4.4Å; V377-F418 HydrophobicContact CB-CG 4.38Å; V377-F418 HydrophobicContact CB-CZ 4.39Å; V377-F418 HydrophobicContact CG2-CD1 4.37Å; V377-F418 HydrophobicContact CG2-CD2 3.7Å; V377-F418 HydrophobicContact CG2-CE1 4.12Å; V377-F418 HydrophobicContact CG2-CE2 3.42Å; V377-F418 VanDerWaalsContact CG2-CE2 3.42Å; V377-F418 HydrophobicContact CG2-CG 4.17Å; V377-F418 HydrophobicContact CG2-CZ 3.65Å; L391-F418 CarbonylContact O-C 3.22Å; L391-F418 WeakPolarHBondContact O-CA 3.38Å; A392-F418 HydrophobicContact CB-CD1 4.01Å; A392-F418 HydrophobicContact CB-CE1 3.96Å; C407-F418 HydrophobicContact CB-CZ 4.4Å; I416-F418 HydrophobicContact CD1-CE2 3.76Å; I416-F418 HydrophobicContact CD1-CZ 3.72Å; I416-F418 HydrophobicContact CG1-CE2 4.08Å; I416-F418 HydrophobicContact CG1-CZ 4.48Å |
| 419 | E | 96.7 | Very high | 90.1 | Very high | 55 Ų | 55 | 53.1 Ų | 53.1 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 117 | 167.6 | 178.2 | 176.6 | 100.8 | 0 | 0 | 107.5 | K121 L391 L393 | K121-E419 HydrophobicContact CB-CG 4.34Å; K121-E419 HydrophobicContact CD-CG 4.35Å; K121-E419 WeakPolarHBondContact CD-OE1 3.49Å; K121-E419 IonicContact NZ-OE1 2.78Å; K121-E419 PolarHBondContact NZ-OE1 2.76Å; L391-E419 HydrophobicContact CB-CB 4.21Å; L391-E419 PolarHBondContact N-O 3.31Å; L391-E419 PolarHBondContact O-N 3.47Å; L393-E419 HydrophobicContact CD1-CB 4.35Å |
| 420 | V | 97.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 126.5 | -179.4 | -175.7 | 0 | 0 | 0 | 0 | 108 | K121 F122 V124 V388 E389 Y390 V422 I436 | K121-V420 WeakPolarHBondContact CA-O 3.42Å; F122-V420 HydrophobicContact CD2-CB 4.28Å; F122-V420 HydrophobicContact CE1-CB 4.1Å; F122-V420 HydrophobicContact CE1-CG1 4.02Å; F122-V420 HydrophobicContact CE2-CB 3.79Å; F122-V420 HydrophobicContact CE2-CG1 4.21Å; F122-V420 HydrophobicContact CE2-CG2 4.07Å; F122-V420 HydrophobicContact CZ-CB 3.71Å; F122-V420 HydrophobicContact CZ-CG1 3.64Å; F122-V420 HydrophobicContact CZ-CG2 4.35Å; F122-V420 PolarHBondContact N-O 3.38Å; F122-V420 PolarHBondContact O-N 2.75Å; V124-V420 HydrophobicContact CB-CG2 4.43Å; V124-V420 HydrophobicContact CG2-CG2 3.72Å; V388-V420 HydrophobicContact CG1-CG1 3.62Å; E389-V420 CarbonylContact O-C 2.92Å; E389-V420 WeakPolarHBondContact O-CA 3.41Å; Y390-V420 HydrophobicContact CD1-CG2 3.86Å; Y390-V420 HydrophobicContact CE1-CG1 4.19Å; Y390-V420 HydrophobicContact CE1-CG2 3.87Å; V420-V422 HydrophobicContact CG1-CG2 4.15Å; V420-I436 HydrophobicContact CG1-CD1 3.81Å; V420-I436 HydrophobicContact CG2-CD1 4.38Å |
| 421 | T | 97.4 | Very high | 90.4 | Very high | 14 Ų | 14 | 61.3 Ų | 61.3 | 9% | 0.086 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 119.8 | 176 | -53.2 | 0 | 0 | 0 | 0 | 109.2 | P119 H120 K121 V388 E389 | P119-T421 HydrophobicContact CB-CG2 3.59Å; H120-T421 CarbonylContact O-C 3.51Å; H120-T421 VanDerWaalsContact O-CA 3.28Å; H120-T421 WeakPolarHBondContact O-CA 3.37Å; K121-T421 HydrophobicContact CG-CG2 4.1Å; V388-T421 CarbonylContact C-O 3.59Å; V388-T421 VanDerWaalsContact CA-O 3.32Å; V388-T421 WeakPolarHBondContact CA-O 3.38Å; E389-T421 PolarHBondContact N-O 2.84Å; E389-T421 PolarHBondContact O-N 3.33Å |
| 422 | V | 96.8 | Very high | 91 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.8 | 177.3 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | L112 L114 H120 F122 V386 R387 V388 V420 F434 | L112-V422 HydrophobicContact CD1-CB 4.23Å; L112-V422 HydrophobicContact CD1-CG1 4.45Å; L112-V422 HydrophobicContact CD1-CG2 4.23Å; L114-V422 HydrophobicContact CD1-CB 4.34Å; L114-V422 HydrophobicContact CD1-CG1 3.7Å; H120-V422 PolarHBondContact N-O 2.9Å; H120-V422 PolarHBondContact O-N 2.72Å; F122-V422 HydrophobicContact CE1-CG2 3.62Å; F122-V422 HydrophobicContact CZ-CG2 4.27Å; V386-V422 HydrophobicContact CG1-CG1 4.25Å; R387-V422 WeakPolarHBondContact O-CA 3.04Å; V388-V422 HydrophobicContact CG1-CG2 4.37Å; V388-V422 HydrophobicContact CG2-CG2 4.2Å; V420-V422 HydrophobicContact CG1-CG2 4.15Å; V422-F434 HydrophobicContact CG1-CZ 4.44Å; V422-F434 HydrophobicContact CG2-CZ 4.11Å |
| 423 | T | 94.8 | Very high | 91.9 | Very high | 13 Ų | 13 | 60.3 Ų | 60.3 | 8% | 0.08 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 135.3 | 177.1 | -50.9 | 0 | 0 | 0 | 0 | 109.6 | P119 V386 R387 | P119-T423 WeakPolarHBondContact CB-OG1 3.34Å; V386-T423 WeakPolarHBondContact CA-O 3.49Å; R387-T423 PolarHBondContact N-O 3.1Å; R387-T423 PolarHBondContact O-N 3.39Å |
| 424 | V | 93.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127 | 173.6 | 173.6 | 0 | 0 | 0 | 0 | 107.8 | L114 P116 G117 N385 V386 K426 M428 I449 T451 | L114-V424 HydrophobicContact CB-CG2 4.27Å; L114-V424 HydrophobicContact CD1-CG2 3.69Å; P116-V424 CarbonylContact C-O 3.6Å; P116-V424 WeakPolarHBondContact CA-O 3.31Å; G117-V424 PolarHBondContact N-O 2.87Å; N385-V424 WeakPolarHBondContact O-CA 3.33Å; V386-V424 HydrophobicContact CG2-CG2 4.4Å; V424-K426 WeakPolarHBondContact CG1-O 3.45Å; V424-M428 HydrophobicContact CB-CE 4.48Å; V424-M428 HydrophobicContact CG1-CE 3.67Å; V424-M428 HydrophobicContact CG2-CE 3.98Å; V424-I449 HydrophobicContact CG2-CD1 4.41Å; V424-T451 HydrophobicContact CG1-CG2 3.73Å |
| 425 | D | 88.6 | Confident | 93.2 | Very high | 63 Ų | 63 | 55.5 Ų | 55.5 | 34% | 0.337 | 28% | 0.278 | S | S | . | . | trans | -88.3 | -21.7 | -174.8 | -62.6 | -43.5 | 0 | 0 | 0 | 113.1 | N385 R387 | N385-D425 HydrophobicContact CB-CB 4.28Å; N385-D425 PolarHBondContact O-N 3.45Å; R387-D425 IonicContact CZ-OD1 3.23Å; R387-D425 IonicContact CZ-OD2 3.59Å; R387-D425 IonicContact NE-OD1 3.74Å; R387-D425 PolarHBondContact NE-OD1 2.8Å; R387-D425 IonicContact NE-OD2 3.72Å; R387-D425 PolarHBondContact NE-OD2 3.42Å; R387-D425 IonicContact NH2-OD1 2.71Å; R387-D425 PolarHBondContact NH2-OD1 2.89Å; R387-D425 IonicContact NH2-OD2 2.62Å | ||
| 426 | K | 87.9 | Confident | 93.5 | Very high | 131 Ų | 131 | 50.4 Ų | 50.4 | 57% | 0.57 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -138.7 | 154.1 | -177.9 | -65.1 | -174.1 | -177.6 | 175.4 | 0 | 112.6 | N385 V424 | N385-K426 HydrophobicContact CB-CB 4.38Å; V424-K426 WeakPolarHBondContact CG1-O 3.45Å |
| 427 | C | 88.6 | Confident | 93.4 | Very high | 56 Ų | 56 | 51.4 Ų | 51.4 | 38% | 0.378 | 26% | 0.262 | S | S | . | . | trans | -59.7 | 138.6 | 172.8 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | T38 C453 | T38-C427 VanDerWaalsContact CG2-SG 3.52Å; C427-C453 VanDerWaalsContact CA-SG 3.57Å; C427-C453 HydrophobicContact CB-CB 4.08Å; C427-C453 WeakPolarHBondContact CB-SG 3.41Å; C427-C453 WeakPolarHBondContact SG-CB 3.21Å; C427-C453 CovalentContact SG-SG 2.02Å; C427-C453 PolarHBondContact SG-SG 2.85Å | ||
| 428 | M | 88.6 | Confident | 93.1 | Very high | 30 Ų | 30 | 50.9 Ų | 50.9 | 15% | 0.148 | 26% | 0.258 | C | S | . | . | trans | -104.6 | 140.6 | 175.8 | -59.5 | -175.3 | 179.2 | 0 | 0 | 109.6 | V386 V424 K432 I449 T451 | V386-M428 HydrophobicContact CG2-CE 3.36Å; V424-M428 HydrophobicContact CB-CE 4.48Å; V424-M428 HydrophobicContact CG1-CE 3.67Å; V424-M428 HydrophobicContact CG2-CE 3.98Å; M428-K432 HydrophobicContact SD-CD 4.16Å; M428-K432 HydrophobicContact SD-CG 4.18Å; M428-I449 HydrophobicContact CE-CD1 3.58Å; M428-I449 HydrophobicContact CE-CG1 4.41Å; M428-I449 HydrophobicContact SD-CD1 3.98Å; M428-I449 HydrophobicContact SD-CG1 4.18Å; M428-T451 HydrophobicContact CB-CG2 4.01Å; M428-T451 HydrophobicContact CG-CG2 3.77Å; M428-T451 PolarHBondContact N-OG1 2.88Å; M428-T451 PolarHBondContact O-OG1 2.93Å; M428-T451 HydrophobicContact SD-CG2 4.42Å | ||
| 429 | E | 86.3 | Confident | 92.6 | Very high | 202 Ų | 202 | 52 Ų | 52 | 94% | 0.944 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -79.4 | -35 | 174.6 | -63.7 | -174.4 | 173.3 | 0 | 0 | 111.7 | ||
| 430 | E | 89.8 | Confident | 91.7 | Very high | 153 Ų | 153 | 49.8 Ų | 49.8 | 72% | 0.715 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -123.7 | 155.2 | -177.6 | -62.4 | -176.4 | 170.7 | 0 | 0 | 111.3 | ||
| 431 | E | 92.8 | Very high | 91 | Very high | 141 Ų | 141 | 51 Ų | 51 | 66% | 0.659 | 26% | 0.262 | S | S | * | . | trans | -68.1 | 138.7 | 172.5 | -58 | -171.5 | 158.5 | 0 | 0 | 110.3 | T448 I449 | E431-T448 HydrophobicContact CB-CG2 4.44Å; E431-I449 WeakPolarHBondContact CA-O 3.38Å | ||
| 432 | K | 94.6 | Very high | 90.3 | Very high | 75 Ų | 75 | 54.3 Ų | 54.3 | 33% | 0.326 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 158.5 | 178.4 | -57.6 | -165.4 | -176.9 | -178 | 0 | 110.1 | P383 M428 T448 I449 | P383-K432 HydrophobicContact CB-CB 4.28Å; P383-K432 HydrophobicContact CB-CD 3.48Å; P383-K432 VanDerWaalsContact CB-CD 3.48Å; P383-K432 HydrophobicContact CG-CB 3.89Å; P383-K432 HydrophobicContact CG-CD 4.03Å; M428-K432 HydrophobicContact SD-CD 4.16Å; M428-K432 HydrophobicContact SD-CG 4.18Å; K432-T448 CarbonylContact O-C 3.55Å; K432-T448 WeakPolarHBondContact O-CA 3.49Å; K432-I449 HydrophobicContact CB-CD1 4.38Å; K432-I449 HydrophobicContact CB-CG1 4.01Å; K432-I449 PolarHBondContact N-O 3.25Å; K432-I449 WeakPolarHBondContact O-CG1 2.97Å; K432-I449 PolarHBondContact O-N 2.87Å |
| 433 | S | 95.7 | Very high | 89.8 | Confident | 78 Ų | 78 | 55.9 Ų | 55.9 | 55% | 0.545 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 145.7 | 177.9 | 63.2 | 0 | 0 | 0 | 0 | 111.7 | V447 | S433-V447 VanDerWaalsContact CA-O 3.28Å; S433-V447 WeakPolarHBondContact CA-O 3.32Å |
| 434 | F | 96.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 166.6 | 170.3 | 68.3 | -87.2 | 0 | 0 | 0 | 109.1 | H379 D380 L382 V388 V422 I436 V447 I449 | H379-F434 HydrophobicContact CB-CD2 4.2Å; D380-F434 WeakPolarHBondContact OD1-CB 3.03Å; L382-F434 HydrophobicContact CD2-CB 4.2Å; L382-F434 HydrophobicContact CD2-CD1 4.36Å; L382-F434 HydrophobicContact CD2-CD2 3.64Å; L382-F434 HydrophobicContact CD2-CE2 4.03Å; L382-F434 HydrophobicContact CD2-CG 3.82Å; V388-F434 HydrophobicContact CG2-CE2 3.85Å; V388-F434 HydrophobicContact CG2-CZ 3.74Å; V422-F434 HydrophobicContact CG1-CZ 4.44Å; V422-F434 HydrophobicContact CG2-CZ 4.11Å; F434-I436 HydrophobicContact CD2-CG1 4.21Å; F434-I436 HydrophobicContact CE2-CD1 3.92Å; F434-I436 HydrophobicContact CE2-CG1 3.75Å; F434-V447 HydrophobicContact CD1-CB 4.27Å; F434-V447 HydrophobicContact CE1-CB 3.83Å; F434-V447 HydrophobicContact CE1-CG1 3.78Å; F434-V447 HydrophobicContact CE2-CB 4.11Å; F434-V447 HydrophobicContact CE2-CG2 4.17Å; F434-V447 HydrophobicContact CZ-CB 3.74Å; F434-V447 HydrophobicContact CZ-CG1 3.8Å; F434-V447 HydrophobicContact CZ-CG2 4.11Å; F434-V447 PolarHBondContact N-O 3.14Å; F434-V447 VanDerWaalsContact N-O 3.08Å; F434-V447 PolarHBondContact O-N 2.82Å; F434-I449 HydrophobicContact CE1-CG2 3.89Å |
| 435 | T | 95.5 | Very high | 89.8 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 15% | 0.153 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 142.5 | -179.2 | 66.6 | 0 | 0 | 0 | 0 | 112.1 | H379 D380 K444 L445 | H379-T435 CarbonylContact C-O 3.45Å; H379-T435 WeakPolarHBondContact CA-O 3.46Å; H379-T435 WeakPolarHBondContact CB-O 3.09Å; D380-T435 VanDerWaalsContact CG-N 3.32Å; D380-T435 PolarHBondContact N-O 3.2Å; D380-T435 PolarHBondContact OD1-N 2.94Å; D380-T435 WeakPolarHBondContact OD2-CB 3.1Å; D380-T435 PolarHBondContact OD2-N 3.19Å; D380-T435 PolarHBondContact OD2-OG1 3.29Å; T435-K444 HydrophobicContact CG2-CD 4.27Å; T435-L445 CarbonylContact C-O 3.54Å; T435-L445 VanDerWaalsContact CA-O 3.3Å; T435-L445 WeakPolarHBondContact CA-O 2.99Å |
| 436 | I | 95.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.7 | 172.9 | -59.7 | 177.2 | 0 | 0 | 0 | 107.1 | M105 F122 V377 T378 H379 Y390 V420 F434 K444 L445 V447 | M105-I436 HydrophobicContact CE-CB 4.38Å; M105-I436 HydrophobicContact CE-CG2 3.98Å; M105-I436 WeakPolarHBondContact CE-O 2.97Å; F122-I436 HydrophobicContact CE2-CD1 4.38Å; F122-I436 HydrophobicContact CZ-CD1 3.93Å; V377-I436 HydrophobicContact CG1-CG2 3.49Å; V377-I436 VanDerWaalsContact CG1-CG2 3.49Å; T378-I436 CarbonylContact O-C 3.49Å; T378-I436 WeakPolarHBondContact O-CA 3.43Å; T378-I436 WeakPolarHBondContact O-CG2 3.41Å; H379-I436 HydrophobicContact CB-CG1 4.33Å; Y390-I436 HydrophobicContact CE1-CG2 3.98Å; V420-I436 HydrophobicContact CG1-CD1 3.81Å; V420-I436 HydrophobicContact CG2-CD1 4.38Å; F434-I436 HydrophobicContact CD2-CG1 4.21Å; F434-I436 HydrophobicContact CE2-CD1 3.92Å; F434-I436 HydrophobicContact CE2-CG1 3.75Å; I436-K444 CarbonylContact O-C 3.57Å; I436-K444 WeakPolarHBondContact O-CA 3.37Å; I436-L445 HydrophobicContact CB-CB 4.34Å; I436-L445 HydrophobicContact CD1-CD2 4.42Å; I436-L445 PolarHBondContact N-O 2.75Å; I436-L445 PolarHBondContact O-N 2.83Å; I436-V447 HydrophobicContact CD1-CG2 3.96Å; I436-V447 HydrophobicContact CG1-CG2 4.32Å |
| 437 | S | 91.8 | Very high | 90.7 | Very high | 28 Ų | 28 | 53.2 Ų | 53.2 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 150.6 | 179 | 52.2 | 0 | 0 | 0 | 0 | 112.3 | T378 | T378-S437 PolarHBondContact N-O 2.82Å; T378-S437 VanDerWaalsContact N-O 3.1Å; T378-S437 PolarHBondContact O-N 2.86Å |
| 438 | P | 90.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 134.4 | 164.4 | 10.1 | 3.3 | 0 | 0 | 0 | 109.8 | M105 F126 V375 T376 V377 G440 I441 D443 | M105-P438 HydrophobicContact SD-CG 4.4Å; F126-P438 HydrophobicContact CD2-CB 4.35Å; F126-P438 HydrophobicContact CD2-CG 3.68Å; F126-P438 HydrophobicContact CE2-CB 4.17Å; F126-P438 HydrophobicContact CE2-CG 3.65Å; V375-P438 HydrophobicContact CG1-CB 4.3Å; T376-P438 CarbonylContact O-C 3.56Å; T376-P438 VanDerWaalsContact O-CA 3.29Å; T376-P438 WeakPolarHBondContact O-CA 3.44Å; V377-P438 HydrophobicContact CG2-CB 4.21Å; P438-G440 PolarHBondContact O-N 2.78Å; P438-I441 HydrophobicContact CB-CB 4.17Å; P438-I441 HydrophobicContact CB-CG1 4.08Å; P438-I441 HydrophobicContact CG-CB 3.91Å; P438-I441 HydrophobicContact CG-CG1 4.22Å; P438-I441 HydrophobicContact CG-CG2 4.24Å; P438-I441 PolarHBondContact O-N 2.93Å; P438-D443 VanDerWaalsContact CD-O 3.25Å; P438-D443 WeakPolarHBondContact CD-O 3.31Å |
| 439 | L | 85.6 | Confident | 91.5 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 12% | 0.12 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 127.4 | 178.2 | -68.4 | -179.7 | 0 | 0 | 0 | 111.3 | E320 P346 K347 T376 T378 | E320-L439 HydrophobicContact CG-CD2 4.27Å; E320-L439 VanDerWaalsContact OE1-CD2 3.26Å; E320-L439 WeakPolarHBondContact OE1-CD2 3.27Å; P346-L439 HydrophobicContact CB-CD1 4.34Å; K347-L439 HydrophobicContact CD-CB 4.34Å; K347-L439 WeakPolarHBondContact CE-O 3.38Å; K347-L439 HydrophobicContact CG-CB 3.66Å; K347-L439 HydrophobicContact CG-CD1 4.12Å; T376-L439 HydrophobicContact CG2-CD1 3.74Å; T376-L439 HydrophobicContact CG2-CG 4.27Å; T376-L439 PolarHBondContact O-N 2.88Å; T378-L439 HydrophobicContact CG2-CD2 3.59Å; T378-L439 HydrophobicContact CG2-CG 4.04Å |
| 440 | G | 78.7 | Confident | 91.9 | Very high | 10 Ų | 10 | 42.4 Ų | 42.4 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 13.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q325 P438 | Q325-G440 PolarHBondContact NE2-O 2.86Å; P438-G440 PolarHBondContact O-N 2.78Å |
| 441 | I | 81.7 | Confident | 92 | Very high | 25 Ų | 25 | 36.3 Ų | 36.3 | 13% | 0.128 | 19% | 0.193 | C | C | . | . | trans | -122.1 | 140.6 | 175.6 | -56.1 | -65.3 | 0 | 0 | 0 | 109 | F126 P438 D443 | F126-I441 HydrophobicContact CE2-CG1 4.2Å; F126-I441 HydrophobicContact CE2-CG2 4.27Å; F126-I441 HydrophobicContact CZ-CG1 4.23Å; P438-I441 HydrophobicContact CB-CB 4.17Å; P438-I441 HydrophobicContact CB-CG1 4.08Å; P438-I441 HydrophobicContact CG-CB 3.91Å; P438-I441 HydrophobicContact CG-CG1 4.22Å; P438-I441 HydrophobicContact CG-CG2 4.24Å; P438-I441 PolarHBondContact O-N 2.93Å; I441-D443 HydrophobicContact CG2-CB 4.34Å | ||
| 442 | K | 82.6 | Confident | 91.8 | Very high | 83 Ų | 83 | 30.8 Ų | 30.8 | 36% | 0.361 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -65.3 | -38.9 | -178.9 | -177.9 | -162.9 | 179.3 | 178.4 | 0 | 113.2 | E101 N261 S262 K444 | E101-K442 IonicContact OE1-NZ 2.82Å; E101-K442 IonicContact OE2-NZ 2.81Å; E101-K442 PolarHBondContact OE2-NZ 2.89Å; N261-K442 WeakPolarHBondContact O-CD 3.23Å; S262-K442 PolarHBondContact OG-NZ 2.69Å; K442-K444 PolarHBondContact O-N 2.86Å |
| 443 | D | 86.9 | Confident | 91.3 | Very high | 34 Ų | 34 | 27.7 Ų | 27.7 | 18% | 0.182 | 16% | 0.156 | C | C | . | . | trans | -67 | 134 | -171.9 | -63.5 | -15.8 | 0 | 0 | 0 | 111.2 | Q104 M105 P438 I441 | Q104-D443 WeakPolarHBondContact CA-OD2 3.26Å; Q104-D443 WeakPolarHBondContact CB-OD2 3.44Å; Q104-D443 PolarHBondContact N-OD2 2.89Å; M105-D443 HydrophobicContact CB-CB 3.83Å; P438-D443 VanDerWaalsContact CD-O 3.25Å; P438-D443 WeakPolarHBondContact CD-O 3.31Å; I441-D443 HydrophobicContact CG2-CB 4.34Å | ||
| 444 | K | 92.4 | Very high | 90.7 | Very high | 115 Ų | 115 | 29.1 Ų | 29.1 | 50% | 0.5 | 15% | 0.154 | S | C | . | . | trans | -138.9 | 149.3 | -177.4 | 64 | -175.3 | -178.7 | 177.2 | 0 | 110.8 | T435 I436 K442 | T435-K444 HydrophobicContact CG2-CD 4.27Å; I436-K444 CarbonylContact O-C 3.57Å; I436-K444 WeakPolarHBondContact O-CA 3.37Å; K442-K444 PolarHBondContact O-N 2.86Å | ||
| 445 | L | 96.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 123.1 | 168 | 165.9 | 58.8 | 0 | 0 | 0 | 108.6 | M105 P107 Q108 I110 F122 V124 T435 I436 V447 | M105-L445 HydrophobicContact CE-CB 3.53Å; M105-L445 HydrophobicContact SD-CB 4.36Å; P107-L445 HydrophobicContact CG-CD1 4.24Å; P107-L445 WeakPolarHBondContact O-CD1 3.34Å; Q108-L445 WeakPolarHBondContact O-CA 3.34Å; I110-L445 HydrophobicContact CB-CD1 4.35Å; I110-L445 HydrophobicContact CD1-CD1 4.04Å; I110-L445 HydrophobicContact CD1-CD2 3.99Å; I110-L445 HydrophobicContact CG1-CD1 3.82Å; F122-L445 HydrophobicContact CD2-CD2 4.45Å; F122-L445 HydrophobicContact CE2-CD2 3.58Å; F122-L445 HydrophobicContact CZ-CD2 4.28Å; V124-L445 HydrophobicContact CG2-CD2 3.67Å; T435-L445 CarbonylContact C-O 3.54Å; T435-L445 VanDerWaalsContact CA-O 3.3Å; T435-L445 WeakPolarHBondContact CA-O 2.99Å; I436-L445 HydrophobicContact CB-CB 4.34Å; I436-L445 HydrophobicContact CD1-CD2 4.42Å; I436-L445 PolarHBondContact N-O 2.75Å; I436-L445 PolarHBondContact O-N 2.83Å; L445-V447 HydrophobicContact CD1-CG2 4.41Å; L445-V447 HydrophobicContact CD2-CG2 4.08Å; L445-V447 HydrophobicContact CG-CG2 3.84Å |
| 446 | T | 97.4 | Very high | 89.6 | Confident | 37 Ų | 37 | 36 Ų | 36 | 23% | 0.227 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 124.6 | 169.1 | -51 | 0 | 0 | 0 | 0 | 109.1 | Q108 K109 I110 | Q108-T446 PolarHBondContact O-N 2.77Å; K109-T446 WeakPolarHBondContact CA-O 3.43Å; I110-T446 PolarHBondContact N-O 2.82Å |
| 447 | V | 97.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 113 | 177.7 | -173.9 | 0 | 0 | 0 | 0 | 108.4 | I110 L112 F122 S433 F434 I436 L445 I449 | I110-V447 WeakPolarHBondContact O-CA 3.47Å; L112-V447 HydrophobicContact CD1-CG1 3.64Å; L112-V447 HydrophobicContact CG-CG1 4.05Å; F122-V447 HydrophobicContact CZ-CG2 4.13Å; S433-V447 VanDerWaalsContact CA-O 3.28Å; S433-V447 WeakPolarHBondContact CA-O 3.32Å; F434-V447 HydrophobicContact CD1-CB 4.27Å; F434-V447 HydrophobicContact CE1-CB 3.83Å; F434-V447 HydrophobicContact CE1-CG1 3.78Å; F434-V447 HydrophobicContact CE2-CB 4.11Å; F434-V447 HydrophobicContact CE2-CG2 4.17Å; F434-V447 HydrophobicContact CZ-CB 3.74Å; F434-V447 HydrophobicContact CZ-CG1 3.8Å; F434-V447 HydrophobicContact CZ-CG2 4.11Å; F434-V447 PolarHBondContact N-O 3.14Å; F434-V447 VanDerWaalsContact N-O 3.08Å; F434-V447 PolarHBondContact O-N 2.82Å; I436-V447 HydrophobicContact CD1-CG2 3.96Å; I436-V447 HydrophobicContact CG1-CG2 4.32Å; L445-V447 HydrophobicContact CD1-CG2 4.41Å; L445-V447 HydrophobicContact CD2-CG2 4.08Å; L445-V447 HydrophobicContact CG-CG2 3.84Å; V447-I449 HydrophobicContact CG1-CG2 3.99Å |
| 448 | T | 97.4 | Very high | 88.2 | Confident | 34 Ų | 34 | 42 Ų | 42 | 21% | 0.209 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 133.3 | 170.6 | -38.8 | 0 | 0 | 0 | 0 | 108.5 | I110 D111 L112 E431 K432 | I110-T448 PolarHBondContact O-N 3.15Å; D111-T448 CarbonylContact C-O 3.59Å; D111-T448 WeakPolarHBondContact CA-O 3.46Å; D111-T448 WeakPolarHBondContact OD1-CB 3.42Å; D111-T448 PolarHBondContact OD1-OG1 2.89Å; L112-T448 PolarHBondContact N-O 2.92Å; E431-T448 HydrophobicContact CB-CG2 4.44Å; K432-T448 CarbonylContact O-C 3.55Å; K432-T448 WeakPolarHBondContact O-CA 3.49Å |
| 449 | I | 96.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 136.4 | -179.6 | 61.2 | 175.1 | 0 | 0 | 0 | 111 | L112 L114 P383 V386 V424 M428 E431 K432 F434 V447 | L112-I449 HydrophobicContact CB-CG2 4.28Å; L112-I449 HydrophobicContact CD1-CG2 4.48Å; L112-I449 CarbonylContact O-C 3.48Å; L112-I449 WeakPolarHBondContact O-CA 3.3Å; L114-I449 HydrophobicContact CD1-CG2 4.34Å; P383-I449 HydrophobicContact CG-CD1 4.4Å; V386-I449 HydrophobicContact CG1-CD1 4.2Å; V386-I449 HydrophobicContact CG2-CD1 3.48Å; V386-I449 VanDerWaalsContact CG2-CD1 3.48Å; V424-I449 HydrophobicContact CG2-CD1 4.41Å; M428-I449 HydrophobicContact CE-CD1 3.58Å; M428-I449 HydrophobicContact CE-CG1 4.41Å; M428-I449 HydrophobicContact SD-CD1 3.98Å; M428-I449 HydrophobicContact SD-CG1 4.18Å; E431-I449 WeakPolarHBondContact CA-O 3.38Å; K432-I449 HydrophobicContact CB-CD1 4.38Å; K432-I449 HydrophobicContact CB-CG1 4.01Å; K432-I449 PolarHBondContact N-O 3.25Å; K432-I449 WeakPolarHBondContact O-CG1 2.97Å; K432-I449 PolarHBondContact O-N 2.87Å; F434-I449 HydrophobicContact CE1-CG2 3.89Å; V447-I449 HydrophobicContact CG1-CG2 3.99Å |
| 450 | S | 95 | Very high | 86.8 | Confident | 25 Ų | 25 | 46.9 Ų | 46.9 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 161.2 | 169.2 | 65.3 | 0 | 0 | 0 | 0 | 109.7 | L112 K113 L114 | L112-S450 PolarHBondContact O-N 3.42Å; K113-S450 CarbonylContact C-O 3.48Å; K113-S450 WeakPolarHBondContact CA-O 3.22Å; K113-S450 WeakPolarHBondContact CB-OG 3.31Å; L114-S450 PolarHBondContact N-O 3.4Å |
| 451 | T | 92.1 | Very high | 86.1 | Confident | 25 Ų | 25 | 55.4 Ų | 55.4 | 15% | 0.153 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 141 | -179.7 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | L114 V424 M428 | L114-T451 CarbonylContact O-C 3.57Å; L114-T451 WeakPolarHBondContact O-CA 3.46Å; V424-T451 HydrophobicContact CG1-CG2 3.73Å; M428-T451 HydrophobicContact CB-CG2 4.01Å; M428-T451 HydrophobicContact CG-CG2 3.77Å; M428-T451 PolarHBondContact N-OG1 2.88Å; M428-T451 PolarHBondContact O-OG1 2.93Å; M428-T451 HydrophobicContact SD-CG2 4.42Å |
| 452 | N | 86.9 | Confident | 85.2 | Confident | 26 Ų | 26 | 58.1 Ų | 58.1 | 14% | 0.139 | 32% | 0.319 | C | S | . | . | trans | -105.9 | 82.1 | 175.2 | -164.3 | 14.1 | 0 | 0 | 0 | 111 | K113 L114 | K113-N452 HydrophobicContact CD-CB 4.43Å; K113-N452 HydrophobicContact CG-CB 3.9Å; L114-N452 PolarHBondContact O-N 3.35Å | ||
| 453 | C | 84.4 | Confident | 84.7 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 7% | 0.068 | 32% | 0.323 | C | S | . | . | trans | -101.8 | -15.2 | -175.6 | -62.5 | 0 | 0 | 0 | 0 | 114.6 | T38 P116 C427 | T38-C453 HydrophobicContact CG2-CB 4.32Å; P116-C453 WeakPolarHBondContact CG-SG 3.47Å; C427-C453 VanDerWaalsContact CA-SG 3.57Å; C427-C453 HydrophobicContact CB-CB 4.08Å; C427-C453 WeakPolarHBondContact CB-SG 3.41Å; C427-C453 WeakPolarHBondContact SG-CB 3.21Å; C427-C453 CovalentContact SG-SG 2.02Å; C427-C453 PolarHBondContact SG-SG 2.85Å | ||
| 454 | E | 83.4 | Confident | 84.5 | Confident | 108 Ų | 108 | 59.7 Ų | 59.7 | 51% | 0.505 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -88.7 | 147.3 | -177.2 | -64.5 | -60.6 | 155.4 | 0 | 0 | 111.6 | K34 | K34-E454 WeakPolarHBondContact CD-OE1 3.3Å; K34-E454 VanDerWaalsContact CE-OE1 3.3Å; K34-E454 WeakPolarHBondContact CE-OE1 3.42Å; K34-E454 IonicContact NZ-OE1 2.75Å; K34-E454 PolarHBondContact NZ-OE1 3.42Å |
| 455 | C | 85.3 | Confident | 84.1 | Confident | 22 Ų | 22 | 56.9 Ų | 56.9 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | trans | -91.3 | 124.3 | 175.1 | -65.4 | 0 | 0 | 0 | 0 | 111 | C33 I79 C457 | C33-C455 HydrophobicContact CB-CB 3.75Å; C33-C455 WeakPolarHBondContact CB-SG 3.49Å; C33-C455 PolarHBondContact O-SG 3.42Å; C33-C455 WeakPolarHBondContact SG-CB 3.45Å; C33-C455 CovalentContact SG-SG 2.02Å; C33-C455 PolarHBondContact SG-SG 3.28Å; I79-C455 HydrophobicContact CD1-CB 4.33Å; I79-C455 HydrophobicContact CG2-CB 4.11Å; C455-C457 WeakPolarHBondContact CB-SG 3.27Å; C455-C457 PolarHBondContact O-N 3.3Å | ||
| 456 | Q | 83.2 | Confident | 83.7 | Confident | 149 Ų | 149 | 63.6 Ų | 63.6 | 70% | 0.696 | 36% | 0.359 | S | S | * | . | trans | -89.1 | 85.5 | 173.1 | -66.5 | -179.5 | -7.6 | 0 | 0 | 109.8 | ||||
| 457 | C | 81.1 | Confident | 83.1 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | trans | -86.4 | -15.2 | -171.5 | -58.7 | 0 | 0 | 0 | 0 | 114 | K47 I79 C455 D459 C476 | K47-C457 PolarHBondContact NZ-O 2.61Å; I79-C457 HydrophobicContact CD1-CB 4.07Å; I79-C457 WeakPolarHBondContact CD1-SG 3.45Å; C455-C457 WeakPolarHBondContact CB-SG 3.27Å; C455-C457 PolarHBondContact O-N 3.3Å; C457-D459 VanDerWaalsContact C-N 3.26Å; C457-D459 VanDerWaalsContact CB-OD2 3.24Å; C457-D459 WeakPolarHBondContact CB-OD2 3.28Å; C457-D459 PolarHBondContact O-N 3.18Å; C457-C476 HydrophobicContact CB-CB 3.87Å; C457-C476 WeakPolarHBondContact CB-SG 3.44Å; C457-C476 VanDerWaalsContact SG-CA 3.58Å; C457-C476 WeakPolarHBondContact SG-CB 3.25Å; C457-C476 CovalentContact SG-SG 2.01Å; C457-C476 PolarHBondContact SG-SG 2.97Å | ||
| 458 | N | 77.3 | Confident | 82.6 | Confident | 147 Ų | 147 | 63.1 Ų | 63.1 | 79% | 0.786 | 35% | 0.354 | S | S | * | . | trans | 52.2 | 43.6 | -173.4 | -60.3 | -18.6 | 0 | 0 | 0 | 112 | ||||
| 459 | D | 77.2 | Confident | 82 | Confident | 50 Ų | 50 | 66 Ų | 66 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 144.8 | -179.9 | -60.4 | -50.3 | 0 | 0 | 0 | 111 | C457 E461 T475 C476 | C457-D459 VanDerWaalsContact C-N 3.26Å; C457-D459 VanDerWaalsContact CB-OD2 3.24Å; C457-D459 WeakPolarHBondContact CB-OD2 3.28Å; C457-D459 PolarHBondContact O-N 3.18Å; D459-E461 PolarHBondContact O-N 3.39Å; D459-T475 VanDerWaalsContact OD2-CA 3.31Å; D459-T475 WeakPolarHBondContact OD2-CA 3.2Å; D459-C476 VanDerWaalsContact CG-N 3.28Å; D459-C476 PolarHBondContact OD1-N 3.32Å; D459-C476 VanDerWaalsContact OD1-N 3.1Å; D459-C476 PolarHBondContact OD2-N 2.79Å |
| 460 | P | 68.6 | Low | 81.5 | Confident | 77 Ų | 77 | 69 Ų | 69 | 50% | 0.5 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 122.3 | 172.9 | 21.9 | -26.8 | 0 | 0 | 0 | 110.5 | G462 | P460-G462 PolarHBondContact O-N 3.26Š|
| 461 | E | 64 | Low | 81 | Confident | 189 Ų | 189 | 69 Ų | 69 | 88% | 0.883 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 127.8 | -176.7 | -76.8 | -174.7 | 160.8 | 0 | 0 | 112.5 | D459 S463 | D459-E461 PolarHBondContact O-N 3.39Å; E461-S463 VanDerWaalsContact C-N 3.27Å; E461-S463 PolarHBondContact O-N 3.3Å |
| 462 | G | 62.7 | Low | 80.8 | Confident | 83 Ų | 83 | 67.8 Ų | 67.8 | 86% | 0.856 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 9.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | P460 | P460-G462 PolarHBondContact O-N 3.26Š|
| 463 | S | 72.7 | Confident | 80.9 | Confident | 62 Ų | 62 | 67.7 Ų | 67.7 | 43% | 0.434 | 38% | 0.382 | S | S | . | . | trans | -103.7 | 136.6 | 178.4 | 57.9 | 0 | 0 | 0 | 0 | 112.4 | E461 H465 | E461-S463 VanDerWaalsContact C-N 3.27Å; E461-S463 PolarHBondContact O-N 3.3Å; S463-H465 PolarHBondContact O-N 2.95Å | ||
| 464 | N | 82.2 | Confident | 81 | Confident | 88 Ų | 88 | 67.9 Ų | 67.9 | 47% | 0.471 | 38% | 0.383 | S | S | . | . | trans | -60.8 | 128.7 | 171.3 | -75.8 | -17.5 | 0 | 0 | 0 | 109.4 | S470 G472 N482 | N464-S470 VanDerWaalsContact CB-O 3.32Å; N464-S470 WeakPolarHBondContact CB-O 3.49Å; N464-S470 VanDerWaalsContact CG-O 3.27Å; N464-S470 PolarHBondContact ND2-O 3.24Å; N464-G472 CarbonylContact C-O 3.58Å; N464-G472 WeakPolarHBondContact CA-O 3.32Å; N464-N482 PolarHBondContact OD1-ND2 3.05Å | ||
| 465 | H | 85.1 | Confident | 81.2 | Confident | 55 Ų | 55 | 65.4 Ų | 65.4 | 26% | 0.255 | 38% | 0.375 | S | S | . | . | trans | -106.9 | 142 | -175.9 | -164.4 | -86.8 | 0 | 0 | 0 | 111.6 | S463 H467 C468 S470 G472 I474 | S463-H465 PolarHBondContact O-N 2.95Å; H465-H467 WeakPolarHBondContact ND1-CB 3.45Å; H465-H467 PolarHBondContact ND1-N 3.4Å; H465-H467 PolarHBondContact O-N 3.36Å; H465-C468 CarbonylContact O-C 3.44Å; H465-C468 WeakPolarHBondContact O-CA 3.37Å; H465-C468 PolarHBondContact O-N 2.93Å; H465-S470 WeakPolarHBondContact O-CA 2.99Å; H465-S470 PolarHBondContact O-N 2.02Å; H465-G472 PolarHBondContact N-O 2.82Å; H465-I474 HydrophobicContact CB-CD1 3.87Å; H465-I474 HydrophobicContact CB-CG1 3.88Å; H465-I474 VanDerWaalsContact CE1-CD1 3.45Å; H465-I474 WeakPolarHBondContact CE1-CD1 3.04Å; H465-I474 WeakPolarHBondContact ND1-CD1 3.2Å | ||
| 466 | I | 86.7 | Confident | 81.3 | Confident | 142 Ų | 142 | 65 Ų | 65 | 73% | 0.728 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -59.7 | -34.5 | -178.4 | -166 | 163.9 | 0 | 0 | 0 | 112.9 | C468 N469 | I466-C468 PolarHBondContact O-N 3.05Å; I466-N469 PolarHBondContact O-N 3.08Å; I466-N469 VanDerWaalsContact O-N 3.09Å |
| 467 | H | 85.4 | Confident | 81.5 | Confident | 27 Ų | 27 | 58 Ų | 58 | 13% | 0.125 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -59.4 | -30.5 | 173.4 | -176.6 | -91.8 | 0 | 0 | 0 | 113 | N50 H465 N469 I474 F489 | N50-H467 PolarHBondContact N-NE2 3.1Å; N50-H467 PolarHBondContact OD1-CD2 2.79Å; N50-H467 PolarHBondContact OD1-NE2 2.73Å; H465-H467 WeakPolarHBondContact ND1-CB 3.45Å; H465-H467 PolarHBondContact ND1-N 3.4Å; H465-H467 PolarHBondContact O-N 3.36Å; H467-N469 VanDerWaalsContact C-N 3.3Å; H467-I474 HydrophobicContact CB-CD1 4.26Å; H467-F489 AromaticContact CE1-CD1 3.8Å; H467-F489 AromaticContact CE1-CE1 3.58Å; H467-F489 AromaticContact NE2-CE1 3.77Å |
| 468 | C | 86.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -100.6 | 34.8 | 177.6 | -53.1 | 0 | 0 | 0 | 0 | 110.9 | H465 I466 S470 T471 G472 C479 F489 | H465-C468 CarbonylContact O-C 3.44Å; H465-C468 WeakPolarHBondContact O-CA 3.37Å; H465-C468 PolarHBondContact O-N 2.93Å; I466-C468 PolarHBondContact O-N 3.05Å; C468-S470 PolarHBondContact O-N 3.01Å; C468-T471 PolarHBondContact O-N 2.72Å; C468-T471 PolarHBondContact O-OG1 3.45Å; C468-G472 PolarHBondContact O-N 2.91Å; C468-C479 WeakPolarHBondContact CA-SG 3.26Å; C468-C479 HydrophobicContact CB-CB 3.75Å; C468-C479 WeakPolarHBondContact CB-SG 3.35Å; C468-C479 WeakPolarHBondContact SG-CA 3.43Å; C468-C479 WeakPolarHBondContact SG-CB 3.41Å; C468-C479 CovalentContact SG-SG 2.04Å; C468-C479 PolarHBondContact SG-SG 3.13Å; C468-F489 CarbonylContact C-O 3.6Å; C468-F489 VanDerWaalsContact C-O 3.22Å |
| 469 | N | 84.9 | Confident | 82.2 | Confident | 93 Ų | 93 | 53.1 Ų | 53.1 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 24.4 | -179.3 | -160.2 | 37.9 | 0 | 0 | 0 | 114.7 | I466 H467 T471 F489 | I466-N469 PolarHBondContact O-N 3.08Å; I466-N469 VanDerWaalsContact O-N 3.09Å; H467-N469 VanDerWaalsContact C-N 3.3Å; N469-T471 PolarHBondContact O-N 2.87Å; N469-T471 VanDerWaalsContact O-N 3.11Å; N469-F489 WeakPolarHBondContact CB-O 2.98Å |
| 470 | S | 85.8 | Confident | 82.7 | Confident | 64 Ų | 64 | 57.5 Ų | 57.5 | 45% | 0.448 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 17.7 | -172.9 | -47.3 | 0 | 0 | 0 | 0 | 114.6 | N464 H465 C468 | N464-S470 VanDerWaalsContact CB-O 3.32Å; N464-S470 WeakPolarHBondContact CB-O 3.49Å; N464-S470 VanDerWaalsContact CG-O 3.27Å; N464-S470 PolarHBondContact ND2-O 3.24Å; H465-S470 WeakPolarHBondContact O-CA 2.99Å; H465-S470 PolarHBondContact O-N 2.02Å; C468-S470 PolarHBondContact O-N 3.01Å |
| 471 | T | 86.4 | Confident | 83.5 | Confident | 26 Ų | 26 | 55.6 Ų | 55.6 | 16% | 0.16 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -120.5 | 16.4 | 180 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | C468 N469 N482 F485 C490 | C468-T471 PolarHBondContact O-N 2.72Å; C468-T471 PolarHBondContact O-OG1 3.45Å; N469-T471 PolarHBondContact O-N 2.87Å; N469-T471 VanDerWaalsContact O-N 3.11Å; T471-N482 VanDerWaalsContact O-CB 3.24Å; T471-N482 WeakPolarHBondContact O-CB 3.17Å; T471-N482 VanDerWaalsContact O-CG 3.28Å; T471-N482 PolarHBondContact O-N 3.11Å; T471-N482 PolarHBondContact O-ND2 2.73Å; T471-F485 HydrophobicContact CG2-CD1 4.06Å; T471-F485 HydrophobicContact CG2-CD2 4.49Å; T471-F485 HydrophobicContact CG2-CE1 3.7Å; T471-F485 HydrophobicContact CG2-CE2 4.17Å; T471-F485 HydrophobicContact CG2-CG 4.44Å; T471-F485 HydrophobicContact CG2-CZ 3.76Å; T471-C490 WeakPolarHBondContact OG1-CB 3.44Å; T471-C490 PolarHBondContact OG1-O 2.87Å |
| 472 | G | 86.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 168.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N464 H465 C468 K480 | N464-G472 CarbonylContact C-O 3.58Å; N464-G472 WeakPolarHBondContact CA-O 3.32Å; H465-G472 PolarHBondContact N-O 2.82Å; C468-G472 PolarHBondContact O-N 2.91Å; G472-K480 CarbonylContact C-O 3.59Å; G472-K480 VanDerWaalsContact CA-O 3.27Å; G472-K480 WeakPolarHBondContact CA-O 3.04Å |
| 473 | S | 88.8 | Confident | 85.3 | Confident | 23 Ų | 23 | 54.7 Ų | 54.7 | 16% | 0.161 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 163 | 176.4 | 63.9 | 0 | 0 | 0 | 0 | 111.5 | K480 | S473-K480 PolarHBondContact N-O 2.92Å; S473-K480 PolarHBondContact O-N 3.39Å |
| 474 | I | 87.7 | Confident | 85.4 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 8% | 0.077 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 140.3 | 171.7 | -70.4 | 172.7 | 0 | 0 | 0 | 109.9 | L49 H465 H467 I478 | L49-I474 HydrophobicContact CD1-CD1 3.91Å; L49-I474 HydrophobicContact CD2-CD1 3.71Å; L49-I474 HydrophobicContact CD2-CG2 4.44Å; L49-I474 HydrophobicContact CG-CD1 4.48Å; H465-I474 HydrophobicContact CB-CD1 3.87Å; H465-I474 HydrophobicContact CB-CG1 3.88Å; H465-I474 VanDerWaalsContact CE1-CD1 3.45Å; H465-I474 WeakPolarHBondContact CE1-CD1 3.04Å; H465-I474 WeakPolarHBondContact ND1-CD1 3.2Å; H467-I474 HydrophobicContact CB-CD1 4.26Å; I474-I478 WeakPolarHBondContact CA-O 3.33Å |
| 475 | T | 87.7 | Confident | 85.2 | Confident | 56 Ų | 56 | 51.5 Ų | 51.5 | 34% | 0.344 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 114.3 | 167 | -54.8 | 0 | 0 | 0 | 0 | 108.2 | D459 G477 I478 | D459-T475 VanDerWaalsContact OD2-CA 3.31Å; D459-T475 WeakPolarHBondContact OD2-CA 3.2Å; T475-G477 PolarHBondContact O-N 3.35Å; T475-G477 VanDerWaalsContact O-N 3.15Å; T475-I478 PolarHBondContact N-O 3.49Å; T475-I478 WeakPolarHBondContact O-CG1 3.25Å; T475-I478 PolarHBondContact O-N 3.06Å |
| 476 | C | 87.4 | Confident | 84.7 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 9% | 0.088 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 38.1 | 179.7 | -53.8 | 0 | 0 | 0 | 0 | 114.1 | C33 W45 C457 D459 | C33-C476 HydrophobicContact CB-CB 3.87Å; W45-C476 PolarHBondContact NE1-O 3.07Å; C457-C476 HydrophobicContact CB-CB 3.87Å; C457-C476 WeakPolarHBondContact CB-SG 3.44Å; C457-C476 VanDerWaalsContact SG-CA 3.58Å; C457-C476 WeakPolarHBondContact SG-CB 3.25Å; C457-C476 CovalentContact SG-SG 2.01Å; C457-C476 PolarHBondContact SG-SG 2.97Å; D459-C476 VanDerWaalsContact CG-N 3.28Å; D459-C476 PolarHBondContact OD1-N 3.32Å; D459-C476 VanDerWaalsContact OD1-N 3.1Å; D459-C476 PolarHBondContact OD2-N 2.79Å |
| 477 | G | 86.6 | Confident | 84 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85 | -1.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | K47 R61 T475 | K47-G477 WeakPolarHBondContact O-CA 3.3Å; R61-G477 VanDerWaalsContact CZ-O 3.3Å; R61-G477 PolarHBondContact NH2-O 3.18Å; R61-G477 VanDerWaalsContact NH2-O 3.15Å; T475-G477 PolarHBondContact O-N 3.35Å; T475-G477 VanDerWaalsContact O-N 3.15Å |
| 478 | I | 87.4 | Confident | 83.6 | Confident | 28 Ų | 28 | 45.4 Ų | 45.4 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 160.8 | 172.2 | 60.5 | 165.2 | 0 | 0 | 0 | 111.3 | T31 W45 E58 I474 T475 | T31-I478 WeakPolarHBondContact O-CD1 3.44Å; W45-I478 HydrophobicContact CH2-CG2 4.39Å; W45-I478 HydrophobicContact CZ2-CG2 3.84Å; E58-I478 HydrophobicContact CB-CG2 4.09Å; E58-I478 HydrophobicContact CG-CG2 3.92Å; E58-I478 WeakPolarHBondContact OE2-CG2 3.15Å; I474-I478 WeakPolarHBondContact CA-O 3.33Å; T475-I478 PolarHBondContact N-O 3.49Å; T475-I478 WeakPolarHBondContact O-CG1 3.25Å; T475-I478 PolarHBondContact O-N 3.06Å |
| 479 | C | 85.6 | Confident | 83.4 | Confident | 23 Ų | 23 | 48.3 Ų | 48.3 | 16% | 0.155 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 127.8 | -179.6 | -68.6 | 0 | 0 | 0 | 0 | 112.3 | C468 Q488 | C468-C479 WeakPolarHBondContact CA-SG 3.26Å; C468-C479 HydrophobicContact CB-CB 3.75Å; C468-C479 WeakPolarHBondContact CB-SG 3.35Å; C468-C479 WeakPolarHBondContact SG-CA 3.43Å; C468-C479 WeakPolarHBondContact SG-CB 3.41Å; C468-C479 CovalentContact SG-SG 2.04Å; C468-C479 PolarHBondContact SG-SG 3.13Å; C479-Q488 WeakPolarHBondContact CB-O 3.4Å |
| 480 | K | 87.6 | Confident | 83.3 | Confident | 142 Ų | 142 | 43.9 Ų | 43.9 | 62% | 0.617 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 101.4 | 164.4 | -176.9 | 179.9 | 179.2 | -179.3 | 0 | 108 | G472 S473 | G472-K480 CarbonylContact C-O 3.59Å; G472-K480 VanDerWaalsContact CA-O 3.27Å; G472-K480 WeakPolarHBondContact CA-O 3.04Å; S473-K480 PolarHBondContact N-O 2.92Å; S473-K480 PolarHBondContact O-N 3.39Å |
| 481 | C | 85.1 | Confident | 83.1 | Confident | 36 Ų | 36 | 45.3 Ų | 45.3 | 24% | 0.243 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 145.6 | -176.2 | -55.5 | 0 | 0 | 0 | 0 | 112.5 | F485 C490 | C481-F485 HydrophobicContact CB-CB 4.22Å; C481-F485 WeakPolarHBondContact CB-O 3.04Å; C481-C490 WeakPolarHBondContact CA-SG 3.36Å; C481-C490 HydrophobicContact CB-CB 3.81Å; C481-C490 WeakPolarHBondContact CB-SG 3.49Å; C481-C490 WeakPolarHBondContact SG-CA 3.1Å; C481-C490 WeakPolarHBondContact SG-CB 3.07Å; C481-C490 CovalentContact SG-SG 2.04Å; C481-C490 PolarHBondContact SG-SG 3.41Å |
| 482 | N | 84.8 | Confident | 82.5 | Confident | 63 Ų | 63 | 45 Ų | 45 | 34% | 0.337 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -69.4 | 160.2 | 170.2 | -64.3 | -25.6 | 0 | 0 | 0 | 110.3 | N464 T471 G484 F485 | N464-N482 PolarHBondContact OD1-ND2 3.05Å; T471-N482 VanDerWaalsContact O-CB 3.24Å; T471-N482 WeakPolarHBondContact O-CB 3.17Å; T471-N482 VanDerWaalsContact O-CG 3.28Å; T471-N482 PolarHBondContact O-N 3.11Å; T471-N482 PolarHBondContact O-ND2 2.73Å; N482-G484 PolarHBondContact O-N 3.18Å; N482-F485 PolarHBondContact O-N 2.7Å; N482-F485 VanDerWaalsContact O-N 3.09Å |
| 483 | Q | 79.8 | Confident | 81.9 | Confident | 190 Ų | 190 | 48.6 Ų | 48.6 | 89% | 0.888 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 128.2 | 179.2 | -168.9 | 176.1 | 2 | 0 | 0 | 111.3 | ||
| 484 | G | 74.7 | Confident | 80.8 | Confident | 24 Ų | 24 | 48.4 Ų | 48.4 | 25% | 0.247 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 7.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | N482 V494 | N482-G484 PolarHBondContact O-N 3.18Å; G484-V494 WeakPolarHBondContact O-CB 2.94Å; G484-V494 WeakPolarHBondContact O-CG2 3.08Å; G484-V494 PolarHBondContact O-N 3.17Å |
| 485 | F | 79.4 | Confident | 79.8 | Confident | 60 Ų | 60 | 50.9 Ų | 50.9 | 26% | 0.263 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 138.4 | 173.5 | -66.3 | -91.1 | 0 | 0 | 0 | 111.8 | T471 C481 N482 C490 C492 A493 | T471-F485 HydrophobicContact CG2-CD1 4.06Å; T471-F485 HydrophobicContact CG2-CD2 4.49Å; T471-F485 HydrophobicContact CG2-CE1 3.7Å; T471-F485 HydrophobicContact CG2-CE2 4.17Å; T471-F485 HydrophobicContact CG2-CG 4.44Å; T471-F485 HydrophobicContact CG2-CZ 3.76Å; C481-F485 HydrophobicContact CB-CB 4.22Å; C481-F485 WeakPolarHBondContact CB-O 3.04Å; N482-F485 PolarHBondContact O-N 2.7Å; N482-F485 VanDerWaalsContact O-N 3.09Å; F485-C490 HydrophobicContact CB-CB 4.3Å; F485-C492 VanDerWaalsContact CA-O 3.29Å; F485-C492 WeakPolarHBondContact CA-O 3.26Å; F485-A493 HydrophobicContact CD1-CB 4.24Å; F485-A493 HydrophobicContact CE1-CB 3.83Å |
| 486 | V | 74 | Confident | 78.1 | Confident | 16 Ų | 16 | 55.7 Ų | 55.7 | 10% | 0.097 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 168.1 | 178.9 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | C492 V494 E499 | V486-C492 HydrophobicContact CG2-CB 3.89Å; V486-C492 PolarHBondContact N-O 3.37Å; V486-C492 WeakPolarHBondContact O-CB 3.26Å; V486-C492 PolarHBondContact O-N 2.02Å; V486-C492 VanDerWaalsContact O-N 3.16Å; V486-V494 HydrophobicContact CB-CG2 4.46Å; V486-V494 HydrophobicContact CG1-CG2 3.93Å; V486-V494 HydrophobicContact CG2-CG2 3.9Å; V486-E499 HydrophobicContact CG1-CG 3.31Å |
| 487 | G | 72.3 | Confident | 76.6 | Confident | 26 Ų | 26 | 61.7 Ų | 61.7 | 27% | 0.268 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 105.5 | 161.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F489 C490 | G487-F489 PolarHBondContact O-N 2.74Å; G487-F489 VanDerWaalsContact O-N 3.1Å; G487-C490 PolarHBondContact O-N 3.05Å; G487-C490 VanDerWaalsContact O-N 3.08Å |
| 488 | Q | 76.1 | Confident | 75.5 | Confident | 53 Ų | 53 | 67 Ų | 67 | 25% | 0.248 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -33.9 | -178.7 | -172.3 | 177.2 | 11.2 | 0 | 0 | 113.4 | T52 E56 E58 C479 | T52-Q488 PolarHBondContact OG1-NE2 2.74Å; E56-Q488 PolarHBondContact O-NE2 3.42Å; E58-Q488 HydrophobicContact CG-CG 4.37Å; E58-Q488 VanDerWaalsContact OE1-CD 3.32Å; E58-Q488 WeakPolarHBondContact OE1-CG 3.45Å; E58-Q488 PolarHBondContact OE1-NE2 2.84Å; C479-Q488 WeakPolarHBondContact CB-O 3.4Å |
| 489 | F | 82.6 | Confident | 74.1 | Confident | 61 Ų | 61 | 68.4 Ų | 68.4 | 27% | 0.268 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 18 | -179.3 | -55.9 | -77.9 | 0 | 0 | 0 | 113.2 | H467 C468 N469 G487 N491 | H467-F489 AromaticContact CE1-CD1 3.8Å; H467-F489 AromaticContact CE1-CE1 3.58Å; H467-F489 AromaticContact NE2-CE1 3.77Å; C468-F489 CarbonylContact C-O 3.6Å; C468-F489 VanDerWaalsContact C-O 3.22Å; N469-F489 WeakPolarHBondContact CB-O 2.98Å; G487-F489 PolarHBondContact O-N 2.74Å; G487-F489 VanDerWaalsContact O-N 3.1Å; F489-N491 PolarHBondContact O-N 2.85Å |
| 490 | C | 82.9 | Confident | 73 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 41% | 0.405 | C | S | . | . | S | Bend | trans | 56.1 | 31 | -178.2 | -46.2 | 0 | 0 | 0 | 0 | 114.3 | T471 C481 F485 G487 C492 | T471-C490 WeakPolarHBondContact OG1-CB 3.44Å; T471-C490 PolarHBondContact OG1-O 2.87Å; C481-C490 WeakPolarHBondContact CA-SG 3.36Å; C481-C490 HydrophobicContact CB-CB 3.81Å; C481-C490 WeakPolarHBondContact CB-SG 3.49Å; C481-C490 WeakPolarHBondContact SG-CA 3.1Å; C481-C490 WeakPolarHBondContact SG-CB 3.07Å; C481-C490 CovalentContact SG-SG 2.04Å; C481-C490 PolarHBondContact SG-SG 3.41Å; F485-C490 HydrophobicContact CB-CB 4.3Å; G487-C490 PolarHBondContact O-N 3.05Å; G487-C490 VanDerWaalsContact O-N 3.08Å; C490-C492 VanDerWaalsContact C-N 3.33Å; C490-C492 PolarHBondContact O-N 2.88Å |
| 491 | N | 81.4 | Confident | 72 | Confident | 94 Ų | 94 | 66.2 Ų | 66.2 | 50% | 0.503 | 39% | 0.39 | S | S | . | . | trans | -81.2 | -9.7 | -174.2 | 63.2 | -48.2 | 0 | 0 | 0 | 113.8 | F489 | F489-N491 PolarHBondContact O-N 2.85Š| ||
| 492 | C | 74.2 | Confident | 71 | Confident | 21 Ų | 21 | 66.4 Ų | 66.4 | 14% | 0.142 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 115.5 | -176.4 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | F485 V486 C490 C522 | F485-C492 VanDerWaalsContact CA-O 3.29Å; F485-C492 WeakPolarHBondContact CA-O 3.26Å; V486-C492 HydrophobicContact CG2-CB 3.89Å; V486-C492 PolarHBondContact N-O 3.37Å; V486-C492 WeakPolarHBondContact O-CB 3.26Å; V486-C492 PolarHBondContact O-N 2.02Å; V486-C492 VanDerWaalsContact O-N 3.16Å; C490-C492 VanDerWaalsContact C-N 3.33Å; C490-C492 PolarHBondContact O-N 2.88Å; C492-C522 VanDerWaalsContact SG-SG 3.6Å |
| 493 | A | 73.4 | Confident | 70.2 | Confident | 75 Ų | 75 | 67.2 Ų | 67.2 | 62% | 0.62 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 121.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | F485 G495 | F485-A493 HydrophobicContact CD1-CB 4.24Å; F485-A493 HydrophobicContact CE1-CB 3.83Å; A493-G495 PolarHBondContact O-N 2.75Å |
| 494 | V | 65.4 | Low | 69.8 | Low | 19 Ų | 19 | 60.6 Ų | 60.6 | 12% | 0.115 | 37% | 0.365 | C | S | . | . | trans | -81.6 | 100.4 | 174.9 | -167.1 | 0 | 0 | 0 | 0 | 106.1 | G484 V486 K497 E499 L502 | G484-V494 WeakPolarHBondContact O-CB 2.94Å; G484-V494 WeakPolarHBondContact O-CG2 3.08Å; G484-V494 PolarHBondContact O-N 3.17Å; V486-V494 HydrophobicContact CB-CG2 4.46Å; V486-V494 HydrophobicContact CG1-CG2 3.93Å; V486-V494 HydrophobicContact CG2-CG2 3.9Å; V494-K497 WeakPolarHBondContact CG1-O 3.36Å; V494-E499 HydrophobicContact CG1-CB 4.44Å; V494-E499 HydrophobicContact CG2-CB 4.5Å; V494-E499 HydrophobicContact CG2-CG 4.38Å; V494-L502 HydrophobicContact CB-CD1 4.34Å; V494-L502 HydrophobicContact CG1-CD1 3.48Å; V494-L502 VanDerWaalsContact CG1-CD1 3.48Å | ||
| 495 | G | 66.7 | Low | 69.8 | Low | 66 Ų | 66 | 62.9 Ų | 62.9 | 68% | 0.68 | 37% | 0.374 | S | S | * | . | trans | -67.9 | -120.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A493 K497 | A493-G495 PolarHBondContact O-N 2.75Å; G495-K497 PolarHBondContact O-N 2.94Å | ||
| 496 | T | 53.7 | Low | 69.7 | Low | 157 Ų | 157 | 60 Ų | 60 | 96% | 0.963 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -79.9 | -1.7 | 176.2 | 53.5 | 0 | 0 | 0 | 0 | 114.2 | ||
| 497 | K | 55.7 | Low | 70.1 | Confident | 140 Ų | 140 | 63.9 Ų | 63.9 | 61% | 0.609 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -92.2 | 144.2 | 173.6 | -71.3 | -174.7 | 179.6 | -178.6 | 0 | 107.7 | V494 G495 L502 | V494-K497 WeakPolarHBondContact CG1-O 3.36Å; G495-K497 PolarHBondContact O-N 2.94Å; K497-L502 HydrophobicContact CB-CD1 3.95Å |
| 498 | D | 61.8 | Low | 70.5 | Confident | 112 Ų | 112 | 68.6 Ų | 68.6 | 60% | 0.599 | 38% | 0.384 | S | S | * | . | trans | -75.2 | 151.8 | 178.5 | -161.7 | 9.2 | 0 | 0 | 0 | 110.7 | S500 S501 | D498-S500 PolarHBondContact O-N 2.8Å; D498-S500 PolarHBondContact OD2-OG 2.85Å; D498-S501 PolarHBondContact N-OG 2.88Å; D498-S501 WeakPolarHBondContact O-CB 3.34Å; D498-S501 PolarHBondContact O-N 3.02Å; D498-S501 PolarHBondContact O-OG 2.85Å | ||
| 499 | E | 59.9 | Low | 70.5 | Confident | 59 Ų | 59 | 74.5 Ų | 74.5 | 28% | 0.276 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -54.6 | -40 | -177.7 | -171.1 | -178.6 | 149.4 | 0 | 0 | 111.5 | V486 V494 S501 R503 | V486-E499 HydrophobicContact CG1-CG 3.31Å; V494-E499 HydrophobicContact CG1-CB 4.44Å; V494-E499 HydrophobicContact CG2-CB 4.5Å; V494-E499 HydrophobicContact CG2-CG 4.38Å; E499-S501 VanDerWaalsContact C-N 3.29Å; E499-S501 PolarHBondContact O-N 2.78Å; E499-R503 PolarHBondContact O-N 2.9Å; E499-R503 IonicContact OE1-CZ 3.91Å; E499-R503 IonicContact OE1-NH1 2.73Å; E499-R503 PolarHBondContact OE1-NH1 2.83Å; E499-R503 VanDerWaalsContact OE1-NH1 3.12Å |
| 500 | S | 62.6 | Low | 70 | Confident | 74 Ų | 74 | 79.7 Ų | 79.7 | 52% | 0.517 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -57.2 | -37.7 | 175 | 60.9 | 0 | 0 | 0 | 0 | 113 | D498 A504 | D498-S500 PolarHBondContact O-N 2.8Å; D498-S500 PolarHBondContact OD2-OG 2.85Å; S500-A504 WeakPolarHBondContact O-CB 3.14Å; S500-A504 PolarHBondContact O-N 3Å |
| 501 | S | 65.8 | Low | 69.3 | Low | 44 Ų | 44 | 81 Ų | 81 | 31% | 0.308 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -77.5 | -34.7 | -172.5 | 70.9 | 0 | 0 | 0 | 0 | 113.6 | D498 E499 T505 | D498-S501 PolarHBondContact N-OG 2.88Å; D498-S501 WeakPolarHBondContact O-CB 3.34Å; D498-S501 PolarHBondContact O-N 3.02Å; D498-S501 PolarHBondContact O-OG 2.85Å; E499-S501 VanDerWaalsContact C-N 3.29Å; E499-S501 PolarHBondContact O-N 2.78Å; S501-T505 PolarHBondContact O-N 2.85Å; S501-T505 PolarHBondContact O-OG1 2.03Å |
| 502 | L | 64.9 | Low | 68.9 | Low | 41 Ų | 41 | 81.1 Ų | 81.1 | 22% | 0.215 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -72.1 | -43.9 | 175.6 | -89.9 | 137.1 | 0 | 0 | 0 | 111.3 | V494 K497 T505 | V494-L502 HydrophobicContact CB-CD1 4.34Å; V494-L502 HydrophobicContact CG1-CD1 3.48Å; V494-L502 VanDerWaalsContact CG1-CD1 3.48Å; K497-L502 HydrophobicContact CB-CD1 3.95Å; L502-T505 WeakPolarHBondContact O-CB 3.24Å; L502-T505 PolarHBondContact O-N 2.8Å |
| 503 | R | 66.4 | Low | 69.1 | Low | 79 Ų | 79 | 82.4 Ų | 82.4 | 30% | 0.298 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 173.7 | -79.8 | -179.9 | 168.3 | 173 | 2.8 | 112.7 | E499 T505 C506 E513 | E499-R503 PolarHBondContact O-N 2.9Å; E499-R503 IonicContact OE1-CZ 3.91Å; E499-R503 IonicContact OE1-NH1 2.73Å; E499-R503 PolarHBondContact OE1-NH1 2.83Å; E499-R503 VanDerWaalsContact OE1-NH1 3.12Å; R503-T505 PolarHBondContact O-N 2.8Å; R503-C506 PolarHBondContact O-N 2.87Å; R503-C506 VanDerWaalsContact O-N 3.1Å; R503-E513 VanDerWaalsContact CB-OE1 3.3Å; R503-E513 WeakPolarHBondContact CB-OE1 3.42Å; R503-E513 WeakPolarHBondContact CD-OE1 3.31Å; R503-E513 VanDerWaalsContact CG-OE1 3.3Å; R503-E513 WeakPolarHBondContact CG-OE1 3.1Å; R503-E513 IonicContact NE-OE1 3.35Å |
| 504 | A | 71.9 | Confident | 69.4 | Low | 51 Ų | 51 | 78.8 Ų | 78.8 | 42% | 0.421 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61 | -27.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | S500 C506 R507 | S500-A504 WeakPolarHBondContact O-CB 3.14Å; S500-A504 PolarHBondContact O-N 3Å; A504-C506 PolarHBondContact O-N 3.36Å; A504-R507 PolarHBondContact O-N 3.44Å; A504-R507 VanDerWaalsContact O-N 3.1Å |
| 505 | T | 75 | Confident | 70.2 | Confident | 73 Ų | 73 | 81.1 Ų | 81.1 | 45% | 0.448 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -19.1 | 178.9 | -46.9 | 0 | 0 | 0 | 0 | 112.4 | S501 L502 R503 G523 Y540 | S501-T505 PolarHBondContact O-N 2.85Å; S501-T505 PolarHBondContact O-OG1 2.03Å; L502-T505 WeakPolarHBondContact O-CB 3.24Å; L502-T505 PolarHBondContact O-N 2.8Å; R503-T505 PolarHBondContact O-N 2.8Å; T505-G523 WeakPolarHBondContact CG2-O 3.25Å; T505-Y540 WeakPolarHBondContact O-CE1 3.25Å |
| 506 | C | 77.2 | Confident | 70.6 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 2 | 174.2 | -64.6 | 0 | 0 | 0 | 0 | 113.3 | R503 A504 C514 C520 G523 | R503-C506 PolarHBondContact O-N 2.87Å; R503-C506 VanDerWaalsContact O-N 3.1Å; A504-C506 PolarHBondContact O-N 3.36Å; C506-C514 PolarHBondContact O-N 2.76Å; C506-C520 HydrophobicContact CB-CB 3.42Å; C506-C520 VanDerWaalsContact CB-CB 3.42Å; C506-C520 WeakPolarHBondContact CB-SG 3.39Å; C506-C520 VanDerWaalsContact SG-CA 3.54Å; C506-C520 WeakPolarHBondContact SG-CB 3.47Å; C506-C520 CovalentContact SG-SG 2.02Å; C506-C520 PolarHBondContact SG-SG 3.42Å; C506-G523 VanDerWaalsContact SG-CA 3.6Å |
| 507 | R | 82.7 | Confident | 71.9 | Confident | 96 Ų | 96 | 75.9 Ų | 75.9 | 36% | 0.362 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -103.1 | 132.4 | 178.2 | -65.6 | 175.5 | -171.5 | -162.3 | -0.4 | 109.1 | A504 Q509 G511 E513 | A504-R507 PolarHBondContact O-N 3.44Å; A504-R507 VanDerWaalsContact O-N 3.1Å; R507-Q509 PolarHBondContact O-N 3.41Å; R507-G511 VanDerWaalsContact CD-O 3.26Å; R507-G511 WeakPolarHBondContact CD-O 3.33Å; R507-G511 VanDerWaalsContact CG-O 3.26Å; R507-G511 WeakPolarHBondContact CG-O 3.4Å; R507-E513 HydrophobicContact CG-CB 4.49Å; R507-E513 HydrophobicContact CG-CG 3.71Å; R507-E513 IonicContact CZ-OE1 2.7Å; R507-E513 IonicContact NE-OE1 3.8Å; R507-E513 PolarHBondContact NE-OE1 2.74Å; R507-E513 IonicContact NH2-OE1 2.64Å; R507-E513 PolarHBondContact NH2-OE1 2.72Å |
| 508 | R | 79.6 | Confident | 72.8 | Confident | 125 Ų | 125 | 69.4 Ų | 69.4 | 47% | 0.472 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -78.3 | 110.5 | 165.5 | -167.1 | 176.5 | 173.4 | 130.5 | -6.3 | 107.2 | N510 G511 E515 Y540 E542 | R508-N510 PolarHBondContact O-N 2.68Å; R508-G511 PolarHBondContact O-N 2.75Å; R508-E515 VanDerWaalsContact CB-OE1 3.23Å; R508-E515 WeakPolarHBondContact CB-OE1 3.27Å; R508-Y540 HydrophobicContact CB-CD2 4Å; R508-Y540 HydrophobicContact CB-CE2 4.37Å; R508-Y540 HydrophobicContact CB-CG 4.16Å; R508-Y540 HydrophobicContact CG-CD2 4.18Å; R508-Y540 HydrophobicContact CG-CE2 4.36Å; R508-E542 IonicContact NH1-OE1 3.87Å; R508-E542 PolarHBondContact NH1-OE1 2.97Å |
| 509 | Q | 77.4 | Confident | 73.3 | Confident | 178 Ų | 178 | 65.7 Ų | 65.7 | 83% | 0.832 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | -129.5 | -173.8 | -53.5 | 177.8 | -6.1 | 0 | 0 | 111.3 | R507 G511 | R507-Q509 PolarHBondContact O-N 3.41Å; Q509-G511 VanDerWaalsContact C-N 3.31Å |
| 510 | N | 71.3 | Confident | 73.9 | Confident | 170 Ų | 170 | 64.3 Ų | 64.3 | 91% | 0.909 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 20.4 | 174 | -73.4 | -13.3 | 0 | 0 | 0 | 113 | R508 | R508-N510 PolarHBondContact O-N 2.68Š|
| 511 | G | 67.9 | Low | 74.2 | Confident | 27 Ų | 27 | 63.9 Ų | 63.9 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -75 | -177.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R507 R508 Q509 | R507-G511 VanDerWaalsContact CD-O 3.26Å; R507-G511 WeakPolarHBondContact CD-O 3.33Å; R507-G511 VanDerWaalsContact CG-O 3.26Å; R507-G511 WeakPolarHBondContact CG-O 3.4Å; R508-G511 PolarHBondContact O-N 2.75Å; Q509-G511 VanDerWaalsContact C-N 3.31Å |
| 512 | T | 74.4 | Confident | 74.4 | Confident | 96 Ų | 96 | 66.1 Ų | 66.1 | 59% | 0.589 | 36% | 0.355 | S | S | * | . | trans | -71.1 | 148.8 | 176.2 | -50.2 | 0 | 0 | 0 | 0 | 110.7 | C514 E515 | T512-C514 PolarHBondContact O-N 2.82Å; T512-E515 PolarHBondContact O-N 3.08Å | ||
| 513 | E | 78.3 | Confident | 74.7 | Confident | 48 Ų | 48 | 65 Ų | 65 | 22% | 0.224 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -58.9 | 126.1 | 177 | -71.8 | 170.6 | -152.7 | 0 | 0 | 110.7 | R503 R507 E515 G516 C520 | R503-E513 VanDerWaalsContact CB-OE1 3.3Å; R503-E513 WeakPolarHBondContact CB-OE1 3.42Å; R503-E513 WeakPolarHBondContact CD-OE1 3.31Å; R503-E513 VanDerWaalsContact CG-OE1 3.3Å; R503-E513 WeakPolarHBondContact CG-OE1 3.1Å; R503-E513 IonicContact NE-OE1 3.35Å; R507-E513 HydrophobicContact CG-CB 4.49Å; R507-E513 HydrophobicContact CG-CG 3.71Å; R507-E513 IonicContact CZ-OE1 2.7Å; R507-E513 IonicContact NE-OE1 3.8Å; R507-E513 PolarHBondContact NE-OE1 2.74Å; R507-E513 IonicContact NH2-OE1 2.64Å; R507-E513 PolarHBondContact NH2-OE1 2.72Å; E513-E515 PolarHBondContact O-N 2.91Å; E513-G516 PolarHBondContact O-N 3.15Å; E513-C520 HydrophobicContact CB-CB 4.35Å |
| 514 | C | 79.8 | Confident | 75.2 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | 49.8 | 33.3 | -178 | -52 | 0 | 0 | 0 | 0 | 113.4 | C506 T512 G516 R517 G518 C525 Y540 | C506-C514 PolarHBondContact O-N 2.76Å; T512-C514 PolarHBondContact O-N 2.82Å; C514-G516 PolarHBondContact O-N 2.88Å; C514-R517 PolarHBondContact O-N 2.98Å; C514-G518 WeakPolarHBondContact CB-O 3.49Å; C514-C525 WeakPolarHBondContact CA-SG 3.24Å; C514-C525 HydrophobicContact CB-CB 3.7Å; C514-C525 WeakPolarHBondContact CB-SG 3.17Å; C514-C525 WeakPolarHBondContact SG-CA 3.05Å; C514-C525 WeakPolarHBondContact SG-CB 3.46Å; C514-C525 CovalentContact SG-SG 2.03Å; C514-C525 PolarHBondContact SG-SG 3.4Å; C514-Y540 CarbonylContact C-O 3.56Å; C514-Y540 WeakPolarHBondContact CA-O 3.45Å; C514-Y540 VanDerWaalsContact O-O 3.08Å |
| 515 | E | 82 | Confident | 75.5 | Confident | 68 Ų | 68 | 63 Ų | 63 | 32% | 0.318 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | 52.8 | 21.3 | -176.1 | -61 | -62.6 | 149.9 | 0 | 0 | 113.6 | R508 T512 E513 R517 Y540 E542 | R508-E515 VanDerWaalsContact CB-OE1 3.23Å; R508-E515 WeakPolarHBondContact CB-OE1 3.27Å; T512-E515 PolarHBondContact O-N 3.08Å; E513-E515 PolarHBondContact O-N 2.91Å; E515-R517 PolarHBondContact O-N 2.81Å; E515-Y540 PolarHBondContact N-O 3.14Å; E515-E542 HydrophobicContact CG-CB 3.89Å |
| 516 | G | 75 | Confident | 75.8 | Confident | 35 Ų | 35 | 65.1 Ų | 65.1 | 36% | 0.361 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | 66.1 | 17.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q57 E513 C514 | Q57-G516 VanDerWaalsContact NE2-C 3.34Å; Q57-G516 PolarHBondContact NE2-O 2.82Å; E513-G516 PolarHBondContact O-N 3.15Å; C514-G516 PolarHBondContact O-N 2.88Å |
| 517 | R | 80.6 | Confident | 75.9 | Confident | 77 Ų | 77 | 66.8 Ų | 66.8 | 29% | 0.291 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -119.9 | 12.6 | -175.4 | -64.5 | 165.9 | -179.1 | -136.5 | -0.9 | 112.9 | C514 E515 H528 Y536 C541 D544 | C514-R517 PolarHBondContact O-N 2.98Å; E515-R517 PolarHBondContact O-N 2.81Å; R517-H528 PolarHBondContact O-N 3.28Å; R517-Y536 HydrophobicContact CB-CD1 4.18Å; R517-Y536 HydrophobicContact CB-CD2 4.07Å; R517-Y536 HydrophobicContact CB-CE2 4.41Å; R517-Y536 HydrophobicContact CB-CG 3.97Å; R517-Y536 HydrophobicContact CG-CD1 4.21Å; R517-Y536 HydrophobicContact CG-CE1 4.14Å; R517-Y536 HydrophobicContact CG-CE2 4.49Å; R517-Y536 HydrophobicContact CG-CG 4.45Å; R517-Y536 VanDerWaalsContact NH1-CE1 3.32Å; R517-C541 HydrophobicContact CB-CB 3.99Å; R517-C541 VanDerWaalsContact CD-O 3.23Å; R517-C541 WeakPolarHBondContact CD-O 3.35Å; R517-D544 IonicContact CZ-OD2 2.69Å; R517-D544 IonicContact NH1-OD2 3.97Å; R517-D544 PolarHBondContact NH1-OD2 3.49Å |
| 518 | G | 75.4 | Confident | 75.6 | Confident | 5 Ų | 5 | 63.7 Ų | 63.7 | 5% | 0.052 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.9 | 172 | 180 | 0 | 0 | 0 | 0 | 0 | 111.2 | C514 Q526 H528 | C514-G518 WeakPolarHBondContact CB-O 3.49Å; G518-Q526 CarbonylContact C-O 3.56Å; G518-Q526 WeakPolarHBondContact CA-O 3.45Å; G518-H528 VanDerWaalsContact CA-CE1 3.48Å; G518-H528 WeakPolarHBondContact CA-CE1 2.96Å |
| 519 | D | 70.4 | Confident | 75.4 | Confident | 34 Ų | 34 | 62.8 Ų | 62.8 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 130.7 | 176.1 | -61.4 | -49.3 | 0 | 0 | 0 | 110.4 | G55 V521 Q526 H528 | G55-D519 WeakPolarHBondContact CA-OD2 3.21Å; D519-V521 HydrophobicContact CB-CG2 3.98Å; D519-V521 PolarHBondContact O-N 2.03Å; D519-V521 VanDerWaalsContact O-N 3.1Å; D519-Q526 PolarHBondContact N-O 3.24Å; D519-Q526 PolarHBondContact O-N 2.03Å; D519-H528 VanDerWaalsContact CG-NE2 3.26Å; D519-H528 IonicContact OD1-CE1 2.7Å; D519-H528 IonicContact OD1-NE2 3.04Å; D519-H528 IonicContact OD2-CD2 2.75Å; D519-H528 IonicContact OD2-CE1 2.88Å; D519-H528 IonicContact OD2-NE2 3.96Å; D519-H528 PolarHBondContact OD2-NE2 2.64Å |
| 520 | C | 73.2 | Confident | 75 | Confident | 29 Ų | 29 | 54.8 Ų | 54.8 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 94.3 | 170.5 | -179 | 0 | 0 | 0 | 0 | 109.4 | C506 E513 | C506-C520 HydrophobicContact CB-CB 3.42Å; C506-C520 VanDerWaalsContact CB-CB 3.42Å; C506-C520 WeakPolarHBondContact CB-SG 3.39Å; C506-C520 VanDerWaalsContact SG-CA 3.54Å; C506-C520 WeakPolarHBondContact SG-CB 3.47Å; C506-C520 CovalentContact SG-SG 2.02Å; C506-C520 PolarHBondContact SG-SG 3.42Å; E513-C520 HydrophobicContact CB-CB 4.35Å |
| 521 | V | 70 | Confident | 74.7 | Confident | 66 Ų | 66 | 56.2 Ų | 56.2 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 111.5 | 178.1 | -174.2 | 0 | 0 | 0 | 0 | 107.9 | D519 G523 A524 | D519-V521 HydrophobicContact CB-CG2 3.98Å; D519-V521 PolarHBondContact O-N 2.03Å; D519-V521 VanDerWaalsContact O-N 3.1Å; V521-G523 VanDerWaalsContact C-N 3.26Å; V521-G523 PolarHBondContact O-N 2.79Å; V521-A524 PolarHBondContact N-O 3.35Å; V521-A524 PolarHBondContact O-N 2.95Å; V521-A524 VanDerWaalsContact O-N 3.12Å |
| 522 | C | 68.9 | Low | 74.3 | Confident | 91 Ų | 91 | 61.7 Ų | 61.7 | 62% | 0.615 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 32.4 | 175.7 | -58.8 | 0 | 0 | 0 | 0 | 115.1 | C492 | C492-C522 VanDerWaalsContact SG-SG 3.6Š|
| 523 | G | 70.5 | Confident | 73.8 | Confident | 17 Ų | 17 | 60.1 Ų | 60.1 | 18% | 0.175 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 10.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T505 C506 V521 | T505-G523 WeakPolarHBondContact CG2-O 3.25Å; C506-G523 VanDerWaalsContact SG-CA 3.6Å; V521-G523 VanDerWaalsContact C-N 3.26Å; V521-G523 PolarHBondContact O-N 2.79Å |
| 524 | A | 77.3 | Confident | 73.5 | Confident | 63 Ų | 63 | 60.8 Ų | 60.8 | 52% | 0.521 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 145.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V521 | V521-A524 PolarHBondContact N-O 3.35Å; V521-A524 PolarHBondContact O-N 2.95Å; V521-A524 VanDerWaalsContact O-N 3.12Å |
| 525 | C | 79.3 | Confident | 73.2 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 16% | 0.162 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 124 | 177.2 | -71.3 | 0 | 0 | 0 | 0 | 111.3 | C514 K539 | C514-C525 WeakPolarHBondContact CA-SG 3.24Å; C514-C525 HydrophobicContact CB-CB 3.7Å; C514-C525 WeakPolarHBondContact CB-SG 3.17Å; C514-C525 WeakPolarHBondContact SG-CA 3.05Å; C514-C525 WeakPolarHBondContact SG-CB 3.46Å; C514-C525 CovalentContact SG-SG 2.03Å; C514-C525 PolarHBondContact SG-SG 3.4Å; C525-K539 WeakPolarHBondContact CB-O 3.33Å |
| 526 | Q | 80.4 | Confident | 73.1 | Confident | 119 Ų | 119 | 62.6 Ų | 62.6 | 56% | 0.556 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 107.2 | 168.7 | -177.3 | 171.3 | 1.3 | 0 | 0 | 108.7 | G518 D519 | G518-Q526 CarbonylContact C-O 3.56Å; G518-Q526 WeakPolarHBondContact CA-O 3.45Å; D519-Q526 PolarHBondContact N-O 3.24Å; D519-Q526 PolarHBondContact O-N 2.03Å |
| 527 | C | 80.6 | Confident | 73.3 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 23% | 0.23 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 140.7 | -172.9 | -53.6 | 0 | 0 | 0 | 0 | 112.8 | Y536 C541 | C527-Y536 WeakPolarHBondContact CB-O 3.41Å; C527-C541 WeakPolarHBondContact CA-SG 3.39Å; C527-C541 HydrophobicContact CB-CB 3.75Å; C527-C541 WeakPolarHBondContact CB-SG 3.38Å; C527-C541 PolarHBondContact N-SG 3.27Å; C527-C541 VanDerWaalsContact N-SG 3.45Å; C527-C541 WeakPolarHBondContact SG-CA 3.43Å; C527-C541 WeakPolarHBondContact SG-CB 3.36Å; C527-C541 CovalentContact SG-SG 2.04Å; C527-C541 PolarHBondContact SG-SG 3.24Å |
| 528 | H | 76.4 | Confident | 73.3 | Confident | 32 Ų | 32 | 62.7 Ų | 62.7 | 15% | 0.148 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 163.1 | 177.7 | -58.9 | 151.1 | 0 | 0 | 0 | 111.1 | G55 Q57 R517 G518 D519 Y536 | G55-H528 PolarHBondContact O-CD2 3.44Å; G55-H528 PolarHBondContact O-NE2 3.24Å; Q57-H528 WeakPolarHBondContact CG-CE1 3.17Å; R517-H528 PolarHBondContact O-N 3.28Å; G518-H528 VanDerWaalsContact CA-CE1 3.48Å; G518-H528 WeakPolarHBondContact CA-CE1 2.96Å; D519-H528 VanDerWaalsContact CG-NE2 3.26Å; D519-H528 IonicContact OD1-CE1 2.7Å; D519-H528 IonicContact OD1-NE2 3.04Å; D519-H528 IonicContact OD2-CD2 2.75Å; D519-H528 IonicContact OD2-CE1 2.88Å; D519-H528 IonicContact OD2-NE2 3.96Å; D519-H528 PolarHBondContact OD2-NE2 2.64Å; H528-Y536 HydrophobicContact CB-CD2 4.44Å; H528-Y536 VanDerWaalsContact O-CD2 3.29Å; H528-Y536 WeakPolarHBondContact O-CD2 3.48Å; H528-Y536 PolarHBondContact O-N 3.28Å; H528-Y536 VanDerWaalsContact O-N 3.09Å |
| 529 | T | 75 | Confident | 73.5 | Confident | 106 Ų | 106 | 69.1 Ų | 69.1 | 65% | 0.65 | 41% | 0.405 | S | S | * | . | B | Isolated β-bridge | trans | -87 | 141.7 | 170.1 | 46.3 | 0 | 0 | 0 | 0 | 110.7 | T534 | T529-T534 CarbonylContact C-O 3.48Å; T529-T534 WeakPolarHBondContact CA-O 3.5Å |
| 530 | T | 69.1 | Low | 74.2 | Confident | 9 Ų | 9 | 69.5 Ų | 69.5 | 6% | 0.055 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 161.7 | 174 | 73.8 | 0 | 0 | 0 | 0 | 111 | Q532 G533 T534 Y536 E546 | T530-Q532 PolarHBondContact O-N 3.37Å; T530-Q532 VanDerWaalsContact O-N 3.14Å; T530-Q532 PolarHBondContact OG1-N 2.9Å; T530-G533 PolarHBondContact O-N 2.82Å; T530-G533 PolarHBondContact OG1-N 2.88Å; T530-T534 WeakPolarHBondContact CG2-OG1 3.39Å; T530-T534 PolarHBondContact N-O 3.41Å; T530-T534 PolarHBondContact OG1-N 3.19Å; T530-T534 VanDerWaalsContact OG1-N 3.11Å; T530-T534 PolarHBondContact OG1-O 3.37Å; T530-T534 PolarHBondContact OG1-OG1 3.12Å; T530-T534 VanDerWaalsContact OG1-OG1 3.04Å; T530-Y536 HydrophobicContact CG2-CD1 4.47Å; T530-Y536 HydrophobicContact CG2-CD2 4.15Å; T530-Y536 HydrophobicContact CG2-CE1 4.17Å; T530-Y536 HydrophobicContact CG2-CE2 3.85Å; T530-Y536 HydrophobicContact CG2-CG 4.44Å; T530-E546 WeakPolarHBondContact CB-OE2 3.48Å; T530-E546 PolarHBondContact OG1-OE1 2.74Å; T530-E546 PolarHBondContact OG1-OE2 3.35Å |
| 531 | E | 64.6 | Low | 74.8 | Confident | 201 Ų | 201 | 68.1 Ų | 68.1 | 94% | 0.939 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.2 | 177.2 | -62.6 | -172.9 | 163.7 | 0 | 0 | 113.3 | ||
| 532 | Q | 59.9 | Low | 75.4 | Confident | 141 Ų | 141 | 67.3 Ų | 67.3 | 66% | 0.659 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 1.4 | -179.2 | -65.4 | 151.8 | 40.5 | 0 | 0 | 112.5 | T530 E546 | T530-Q532 PolarHBondContact O-N 3.37Å; T530-Q532 VanDerWaalsContact O-N 3.14Å; T530-Q532 PolarHBondContact OG1-N 2.9Å; Q532-E546 WeakPolarHBondContact CB-OE1 3.04Å; Q532-E546 VanDerWaalsContact CD-OE2 3.28Å; Q532-E546 PolarHBondContact OE1-OE2 3.26Å; Q532-E546 VanDerWaalsContact OE1-OE2 3.12Å |
| 533 | G | 63.9 | Low | 76.2 | Confident | 63 Ų | 63 | 63.8 Ų | 63.8 | 65% | 0.649 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 89.3 | 8.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | T530 | T530-G533 PolarHBondContact O-N 2.82Å; T530-G533 PolarHBondContact OG1-N 2.88Å |
| 534 | T | 70.8 | Confident | 76.9 | Confident | 63 Ų | 63 | 63.4 Ų | 63.4 | 39% | 0.387 | 36% | 0.357 | S | S | . | . | trans | -87.4 | 169 | 168.3 | 75.3 | 0 | 0 | 0 | 0 | 110.5 | T529 T530 E546 | T529-T534 CarbonylContact C-O 3.48Å; T529-T534 WeakPolarHBondContact CA-O 3.5Å; T530-T534 WeakPolarHBondContact CG2-OG1 3.39Å; T530-T534 PolarHBondContact N-O 3.41Å; T530-T534 PolarHBondContact OG1-N 3.19Å; T530-T534 VanDerWaalsContact OG1-N 3.11Å; T530-T534 PolarHBondContact OG1-O 3.37Å; T530-T534 PolarHBondContact OG1-OG1 3.12Å; T530-T534 VanDerWaalsContact OG1-OG1 3.04Å; T534-E546 WeakPolarHBondContact CB-OE1 3.3Å; T534-E546 VanDerWaalsContact CG2-OE1 3.24Å; T534-E546 WeakPolarHBondContact CG2-OE1 3.19Å; T534-E546 PolarHBondContact OG1-OE1 3.09Å | ||
| 535 | S | 73.4 | Confident | 77.2 | Confident | 64 Ų | 64 | 63.8 Ų | 63.8 | 45% | 0.448 | 35% | 0.35 | S | S | . | . | B | Isolated β-bridge | trans | -107.1 | 133.4 | 179.5 | -173 | 0 | 0 | 0 | 0 | 110.3 | ||
| 536 | Y | 80.3 | Confident | 77.2 | Confident | 42 Ų | 42 | 63.8 Ų | 63.8 | 17% | 0.165 | 35% | 0.348 | C | S | . | . | trans | -56.7 | 144.5 | 158 | -67.2 | -73 | 0 | 0 | 0 | 108.3 | R517 C527 H528 T530 C543 D544 | R517-Y536 HydrophobicContact CB-CD1 4.18Å; R517-Y536 HydrophobicContact CB-CD2 4.07Å; R517-Y536 HydrophobicContact CB-CE2 4.41Å; R517-Y536 HydrophobicContact CB-CG 3.97Å; R517-Y536 HydrophobicContact CG-CD1 4.21Å; R517-Y536 HydrophobicContact CG-CE1 4.14Å; R517-Y536 HydrophobicContact CG-CE2 4.49Å; R517-Y536 HydrophobicContact CG-CG 4.45Å; R517-Y536 VanDerWaalsContact NH1-CE1 3.32Å; C527-Y536 WeakPolarHBondContact CB-O 3.41Å; H528-Y536 HydrophobicContact CB-CD2 4.44Å; H528-Y536 VanDerWaalsContact O-CD2 3.29Å; H528-Y536 WeakPolarHBondContact O-CD2 3.48Å; H528-Y536 PolarHBondContact O-N 3.28Å; H528-Y536 VanDerWaalsContact O-N 3.09Å; T530-Y536 HydrophobicContact CG2-CD1 4.47Å; T530-Y536 HydrophobicContact CG2-CD2 4.15Å; T530-Y536 HydrophobicContact CG2-CE1 4.17Å; T530-Y536 HydrophobicContact CG2-CE2 3.85Å; T530-Y536 HydrophobicContact CG2-CG 4.44Å; Y536-C543 WeakPolarHBondContact CA-O 3.27Å; Y536-D544 HydrophobicContact CD1-CB 3.65Å; Y536-D544 HydrophobicContact CE1-CB 3.71Å | ||
| 537 | H | 80.1 | Confident | 77.3 | Confident | 72 Ų | 72 | 63.1 Ų | 63.1 | 33% | 0.333 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -145.2 | 171.7 | -176.1 | 63.6 | -87.2 | 0 | 0 | 0 | 111.5 | C541 E542 C543 D545 | H537-C541 CarbonylContact O-C 3Å; H537-E542 PolarHBondContact O-N 2.83Å; H537-C543 PolarHBondContact N-O 3.11Å; H537-C543 WeakPolarHBondContact NE2-CB 3.22Å; H537-C543 WeakPolarHBondContact O-CB 3.05Å; H537-C543 PolarHBondContact O-N 3.22Å; H537-D545 IonicContact CE1-OD1 3.74Å; H537-D545 IonicContact CE1-OD2 3.74Å |
| 538 | G | 79.9 | Confident | 77.7 | Confident | 41 Ų | 41 | 62 Ų | 62 | 42% | 0.423 | 34% | 0.337 | S | S | . | . | S | Bend | trans | 103 | 167.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y540 C541 E542 | G538-Y540 PolarHBondContact O-N 2.72Å; G538-C541 PolarHBondContact O-N 2.89Å; G538-E542 WeakPolarHBondContact CA-OE2 3.39Å |
| 539 | K | 80.6 | Confident | 78.1 | Confident | 140 Ų | 140 | 65.4 Ų | 65.4 | 61% | 0.609 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -28.8 | -174 | -179.2 | 178.5 | 175.7 | -165 | 0 | 112.3 | C525 E542 | C525-K539 WeakPolarHBondContact CB-O 3.33Å; K539-E542 PolarHBondContact N-OE2 2.93Å; K539-E542 VanDerWaalsContact N-OE2 3.1Å |
| 540 | Y | 84.6 | Confident | 78.8 | Confident | 42 Ų | 42 | 67 Ų | 67 | 17% | 0.165 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | 18.6 | -178.5 | -51.2 | -75.9 | 0 | 0 | 0 | 111.3 | T505 R508 C514 E515 G538 E542 | T505-Y540 WeakPolarHBondContact O-CE1 3.25Å; R508-Y540 HydrophobicContact CB-CD2 4Å; R508-Y540 HydrophobicContact CB-CE2 4.37Å; R508-Y540 HydrophobicContact CB-CG 4.16Å; R508-Y540 HydrophobicContact CG-CD2 4.18Å; R508-Y540 HydrophobicContact CG-CE2 4.36Å; C514-Y540 CarbonylContact C-O 3.56Å; C514-Y540 WeakPolarHBondContact CA-O 3.45Å; C514-Y540 VanDerWaalsContact O-O 3.08Å; E515-Y540 PolarHBondContact N-O 3.14Å; G538-Y540 PolarHBondContact O-N 2.72Å; Y540-E542 WeakPolarHBondContact CA-OE2 3.35Å; Y540-E542 PolarHBondContact N-OE2 3.41Å; Y540-E542 PolarHBondContact O-N 2.94Å |
| 541 | C | 85.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | S | Bend | trans | 58.2 | 30.1 | -175.5 | -48.1 | 0 | 0 | 0 | 0 | 113.7 | R517 C527 H537 G538 C543 | R517-C541 HydrophobicContact CB-CB 3.99Å; R517-C541 VanDerWaalsContact CD-O 3.23Å; R517-C541 WeakPolarHBondContact CD-O 3.35Å; C527-C541 WeakPolarHBondContact CA-SG 3.39Å; C527-C541 HydrophobicContact CB-CB 3.75Å; C527-C541 WeakPolarHBondContact CB-SG 3.38Å; C527-C541 PolarHBondContact N-SG 3.27Å; C527-C541 VanDerWaalsContact N-SG 3.45Å; C527-C541 WeakPolarHBondContact SG-CA 3.43Å; C527-C541 WeakPolarHBondContact SG-CB 3.36Å; C527-C541 CovalentContact SG-SG 2.04Å; C527-C541 PolarHBondContact SG-SG 3.24Å; H537-C541 CarbonylContact O-C 3Å; G538-C541 PolarHBondContact O-N 2.89Å; C541-C543 VanDerWaalsContact C-N 3.32Å; C541-C543 PolarHBondContact O-N 2.91Å |
| 542 | E | 83.4 | Confident | 80.6 | Confident | 49 Ų | 49 | 67.8 Ų | 67.8 | 23% | 0.229 | 36% | 0.355 | C | S | . | . | trans | -78.2 | -14.4 | -172.7 | 67 | -97.5 | -126 | 0 | 0 | 114.1 | R508 E515 H537 G538 K539 Y540 | R508-E542 IonicContact NH1-OE1 3.87Å; R508-E542 PolarHBondContact NH1-OE1 2.97Å; E515-E542 HydrophobicContact CG-CB 3.89Å; H537-E542 PolarHBondContact O-N 2.83Å; G538-E542 WeakPolarHBondContact CA-OE2 3.39Å; K539-E542 PolarHBondContact N-OE2 2.93Å; K539-E542 VanDerWaalsContact N-OE2 3.1Å; Y540-E542 WeakPolarHBondContact CA-OE2 3.35Å; Y540-E542 PolarHBondContact N-OE2 3.41Å; Y540-E542 PolarHBondContact O-N 2.94Å | ||
| 543 | C | 85.8 | Confident | 81.9 | Confident | 18 Ų | 18 | 68.8 Ų | 68.8 | 12% | 0.122 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -113.3 | 142.3 | -172.5 | -67.1 | 0 | 0 | 0 | 0 | 112.1 | Y536 H537 C541 C564 | Y536-C543 WeakPolarHBondContact CA-O 3.27Å; H537-C543 PolarHBondContact N-O 3.11Å; H537-C543 WeakPolarHBondContact NE2-CB 3.22Å; H537-C543 WeakPolarHBondContact O-CB 3.05Å; H537-C543 PolarHBondContact O-N 3.22Å; C541-C543 VanDerWaalsContact C-N 3.32Å; C541-C543 PolarHBondContact O-N 2.91Å; C543-C564 VanDerWaalsContact CA-SG 3.53Å; C543-C564 HydrophobicContact CB-CB 3.57Å; C543-C564 WeakPolarHBondContact CB-SG 3.28Å; C543-C564 WeakPolarHBondContact SG-CB 2.99Å; C543-C564 CovalentContact SG-SG 2.02Å; C543-C564 PolarHBondContact SG-SG 3.13Å |
| 544 | D | 85 | Confident | 83 | Confident | 8 Ų | 8 | 71.9 Ų | 71.9 | 4% | 0.043 | 36% | 0.36 | C | S | . | . | trans | -144 | 163 | 161.3 | 70.8 | 86.3 | 0 | 0 | 0 | 109.7 | R517 Y536 E546 H547 C564 | R517-D544 IonicContact CZ-OD2 2.69Å; R517-D544 IonicContact NH1-OD2 3.97Å; R517-D544 PolarHBondContact NH1-OD2 3.49Å; Y536-D544 HydrophobicContact CD1-CB 3.65Å; Y536-D544 HydrophobicContact CE1-CB 3.71Å; D544-E546 WeakPolarHBondContact OD1-CA 3.05Å; D544-E546 PolarHBondContact OD1-N 3.01Å; D544-H547 VanDerWaalsContact OD1-CB 3.28Å; D544-H547 WeakPolarHBondContact OD1-CB 3.25Å; D544-H547 IonicContact OD1-CE1 3.24Å; D544-H547 IonicContact OD1-CG 3.63Å; D544-H547 PolarHBondContact OD1-N 2.92Å; D544-H547 IonicContact OD1-ND1 3.8Å; D544-H547 PolarHBondContact OD1-ND1 3.39Å; D544-H547 IonicContact OD2-CG 3.04Å; D544-H547 IonicContact OD2-ND1 3.1Å; D544-H547 PolarHBondContact OD2-ND1 3.32Å; D544-C564 WeakPolarHBondContact O-CA 3.29Å; D544-C564 PolarHBondContact O-N 3.46Å | ||
| 545 | D | 82.8 | Confident | 83.8 | Confident | 72 Ų | 72 | 71.6 Ų | 71.6 | 39% | 0.385 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -105.7 | 14.6 | -179.4 | -64 | -28.3 | 0 | 0 | 0 | 112.4 | H537 C562 N563 C564 | H537-D545 IonicContact CE1-OD1 3.74Å; H537-D545 IonicContact CE1-OD2 3.74Å; D545-C562 VanDerWaalsContact C-SG 3.53Å; D545-C562 VanDerWaalsContact O-CB 3.31Å; D545-C562 WeakPolarHBondContact O-CB 3.3Å; D545-C562 PolarHBondContact O-SG 3Å; D545-N563 WeakPolarHBondContact OD1-CA 3.21Å; D545-C564 PolarHBondContact OD1-N 3.25Å |
| 546 | E | 79.7 | Confident | 84.6 | Confident | 24 Ų | 24 | 68.6 Ų | 68.6 | 11% | 0.112 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -109.3 | -21.9 | -176.5 | -66.2 | 176.1 | -171.2 | 0 | 0 | 112.5 | T530 Q532 T534 D544 L555 | T530-E546 WeakPolarHBondContact CB-OE2 3.48Å; T530-E546 PolarHBondContact OG1-OE1 2.74Å; T530-E546 PolarHBondContact OG1-OE2 3.35Å; Q532-E546 WeakPolarHBondContact CB-OE1 3.04Å; Q532-E546 VanDerWaalsContact CD-OE2 3.28Å; Q532-E546 PolarHBondContact OE1-OE2 3.26Å; Q532-E546 VanDerWaalsContact OE1-OE2 3.12Å; T534-E546 WeakPolarHBondContact CB-OE1 3.3Å; T534-E546 VanDerWaalsContact CG2-OE1 3.24Å; T534-E546 WeakPolarHBondContact CG2-OE1 3.19Å; T534-E546 PolarHBondContact OG1-OE1 3.09Å; D544-E546 WeakPolarHBondContact OD1-CA 3.05Å; D544-E546 PolarHBondContact OD1-N 3.01Å; E546-L555 WeakPolarHBondContact O-CD1 3.3Å |
| 547 | H | 83.3 | Confident | 85 | Confident | 104 Ų | 104 | 67.4 Ų | 67.4 | 48% | 0.481 | 33% | 0.333 | S | S | . | . | trans | -114.1 | 59.6 | -172.8 | -59.2 | 89.1 | 0 | 0 | 0 | 112.6 | D544 | D544-H547 VanDerWaalsContact OD1-CB 3.28Å; D544-H547 WeakPolarHBondContact OD1-CB 3.25Å; D544-H547 IonicContact OD1-CE1 3.24Å; D544-H547 IonicContact OD1-CG 3.63Å; D544-H547 PolarHBondContact OD1-N 2.92Å; D544-H547 IonicContact OD1-ND1 3.8Å; D544-H547 PolarHBondContact OD1-ND1 3.39Å; D544-H547 IonicContact OD2-CG 3.04Å; D544-H547 IonicContact OD2-ND1 3.1Å; D544-H547 PolarHBondContact OD2-ND1 3.32Å | ||
| 548 | C | 87.3 | Confident | 85.4 | Confident | 12 Ų | 12 | 66.6 Ų | 66.6 | 8% | 0.081 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -95.6 | 169.9 | 161.8 | -71 | 0 | 0 | 0 | 0 | 111.7 | K550 L555 C562 G565 Q566 C567 | C548-K550 PolarHBondContact O-N 3.18Å; C548-L555 HydrophobicContact CB-CD1 3.79Å; C548-L555 HydrophobicContact CB-CG 4.41Å; C548-L555 VanDerWaalsContact O-CD1 3.29Å; C548-L555 WeakPolarHBondContact O-CD1 3.46Å; C548-C562 HydrophobicContact CB-CB 3.71Å; C548-C562 WeakPolarHBondContact CB-SG 3.39Å; C548-C562 PolarHBondContact N-SG 3.01Å; C548-C562 WeakPolarHBondContact SG-CA 3.23Å; C548-C562 WeakPolarHBondContact SG-CB 3.41Å; C548-C562 CovalentContact SG-SG 2.02Å; C548-C562 PolarHBondContact SG-SG 3.23Å; C548-G565 VanDerWaalsContact SG-CA 3.56Å; C548-Q566 VanDerWaalsContact SG-C 3.54Å; C548-Q566 PolarHBondContact SG-N 3.41Å; C548-Q566 VanDerWaalsContact SG-N 3.38Å; C548-Q566 PolarHBondContact SG-O 2.62Å; C548-C567 VanDerWaalsContact CB-SG 3.56Å |
| 549 | E | 86.3 | Confident | 85.8 | Confident | 102 Ų | 102 | 67.1 Ų | 67.1 | 48% | 0.477 | 34% | 0.338 | S | S | . | . | trans | -57.2 | 138.1 | 175.9 | -68.8 | -173.7 | -163.4 | 0 | 0 | 111.9 | C556 S576 A577 | E549-C556 PolarHBondContact O-N 3.44Å; E549-S576 WeakPolarHBondContact OE1-CB 3.36Å; E549-S576 WeakPolarHBondContact OE2-CB 3.09Å; E549-S576 PolarHBondContact OE2-OG 2.95Å; E549-A577 HydrophobicContact CB-CB 3.63Å | ||
| 550 | K | 88.7 | Confident | 86.2 | Confident | 139 Ų | 139 | 61.3 Ų | 61.3 | 60% | 0.604 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 139 | 177.8 | -63.3 | -178.6 | -178.3 | 176.7 | 0 | 109.5 | C548 K554 L555 | C548-K550 PolarHBondContact O-N 3.18Å; K550-K554 VanDerWaalsContact CA-O 3.26Å; K550-K554 WeakPolarHBondContact CA-O 3.41Å; K550-L555 HydrophobicContact CG-CD1 4.25Å |
| 551 | Y | 86.1 | Confident | 86.4 | Confident | 101 Ų | 101 | 67.1 Ų | 67.1 | 40% | 0.396 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 131.9 | 170.5 | -172.7 | -91.4 | 0 | 0 | 0 | 108.2 | N553 K554 A557 Q579 | Y551-N553 PolarHBondContact O-N 3.37Å; Y551-K554 PolarHBondContact N-O 3.42Å; Y551-K554 PolarHBondContact O-N 3.28Å; Y551-A557 HydrophobicContact CD1-CB 4.39Å; Y551-Q579 HydrophobicContact CD1-CB 3.91Å; Y551-Q579 HydrophobicContact CD2-CB 3.37Å; Y551-Q579 HydrophobicContact CD2-CG 3.96Å; Y551-Q579 HydrophobicContact CE1-CB 4.23Å; Y551-Q579 HydrophobicContact CE2-CB 3.72Å; Y551-Q579 HydrophobicContact CE2-CG 4.13Å; Y551-Q579 HydrophobicContact CG-CB 3.47Å; Y551-Q579 VanDerWaalsContact CG-CB 3.47Å |
| 552 | D | 86 | Confident | 86.5 | Confident | 127 Ų | 127 | 68 Ų | 68 | 68% | 0.679 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 45.6 | -170.1 | -70 | -24.7 | 0 | 0 | 0 | 113.4 | K554 | D552-K554 PolarHBondContact O-N 3.35Å; D552-K554 VanDerWaalsContact O-N 3.07Å |
| 553 | N | 86.6 | Confident | 86.7 | Confident | 161 Ų | 161 | 68.9 Ų | 68.9 | 86% | 0.861 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 13.5 | -177.4 | -64.9 | -34.5 | 0 | 0 | 0 | 115.6 | Y551 | Y551-N553 PolarHBondContact O-N 3.37Š|
| 554 | K | 87.6 | Confident | 86.7 | Confident | 128 Ų | 128 | 70.3 Ų | 70.3 | 56% | 0.557 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 133.2 | 175.7 | -64.1 | 178.7 | -175.3 | 177 | 0 | 110.8 | K550 Y551 D552 C556 A557 | K550-K554 VanDerWaalsContact CA-O 3.26Å; K550-K554 WeakPolarHBondContact CA-O 3.41Å; Y551-K554 PolarHBondContact N-O 3.42Å; Y551-K554 PolarHBondContact O-N 3.28Å; D552-K554 PolarHBondContact O-N 3.35Å; D552-K554 VanDerWaalsContact O-N 3.07Å; K554-C556 PolarHBondContact O-N 2.01Å; K554-A557 PolarHBondContact O-N 2.91Å |
| 555 | L | 88.2 | Confident | 86.5 | Confident | 58 Ų | 58 | 71.9 Ų | 71.9 | 30% | 0.304 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 124.1 | 174.9 | -168.2 | 70 | 0 | 0 | 0 | 109.8 | E546 C548 K550 A557 G558 C562 | E546-L555 WeakPolarHBondContact O-CD1 3.3Å; C548-L555 HydrophobicContact CB-CD1 3.79Å; C548-L555 HydrophobicContact CB-CG 4.41Å; C548-L555 VanDerWaalsContact O-CD1 3.29Å; C548-L555 WeakPolarHBondContact O-CD1 3.46Å; K550-L555 HydrophobicContact CG-CD1 4.25Å; L555-A557 PolarHBondContact O-N 3.05Å; L555-G558 PolarHBondContact O-N 3.36Å; L555-C562 HydrophobicContact CD2-CB 3.9Å; L555-C562 HydrophobicContact CG-CB 4.33Å |
| 556 | C | 90.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | 51.3 | 39.1 | -175.8 | -54.7 | 0 | 0 | 0 | 0 | 113.8 | E549 K554 G558 I559 G560 C567 A577 | E549-C556 PolarHBondContact O-N 3.44Å; K554-C556 PolarHBondContact O-N 2.01Å; C556-G558 PolarHBondContact O-N 2.02Å; C556-I559 PolarHBondContact O-N 3.22Å; C556-G560 PolarHBondContact O-N 3.16Å; C556-C567 WeakPolarHBondContact CA-SG 3.04Å; C556-C567 HydrophobicContact CB-CB 3.68Å; C556-C567 WeakPolarHBondContact CB-SG 3.02Å; C556-C567 VanDerWaalsContact SG-CA 3.5Å; C556-C567 WeakPolarHBondContact SG-CB 3.4Å; C556-C567 CovalentContact SG-SG 2.04Å; C556-C567 PolarHBondContact SG-SG 3Å; C556-A577 CarbonylContact C-O 3.56Å; C556-A577 WeakPolarHBondContact CA-O 2.99Å |
| 557 | A | 87.8 | Confident | 87.2 | Confident | 17 Ų | 17 | 75.4 Ų | 75.4 | 14% | 0.14 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | 57 | 7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y551 K554 L555 A577 | Y551-A557 HydrophobicContact CD1-CB 4.39Å; K554-A557 PolarHBondContact O-N 2.91Å; L555-A557 PolarHBondContact O-N 3.05Å; A557-A577 WeakPolarHBondContact CB-O 3.5Å; A557-A577 PolarHBondContact N-O 3.05Å |
| 558 | G | 87.8 | Confident | 87.6 | Confident | 56 Ų | 56 | 78.3 Ų | 78.3 | 58% | 0.577 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | 72.9 | 9.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L555 C556 | L555-G558 PolarHBondContact O-N 3.36Å; C556-G558 PolarHBondContact O-N 2.02Å |
| 559 | I | 88.1 | Confident | 87.8 | Confident | 52 Ų | 52 | 79.7 Ų | 79.7 | 27% | 0.267 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -127.2 | 34 | -174.7 | -47.4 | 172.9 | 0 | 0 | 0 | 109.8 | C556 D570 Y573 | C556-I559 PolarHBondContact O-N 3.22Å; I559-D570 HydrophobicContact CG2-CB 3.9Å; I559-D570 PolarHBondContact O-N 2.76Å; I559-Y573 HydrophobicContact CD1-CD1 4.32Å; I559-Y573 HydrophobicContact CD1-CE1 3.76Å; I559-Y573 HydrophobicContact CD1-CE2 4.4Å; I559-Y573 HydrophobicContact CG2-CD1 4.46Å; I559-Y573 HydrophobicContact CG2-CD2 3.66Å; I559-Y573 HydrophobicContact CG2-CE2 3.82Å; I559-Y573 HydrophobicContact CG2-CG 4.01Å |
| 560 | G | 89.5 | Confident | 88 | Confident | 18 Ų | 18 | 78.4 Ų | 78.4 | 19% | 0.186 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.7 | 167.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | C556 R568 | C556-G560 PolarHBondContact O-N 3.16Å; G560-R568 CarbonylContact C-O 3.58Å; G560-R568 WeakPolarHBondContact CA-O 3.5Å |
| 561 | K | 89.6 | Confident | 88 | Confident | 163 Ų | 163 | 78.1 Ų | 78.1 | 71% | 0.709 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 132.9 | 177.9 | -66.6 | -175.7 | 179.6 | -178.8 | 0 | 110.7 | R568 | K561-R568 PolarHBondContact N-O 2.93Å; K561-R568 PolarHBondContact O-N 2.96Å |
| 562 | C | 87.8 | Confident | 87.9 | Confident | 18 Ų | 18 | 75.6 Ų | 75.6 | 12% | 0.122 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 137.4 | 173 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | D545 C548 L555 | D545-C562 VanDerWaalsContact C-SG 3.53Å; D545-C562 VanDerWaalsContact O-CB 3.31Å; D545-C562 WeakPolarHBondContact O-CB 3.3Å; D545-C562 PolarHBondContact O-SG 3Å; C548-C562 HydrophobicContact CB-CB 3.71Å; C548-C562 WeakPolarHBondContact CB-SG 3.39Å; C548-C562 PolarHBondContact N-SG 3.01Å; C548-C562 WeakPolarHBondContact SG-CA 3.23Å; C548-C562 WeakPolarHBondContact SG-CB 3.41Å; C548-C562 CovalentContact SG-SG 2.02Å; C548-C562 PolarHBondContact SG-SG 3.23Å; L555-C562 HydrophobicContact CD2-CB 3.9Å; L555-C562 HydrophobicContact CG-CB 4.33Å |
| 563 | N | 85.9 | Confident | 88 | Confident | 68 Ų | 68 | 73.3 Ų | 73.3 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 108.2 | 172 | -172.6 | -87.3 | 0 | 0 | 0 | 108.6 | D545 G565 Q566 | D545-N563 WeakPolarHBondContact OD1-CA 3.21Å; N563-G565 PolarHBondContact O-N 3.38Å; N563-Q566 PolarHBondContact N-O 3.48Å; N563-Q566 PolarHBondContact O-N 3.29Å |
| 564 | C | 85.9 | Confident | 88.1 | Confident | 48 Ų | 48 | 70.6 Ų | 70.6 | 32% | 0.324 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43 | 56.8 | -179.6 | -171.8 | 0 | 0 | 0 | 0 | 113.6 | C543 D544 D545 Q566 | C543-C564 VanDerWaalsContact CA-SG 3.53Å; C543-C564 HydrophobicContact CB-CB 3.57Å; C543-C564 WeakPolarHBondContact CB-SG 3.28Å; C543-C564 WeakPolarHBondContact SG-CB 2.99Å; C543-C564 CovalentContact SG-SG 2.02Å; C543-C564 PolarHBondContact SG-SG 3.13Å; D544-C564 WeakPolarHBondContact O-CA 3.29Å; D544-C564 PolarHBondContact O-N 3.46Å; D545-C564 PolarHBondContact OD1-N 3.25Å; C564-Q566 VanDerWaalsContact C-N 3.29Å; C564-Q566 PolarHBondContact O-N 3.31Å |
| 565 | G | 81.4 | Confident | 88.1 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 42% | 0.423 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | -0.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | C548 N563 | C548-G565 VanDerWaalsContact SG-CA 3.56Å; N563-G565 PolarHBondContact O-N 3.38Å |
| 566 | Q | 86.9 | Confident | 88.1 | Confident | 152 Ų | 152 | 66.5 Ų | 66.5 | 71% | 0.71 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.8 | 173.6 | -67.8 | -174.8 | -3.8 | 0 | 0 | 112.4 | C548 N563 C564 | C548-Q566 VanDerWaalsContact SG-C 3.54Å; C548-Q566 PolarHBondContact SG-N 3.41Å; C548-Q566 VanDerWaalsContact SG-N 3.38Å; C548-Q566 PolarHBondContact SG-O 2.62Å; N563-Q566 PolarHBondContact N-O 3.48Å; N563-Q566 PolarHBondContact O-N 3.29Å; C564-Q566 VanDerWaalsContact C-N 3.29Å; C564-Q566 PolarHBondContact O-N 3.31Å |
| 567 | C | 90.3 | Very high | 88.2 | Confident | 19 Ų | 19 | 66.6 Ų | 66.6 | 13% | 0.128 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 121.7 | 173.5 | -69.5 | 0 | 0 | 0 | 0 | 111.4 | C548 C556 S576 C578 | C548-C567 VanDerWaalsContact CB-SG 3.56Å; C556-C567 WeakPolarHBondContact CA-SG 3.04Å; C556-C567 HydrophobicContact CB-CB 3.68Å; C556-C567 WeakPolarHBondContact CB-SG 3.02Å; C556-C567 VanDerWaalsContact SG-CA 3.5Å; C556-C567 WeakPolarHBondContact SG-CB 3.4Å; C556-C567 CovalentContact SG-SG 2.04Å; C556-C567 PolarHBondContact SG-SG 3Å; C567-S576 WeakPolarHBondContact CB-O 3.44Å; C567-C578 VanDerWaalsContact CB-SG 3.57Å |
| 568 | R | 91.3 | Very high | 88.3 | Confident | 165 Ų | 165 | 65.8 Ų | 65.8 | 62% | 0.623 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 106.4 | 167.3 | -65.4 | -172.9 | -179.1 | 177.6 | 4.1 | 109 | G560 K561 | G560-R568 CarbonylContact C-O 3.58Å; G560-R568 WeakPolarHBondContact CA-O 3.5Å; K561-R568 PolarHBondContact N-O 2.93Å; K561-R568 PolarHBondContact O-N 2.96Å |
| 569 | C | 91.1 | Very high | 88.4 | Confident | 41 Ų | 41 | 66.4 Ų | 66.4 | 28% | 0.277 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 146.6 | -174.1 | -51.5 | 0 | 0 | 0 | 0 | 113.2 | Y573 C578 | C569-Y573 WeakPolarHBondContact CB-O 3.02Å; C569-C578 WeakPolarHBondContact CA-SG 3.47Å; C569-C578 HydrophobicContact CB-CB 3.65Å; C569-C578 WeakPolarHBondContact CB-SG 3.45Å; C569-C578 PolarHBondContact N-SG 2.91Å; C569-C578 VanDerWaalsContact N-SG 3.44Å; C569-C578 WeakPolarHBondContact SG-CA 3.43Å; C569-C578 WeakPolarHBondContact SG-CB 3.49Å; C569-C578 CovalentContact SG-SG 2.03Å; C569-C578 PolarHBondContact SG-SG 2.88Å |
| 570 | D | 90.8 | Very high | 88.4 | Confident | 75 Ų | 75 | 64.2 Ų | 64.2 | 40% | 0.401 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 155.6 | 170.3 | -64.6 | -22.4 | 0 | 0 | 0 | 110.8 | I559 G572 Y573 | I559-D570 HydrophobicContact CG2-CB 3.9Å; I559-D570 PolarHBondContact O-N 2.76Å; D570-G572 PolarHBondContact O-N 2.8Å; D570-Y573 PolarHBondContact O-N 2.86Å |
| 571 | P | 88.4 | Confident | 88.3 | Confident | 133 Ų | 133 | 67.3 Ų | 67.3 | 86% | 0.864 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 131.8 | -179.6 | -26.6 | 34.9 | 0 | 0 | 0 | 113.3 | ||
| 572 | G | 84.3 | Confident | 88.1 | Confident | 47 Ų | 47 | 63.7 Ų | 63.7 | 49% | 0.485 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | -3.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | D570 V582 | D570-G572 PolarHBondContact O-N 2.8Å; G572-V582 WeakPolarHBondContact O-CG2 3.07Å; G572-V582 PolarHBondContact O-N 2.84Å; G572-V582 VanDerWaalsContact O-N 3.08Å |
| 573 | Y | 89.4 | Confident | 87.9 | Confident | 80 Ų | 80 | 64.5 Ų | 64.5 | 31% | 0.314 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 148.6 | 174.5 | -68 | -96.4 | 0 | 0 | 0 | 111.2 | I559 C569 D570 C580 K581 | I559-Y573 HydrophobicContact CD1-CD1 4.32Å; I559-Y573 HydrophobicContact CD1-CE1 3.76Å; I559-Y573 HydrophobicContact CD1-CE2 4.4Å; I559-Y573 HydrophobicContact CG2-CD1 4.46Å; I559-Y573 HydrophobicContact CG2-CD2 3.66Å; I559-Y573 HydrophobicContact CG2-CE2 3.82Å; I559-Y573 HydrophobicContact CG2-CG 4.01Å; C569-Y573 WeakPolarHBondContact CB-O 3.02Å; D570-Y573 PolarHBondContact O-N 2.86Å; Y573-C580 CarbonylContact C-O 3.58Å; Y573-C580 WeakPolarHBondContact CA-O 2.98Å; Y573-K581 HydrophobicContact CE1-CB 4.27Å; Y573-K581 HydrophobicContact CE1-CG 4.44Å |
| 574 | Q | 88.2 | Confident | 87.9 | Confident | 103 Ų | 103 | 63.8 Ų | 63.8 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 178.7 | 178.4 | 69.1 | -178.1 | 6.3 | 0 | 0 | 110.5 | C578 Q579 C580 V582 | Q574-C578 CarbonylContact O-C 3.55Å; Q574-C578 WeakPolarHBondContact O-CA 3.42Å; Q574-Q579 PolarHBondContact O-N 3.01Å; Q574-C580 HydrophobicContact CG-CB 3.77Å; Q574-C580 PolarHBondContact N-O 2.8Å; Q574-C580 WeakPolarHBondContact O-CA 3Å; Q574-C580 WeakPolarHBondContact O-CB 3.48Å; Q574-C580 PolarHBondContact O-N 2.92Å; Q574-V582 HydrophobicContact CB-CG2 4.15Å; Q574-V582 HydrophobicContact CG-CG2 3.85Å |
| 575 | G | 87.4 | Confident | 87.9 | Confident | 38 Ų | 38 | 67.8 Ų | 67.8 | 39% | 0.392 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 99.3 | 161.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A577 C578 | G575-A577 PolarHBondContact O-N 2.81Å; G575-C578 PolarHBondContact O-N 2.92Å; G575-C578 VanDerWaalsContact O-N 3.1Å |
| 576 | S | 88.8 | Confident | 87.9 | Confident | 63 Ų | 63 | 67.8 Ų | 67.8 | 44% | 0.441 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -27.9 | -175.1 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | E549 C567 | E549-S576 WeakPolarHBondContact OE1-CB 3.36Å; E549-S576 WeakPolarHBondContact OE2-CB 3.09Å; E549-S576 PolarHBondContact OE2-OG 2.95Å; C567-S576 WeakPolarHBondContact CB-O 3.44Å |
| 577 | A | 90.6 | Very high | 87.9 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 2% | 0.017 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 14.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E549 C556 A557 G575 Q579 | E549-A577 HydrophobicContact CB-CB 3.63Å; C556-A577 CarbonylContact C-O 3.56Å; C556-A577 WeakPolarHBondContact CA-O 2.99Å; A557-A577 WeakPolarHBondContact CB-O 3.5Å; A557-A577 PolarHBondContact N-O 3.05Å; G575-A577 PolarHBondContact O-N 2.81Å; A577-Q579 VanDerWaalsContact C-OE1 3.28Å; A577-Q579 VanDerWaalsContact CA-OE1 3.31Å; A577-Q579 PolarHBondContact O-N 3.33Å |
| 578 | C | 91.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 59.3 | 24.1 | -173.9 | -50.2 | 0 | 0 | 0 | 0 | 115 | C567 C569 Q574 G575 C580 | C567-C578 VanDerWaalsContact CB-SG 3.57Å; C569-C578 WeakPolarHBondContact CA-SG 3.47Å; C569-C578 HydrophobicContact CB-CB 3.65Å; C569-C578 WeakPolarHBondContact CB-SG 3.45Å; C569-C578 PolarHBondContact N-SG 2.91Å; C569-C578 VanDerWaalsContact N-SG 3.44Å; C569-C578 WeakPolarHBondContact SG-CA 3.43Å; C569-C578 WeakPolarHBondContact SG-CB 3.49Å; C569-C578 CovalentContact SG-SG 2.03Å; C569-C578 PolarHBondContact SG-SG 2.88Å; Q574-C578 CarbonylContact O-C 3.55Å; Q574-C578 WeakPolarHBondContact O-CA 3.42Å; G575-C578 PolarHBondContact O-N 2.92Å; G575-C578 VanDerWaalsContact O-N 3.1Å; C578-C580 VanDerWaalsContact C-N 3.33Å; C578-C580 PolarHBondContact O-N 2.73Å |
| 579 | Q | 88.9 | Confident | 87.6 | Confident | 68 Ų | 68 | 58.5 Ų | 58.5 | 32% | 0.318 | 34% | 0.336 | S | S | . | . | trans | -75.7 | -19.4 | -174.8 | 70.4 | -83.3 | 29.6 | 0 | 0 | 114.1 | Y551 Q574 A577 | Y551-Q579 HydrophobicContact CD1-CB 3.91Å; Y551-Q579 HydrophobicContact CD2-CB 3.37Å; Y551-Q579 HydrophobicContact CD2-CG 3.96Å; Y551-Q579 HydrophobicContact CE1-CB 4.23Å; Y551-Q579 HydrophobicContact CE2-CB 3.72Å; Y551-Q579 HydrophobicContact CE2-CG 4.13Å; Y551-Q579 HydrophobicContact CG-CB 3.47Å; Y551-Q579 VanDerWaalsContact CG-CB 3.47Å; Q574-Q579 PolarHBondContact O-N 3.01Å; A577-Q579 VanDerWaalsContact C-OE1 3.28Å; A577-Q579 VanDerWaalsContact CA-OE1 3.31Å; A577-Q579 PolarHBondContact O-N 3.33Å | ||
| 580 | C | 88.9 | Confident | 87.1 | Confident | 6 Ų | 6 | 62 Ų | 62 | 4% | 0.041 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 114.6 | -166.8 | -170.7 | 0 | 0 | 0 | 0 | 110.5 | Y573 Q574 C578 C603 | Y573-C580 CarbonylContact C-O 3.58Å; Y573-C580 WeakPolarHBondContact CA-O 2.98Å; Q574-C580 HydrophobicContact CG-CB 3.77Å; Q574-C580 PolarHBondContact N-O 2.8Å; Q574-C580 WeakPolarHBondContact O-CA 3Å; Q574-C580 WeakPolarHBondContact O-CB 3.48Å; Q574-C580 PolarHBondContact O-N 2.92Å; C578-C580 VanDerWaalsContact C-N 3.33Å; C578-C580 PolarHBondContact O-N 2.73Å; C580-C603 HydrophobicContact CB-CB 3.86Å; C580-C603 WeakPolarHBondContact CB-SG 3.45Å; C580-C603 WeakPolarHBondContact SG-CA 3.35Å; C580-C603 WeakPolarHBondContact SG-CB 3.47Å; C580-C603 CovalentContact SG-SG 2.03Å; C580-C603 PolarHBondContact SG-SG 2.04Å |
| 581 | K | 86.8 | Confident | 86.6 | Confident | 83 Ų | 83 | 62.1 Ų | 62.1 | 36% | 0.361 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 134.2 | 169.9 | -166.3 | 178.3 | -177.4 | -172.5 | 0 | 109.4 | Y573 S583 N604 | Y573-K581 HydrophobicContact CE1-CB 4.27Å; Y573-K581 HydrophobicContact CE1-CG 4.44Å; K581-S583 PolarHBondContact O-N 2.82Å; K581-N604 HydrophobicContact CB-CB 4.4Å |
| 582 | V | 85.1 | Confident | 86.4 | Confident | 88 Ų | 88 | 58.3 Ų | 58.3 | 53% | 0.533 | 35% | 0.346 | S | S | . | . | trans | -75.6 | -9.7 | -178 | -178.3 | 0 | 0 | 0 | 0 | 113 | G572 Q574 | G572-V582 WeakPolarHBondContact O-CG2 3.07Å; G572-V582 PolarHBondContact O-N 2.84Å; G572-V582 VanDerWaalsContact O-N 3.08Å; Q574-V582 HydrophobicContact CB-CG2 4.15Å; Q574-V582 HydrophobicContact CG-CG2 3.85Å | ||
| 583 | S | 84 | Confident | 86.5 | Confident | 34 Ų | 34 | 57.2 Ų | 57.2 | 24% | 0.238 | 33% | 0.331 | C | S | . | . | trans | -71.2 | 154.5 | -179.8 | -173.6 | 0 | 0 | 0 | 0 | 113.6 | K581 E585 N604 | K581-S583 PolarHBondContact O-N 2.82Å; S583-E585 WeakPolarHBondContact OG-CG 3.49Å; S583-E585 PolarHBondContact OG-N 3.34Å; S583-E585 PolarHBondContact OG-OE2 2.9Å; S583-N604 VanDerWaalsContact C-OD1 3.31Å; S583-N604 WeakPolarHBondContact O-CA 3.29Å; S583-N604 VanDerWaalsContact O-CB 3.3Å; S583-N604 WeakPolarHBondContact O-CB 3.41Å; S583-N604 PolarHBondContact O-OD1 3.32Å | ||
| 584 | D | 85.3 | Confident | 86.5 | Confident | 54 Ų | 54 | 56.8 Ų | 56.8 | 29% | 0.289 | 33% | 0.333 | S | S | . | . | trans | -106.9 | -1.7 | 174.4 | 73.1 | -2.3 | 0 | 0 | 0 | 113.9 | G586 C587 R588 N604 | D584-G586 VanDerWaalsContact C-N 3.29Å; D584-G586 PolarHBondContact O-N 2.91Å; D584-C587 WeakPolarHBondContact O-CB 3.45Å; D584-C587 PolarHBondContact O-N 2.93Å; D584-R588 PolarHBondContact O-N 3.34Å; D584-R588 IonicContact OD1-CZ 2.7Å; D584-R588 IonicContact OD1-NE 2.61Å; D584-R588 PolarHBondContact OD1-NE 2.87Å; D584-R588 VanDerWaalsContact OD1-NE 3.1Å; D584-R588 IonicContact OD1-NH2 3.67Å; D584-R588 PolarHBondContact OD1-NH2 3.27Å; D584-R588 IonicContact OD2-CZ 2.73Å; D584-R588 IonicContact OD2-NE 3.67Å; D584-R588 IonicContact OD2-NH2 3.07Å; D584-R588 PolarHBondContact OD2-NH2 3.1Å; D584-N604 VanDerWaalsContact C-OD1 3.25Å | ||
| 585 | E | 85.3 | Confident | 86.6 | Confident | 131 Ų | 131 | 51.9 Ų | 51.9 | 61% | 0.612 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -55.7 | -39.6 | -173.5 | -73.9 | 172.6 | 154.2 | 0 | 0 | 113.5 | S583 C587 R588 N604 | S583-E585 WeakPolarHBondContact OG-CG 3.49Å; S583-E585 PolarHBondContact OG-N 3.34Å; S583-E585 PolarHBondContact OG-OE2 2.9Å; E585-C587 PolarHBondContact O-N 3.39Å; E585-R588 PolarHBondContact O-N 3.1Å; E585-N604 PolarHBondContact N-OD1 2.99Å |
| 586 | G | 82.1 | Confident | 86.7 | Confident | 41 Ų | 41 | 51.4 Ų | 51.4 | 42% | 0.423 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -70.9 | -15.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | D584 N604 | D584-G586 VanDerWaalsContact C-N 3.29Å; D584-G586 PolarHBondContact O-N 2.91Å; G586-N604 PolarHBondContact N-OD1 3.35Å |
| 587 | C | 87.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -96.4 | -9.6 | 177.7 | -61.2 | 0 | 0 | 0 | 0 | 113.4 | D584 E585 I594 C595 C601 Q605 | D584-C587 WeakPolarHBondContact O-CB 3.45Å; D584-C587 PolarHBondContact O-N 2.93Å; E585-C587 PolarHBondContact O-N 3.39Å; C587-I594 HydrophobicContact CB-CG2 3.95Å; C587-C595 PolarHBondContact O-N 2.66Å; C587-C601 HydrophobicContact CB-CB 3.5Å; C587-C601 WeakPolarHBondContact CB-SG 2.86Å; C587-C601 VanDerWaalsContact SG-CA 3.57Å; C587-C601 WeakPolarHBondContact SG-CB 3.49Å; C587-C601 CovalentContact SG-SG 2.03Å; C587-C601 PolarHBondContact SG-SG 2.02Å; C587-Q605 PolarHBondContact SG-N 2.87Å |
| 588 | R | 89 | Confident | 86.7 | Confident | 131 Ų | 131 | 50.7 Ų | 50.7 | 49% | 0.494 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -73.4 | 131.2 | -179.8 | -69.5 | 179.2 | -176.8 | -117.2 | -6.6 | 110.3 | D584 E585 S593 Q616 | D584-R588 PolarHBondContact O-N 3.34Å; D584-R588 IonicContact OD1-CZ 2.7Å; D584-R588 IonicContact OD1-NE 2.61Å; D584-R588 PolarHBondContact OD1-NE 2.87Å; D584-R588 VanDerWaalsContact OD1-NE 3.1Å; D584-R588 IonicContact OD1-NH2 3.67Å; D584-R588 PolarHBondContact OD1-NH2 3.27Å; D584-R588 IonicContact OD2-CZ 2.73Å; D584-R588 IonicContact OD2-NE 3.67Å; D584-R588 IonicContact OD2-NH2 3.07Å; D584-R588 PolarHBondContact OD2-NH2 3.1Å; E585-R588 PolarHBondContact O-N 3.1Å; R588-S593 WeakPolarHBondContact CA-O 3.32Å; R588-Q616 PolarHBondContact O-NE2 3.44Å |
| 589 | T | 85.8 | Confident | 86.7 | Confident | 11 Ų | 11 | 51.3 Ų | 51.3 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | trans | -94.6 | 170.9 | 179.8 | 48.3 | 0 | 0 | 0 | 0 | 111.1 | D591 G592 S593 Y596 Q616 | T589-D591 WeakPolarHBondContact CB-OD1 3.14Å; T589-D591 PolarHBondContact O-N 3.23Å; T589-D591 PolarHBondContact OG1-OD1 3.23Å; T589-G592 PolarHBondContact O-N 3.27Å; T589-S593 PolarHBondContact N-O 3.49Å; T589-S593 VanDerWaalsContact OG1-C 3.31Å; T589-S593 PolarHBondContact OG1-N 3.17Å; T589-S593 PolarHBondContact OG1-O 2.95Å; T589-S593 PolarHBondContact OG1-OG 3.16Å; T589-Y596 HydrophobicContact CG2-CD2 3.41Å; T589-Y596 VanDerWaalsContact CG2-CD2 3.41Å; T589-Y596 HydrophobicContact CG2-CE2 3.43Å; T589-Y596 VanDerWaalsContact CG2-CE2 3.43Å; T589-Y596 HydrophobicContact CG2-CG 3.99Å; T589-Q616 HydrophobicContact CG2-CB 3.92Å; T589-Q616 HydrophobicContact CG2-CG 4.06Å | ||
| 590 | S | 81.3 | Confident | 86.7 | Confident | 113 Ų | 113 | 51.7 Ų | 51.7 | 79% | 0.79 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22.9 | -178.7 | 51 | 0 | 0 | 0 | 0 | 114.2 | G592 Y596 | S590-G592 VanDerWaalsContact C-N 3.31Å; S590-Y596 PolarHBondContact OG-OH 3.11Å |
| 591 | D | 80 | Confident | 86.8 | Confident | 78 Ų | 78 | 53.3 Ų | 53.3 | 42% | 0.417 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 5.2 | 174.4 | 69.7 | -18.3 | 0 | 0 | 0 | 112.9 | T589 S593 T688 | T589-D591 WeakPolarHBondContact CB-OD1 3.14Å; T589-D591 PolarHBondContact O-N 3.23Å; T589-D591 PolarHBondContact OG1-OD1 3.23Å; D591-S593 PolarHBondContact O-N 3.25Å; D591-S593 WeakPolarHBondContact OD1-CB 3.04Å; D591-S593 PolarHBondContact OD1-N 3Å; D591-S593 VanDerWaalsContact OD1-N 3.13Å; D591-S593 PolarHBondContact OD1-OG 2.04Å; D591-S593 PolarHBondContact OD2-OG 2.82Å; D591-T688 PolarHBondContact OD2-OG1 3.06Å |
| 592 | G | 82.7 | Confident | 86.8 | Confident | 54 Ų | 54 | 53.3 Ų | 53.3 | 56% | 0.557 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 77.9 | 1.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | T589 S590 | T589-G592 PolarHBondContact O-N 3.27Å; S590-G592 VanDerWaalsContact C-N 3.31Å |
| 593 | S | 88 | Confident | 87 | Confident | 24 Ų | 24 | 52 Ų | 52 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | trans | -78.5 | 167.8 | 174.2 | 73.1 | 0 | 0 | 0 | 0 | 112 | R588 T589 D591 Y596 T688 | R588-S593 WeakPolarHBondContact CA-O 3.32Å; T589-S593 PolarHBondContact N-O 3.49Å; T589-S593 VanDerWaalsContact OG1-C 3.31Å; T589-S593 PolarHBondContact OG1-N 3.17Å; T589-S593 PolarHBondContact OG1-O 2.95Å; T589-S593 PolarHBondContact OG1-OG 3.16Å; D591-S593 PolarHBondContact O-N 3.25Å; D591-S593 WeakPolarHBondContact OD1-CB 3.04Å; D591-S593 PolarHBondContact OD1-N 3Å; D591-S593 VanDerWaalsContact OD1-N 3.13Å; D591-S593 PolarHBondContact OD1-OG 2.04Å; D591-S593 PolarHBondContact OD2-OG 2.82Å; S593-Y596 WeakPolarHBondContact OG-CA 3.45Å; S593-T688 WeakPolarHBondContact OG-CG2 3Å | ||
| 594 | I | 89.4 | Confident | 87.1 | Confident | 71 Ų | 71 | 52 Ų | 52 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | B | Isolated β-bridge | trans | -100.8 | 117.8 | 174.2 | -63 | 178.2 | 0 | 0 | 0 | 107.1 | C587 Y596 G597 C601 | C587-I594 HydrophobicContact CB-CG2 3.95Å; I594-Y596 VanDerWaalsContact C-N 3.25Å; I594-Y596 PolarHBondContact O-N 3.08Å; I594-G597 PolarHBondContact O-N 3.1Å; I594-C601 HydrophobicContact CG2-CB 3.72Å |
| 595 | C | 90 | Very high | 87.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | 52.8 | 37.4 | 177.8 | -48.2 | 0 | 0 | 0 | 0 | 114.3 | C587 G597 R598 C606 Q616 | C587-C595 PolarHBondContact O-N 2.66Å; C595-G597 PolarHBondContact O-N 3Å; C595-R598 PolarHBondContact O-N 3.41Å; C595-C606 WeakPolarHBondContact CA-SG 3.45Å; C595-C606 HydrophobicContact CB-CB 3.69Å; C595-C606 WeakPolarHBondContact CB-SG 3.43Å; C595-C606 WeakPolarHBondContact SG-CA 3.37Å; C595-C606 WeakPolarHBondContact SG-CB 3.04Å; C595-C606 CovalentContact SG-SG 2.02Å; C595-C606 PolarHBondContact SG-SG 3.23Å; C595-Q616 CarbonylContact C-O 3.49Å; C595-Q616 VanDerWaalsContact CA-O 3.29Å; C595-Q616 WeakPolarHBondContact CA-O 3.34Å |
| 596 | Y | 89.8 | Confident | 87.5 | Confident | 27 Ų | 27 | 50.6 Ų | 50.6 | 11% | 0.106 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | 53.4 | 19.4 | -174.5 | -75.1 | -80.9 | 0 | 0 | 0 | 114.6 | T589 S590 S593 I594 R598 Q616 K618 T688 G689 | T589-Y596 HydrophobicContact CG2-CD2 3.41Å; T589-Y596 VanDerWaalsContact CG2-CD2 3.41Å; T589-Y596 HydrophobicContact CG2-CE2 3.43Å; T589-Y596 VanDerWaalsContact CG2-CE2 3.43Å; T589-Y596 HydrophobicContact CG2-CG 3.99Å; S590-Y596 PolarHBondContact OG-OH 3.11Å; S593-Y596 WeakPolarHBondContact OG-CA 3.45Å; I594-Y596 VanDerWaalsContact C-N 3.25Å; I594-Y596 PolarHBondContact O-N 3.08Å; Y596-R598 PolarHBondContact O-N 3.03Å; Y596-Q616 HydrophobicContact CD2-CB 4.09Å; Y596-Q616 WeakPolarHBondContact CD2-O 3.21Å; Y596-Q616 HydrophobicContact CE2-CB 4.03Å; Y596-K618 HydrophobicContact CD2-CB 3.97Å; Y596-K618 HydrophobicContact CD2-CG 4.36Å; Y596-K618 HydrophobicContact CE2-CB 3.85Å; Y596-K618 HydrophobicContact CE2-CD 4.22Å; Y596-K618 HydrophobicContact CE2-CG 4.01Å; Y596-T688 WeakPolarHBondContact O-CG2 2.98Å; Y596-G689 PolarHBondContact O-N 3.28Å |
| 597 | G | 88.8 | Confident | 88 | Confident | 42 Ų | 42 | 54.4 Ų | 54.4 | 43% | 0.433 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | 67.4 | 17 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | I594 C595 | I594-G597 PolarHBondContact O-N 3.1Å; C595-G597 PolarHBondContact O-N 3Å |
| 598 | R | 90.4 | Very high | 88.1 | Confident | 9 Ų | 9 | 56.2 Ų | 56.2 | 3% | 0.034 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -117.1 | 13 | -175.3 | -62.2 | 168 | -169.4 | 170.9 | 8.6 | 112.7 | C595 Y596 K609 C617 K618 Q686 L687 G689 | C595-R598 PolarHBondContact O-N 3.41Å; Y596-R598 PolarHBondContact O-N 3.03Å; R598-K609 PolarHBondContact O-N 2.86Å; R598-C617 HydrophobicContact CB-CB 4.02Å; R598-C617 WeakPolarHBondContact CD-O 3Å; R598-K618 PolarHBondContact NH1-O 2.8Å; R598-Q686 VanDerWaalsContact NH2-CG 3.29Å; R598-L687 PolarHBondContact NH2-O 3.22Å; R598-G689 WeakPolarHBondContact CG-O 3.26Å; R598-G689 PolarHBondContact NE-O 3.03Å |
| 599 | G | 90.6 | Very high | 88 | Confident | 12 Ų | 12 | 55 Ų | 55 | 12% | 0.124 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 175.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K607 | G599-K607 CarbonylContact C-O 3.41Å; G599-K607 WeakPolarHBondContact CA-O 2.93Å |
| 600 | N | 90.4 | Very high | 87.6 | Confident | 76 Ų | 76 | 57.5 Ų | 57.5 | 41% | 0.406 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 143.8 | 171.9 | -65.5 | -8.9 | 0 | 0 | 0 | 109 | K607 K609 | N600-K607 PolarHBondContact N-O 3.25Å; N600-K607 PolarHBondContact O-N 3.17Å; N600-K609 PolarHBondContact OD1-NZ 3.15Å |
| 601 | C | 89.7 | Confident | 87.6 | Confident | 40 Ų | 40 | 54.6 Ų | 54.6 | 27% | 0.27 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 119.6 | 172.1 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | C587 I594 | C587-C601 HydrophobicContact CB-CB 3.5Å; C587-C601 WeakPolarHBondContact CB-SG 2.86Å; C587-C601 VanDerWaalsContact SG-CA 3.57Å; C587-C601 WeakPolarHBondContact SG-CB 3.49Å; C587-C601 CovalentContact SG-SG 2.03Å; C587-C601 PolarHBondContact SG-SG 2.02Å; I594-C601 HydrophobicContact CG2-CB 3.72Å |
| 602 | E | 88 | Confident | 87.9 | Confident | 84 Ų | 84 | 52.2 Ų | 52.2 | 39% | 0.393 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 126.9 | 175.3 | -67.6 | -177.2 | -149.5 | 0 | 0 | 109 | N604 Q605 K607 | E602-N604 VanDerWaalsContact C-N 3.28Å; E602-N604 PolarHBondContact O-N 2.81Å; E602-Q605 PolarHBondContact N-O 2.92Å; E602-Q605 PolarHBondContact O-N 3Å; E602-K607 HydrophobicContact CB-CD 4.23Å; E602-K607 HydrophobicContact CB-CG 4.29Å; E602-K607 HydrophobicContact CG-CD 4.26Å; E602-K607 VanDerWaalsContact OE2-CD 3.32Å; E602-K607 WeakPolarHBondContact OE2-CD 2.96Å; E602-K607 WeakPolarHBondContact OE2-CE 3.47Å; E602-K607 IonicContact OE2-NZ 3.64Å; E602-K607 PolarHBondContact OE2-NZ 3.33Å |
| 603 | C | 87.7 | Confident | 88 | Confident | 59 Ų | 59 | 54.9 Ų | 54.9 | 40% | 0.399 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 42.3 | -177.1 | -54.9 | 0 | 0 | 0 | 0 | 114 | C580 Q605 | C580-C603 HydrophobicContact CB-CB 3.86Å; C580-C603 WeakPolarHBondContact CB-SG 3.45Å; C580-C603 WeakPolarHBondContact SG-CA 3.35Å; C580-C603 WeakPolarHBondContact SG-CB 3.47Å; C580-C603 CovalentContact SG-SG 2.03Å; C580-C603 PolarHBondContact SG-SG 2.04Å; C603-Q605 PolarHBondContact O-N 2.9Å |
| 604 | N | 87.6 | Confident | 87.8 | Confident | 36 Ų | 36 | 56.3 Ų | 56.3 | 19% | 0.193 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 20.9 | -178.8 | -155.1 | 43.7 | 0 | 0 | 0 | 113.9 | K581 S583 D584 E585 G586 E602 | K581-N604 HydrophobicContact CB-CB 4.4Å; S583-N604 VanDerWaalsContact C-OD1 3.31Å; S583-N604 WeakPolarHBondContact O-CA 3.29Å; S583-N604 VanDerWaalsContact O-CB 3.3Å; S583-N604 WeakPolarHBondContact O-CB 3.41Å; S583-N604 PolarHBondContact O-OD1 3.32Å; D584-N604 VanDerWaalsContact C-OD1 3.25Å; E585-N604 PolarHBondContact N-OD1 2.99Å; G586-N604 PolarHBondContact N-OD1 3.35Å; E602-N604 VanDerWaalsContact C-N 3.28Å; E602-N604 PolarHBondContact O-N 2.81Å |
| 605 | Q | 88.6 | Confident | 87.6 | Confident | 137 Ų | 137 | 58.4 Ų | 58.4 | 64% | 0.64 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 146.8 | 176.1 | -62.6 | -177.7 | 8.6 | 0 | 0 | 111.5 | C587 E602 C603 | C587-Q605 PolarHBondContact SG-N 2.87Å; E602-Q605 PolarHBondContact N-O 2.92Å; E602-Q605 PolarHBondContact O-N 3Å; C603-Q605 PolarHBondContact O-N 2.9Å |
| 606 | C | 90.7 | Very high | 87.4 | Confident | 18 Ų | 18 | 61 Ų | 61 | 12% | 0.122 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 119.8 | -178.8 | -71.2 | 0 | 0 | 0 | 0 | 112.8 | C595 P615 | C595-C606 WeakPolarHBondContact CA-SG 3.45Å; C595-C606 HydrophobicContact CB-CB 3.69Å; C595-C606 WeakPolarHBondContact CB-SG 3.43Å; C595-C606 WeakPolarHBondContact SG-CA 3.37Å; C595-C606 WeakPolarHBondContact SG-CB 3.04Å; C595-C606 CovalentContact SG-SG 2.02Å; C595-C606 PolarHBondContact SG-SG 3.23Å; C606-P615 WeakPolarHBondContact CB-O 3.32Å |
| 607 | K | 90.9 | Very high | 87.4 | Confident | 121 Ų | 121 | 59.7 Ų | 59.7 | 53% | 0.526 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 103.5 | 164.8 | -69 | -161.6 | -176.6 | 172.9 | 0 | 110.5 | G599 N600 E602 | G599-K607 CarbonylContact C-O 3.41Å; G599-K607 WeakPolarHBondContact CA-O 2.93Å; N600-K607 PolarHBondContact N-O 3.25Å; N600-K607 PolarHBondContact O-N 3.17Å; E602-K607 HydrophobicContact CB-CD 4.23Å; E602-K607 HydrophobicContact CB-CG 4.29Å; E602-K607 HydrophobicContact CG-CD 4.26Å; E602-K607 VanDerWaalsContact OE2-CD 3.32Å; E602-K607 WeakPolarHBondContact OE2-CD 2.96Å; E602-K607 WeakPolarHBondContact OE2-CE 3.47Å; E602-K607 IonicContact OE2-NZ 3.64Å; E602-K607 PolarHBondContact OE2-NZ 3.33Å |
| 608 | C | 90.9 | Very high | 87.3 | Confident | 38 Ų | 38 | 63 Ų | 63 | 26% | 0.257 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 142.6 | -175.6 | -53.3 | 0 | 0 | 0 | 0 | 112.9 | Y612 C617 | C608-Y612 WeakPolarHBondContact CB-O 3.44Å; C608-C617 WeakPolarHBondContact CA-SG 3.33Å; C608-C617 HydrophobicContact CB-CB 3.72Å; C608-C617 WeakPolarHBondContact CB-SG 3Å; C608-C617 WeakPolarHBondContact SG-CA 3.12Å; C608-C617 WeakPolarHBondContact SG-CB 3.33Å; C608-C617 CovalentContact SG-SG 2.03Å; C608-C617 PolarHBondContact SG-SG 3.27Å |
| 609 | K | 86.6 | Confident | 87 | Confident | 106 Ų | 106 | 67.5 Ų | 67.5 | 46% | 0.461 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -102 | 151 | 176.7 | -68.1 | 174 | 179.1 | 164.8 | 0 | 110.1 | R598 N600 G611 Y612 | R598-K609 PolarHBondContact O-N 2.86Å; N600-K609 PolarHBondContact OD1-NZ 3.15Å; K609-G611 PolarHBondContact O-N 3.07Å; K609-Y612 WeakPolarHBondContact O-CD2 3.01Å |
| 610 | G | 77.9 | Confident | 86.7 | Confident | 63 Ų | 63 | 68.3 Ų | 68.3 | 65% | 0.649 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 28.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | C623 | G610-C623 PolarHBondContact O-SG 2.76Å; G610-C623 VanDerWaalsContact O-SG 3.35Å |
| 611 | G | 80.6 | Confident | 86.3 | Confident | 51 Ų | 51 | 69.4 Ų | 69.4 | 53% | 0.526 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | 0.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | K609 C620 | K609-G611 PolarHBondContact O-N 3.07Å; G611-C620 PolarHBondContact O-SG 3.1Å |
| 612 | Y | 86.6 | Confident | 85.6 | Confident | 29 Ų | 29 | 70.9 Ų | 70.9 | 11% | 0.114 | 43% | 0.429 | C | S | . | . | trans | -67.3 | 147.3 | 174.2 | -70.8 | -100.2 | 0 | 0 | 0 | 111.3 | C608 K609 C617 D619 C620 Q686 | C608-Y612 WeakPolarHBondContact CB-O 3.44Å; K609-Y612 WeakPolarHBondContact O-CD2 3.01Å; Y612-C617 WeakPolarHBondContact CD1-O 3.22Å; Y612-D619 WeakPolarHBondContact CA-O 3.33Å; Y612-C620 HydrophobicContact CD1-CB 3.81Å; Y612-C620 HydrophobicContact CD2-CB 4.16Å; Y612-C620 HydrophobicContact CE1-CB 3.95Å; Y612-C620 HydrophobicContact CE2-CB 4.33Å; Y612-C620 HydrophobicContact CG-CB 3.92Å; Y612-Q686 PolarHBondContact OH-NE2 2.79Å | ||
| 613 | Q | 85.5 | Confident | 85.3 | Confident | 109 Ų | 109 | 69.1 Ų | 69.1 | 51% | 0.509 | 43% | 0.425 | S | S | . | . | trans | -105.1 | 149 | -173.8 | -63.2 | -176.6 | -14.7 | 0 | 0 | 112.3 | C617 D619 | Q613-C617 WeakPolarHBondContact O-CA 3.5Å; Q613-C617 PolarHBondContact O-N 3.12Å; Q613-C617 VanDerWaalsContact O-N 3.15Å; Q613-D619 PolarHBondContact N-O 2.66Å | ||
| 614 | G | 84.2 | Confident | 85 | Confident | 55 Ų | 55 | 71.2 Ų | 71.2 | 57% | 0.567 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 166.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 615 | P | 83.3 | Confident | 84.9 | Confident | 114 Ų | 114 | 72.3 Ų | 72.3 | 74% | 0.74 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -87.4 | -14.1 | 13.3 | 31.3 | -34.8 | 0 | 0 | 0 | 115.2 | C606 | C606-P615 WeakPolarHBondContact CB-O 3.32Š|
| 616 | Q | 87.6 | Confident | 84.7 | Confident | 54 Ų | 54 | 67 Ų | 67 | 25% | 0.252 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | 6 | -172.9 | -72.5 | -179.2 | -24.2 | 0 | 0 | 114.5 | R588 T589 C595 Y596 | R588-Q616 PolarHBondContact O-NE2 3.44Å; T589-Q616 HydrophobicContact CG2-CB 3.92Å; T589-Q616 HydrophobicContact CG2-CG 4.06Å; C595-Q616 CarbonylContact C-O 3.49Å; C595-Q616 VanDerWaalsContact CA-O 3.29Å; C595-Q616 WeakPolarHBondContact CA-O 3.34Å; Y596-Q616 HydrophobicContact CD2-CB 4.09Å; Y596-Q616 WeakPolarHBondContact CD2-O 3.21Å; Y596-Q616 HydrophobicContact CE2-CB 4.03Å |
| 617 | C | 89 | Confident | 84.6 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 32.4 | -178.2 | -42.2 | 0 | 0 | 0 | 0 | 114.3 | R598 C608 Y612 Q613 | R598-C617 HydrophobicContact CB-CB 4.02Å; R598-C617 WeakPolarHBondContact CD-O 3Å; C608-C617 WeakPolarHBondContact CA-SG 3.33Å; C608-C617 HydrophobicContact CB-CB 3.72Å; C608-C617 WeakPolarHBondContact CB-SG 3Å; C608-C617 WeakPolarHBondContact SG-CA 3.12Å; C608-C617 WeakPolarHBondContact SG-CB 3.33Å; C608-C617 CovalentContact SG-SG 2.03Å; C608-C617 PolarHBondContact SG-SG 3.27Å; Y612-C617 WeakPolarHBondContact CD1-O 3.22Å; Q613-C617 WeakPolarHBondContact O-CA 3.5Å; Q613-C617 PolarHBondContact O-N 3.12Å; Q613-C617 VanDerWaalsContact O-N 3.15Å |
| 618 | K | 87 | Confident | 84.4 | Confident | 112 Ų | 112 | 66.5 Ų | 66.5 | 49% | 0.487 | 43% | 0.431 | S | S | . | . | trans | -76.3 | -46.1 | -177.9 | -170.9 | 179.8 | 176.6 | 180 | 0 | 112.8 | Y596 R598 | Y596-K618 HydrophobicContact CD2-CB 3.97Å; Y596-K618 HydrophobicContact CD2-CG 4.36Å; Y596-K618 HydrophobicContact CE2-CB 3.85Å; Y596-K618 HydrophobicContact CE2-CD 4.22Å; Y596-K618 HydrophobicContact CE2-CG 4.01Å; R598-K618 PolarHBondContact NH1-O 2.8Å | ||
| 619 | D | 83.4 | Confident | 84.2 | Confident | 103 Ų | 103 | 68.1 Ų | 68.1 | 55% | 0.551 | 44% | 0.44 | S | S | * | . | trans | -119.1 | 147.1 | -170.3 | -58.5 | -52.6 | 0 | 0 | 0 | 111.8 | Y612 Q613 | Y612-D619 WeakPolarHBondContact CA-O 3.33Å; Q613-D619 PolarHBondContact N-O 2.66Å | ||
| 620 | C | 85.1 | Confident | 84.4 | Confident | 29 Ų | 29 | 63.7 Ų | 63.7 | 20% | 0.196 | 42% | 0.42 | C | S | . | . | trans | -129.5 | 97 | 175.5 | -176.6 | 0 | 0 | 0 | 0 | 111 | G611 Y612 G622 C623 | G611-C620 PolarHBondContact O-SG 3.1Å; Y612-C620 HydrophobicContact CD1-CB 3.81Å; Y612-C620 HydrophobicContact CD2-CB 4.16Å; Y612-C620 HydrophobicContact CE1-CB 3.95Å; Y612-C620 HydrophobicContact CE2-CB 4.33Å; Y612-C620 HydrophobicContact CG-CB 3.92Å; C620-G622 VanDerWaalsContact C-N 3.32Å; C620-G622 PolarHBondContact O-N 3.4Å; C620-C623 HydrophobicContact CB-CB 3.83Å; C620-C623 WeakPolarHBondContact CB-SG 3.39Å; C620-C623 WeakPolarHBondContact SG-CB 3.33Å; C620-C623 PolarHBondContact SG-N 2.87Å; C620-C623 CovalentContact SG-SG 2.03Å; C620-C623 PolarHBondContact SG-SG 3.07Å | ||
| 621 | S | 80.5 | Confident | 84.9 | Confident | 100 Ų | 100 | 62.4 Ų | 62.4 | 70% | 0.699 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -22.6 | -178.3 | -55.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 622 | G | 75.4 | Confident | 85.2 | Confident | 71 Ų | 71 | 63.4 Ų | 63.4 | 73% | 0.732 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 0.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | C620 | C620-G622 VanDerWaalsContact C-N 3.32Å; C620-G622 PolarHBondContact O-N 3.4Å |
| 623 | C | 82.6 | Confident | 85.3 | Confident | 46 Ų | 46 | 62.1 Ų | 62.1 | 31% | 0.311 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -77.3 | 148.3 | -179.5 | -72.2 | 0 | 0 | 0 | 0 | 111.4 | G610 C620 | G610-C623 PolarHBondContact O-SG 2.76Å; G610-C623 VanDerWaalsContact O-SG 3.35Å; C620-C623 HydrophobicContact CB-CB 3.83Å; C620-C623 WeakPolarHBondContact CB-SG 3.39Å; C620-C623 WeakPolarHBondContact SG-CB 3.33Å; C620-C623 PolarHBondContact SG-N 2.87Å; C620-C623 CovalentContact SG-SG 2.03Å; C620-C623 PolarHBondContact SG-SG 3.07Å |
| 624 | P | 80.7 | Confident | 85.5 | Confident | 103 Ų | 103 | 57 Ų | 57 | 67% | 0.669 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 141.7 | 171 | -25.4 | 34.1 | 0 | 0 | 0 | 111.9 | A626 T629 | P624-A626 PolarHBondContact O-N 2.77Å; P624-T629 HydrophobicContact CB-CG2 3.99Å |
| 625 | S | 84.9 | Confident | 85.6 | Confident | 60 Ų | 60 | 55 Ų | 55 | 42% | 0.42 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 122.4 | -177 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | C627 L628 T629 | S625-C627 PolarHBondContact O-N 3.28Å; S625-C627 VanDerWaalsContact O-N 3.11Å; S625-C627 WeakPolarHBondContact OG-CB 3.46Å; S625-C627 PolarHBondContact OG-N 2.63Å; S625-L628 PolarHBondContact O-N 2.98Å; S625-T629 PolarHBondContact O-N 3.43Å; S625-T629 VanDerWaalsContact O-N 3.13Å |
| 626 | A | 86.2 | Confident | 85.8 | Confident | 25 Ų | 25 | 50.8 Ų | 50.8 | 21% | 0.207 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.4 | -28.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P624 L628 T629 K630 L684 Y693 | P624-A626 PolarHBondContact O-N 2.77Å; A626-L628 VanDerWaalsContact C-N 3.28Å; A626-L628 PolarHBondContact O-N 3.19Å; A626-T629 WeakPolarHBondContact CA-OG1 3.19Å; A626-T629 PolarHBondContact O-OG1 2.62Å; A626-K630 WeakPolarHBondContact O-CB 3.01Å; A626-K630 WeakPolarHBondContact O-CG 3.34Å; A626-K630 PolarHBondContact O-N 2.86Å; A626-L684 HydrophobicContact CB-CD1 3.9Å; A626-Y693 HydrophobicContact CB-CE1 4.01Å |
| 627 | C | 88.1 | Confident | 85.8 | Confident | 21 Ų | 21 | 48.3 Ų | 48.3 | 14% | 0.142 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.1 | -35.7 | 174.4 | -61.7 | 0 | 0 | 0 | 0 | 112.8 | S625 C670 F682 | S625-C627 PolarHBondContact O-N 3.28Å; S625-C627 VanDerWaalsContact O-N 3.11Å; S625-C627 WeakPolarHBondContact OG-CB 3.46Å; S625-C627 PolarHBondContact OG-N 2.63Å; C627-C670 VanDerWaalsContact CA-SG 3.51Å; C627-C670 HydrophobicContact CB-CB 3.58Å; C627-C670 WeakPolarHBondContact CB-SG 3.45Å; C627-C670 WeakPolarHBondContact SG-CB 3.44Å; C627-C670 CovalentContact SG-SG 2.03Å; C627-C670 PolarHBondContact SG-SG 3.19Å; C627-F682 WeakPolarHBondContact O-CZ 2.94Å |
| 628 | L | 86.9 | Confident | 85.6 | Confident | 107 Ų | 107 | 49 Ų | 49 | 56% | 0.56 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -85.9 | -44.2 | -179.3 | -68.7 | 171.9 | 0 | 0 | 0 | 110.8 | S625 A626 K630 L631 | S625-L628 PolarHBondContact O-N 2.98Å; A626-L628 VanDerWaalsContact C-N 3.28Å; A626-L628 PolarHBondContact O-N 3.19Å; L628-K630 VanDerWaalsContact C-N 3.31Å; L628-K630 PolarHBondContact O-N 2.99Å; L628-L631 WeakPolarHBondContact O-CB 3.02Å; L628-L631 PolarHBondContact O-N 2.03Å |
| 629 | T | 86.8 | Confident | 85.3 | Confident | 72 Ų | 72 | 47.2 Ų | 47.2 | 44% | 0.442 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69 | -29.6 | -176.1 | 59.7 | 0 | 0 | 0 | 0 | 112.9 | P624 S625 A626 | P624-T629 HydrophobicContact CB-CG2 3.99Å; S625-T629 PolarHBondContact O-N 3.43Å; S625-T629 VanDerWaalsContact O-N 3.13Å; A626-T629 WeakPolarHBondContact CA-OG1 3.19Å; A626-T629 PolarHBondContact O-OG1 2.62Å |
| 630 | K | 89.6 | Confident | 85 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 6% | 0.057 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 4.4 | 179.3 | -52 | -54.2 | 177 | -170.9 | 0 | 114 | A626 L628 S632 C633 I634 L684 D691 | A626-K630 WeakPolarHBondContact O-CB 3.01Å; A626-K630 WeakPolarHBondContact O-CG 3.34Å; A626-K630 PolarHBondContact O-N 2.86Å; L628-K630 VanDerWaalsContact C-N 3.31Å; L628-K630 PolarHBondContact O-N 2.99Å; K630-S632 PolarHBondContact O-N 2.57Å; K630-C633 PolarHBondContact O-N 2.79Å; K630-I634 WeakPolarHBondContact O-CG1 3.35Å; K630-I634 PolarHBondContact O-N 3.28Å; K630-L684 HydrophobicContact CB-CD1 4.14Å; K630-L684 HydrophobicContact CG-CD1 4.14Å; K630-D691 WeakPolarHBondContact CE-OD1 2.9Å; K630-D691 IonicContact NZ-OD1 2.71Å; K630-D691 PolarHBondContact NZ-OD1 2.79Å; K630-D691 IonicContact NZ-OD2 3.8Å; K630-D691 PolarHBondContact NZ-OD2 3.29Å |
| 631 | L | 88.1 | Confident | 84.1 | Confident | 37 Ų | 37 | 52.2 Ų | 52.2 | 19% | 0.194 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.7 | -44.3 | -175.8 | 179.4 | 56.2 | 0 | 0 | 0 | 113.1 | L628 C633 I634 S635 Q672 F682 | L628-L631 WeakPolarHBondContact O-CB 3.02Å; L628-L631 PolarHBondContact O-N 2.03Å; L631-C633 PolarHBondContact O-N 2.93Å; L631-I634 PolarHBondContact O-N 2.02Å; L631-S635 VanDerWaalsContact O-CB 3.29Å; L631-S635 WeakPolarHBondContact O-CB 3.42Å; L631-S635 PolarHBondContact O-N 3.15Å; L631-Q672 HydrophobicContact CD1-CB 3.42Å; L631-Q672 VanDerWaalsContact CD1-CB 3.42Å; L631-Q672 HydrophobicContact CD1-CG 4.06Å; L631-Q672 HydrophobicContact CD2-CB 3.97Å; L631-Q672 HydrophobicContact CD2-CG 4.31Å; L631-Q672 HydrophobicContact CG-CB 4.32Å; L631-F682 HydrophobicContact CD1-CE1 4.29Å |
| 632 | S | 87.1 | Confident | 83.3 | Confident | 72 Ų | 72 | 49.1 Ų | 49.1 | 50% | 0.503 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | -180 | 53.3 | 0 | 0 | 0 | 0 | 112.3 | K630 C636 | K630-S632 PolarHBondContact O-N 2.57Å; S632-C636 PolarHBondContact O-N 3.1Å; S632-C636 VanDerWaalsContact O-N 3.09Å |
| 633 | C | 88.8 | Confident | 82.9 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65 | -46.9 | 175.7 | 172 | 0 | 0 | 0 | 0 | 111.6 | K630 L631 S635 C636 L637 C650 I654 | K630-C633 PolarHBondContact O-N 2.79Å; L631-C633 PolarHBondContact O-N 2.93Å; C633-S635 PolarHBondContact O-N 3.26Å; C633-C636 WeakPolarHBondContact O-CB 3.39Å; C633-C636 PolarHBondContact O-N 3.17Å; C633-L637 VanDerWaalsContact O-CG 3.31Å; C633-L637 WeakPolarHBondContact O-CG 3.01Å; C633-L637 PolarHBondContact O-N 3.46Å; C633-C650 VanDerWaalsContact CA-SG 3.59Å; C633-C650 HydrophobicContact CB-CB 3.93Å; C633-C650 WeakPolarHBondContact CB-SG 3.32Å; C633-C650 VanDerWaalsContact SG-CA 3.53Å; C633-C650 WeakPolarHBondContact SG-CB 3.47Å; C633-C650 CovalentContact SG-SG 2.02Å; C633-C650 PolarHBondContact SG-SG 2.91Å; C633-I654 HydrophobicContact CB-CD1 4.41Å; C633-I654 WeakPolarHBondContact SG-CD1 3.36Å |
| 634 | I | 89.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 179 | -67.9 | -67.8 | 0 | 0 | 0 | 111.9 | K630 L631 L637 S638 I654 I680 F682 L684 A695 I697 | K630-I634 WeakPolarHBondContact O-CG1 3.35Å; K630-I634 PolarHBondContact O-N 3.28Å; L631-I634 PolarHBondContact O-N 2.02Å; I634-L637 PolarHBondContact O-N 2.02Å; I634-S638 VanDerWaalsContact O-CB 3.26Å; I634-S638 WeakPolarHBondContact O-CB 2.94Å; I634-S638 PolarHBondContact O-N 3.07Å; I634-I654 HydrophobicContact CD1-CD1 3.51Å; I634-I654 HydrophobicContact CG1-CD1 4.07Å; I634-I680 HydrophobicContact CG2-CG2 4.29Å; I634-F682 HydrophobicContact CB-CE1 4.45Å; I634-F682 HydrophobicContact CB-CE2 4.46Å; I634-F682 HydrophobicContact CB-CZ 4.42Å; I634-F682 HydrophobicContact CD1-CD2 4.12Å; I634-F682 HydrophobicContact CG1-CD2 3.87Å; I634-F682 HydrophobicContact CG1-CE2 3.83Å; I634-F682 HydrophobicContact CG1-CG 4.32Å; I634-F682 HydrophobicContact CG1-CZ 4.23Å; I634-F682 HydrophobicContact CG2-CB 4.06Å; I634-F682 HydrophobicContact CG2-CD1 3.6Å; I634-F682 HydrophobicContact CG2-CD2 4.11Å; I634-F682 HydrophobicContact CG2-CE1 3.95Å; I634-F682 HydrophobicContact CG2-CE2 4.43Å; I634-F682 HydrophobicContact CG2-CG 3.67Å; I634-F682 HydrophobicContact CG2-CZ 4.34Å; I634-L684 HydrophobicContact CD1-CD2 4.13Å; I634-A695 HydrophobicContact CD1-CB 3.64Å; I634-I697 HydrophobicContact CD1-CD1 3.85Å; I634-I697 HydrophobicContact CD1-CG1 4.01Å; I634-I697 HydrophobicContact CG2-CD1 3.97Å; I634-I697 HydrophobicContact CG2-CG1 4.02Å |
| 635 | S | 87.5 | Confident | 82.2 | Confident | 14 Ų | 14 | 54.2 Ų | 54.2 | 10% | 0.098 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 175 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | L631 C633 L637 S638 L639 | L631-S635 VanDerWaalsContact O-CB 3.29Å; L631-S635 WeakPolarHBondContact O-CB 3.42Å; L631-S635 PolarHBondContact O-N 3.15Å; C633-S635 PolarHBondContact O-N 3.26Å; S635-L637 PolarHBondContact O-N 2.03Å; S635-S638 PolarHBondContact O-N 3.12Å; S635-L639 WeakPolarHBondContact O-CG 3.48Å; S635-L639 PolarHBondContact O-N 3.34Å; S635-L639 VanDerWaalsContact O-N 3.12Å |
| 636 | C | 87.1 | Confident | 82 | Confident | 26 Ų | 26 | 51.4 Ų | 51.4 | 18% | 0.176 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 174.6 | -171 | 0 | 0 | 0 | 0 | 112.2 | S632 C633 S638 L639 S640 C646 V649 | S632-C636 PolarHBondContact O-N 3.1Å; S632-C636 VanDerWaalsContact O-N 3.09Å; C633-C636 WeakPolarHBondContact O-CB 3.39Å; C633-C636 PolarHBondContact O-N 3.17Å; C636-S638 VanDerWaalsContact C-N 3.31Å; C636-S638 PolarHBondContact O-N 2.91Å; C636-L639 PolarHBondContact O-N 3.1Å; C636-S640 WeakPolarHBondContact O-CB 3.06Å; C636-S640 PolarHBondContact O-N 2.84Å; C636-S640 PolarHBondContact O-OG 2.77Å; C636-C646 HydrophobicContact CB-CB 3.88Å; C636-C646 WeakPolarHBondContact CB-SG 3.25Å; C636-C646 PolarHBondContact O-SG 3.39Å; C636-C646 VanDerWaalsContact SG-CA 3.57Å; C636-C646 WeakPolarHBondContact SG-CB 3.2Å; C636-C646 CovalentContact SG-SG 2.04Å; C636-C646 PolarHBondContact SG-SG 3.04Å; C636-V649 HydrophobicContact CB-CG1 4.32Å |
| 637 | L | 87.1 | Confident | 81.7 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.7 | -30.2 | 179.9 | -67.7 | 175.6 | 0 | 0 | 0 | 112.7 | C633 I634 S635 K643 C646 I654 Y657 K659 I697 | C633-L637 VanDerWaalsContact O-CG 3.31Å; C633-L637 WeakPolarHBondContact O-CG 3.01Å; C633-L637 PolarHBondContact O-N 3.46Å; I634-L637 PolarHBondContact O-N 2.02Å; S635-L637 PolarHBondContact O-N 2.03Å; L637-K643 HydrophobicContact CD2-CG 4.33Å; L637-C646 HydrophobicContact CD2-CB 3.79Å; L637-C646 HydrophobicContact CG-CB 4.35Å; L637-I654 HydrophobicContact CD1-CD1 4.08Å; L637-I654 HydrophobicContact CD1-CG2 4.45Å; L637-Y657 HydrophobicContact CB-CD2 4.22Å; L637-Y657 HydrophobicContact CB-CE2 4.19Å; L637-Y657 HydrophobicContact CD1-CD1 4.19Å; L637-Y657 HydrophobicContact CD1-CD2 4.43Å; L637-Y657 HydrophobicContact CD1-CG 4.04Å; L637-Y657 HydrophobicContact CD2-CD1 4.1Å; L637-Y657 HydrophobicContact CD2-CE1 3.82Å; L637-Y657 HydrophobicContact CD2-CE2 4.38Å; L637-K659 WeakPolarHBondContact O-CE 3.03Å; L637-K659 PolarHBondContact O-NZ 2.94Å; L637-K659 VanDerWaalsContact O-NZ 3.1Å; L637-I697 HydrophobicContact CB-CD1 3.91Å |
| 638 | S | 84.9 | Confident | 81.3 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 11% | 0.105 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.6 | -42.1 | 175.7 | -169.2 | 0 | 0 | 0 | 0 | 111.6 | I634 S635 C636 K659 | I634-S638 VanDerWaalsContact O-CB 3.26Å; I634-S638 WeakPolarHBondContact O-CB 2.94Å; I634-S638 PolarHBondContact O-N 3.07Å; S635-S638 PolarHBondContact O-N 3.12Å; C636-S638 VanDerWaalsContact C-N 3.31Å; C636-S638 PolarHBondContact O-N 2.91Å; S638-K659 PolarHBondContact O-NZ 3.13Å |
| 639 | L | 80.9 | Confident | 81.1 | Confident | 75 Ų | 75 | 57.6 Ų | 57.6 | 39% | 0.393 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -78 | -36.9 | 179.2 | -70.7 | 169.1 | 0 | 0 | 0 | 113.2 | S635 C636 R701 | S635-L639 WeakPolarHBondContact O-CG 3.48Å; S635-L639 PolarHBondContact O-N 3.34Å; S635-L639 VanDerWaalsContact O-N 3.12Å; C636-L639 PolarHBondContact O-N 3.1Å; L639-R701 VanDerWaalsContact CD2-NH1 3.29Å |
| 640 | S | 77.8 | Confident | 80.9 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | trans | -84.2 | 156 | -175.4 | -62 | 0 | 0 | 0 | 0 | 113 | C636 C646 K659 | C636-S640 WeakPolarHBondContact O-CB 3.06Å; C636-S640 PolarHBondContact O-N 2.84Å; C636-S640 PolarHBondContact O-OG 2.77Å; S640-C646 PolarHBondContact OG-SG 3.29Å; S640-K659 PolarHBondContact O-NZ 2.96Å | ||
| 641 | K | 65.4 | Low | 80.6 | Confident | 211 Ų | 211 | 59.6 Ų | 59.6 | 92% | 0.917 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -88.5 | -20.2 | 175.5 | -68 | -173.8 | -179.8 | -179.3 | 0 | 114 | ||
| 642 | S | 65.1 | Low | 80 | Confident | 34 Ų | 34 | 63.2 Ų | 63.2 | 24% | 0.238 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -133.1 | 150.7 | 179.6 | 176.7 | 0 | 0 | 0 | 0 | 112.1 | E644 | S642-E644 PolarHBondContact O-N 3.13Å; S642-E644 VanDerWaalsContact OG-CD 3.28Å; S642-E644 PolarHBondContact OG-N 3.37Å; S642-E644 PolarHBondContact OG-OE2 2.04Å |
| 643 | K | 66.8 | Low | 79.8 | Confident | 60 Ų | 60 | 61 Ų | 61 | 26% | 0.261 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -58.2 | -34.2 | 170.8 | -159.4 | 173.3 | 164.8 | 178.3 | 0 | 112.1 | L637 N645 C646 I647 I654 S655 Y657 | L637-K643 HydrophobicContact CD2-CG 4.33Å; K643-N645 VanDerWaalsContact C-N 3.29Å; K643-N645 PolarHBondContact O-N 2.62Å; K643-C646 CarbonylContact O-C 3.14Å; K643-C646 PolarHBondContact O-N 3.01Å; K643-I647 PolarHBondContact O-N 3.09Å; K643-I654 WeakPolarHBondContact CE-O 3.47Å; K643-I654 PolarHBondContact NZ-O 2.93Å; K643-S655 PolarHBondContact NZ-O 3.14Å; K643-Y657 HydrophobicContact CB-CE1 3.83Å; K643-Y657 HydrophobicContact CG-CD1 4.46Å; K643-Y657 HydrophobicContact CG-CE1 4.16Å; K643-Y657 PolarHBondContact N-OH 3.18Å |
| 644 | E | 71.6 | Confident | 79.7 | Confident | 139 Ų | 139 | 60.9 Ų | 60.9 | 65% | 0.65 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -60.6 | -37.2 | -171.3 | -70.1 | 132.5 | 179.2 | 0 | 0 | 112.8 | S642 C646 I647 | S642-E644 PolarHBondContact O-N 3.13Å; S642-E644 VanDerWaalsContact OG-CD 3.28Å; S642-E644 PolarHBondContact OG-N 3.37Å; S642-E644 PolarHBondContact OG-OE2 2.04Å; E644-C646 PolarHBondContact O-N 3.09Å; E644-I647 HydrophobicContact CB-CD1 4.34Å; E644-I647 HydrophobicContact CG-CD1 4.37Å |
| 645 | N | 75.8 | Confident | 79.4 | Confident | 129 Ų | 129 | 63.5 Ų | 63.5 | 69% | 0.69 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -70.2 | -18.1 | 178.2 | -70.4 | -6 | 0 | 0 | 0 | 113.1 | K643 | K643-N645 VanDerWaalsContact C-N 3.29Å; K643-N645 PolarHBondContact O-N 2.62Å |
| 646 | C | 81.6 | Confident | 79.2 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -111.4 | 5.1 | -176 | -63.8 | 0 | 0 | 0 | 0 | 113.6 | C636 L637 S640 K643 E644 N648 V649 C650 | C636-C646 HydrophobicContact CB-CB 3.88Å; C636-C646 WeakPolarHBondContact CB-SG 3.25Å; C636-C646 PolarHBondContact O-SG 3.39Å; C636-C646 VanDerWaalsContact SG-CA 3.57Å; C636-C646 WeakPolarHBondContact SG-CB 3.2Å; C636-C646 CovalentContact SG-SG 2.04Å; C636-C646 PolarHBondContact SG-SG 3.04Å; L637-C646 HydrophobicContact CD2-CB 3.79Å; L637-C646 HydrophobicContact CG-CB 4.35Å; S640-C646 PolarHBondContact OG-SG 3.29Å; K643-C646 CarbonylContact O-C 3.14Å; K643-C646 PolarHBondContact O-N 3.01Å; E644-C646 PolarHBondContact O-N 3.09Å; C646-N648 VanDerWaalsContact C-N 3.32Å; C646-N648 PolarHBondContact O-N 3.15Å; C646-V649 PolarHBondContact O-N 3.28Å; C646-C650 WeakPolarHBondContact O-CB 3.38Å; C646-C650 PolarHBondContact O-N 3.02Å; C646-C650 PolarHBondContact O-SG 3.02Å; C646-C650 VanDerWaalsContact O-SG 3.36Å |
| 647 | I | 80.1 | Confident | 79.3 | Confident | 69 Ų | 69 | 68.3 Ų | 68.3 | 35% | 0.354 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -54.5 | -47.5 | -176.4 | -69.8 | 172.5 | 0 | 0 | 0 | 111.4 | K643 E644 V649 C650 N651 | K643-I647 PolarHBondContact O-N 3.09Å; E644-I647 HydrophobicContact CB-CD1 4.34Å; E644-I647 HydrophobicContact CG-CD1 4.37Å; I647-V649 PolarHBondContact O-N 3.27Å; I647-C650 PolarHBondContact O-N 3.46Å; I647-N651 PolarHBondContact O-N 3.43Å |
| 648 | N | 79.6 | Confident | 79.4 | Confident | 147 Ų | 147 | 73.6 Ų | 73.6 | 79% | 0.786 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -67.4 | -23.6 | -178.3 | -65.1 | -17.1 | 0 | 0 | 0 | 113.4 | C646 N651 | C646-N648 VanDerWaalsContact C-N 3.32Å; C646-N648 PolarHBondContact O-N 3.15Å; N648-N651 PolarHBondContact O-OD1 2.77Å |
| 649 | V | 82.6 | Confident | 79.5 | Confident | 67 Ų | 67 | 76.9 Ų | 76.9 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -86.6 | -34.3 | 178 | 180 | 0 | 0 | 0 | 0 | 110.2 | C636 C646 I647 | C636-V649 HydrophobicContact CB-CG1 4.32Å; C646-V649 PolarHBondContact O-N 3.28Å; I647-V649 PolarHBondContact O-N 3.27Å |
| 650 | C | 82.8 | Confident | 79.9 | Confident | 4 Ų | 4 | 74.2 Ų | 74.2 | 3% | 0.027 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -87.6 | -17 | -175.8 | -68.1 | 0 | 0 | 0 | 0 | 114.1 | C633 C646 I647 N652 T653 | C633-C650 VanDerWaalsContact CA-SG 3.59Å; C633-C650 HydrophobicContact CB-CB 3.93Å; C633-C650 WeakPolarHBondContact CB-SG 3.32Å; C633-C650 VanDerWaalsContact SG-CA 3.53Å; C633-C650 WeakPolarHBondContact SG-CB 3.47Å; C633-C650 CovalentContact SG-SG 2.02Å; C633-C650 PolarHBondContact SG-SG 2.91Å; C646-C650 WeakPolarHBondContact O-CB 3.38Å; C646-C650 PolarHBondContact O-N 3.02Å; C646-C650 PolarHBondContact O-SG 3.02Å; C646-C650 VanDerWaalsContact O-SG 3.36Å; I647-C650 PolarHBondContact O-N 3.46Å; C650-N652 PolarHBondContact O-N 2.9Å; C650-T653 WeakPolarHBondContact O-CB 3.27Å; C650-T653 PolarHBondContact O-N 2.71Å; C650-T653 PolarHBondContact O-OG1 3Å |
| 651 | N | 81.6 | Confident | 80.3 | Confident | 124 Ų | 124 | 81.4 Ų | 81.4 | 66% | 0.663 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 36 | -179.1 | -74.2 | -13.7 | 0 | 0 | 0 | 113.5 | I647 N648 T653 | I647-N651 PolarHBondContact O-N 3.43Å; N648-N651 PolarHBondContact O-OD1 2.77Å; N651-T653 HydrophobicContact CB-CG2 4.44Å; N651-T653 PolarHBondContact O-N 2.88Å; N651-T653 VanDerWaalsContact O-N 3.08Å |
| 652 | N | 76.2 | Confident | 81.4 | Confident | 113 Ų | 113 | 79.3 Ų | 79.3 | 60% | 0.604 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 17.8 | -174.5 | -62.1 | -27.8 | 0 | 0 | 0 | 116.2 | C650 I654 | C650-N652 PolarHBondContact O-N 2.9Å; N652-I654 VanDerWaalsContact C-N 3.27Å; N652-I654 PolarHBondContact O-N 2.84Å |
| 653 | T | 83.9 | Confident | 82.5 | Confident | 24 Ų | 24 | 79.1 Ų | 79.1 | 15% | 0.147 | 39% | 0.393 | C | S | . | . | trans | -75.8 | -14.7 | 178.6 | 62.5 | 0 | 0 | 0 | 0 | 113.6 | C650 N651 D691 Y693 | C650-T653 WeakPolarHBondContact O-CB 3.27Å; C650-T653 PolarHBondContact O-N 2.71Å; C650-T653 PolarHBondContact O-OG1 3Å; N651-T653 HydrophobicContact CB-CG2 4.44Å; N651-T653 PolarHBondContact O-N 2.88Å; N651-T653 VanDerWaalsContact O-N 3.08Å; T653-D691 WeakPolarHBondContact CB-O 3.37Å; T653-Y693 PolarHBondContact O-N 2.93Å | ||
| 654 | I | 86.5 | Confident | 83.3 | Confident | 1 Ų | 1 | 82 Ų | 82 | 1% | 0.005 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 110.9 | 171.6 | -56.8 | -170 | 0 | 0 | 0 | 109.1 | C633 I634 L637 K643 N652 E656 Y693 A695 | C633-I654 HydrophobicContact CB-CD1 4.41Å; C633-I654 WeakPolarHBondContact SG-CD1 3.36Å; I634-I654 HydrophobicContact CD1-CD1 3.51Å; I634-I654 HydrophobicContact CG1-CD1 4.07Å; L637-I654 HydrophobicContact CD1-CD1 4.08Å; L637-I654 HydrophobicContact CD1-CG2 4.45Å; K643-I654 WeakPolarHBondContact CE-O 3.47Å; K643-I654 PolarHBondContact NZ-O 2.93Å; N652-I654 VanDerWaalsContact C-N 3.27Å; N652-I654 PolarHBondContact O-N 2.84Å; I654-E656 WeakPolarHBondContact CG2-O 3.49Å; I654-Y693 CarbonylContact C-O 3.54Å; I654-Y693 VanDerWaalsContact CA-O 3.25Å; I654-Y693 WeakPolarHBondContact CA-O 3.35Å; I654-A695 HydrophobicContact CD1-CB 4.19Å; I654-A695 HydrophobicContact CG2-CB 3.98Å |
| 655 | S | 82.7 | Confident | 84 | Confident | 55 Ų | 55 | 76.8 Ų | 76.8 | 39% | 0.385 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | -51.1 | -178.8 | -78.6 | 0 | 0 | 0 | 0 | 112.2 | K643 N692 Y693 | K643-S655 PolarHBondContact NZ-O 3.14Å; S655-N692 WeakPolarHBondContact CB-OD1 3.34Å; S655-N692 PolarHBondContact OG-ND2 2.02Å; S655-N692 PolarHBondContact OG-OD1 2.02Å; S655-Y693 PolarHBondContact N-O 3.47Å |
| 656 | E | 84.1 | Confident | 84.2 | Confident | 95 Ų | 95 | 79.5 Ų | 79.5 | 44% | 0.444 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 145.2 | 176.8 | -162.1 | -176.6 | 160.1 | 0 | 0 | 110.5 | I654 K658 N694 A695 | I654-E656 WeakPolarHBondContact CG2-O 3.49Å; E656-K658 WeakPolarHBondContact OE1-CE 3.2Å; E656-K658 IonicContact OE1-NZ 2.81Å; E656-K658 PolarHBondContact OE1-NZ 3.18Å; E656-N694 VanDerWaalsContact CB-OD1 3.3Å; E656-N694 WeakPolarHBondContact CB-OD1 3Å; E656-N694 PolarHBondContact N-OD1 2.99Å; E656-N694 WeakPolarHBondContact O-CA 3.49Å; E656-A695 PolarHBondContact O-N 3.38Å |
| 657 | Y | 88.3 | Confident | 84.3 | Confident | 46 Ų | 46 | 81 Ų | 81 | 18% | 0.18 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 146.9 | 172.1 | 81.9 | -77.1 | 0 | 0 | 0 | 112.4 | L637 K643 K659 A695 I697 | L637-Y657 HydrophobicContact CB-CD2 4.22Å; L637-Y657 HydrophobicContact CB-CE2 4.19Å; L637-Y657 HydrophobicContact CD1-CD1 4.19Å; L637-Y657 HydrophobicContact CD1-CD2 4.43Å; L637-Y657 HydrophobicContact CD1-CG 4.04Å; L637-Y657 HydrophobicContact CD2-CD1 4.1Å; L637-Y657 HydrophobicContact CD2-CE1 3.82Å; L637-Y657 HydrophobicContact CD2-CE2 4.38Å; K643-Y657 HydrophobicContact CB-CE1 3.83Å; K643-Y657 HydrophobicContact CG-CD1 4.46Å; K643-Y657 HydrophobicContact CG-CE1 4.16Å; K643-Y657 PolarHBondContact N-OH 3.18Å; Y657-K659 HydrophobicContact CE2-CG 4.5Å; Y657-A695 CarbonylContact C-O 3.58Å; Y657-A695 WeakPolarHBondContact CA-O 3.17Å; Y657-I697 HydrophobicContact CD2-CD1 4.25Å |
| 658 | K | 88.8 | Confident | 84.5 | Confident | 111 Ų | 111 | 86.3 Ų | 86.3 | 48% | 0.483 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 136.5 | 176.2 | -64.3 | 179.9 | -175.7 | 168.4 | 0 | 110.5 | E656 V660 A695 E696 I697 | E656-K658 WeakPolarHBondContact OE1-CE 3.2Å; E656-K658 IonicContact OE1-NZ 2.81Å; E656-K658 PolarHBondContact OE1-NZ 3.18Å; K658-V660 HydrophobicContact CB-CG1 4.1Å; K658-A695 PolarHBondContact N-O 2.04Å; K658-E696 WeakPolarHBondContact O-CA 3.37Å; K658-I697 PolarHBondContact O-N 3.38Å |
| 659 | K | 88 | Confident | 85 | Confident | 84 Ų | 84 | 83.7 Ų | 83.7 | 37% | 0.365 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 119.6 | 168 | -64.2 | -171.5 | -172.7 | -176.6 | 0 | 108.3 | L637 S638 S640 Y657 I697 T699 | L637-K659 WeakPolarHBondContact O-CE 3.03Å; L637-K659 PolarHBondContact O-NZ 2.94Å; L637-K659 VanDerWaalsContact O-NZ 3.1Å; S638-K659 PolarHBondContact O-NZ 3.13Å; S640-K659 PolarHBondContact O-NZ 2.96Å; Y657-K659 HydrophobicContact CE2-CG 4.5Å; K659-I697 CarbonylContact C-O 3.47Å; K659-I697 VanDerWaalsContact CA-O 3.3Å; K659-I697 WeakPolarHBondContact CA-O 3.15Å; K659-T699 HydrophobicContact CB-CG2 3.84Å |
| 660 | V | 89.1 | Confident | 85.4 | Confident | 20 Ų | 20 | 80.8 Ų | 80.8 | 12% | 0.121 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 152.8 | -172.5 | -62.2 | 0 | 0 | 0 | 0 | 110.6 | K658 K662 F663 E696 I697 L698 T699 | K658-V660 HydrophobicContact CB-CG1 4.1Å; V660-K662 WeakPolarHBondContact CB-O 3.42Å; V660-K662 WeakPolarHBondContact CG2-O 3.42Å; V660-F663 HydrophobicContact CG2-CD1 4.07Å; V660-E696 HydrophobicContact CG1-CG 4.4Å; V660-E696 HydrophobicContact CG2-CB 4.05Å; V660-E696 HydrophobicContact CG2-CG 4.44Å; V660-I697 PolarHBondContact N-O 2.97Å; V660-L698 HydrophobicContact CG2-CD2 4.34Å; V660-L698 WeakPolarHBondContact O-CA 3.34Å; V660-L698 WeakPolarHBondContact O-CD2 3.5Å; V660-T699 PolarHBondContact O-N 2.71Å; V660-T699 VanDerWaalsContact O-N 3.08Å |
| 661 | E | 86.5 | Confident | 85.8 | Confident | 177 Ų | 177 | 83.7 Ų | 83.7 | 83% | 0.827 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -82.1 | -26.1 | 171.9 | -63.9 | -173.8 | 168.4 | 0 | 0 | 111.9 | L698 | E661-L698 WeakPolarHBondContact O-CD2 3.01Š|
| 662 | K | 87.1 | Confident | 86.2 | Confident | 167 Ų | 167 | 80.2 Ų | 80.2 | 73% | 0.726 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -143.7 | 140.2 | 176 | -171.3 | 179.1 | -179.4 | -177.7 | 0 | 109.1 | V660 | V660-K662 WeakPolarHBondContact CB-O 3.42Å; V660-K662 WeakPolarHBondContact CG2-O 3.42Å |
| 663 | F | 88.6 | Confident | 86.7 | Confident | 30 Ų | 30 | 80.1 Ų | 80.1 | 13% | 0.132 | 38% | 0.382 | C | S | . | . | trans | -66.5 | 134.9 | 177.9 | -63.5 | -56.2 | 0 | 0 | 0 | 112.2 | V660 E669 K681 K683 E696 L698 | V660-F663 HydrophobicContact CG2-CD1 4.07Å; F663-E669 HydrophobicContact CE2-CG 3.85Å; F663-E669 HydrophobicContact CZ-CG 4.44Å; F663-K681 HydrophobicContact CE2-CB 4.43Å; F663-K681 HydrophobicContact CZ-CB 4.15Å; F663-K683 HydrophobicContact CB-CD 3.79Å; F663-K683 HydrophobicContact CD1-CB 4.14Å; F663-K683 HydrophobicContact CD1-CD 4.05Å; F663-K683 HydrophobicContact CD1-CG 3.86Å; F663-K683 HydrophobicContact CD2-CD 4.08Å; F663-K683 HydrophobicContact CD2-CG 4.12Å; F663-K683 HydrophobicContact CE1-CB 4.27Å; F663-K683 HydrophobicContact CE1-CG 4.02Å; F663-K683 HydrophobicContact CE2-CG 4.25Å; F663-K683 HydrophobicContact CG-CD 3.72Å; F663-K683 HydrophobicContact CG-CG 3.91Å; F663-K683 HydrophobicContact CZ-CG 4.19Å; F663-E696 WeakPolarHBondContact CA-OE2 2.99Å; F663-E696 HydrophobicContact CD1-CB 3.89Å; F663-E696 HydrophobicContact CE1-CB 4.25Å; F663-E696 WeakPolarHBondContact CE1-O 3.04Å; F663-L698 HydrophobicContact CD1-CD2 4.4Å; F663-L698 HydrophobicContact CD2-CD2 4.49Å; F663-L698 HydrophobicContact CE1-CD2 4.12Å; F663-L698 HydrophobicContact CE1-CG 3.85Å; F663-L698 HydrophobicContact CE2-CD1 3.77Å; F663-L698 HydrophobicContact CE2-CD2 4.24Å; F663-L698 HydrophobicContact CE2-CG 3.85Å; F663-L698 HydrophobicContact CZ-CD1 3.83Å; F663-L698 HydrophobicContact CZ-CD2 4.07Å; F663-L698 HydrophobicContact CZ-CG 3.45Å; F663-L698 VanDerWaalsContact CZ-CG 3.45Å | ||
| 664 | N | 84.9 | Confident | 86.6 | Confident | 121 Ų | 121 | 79.7 Ų | 79.7 | 65% | 0.647 | 38% | 0.379 | S | S | * | . | trans | -103.8 | -22.9 | 169.6 | -61.3 | -46.2 | 0 | 0 | 0 | 111.4 | E696 | N664-E696 PolarHBondContact N-OE2 2.91Š| ||
| 665 | L | 85.2 | Confident | 86.1 | Confident | 29 Ų | 29 | 84.9 Ų | 84.9 | 15% | 0.152 | 42% | 0.415 | C | S | . | . | trans | -67 | 136.5 | 174.9 | -71.2 | 175.7 | 0 | 0 | 0 | 111.6 | S667 K683 E685 E696 | L665-S667 PolarHBondContact O-N 3.32Å; L665-K683 HydrophobicContact CB-CB 4.29Å; L665-K683 HydrophobicContact CB-CD 4.16Å; L665-K683 HydrophobicContact CD1-CB 4.36Å; L665-K683 VanDerWaalsContact O-CD 3.28Å; L665-K683 WeakPolarHBondContact O-CD 2.97Å; L665-K683 PolarHBondContact O-NZ 3.47Å; L665-E685 HydrophobicContact CD1-CB 4.29Å; L665-E685 HydrophobicContact CD2-CB 4.26Å; L665-E685 WeakPolarHBondContact CD2-OE2 3.48Å; L665-E696 HydrophobicContact CD1-CB 4.04Å; L665-E696 HydrophobicContact CD1-CG 3.63Å; L665-E696 HydrophobicContact CG-CG 3.89Å; L665-E696 PolarHBondContact N-OE2 3.45Å | ||
| 666 | Q | 80.8 | Confident | 85.8 | Confident | 186 Ų | 186 | 87.6 Ų | 87.6 | 87% | 0.869 | 42% | 0.422 | S | S | * | . | trans | -83 | 1.8 | 176.6 | -62.4 | -62.3 | -30.6 | 0 | 0 | 113.1 | ||||
| 667 | S | 82.2 | Confident | 85.4 | Confident | 31 Ų | 31 | 84.7 Ų | 84.7 | 22% | 0.217 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -74.3 | 170.1 | 179.7 | 64.9 | 0 | 0 | 0 | 0 | 113.1 | L665 K683 L684 | L665-S667 PolarHBondContact O-N 3.32Å; S667-K683 VanDerWaalsContact O-CD 3.27Å; S667-K683 WeakPolarHBondContact O-CD 3.01Å; S667-K683 VanDerWaalsContact O-CE 3.22Å; S667-K683 WeakPolarHBondContact O-CE 3.45Å; S667-K683 PolarHBondContact O-NZ 3.43Å; S667-L684 WeakPolarHBondContact CB-O 3.17Å; S667-L684 PolarHBondContact OG-O 2.03Å |
| 668 | K | 84.6 | Confident | 85.3 | Confident | 180 Ų | 180 | 82.8 Ų | 82.8 | 78% | 0.783 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 134.6 | -178.9 | -172.2 | 176 | 179.8 | 178.1 | 0 | 110.9 | ||
| 669 | E | 90.6 | Very high | 85.3 | Confident | 93 Ų | 93 | 82.3 Ų | 82.3 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 131.7 | 175.8 | -172.3 | 175.2 | 146.1 | 0 | 0 | 111.5 | F663 K683 | F663-E669 HydrophobicContact CE2-CG 3.85Å; F663-E669 HydrophobicContact CZ-CG 4.44Å; E669-K683 HydrophobicContact CB-CG 4.39Å |
| 670 | C | 90.9 | Very high | 85.4 | Confident | 5 Ų | 5 | 78.4 Ų | 78.4 | 3% | 0.034 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 130.2 | 171.4 | -57 | 0 | 0 | 0 | 0 | 109 | C627 K681 F682 | C627-C670 VanDerWaalsContact CA-SG 3.51Å; C627-C670 HydrophobicContact CB-CB 3.58Å; C627-C670 WeakPolarHBondContact CB-SG 3.45Å; C627-C670 WeakPolarHBondContact SG-CB 3.44Å; C627-C670 CovalentContact SG-SG 2.03Å; C627-C670 PolarHBondContact SG-SG 3.19Å; C670-K681 WeakPolarHBondContact O-CA 3.4Å; C670-F682 WeakPolarHBondContact CA-O 3.35Å; C670-F682 HydrophobicContact CB-CD1 3.99Å; C670-F682 HydrophobicContact CB-CD2 3.85Å; C670-F682 HydrophobicContact CB-CE1 3.73Å; C670-F682 HydrophobicContact CB-CE2 3.57Å; C670-F682 HydrophobicContact CB-CG 4.06Å; C670-F682 HydrophobicContact CB-CZ 3.52Å; C670-F682 WeakPolarHBondContact CB-O 3.38Å; C670-F682 PolarHBondContact N-O 2.94Å; C670-F682 PolarHBondContact O-N 3.1Å |
| 671 | N | 90.8 | Very high | 85.5 | Confident | 66 Ų | 66 | 79.8 Ų | 79.8 | 35% | 0.353 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 115.4 | 173.9 | -174.7 | 20.8 | 0 | 0 | 0 | 109.4 | K681 | N671-K681 HydrophobicContact CB-CG 4.29Å |
| 672 | Q | 90.4 | Very high | 85.8 | Confident | 51 Ų | 51 | 71.4 Ų | 71.4 | 24% | 0.238 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 157.5 | -172.2 | -66.3 | -61.3 | -20.8 | 0 | 0 | 111.4 | L631 W679 I680 F682 | L631-Q672 HydrophobicContact CD1-CB 3.42Å; L631-Q672 VanDerWaalsContact CD1-CB 3.42Å; L631-Q672 HydrophobicContact CD1-CG 4.06Å; L631-Q672 HydrophobicContact CD2-CB 3.97Å; L631-Q672 HydrophobicContact CD2-CG 4.31Å; L631-Q672 HydrophobicContact CG-CB 4.32Å; Q672-W679 WeakPolarHBondContact O-CA 3.47Å; Q672-I680 PolarHBondContact N-O 3Å; Q672-I680 PolarHBondContact O-N 2.77Å; Q672-F682 HydrophobicContact CB-CE1 4.41Å; Q672-F682 HydrophobicContact CG-CE1 4.33Å |
| 673 | K | 86.3 | Confident | 86.1 | Confident | 111 Ų | 111 | 64.9 Ų | 64.9 | 48% | 0.483 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 138.7 | 173.6 | -70.8 | -174.7 | 178.7 | -176.8 | 0 | 111.3 | C678 W679 | K673-C678 CarbonylContact C-O 3.49Å; K673-C678 WeakPolarHBondContact CA-O 3.4Å; K673-W679 HydrophobicContact CD-CH2 4.49Å; K673-W679 HydrophobicContact CD-CZ2 4.26Å; K673-W679 HydrophobicContact CG-CD2 3.81Å; K673-W679 HydrophobicContact CG-CE3 3.81Å; K673-W679 HydrophobicContact CG-CG 4.46Å; K673-W679 HydrophobicContact CG-CH2 4.15Å; K673-W679 HydrophobicContact CG-CZ2 4.15Å; K673-W679 HydrophobicContact CG-CZ3 3.98Å |
| 674 | D | 81.7 | Confident | 86.2 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 8% | 0.075 | 32% | 0.324 | C | S | . | . | trans | -84.1 | 179.4 | 170.7 | 67.9 | 14.4 | 0 | 0 | 0 | 112.5 | E676 G677 C678 I680 R701 | D674-E676 PolarHBondContact O-N 2.85Å; D674-E676 WeakPolarHBondContact OD1-CA 3.46Å; D674-E676 WeakPolarHBondContact OD1-CB 3.37Å; D674-E676 PolarHBondContact OD1-N 2.89Å; D674-G677 PolarHBondContact O-N 2.82Å; D674-G677 VanDerWaalsContact O-N 3.09Å; D674-G677 PolarHBondContact OD1-N 3.32Å; D674-C678 PolarHBondContact N-O 3.29Å; D674-C678 PolarHBondContact OD1-N 2.03Å; D674-I680 HydrophobicContact CB-CD1 3.55Å; D674-I680 HydrophobicContact CB-CG1 4.04Å; D674-R701 IonicContact OD2-CZ 2.73Å; D674-R701 IonicContact OD2-NH1 3.89Å; D674-R701 PolarHBondContact OD2-NH1 3.23Å | ||
| 675 | S | 76.4 | Confident | 86.4 | Confident | 110 Ų | 110 | 62.9 Ų | 62.9 | 77% | 0.769 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -16.1 | 177.1 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 676 | E | 76.4 | Confident | 86.5 | Confident | 113 Ų | 113 | 64.5 Ų | 64.5 | 53% | 0.528 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -0.1 | 176.4 | -63 | 176.6 | 172.7 | 0 | 0 | 111.7 | D674 C678 R701 | D674-E676 PolarHBondContact O-N 2.85Å; D674-E676 WeakPolarHBondContact OD1-CA 3.46Å; D674-E676 WeakPolarHBondContact OD1-CB 3.37Å; D674-E676 PolarHBondContact OD1-N 2.89Å; E676-C678 VanDerWaalsContact C-N 3.31Å; E676-R701 IonicContact OE2-CZ 3.12Å; E676-R701 IonicContact OE2-NH1 2.77Å; E676-R701 PolarHBondContact OE2-NH1 2.49Å; E676-R701 IonicContact OE2-NH2 3.83Å; E676-R701 PolarHBondContact OE2-NH2 3.42Å |
| 677 | G | 76.1 | Confident | 86.8 | Confident | 33 Ų | 33 | 58.2 Ų | 58.2 | 34% | 0.34 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 79.7 | 8.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D674 | D674-G677 PolarHBondContact O-N 2.82Å; D674-G677 VanDerWaalsContact O-N 3.09Å; D674-G677 PolarHBondContact OD1-N 3.32Å |
| 678 | C | 86.2 | Confident | 87 | Confident | 6 Ų | 6 | 59.5 Ų | 59.5 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | trans | -86.3 | 146.6 | 176.6 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | K673 D674 E676 R701 E702 C703 | K673-C678 CarbonylContact C-O 3.49Å; K673-C678 WeakPolarHBondContact CA-O 3.4Å; D674-C678 PolarHBondContact N-O 3.29Å; D674-C678 PolarHBondContact OD1-N 2.03Å; E676-C678 VanDerWaalsContact C-N 3.31Å; C678-R701 HydrophobicContact CB-CB 4.31Å; C678-E702 WeakPolarHBondContact CA-O 3.07Å; C678-C703 HydrophobicContact CB-CB 4.06Å; C678-C703 WeakPolarHBondContact CB-SG 3.36Å; C678-C703 WeakPolarHBondContact SG-CB 3.44Å; C678-C703 CovalentContact SG-SG 2.03Å; C678-C703 PolarHBondContact SG-SG 3.32Å | ||
| 679 | W | 87.8 | Confident | 87 | Confident | 101 Ų | 101 | 51.8 Ų | 51.8 | 38% | 0.383 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 126.2 | 174 | -64 | 96.6 | 0 | 0 | 0 | 111.1 | Q672 K673 E702 | Q672-W679 WeakPolarHBondContact O-CA 3.47Å; K673-W679 HydrophobicContact CD-CH2 4.49Å; K673-W679 HydrophobicContact CD-CZ2 4.26Å; K673-W679 HydrophobicContact CG-CD2 3.81Å; K673-W679 HydrophobicContact CG-CE3 3.81Å; K673-W679 HydrophobicContact CG-CG 4.46Å; K673-W679 HydrophobicContact CG-CH2 4.15Å; K673-W679 HydrophobicContact CG-CZ2 4.15Å; K673-W679 HydrophobicContact CG-CZ3 3.98Å; W679-E702 HydrophobicContact CB-CB 4.2Å; W679-E702 PolarHBondContact N-O 3.05Å; W679-E702 PolarHBondContact O-N 3.24Å |
| 680 | I | 90.6 | Very high | 86.6 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.3 | 172.5 | -55.4 | -173.7 | 0 | 0 | 0 | 108.8 | I634 Q672 D674 F682 I697 R701 | I634-I680 HydrophobicContact CG2-CG2 4.29Å; Q672-I680 PolarHBondContact N-O 3Å; Q672-I680 PolarHBondContact O-N 2.77Å; D674-I680 HydrophobicContact CB-CD1 3.55Å; D674-I680 HydrophobicContact CB-CG1 4.04Å; I680-F682 HydrophobicContact CG2-CD1 4.28Å; I680-I697 HydrophobicContact CG2-CG2 4.08Å; I680-R701 HydrophobicContact CG1-CG 4.25Å |
| 681 | K | 92 | Very high | 86.2 | Confident | 50 Ų | 50 | 56.1 Ų | 56.1 | 22% | 0.217 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 131.1 | 173.8 | -67.7 | 170.3 | -179 | 163.8 | 0 | 109.8 | F663 C670 N671 L698 E702 | F663-K681 HydrophobicContact CE2-CB 4.43Å; F663-K681 HydrophobicContact CZ-CB 4.15Å; C670-K681 WeakPolarHBondContact O-CA 3.4Å; N671-K681 HydrophobicContact CB-CG 4.29Å; K681-L698 HydrophobicContact CB-CB 4.47Å; K681-L698 HydrophobicContact CB-CD1 3.61Å; K681-L698 HydrophobicContact CB-CG 4.23Å; K681-L698 HydrophobicContact CD-CD1 4.02Å; K681-L698 HydrophobicContact CG-CD1 4.44Å; K681-L698 PolarHBondContact O-N 3.36Å; K681-E702 IonicContact NZ-OE1 3.58Å; K681-E702 PolarHBondContact NZ-OE1 2.89Å; K681-E702 IonicContact NZ-OE2 3.54Å |
| 682 | F | 92.2 | Very high | 86 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 160.9 | 179.3 | 63.1 | -84.1 | 0 | 0 | 0 | 112.3 | C627 L631 I634 C670 Q672 I680 L684 E696 I697 | C627-F682 WeakPolarHBondContact O-CZ 2.94Å; L631-F682 HydrophobicContact CD1-CE1 4.29Å; I634-F682 HydrophobicContact CB-CE1 4.45Å; I634-F682 HydrophobicContact CB-CE2 4.46Å; I634-F682 HydrophobicContact CB-CZ 4.42Å; I634-F682 HydrophobicContact CD1-CD2 4.12Å; I634-F682 HydrophobicContact CG1-CD2 3.87Å; I634-F682 HydrophobicContact CG1-CE2 3.83Å; I634-F682 HydrophobicContact CG1-CG 4.32Å; I634-F682 HydrophobicContact CG1-CZ 4.23Å; I634-F682 HydrophobicContact CG2-CB 4.06Å; I634-F682 HydrophobicContact CG2-CD1 3.6Å; I634-F682 HydrophobicContact CG2-CD2 4.11Å; I634-F682 HydrophobicContact CG2-CE1 3.95Å; I634-F682 HydrophobicContact CG2-CE2 4.43Å; I634-F682 HydrophobicContact CG2-CG 3.67Å; I634-F682 HydrophobicContact CG2-CZ 4.34Å; C670-F682 WeakPolarHBondContact CA-O 3.35Å; C670-F682 HydrophobicContact CB-CD1 3.99Å; C670-F682 HydrophobicContact CB-CD2 3.85Å; C670-F682 HydrophobicContact CB-CE1 3.73Å; C670-F682 HydrophobicContact CB-CE2 3.57Å; C670-F682 HydrophobicContact CB-CG 4.06Å; C670-F682 HydrophobicContact CB-CZ 3.52Å; C670-F682 WeakPolarHBondContact CB-O 3.38Å; C670-F682 PolarHBondContact N-O 2.94Å; C670-F682 PolarHBondContact O-N 3.1Å; Q672-F682 HydrophobicContact CB-CE1 4.41Å; Q672-F682 HydrophobicContact CG-CE1 4.33Å; I680-F682 HydrophobicContact CG2-CD1 4.28Å; F682-L684 HydrophobicContact CD2-CD1 4.46Å; F682-L684 HydrophobicContact CD2-CD2 4.13Å; F682-L684 HydrophobicContact CD2-CG 3.97Å; F682-L684 HydrophobicContact CE2-CD1 3.94Å; F682-L684 HydrophobicContact CE2-CD2 4.32Å; F682-L684 HydrophobicContact CE2-CG 3.96Å; F682-E696 CarbonylContact C-O 3.59Å; F682-E696 WeakPolarHBondContact CA-O 3.29Å; F682-E696 VanDerWaalsContact CB-O 3.25Å; F682-E696 WeakPolarHBondContact CB-O 3.26Å; F682-I697 HydrophobicContact CB-CB 4.45Å; F682-I697 HydrophobicContact CB-CG1 4.1Å |
| 683 | K | 93.1 | Very high | 86 | Confident | 31 Ų | 31 | 53.2 Ų | 53.2 | 14% | 0.135 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 142 | 174.5 | -76 | -166.2 | -179.7 | -158.4 | 0 | 110.5 | F663 L665 S667 E669 A695 E696 | F663-K683 HydrophobicContact CB-CD 3.79Å; F663-K683 HydrophobicContact CD1-CB 4.14Å; F663-K683 HydrophobicContact CD1-CD 4.05Å; F663-K683 HydrophobicContact CD1-CG 3.86Å; F663-K683 HydrophobicContact CD2-CD 4.08Å; F663-K683 HydrophobicContact CD2-CG 4.12Å; F663-K683 HydrophobicContact CE1-CB 4.27Å; F663-K683 HydrophobicContact CE1-CG 4.02Å; F663-K683 HydrophobicContact CE2-CG 4.25Å; F663-K683 HydrophobicContact CG-CD 3.72Å; F663-K683 HydrophobicContact CG-CG 3.91Å; F663-K683 HydrophobicContact CZ-CG 4.19Å; L665-K683 HydrophobicContact CB-CB 4.29Å; L665-K683 HydrophobicContact CB-CD 4.16Å; L665-K683 HydrophobicContact CD1-CB 4.36Å; L665-K683 VanDerWaalsContact O-CD 3.28Å; L665-K683 WeakPolarHBondContact O-CD 2.97Å; L665-K683 PolarHBondContact O-NZ 3.47Å; S667-K683 VanDerWaalsContact O-CD 3.27Å; S667-K683 WeakPolarHBondContact O-CD 3.01Å; S667-K683 VanDerWaalsContact O-CE 3.22Å; S667-K683 WeakPolarHBondContact O-CE 3.45Å; S667-K683 PolarHBondContact O-NZ 3.43Å; E669-K683 HydrophobicContact CB-CG 4.39Å; K683-A695 WeakPolarHBondContact O-CA 3.36Å; K683-E696 PolarHBondContact N-O 3.33Å; K683-E696 PolarHBondContact O-N 3.45Å |
| 684 | L | 90.6 | Very high | 86.2 | Confident | 17 Ų | 17 | 49.4 Ų | 49.4 | 9% | 0.089 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 135.7 | 178 | -62.2 | 176.4 | 0 | 0 | 0 | 110.2 | A626 K630 I634 S667 F682 Y693 N694 A695 | A626-L684 HydrophobicContact CB-CD1 3.9Å; K630-L684 HydrophobicContact CB-CD1 4.14Å; K630-L684 HydrophobicContact CG-CD1 4.14Å; I634-L684 HydrophobicContact CD1-CD2 4.13Å; S667-L684 WeakPolarHBondContact CB-O 3.17Å; S667-L684 PolarHBondContact OG-O 2.03Å; F682-L684 HydrophobicContact CD2-CD1 4.46Å; F682-L684 HydrophobicContact CD2-CD2 4.13Å; F682-L684 HydrophobicContact CD2-CG 3.97Å; F682-L684 HydrophobicContact CE2-CD1 3.94Å; F682-L684 HydrophobicContact CE2-CD2 4.32Å; F682-L684 HydrophobicContact CE2-CG 3.96Å; L684-Y693 HydrophobicContact CB-CD1 4.13Å; L684-N694 CarbonylContact C-O 3.55Å; L684-N694 WeakPolarHBondContact CA-O 3.39Å; L684-A695 HydrophobicContact CD2-CB 3.69Å |
| 685 | E | 88.9 | Confident | 86.6 | Confident | 91 Ų | 91 | 49 Ų | 49 | 43% | 0.425 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124.3 | 170 | 179 | 174.8 | -136.2 | 0 | 0 | 108.7 | L665 Y693 N694 | L665-E685 HydrophobicContact CD1-CB 4.29Å; L665-E685 HydrophobicContact CD2-CB 4.26Å; L665-E685 WeakPolarHBondContact CD2-OE2 3.48Å; E685-Y693 CarbonylContact O-C 3.57Å; E685-Y693 VanDerWaalsContact O-CA 3.25Å; E685-Y693 WeakPolarHBondContact O-CA 3Å; E685-N694 PolarHBondContact N-O 2.98Å; E685-N694 PolarHBondContact O-N 3.46Å |
| 686 | Q | 87.4 | Confident | 87.4 | Confident | 63 Ų | 63 | 44.5 Ų | 44.5 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 124.7 | -176.2 | -161.1 | 179.3 | -2.9 | 0 | 0 | 111.2 | R598 Y612 N692 Y693 | R598-Q686 VanDerWaalsContact NH2-CG 3.29Å; Y612-Q686 PolarHBondContact OH-NE2 2.79Å; Q686-N692 WeakPolarHBondContact CG-O 3.42Å; Q686-Y693 HydrophobicContact CB-CD1 3.73Å; Q686-Y693 HydrophobicContact CB-CE1 3.53Å; Q686-Y693 HydrophobicContact CG-CD1 3.8Å; Q686-Y693 HydrophobicContact CG-CE1 3.38Å; Q686-Y693 HydrophobicContact CG-CE2 4.37Å; Q686-Y693 HydrophobicContact CG-CG 4.45Å; Q686-Y693 PolarHBondContact NE2-OH 3.48Å |
| 687 | L | 87.8 | Confident | 88.1 | Confident | 54 Ų | 54 | 39.1 Ų | 39.1 | 28% | 0.283 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -90.5 | 170.4 | 179 | -59.5 | -179.2 | 0 | 0 | 0 | 111.9 | R598 N692 | R598-L687 PolarHBondContact NH2-O 3.22Å; L687-N692 PolarHBondContact N-O 3.22Å |
| 688 | T | 86.7 | Confident | 88.8 | Confident | 58 Ų | 58 | 39 Ų | 39 | 36% | 0.356 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -58.5 | 139.1 | 174.2 | -51.5 | 0 | 0 | 0 | 0 | 110.9 | D591 S593 Y596 | D591-T688 PolarHBondContact OD2-OG1 3.06Å; S593-T688 WeakPolarHBondContact OG-CG2 3Å; Y596-T688 WeakPolarHBondContact O-CG2 2.98Å |
| 689 | G | 84.4 | Confident | 88.7 | Confident | 19 Ų | 19 | 42.4 Ų | 42.4 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 102.2 | 178.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y596 R598 | Y596-G689 PolarHBondContact O-N 3.28Å; R598-G689 WeakPolarHBondContact CG-O 3.26Å; R598-G689 PolarHBondContact NE-O 3.03Å |
| 690 | M | 82.3 | Confident | 88.4 | Confident | 118 Ų | 118 | 45.8 Ų | 45.8 | 58% | 0.581 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -81.1 | 126.4 | 179.7 | -74.6 | -83.4 | -70.1 | 0 | 0 | 110.6 | N692 | M690-N692 VanDerWaalsContact C-N 3.26Å; M690-N692 PolarHBondContact O-N 3.38Å; M690-N692 VanDerWaalsContact O-N 3.15Å |
| 691 | D | 82.4 | Confident | 88 | Confident | 71 Ų | 71 | 49.4 Ų | 49.4 | 38% | 0.38 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 54.7 | 36.3 | 166.1 | -146.2 | 24.1 | 0 | 0 | 0 | 114.8 | K630 T653 Y693 | K630-D691 WeakPolarHBondContact CE-OD1 2.9Å; K630-D691 IonicContact NZ-OD1 2.71Å; K630-D691 PolarHBondContact NZ-OD1 2.79Å; K630-D691 IonicContact NZ-OD2 3.8Å; K630-D691 PolarHBondContact NZ-OD2 3.29Å; T653-D691 WeakPolarHBondContact CB-O 3.37Å; D691-Y693 WeakPolarHBondContact OD1-CE2 3.08Å |
| 692 | N | 87.3 | Confident | 87.6 | Confident | 36 Ų | 36 | 51.6 Ų | 51.6 | 19% | 0.193 | 26% | 0.258 | C | S | . | . | trans | -112.7 | 126.3 | -177.4 | -175 | 14.2 | 0 | 0 | 0 | 111.8 | S655 Q686 L687 M690 | S655-N692 WeakPolarHBondContact CB-OD1 3.34Å; S655-N692 PolarHBondContact OG-ND2 2.02Å; S655-N692 PolarHBondContact OG-OD1 2.02Å; Q686-N692 WeakPolarHBondContact CG-O 3.42Å; L687-N692 PolarHBondContact N-O 3.22Å; M690-N692 VanDerWaalsContact C-N 3.26Å; M690-N692 PolarHBondContact O-N 3.38Å; M690-N692 VanDerWaalsContact O-N 3.15Å | ||
| 693 | Y | 89.2 | Confident | 87.1 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 153.1 | -172.5 | -61.1 | -94.4 | 0 | 0 | 0 | 113.6 | A626 T653 I654 S655 L684 E685 Q686 D691 | A626-Y693 HydrophobicContact CB-CE1 4.01Å; T653-Y693 PolarHBondContact O-N 2.93Å; I654-Y693 CarbonylContact C-O 3.54Å; I654-Y693 VanDerWaalsContact CA-O 3.25Å; I654-Y693 WeakPolarHBondContact CA-O 3.35Å; S655-Y693 PolarHBondContact N-O 3.47Å; L684-Y693 HydrophobicContact CB-CD1 4.13Å; E685-Y693 CarbonylContact O-C 3.57Å; E685-Y693 VanDerWaalsContact O-CA 3.25Å; E685-Y693 WeakPolarHBondContact O-CA 3Å; Q686-Y693 HydrophobicContact CB-CD1 3.73Å; Q686-Y693 HydrophobicContact CB-CE1 3.53Å; Q686-Y693 HydrophobicContact CG-CD1 3.8Å; Q686-Y693 HydrophobicContact CG-CE1 3.38Å; Q686-Y693 HydrophobicContact CG-CE2 4.37Å; Q686-Y693 HydrophobicContact CG-CG 4.45Å; Q686-Y693 PolarHBondContact NE2-OH 3.48Å; D691-Y693 WeakPolarHBondContact OD1-CE2 3.08Å |
| 694 | N | 90.4 | Very high | 86.2 | Confident | 32 Ų | 32 | 58.1 Ų | 58.1 | 17% | 0.171 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 143.8 | 159.5 | -85.1 | -3.3 | 0 | 0 | 0 | 110.2 | E656 L684 E685 | E656-N694 VanDerWaalsContact CB-OD1 3.3Å; E656-N694 WeakPolarHBondContact CB-OD1 3Å; E656-N694 PolarHBondContact N-OD1 2.99Å; E656-N694 WeakPolarHBondContact O-CA 3.49Å; L684-N694 CarbonylContact C-O 3.55Å; L684-N694 WeakPolarHBondContact CA-O 3.39Å; E685-N694 PolarHBondContact N-O 2.98Å; E685-N694 PolarHBondContact O-N 3.46Å |
| 695 | A | 90.9 | Very high | 85.3 | Confident | 4 Ų | 4 | 66 Ų | 66 | 3% | 0.033 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 135 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I634 I654 E656 Y657 K658 K683 L684 | I634-A695 HydrophobicContact CD1-CB 3.64Å; I654-A695 HydrophobicContact CD1-CB 4.19Å; I654-A695 HydrophobicContact CG2-CB 3.98Å; E656-A695 PolarHBondContact O-N 3.38Å; Y657-A695 CarbonylContact C-O 3.58Å; Y657-A695 WeakPolarHBondContact CA-O 3.17Å; K658-A695 PolarHBondContact N-O 2.04Å; K683-A695 WeakPolarHBondContact O-CA 3.36Å; L684-A695 HydrophobicContact CD2-CB 3.69Å |
| 696 | E | 92.5 | Very high | 84.3 | Confident | 16 Ų | 16 | 67.1 Ų | 67.1 | 8% | 0.075 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128.8 | 162.5 | -76.1 | -174.8 | 166.4 | 0 | 0 | 109.3 | K658 V660 F663 N664 L665 F682 K683 | K658-E696 WeakPolarHBondContact O-CA 3.37Å; V660-E696 HydrophobicContact CG1-CG 4.4Å; V660-E696 HydrophobicContact CG2-CB 4.05Å; V660-E696 HydrophobicContact CG2-CG 4.44Å; F663-E696 WeakPolarHBondContact CA-OE2 2.99Å; F663-E696 HydrophobicContact CD1-CB 3.89Å; F663-E696 HydrophobicContact CE1-CB 4.25Å; F663-E696 WeakPolarHBondContact CE1-O 3.04Å; N664-E696 PolarHBondContact N-OE2 2.91Å; L665-E696 HydrophobicContact CD1-CB 4.04Å; L665-E696 HydrophobicContact CD1-CG 3.63Å; L665-E696 HydrophobicContact CG-CG 3.89Å; L665-E696 PolarHBondContact N-OE2 3.45Å; F682-E696 CarbonylContact C-O 3.59Å; F682-E696 WeakPolarHBondContact CA-O 3.29Å; F682-E696 VanDerWaalsContact CB-O 3.25Å; F682-E696 WeakPolarHBondContact CB-O 3.26Å; K683-E696 PolarHBondContact N-O 3.33Å; K683-E696 PolarHBondContact O-N 3.45Å |
| 697 | I | 91.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.5 | -177.4 | -55.3 | 166.9 | 0 | 0 | 0 | 108.4 | I634 L637 Y657 K658 K659 V660 I680 F682 | I634-I697 HydrophobicContact CD1-CD1 3.85Å; I634-I697 HydrophobicContact CD1-CG1 4.01Å; I634-I697 HydrophobicContact CG2-CD1 3.97Å; I634-I697 HydrophobicContact CG2-CG1 4.02Å; L637-I697 HydrophobicContact CB-CD1 3.91Å; Y657-I697 HydrophobicContact CD2-CD1 4.25Å; K658-I697 PolarHBondContact O-N 3.38Å; K659-I697 CarbonylContact C-O 3.47Å; K659-I697 VanDerWaalsContact CA-O 3.3Å; K659-I697 WeakPolarHBondContact CA-O 3.15Å; V660-I697 PolarHBondContact N-O 2.97Å; I680-I697 HydrophobicContact CG2-CG2 4.08Å; F682-I697 HydrophobicContact CB-CB 4.45Å; F682-I697 HydrophobicContact CB-CG1 4.1Å |
| 698 | L | 90.3 | Very high | 82.5 | Confident | 31 Ų | 31 | 71.1 Ų | 71.1 | 16% | 0.162 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 136.6 | 174.8 | -72.4 | 179.1 | 0 | 0 | 0 | 111.4 | V660 E661 F663 K681 K700 | V660-L698 HydrophobicContact CG2-CD2 4.34Å; V660-L698 WeakPolarHBondContact O-CA 3.34Å; V660-L698 WeakPolarHBondContact O-CD2 3.5Å; E661-L698 WeakPolarHBondContact O-CD2 3.01Å; F663-L698 HydrophobicContact CD1-CD2 4.4Å; F663-L698 HydrophobicContact CD2-CD2 4.49Å; F663-L698 HydrophobicContact CE1-CD2 4.12Å; F663-L698 HydrophobicContact CE1-CG 3.85Å; F663-L698 HydrophobicContact CE2-CD1 3.77Å; F663-L698 HydrophobicContact CE2-CD2 4.24Å; F663-L698 HydrophobicContact CE2-CG 3.85Å; F663-L698 HydrophobicContact CZ-CD1 3.83Å; F663-L698 HydrophobicContact CZ-CD2 4.07Å; F663-L698 HydrophobicContact CZ-CG 3.45Å; F663-L698 VanDerWaalsContact CZ-CG 3.45Å; K681-L698 HydrophobicContact CB-CB 4.47Å; K681-L698 HydrophobicContact CB-CD1 3.61Å; K681-L698 HydrophobicContact CB-CG 4.23Å; K681-L698 HydrophobicContact CD-CD1 4.02Å; K681-L698 HydrophobicContact CG-CD1 4.44Å; K681-L698 PolarHBondContact O-N 3.36Å; L698-K700 VanDerWaalsContact C-N 3.35Å |
| 699 | T | 84.1 | Confident | 81.7 | Confident | 78 Ų | 78 | 72.7 Ų | 72.7 | 48% | 0.479 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -67 | -33.7 | 177.8 | 46.6 | 0 | 0 | 0 | 0 | 113.1 | K659 V660 | K659-T699 HydrophobicContact CB-CG2 3.84Å; V660-T699 PolarHBondContact O-N 2.71Å; V660-T699 VanDerWaalsContact O-N 3.08Å |
| 700 | K | 82.4 | Confident | 81.4 | Confident | 172 Ų | 172 | 78.2 Ų | 78.2 | 75% | 0.748 | 42% | 0.418 | S | S | * | . | trans | -89 | 116.5 | -178.6 | -168.3 | 178.7 | -178 | -177.7 | 0 | 110.9 | L698 | L698-K700 VanDerWaalsContact C-N 3.35Š| ||
| 701 | R | 82.9 | Confident | 81.1 | Confident | 77 Ų | 77 | 75.3 Ų | 75.3 | 29% | 0.291 | 41% | 0.412 | S | S | . | . | trans | -90.7 | 140.7 | 169.9 | -61.4 | -171.8 | -71.1 | 155.8 | -1.5 | 110.1 | L639 D674 E676 C678 I680 | L639-R701 VanDerWaalsContact CD2-NH1 3.29Å; D674-R701 IonicContact OD2-CZ 2.73Å; D674-R701 IonicContact OD2-NH1 3.89Å; D674-R701 PolarHBondContact OD2-NH1 3.23Å; E676-R701 IonicContact OE2-CZ 3.12Å; E676-R701 IonicContact OE2-NH1 2.77Å; E676-R701 PolarHBondContact OE2-NH1 2.49Å; E676-R701 IonicContact OE2-NH2 3.83Å; E676-R701 PolarHBondContact OE2-NH2 3.42Å; C678-R701 HydrophobicContact CB-CB 4.31Å; I680-R701 HydrophobicContact CG1-CG 4.25Å | ||
| 702 | E | 82.1 | Confident | 80.8 | Confident | 97 Ų | 97 | 77 Ų | 77 | 45% | 0.453 | 42% | 0.42 | S | S | . | . | B | Isolated β-bridge | trans | -97.7 | 100.2 | 175.2 | -65.4 | 167.5 | -162.5 | 0 | 0 | 108.7 | C678 W679 K681 | C678-E702 WeakPolarHBondContact CA-O 3.07Å; W679-E702 HydrophobicContact CB-CB 4.2Å; W679-E702 PolarHBondContact N-O 3.05Å; W679-E702 PolarHBondContact O-N 3.24Å; K681-E702 IonicContact NZ-OE1 3.58Å; K681-E702 PolarHBondContact NZ-OE1 2.89Å; K681-E702 IonicContact NZ-OE2 3.54Å |
| 703 | C | 81.3 | Confident | 80.5 | Confident | 63 Ų | 63 | 79.6 Ų | 79.6 | 43% | 0.426 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -103.5 | 147.3 | -179.9 | -59.3 | 0 | 0 | 0 | 0 | 110.9 | C678 E705 | C678-C703 HydrophobicContact CB-CB 4.06Å; C678-C703 WeakPolarHBondContact CB-SG 3.36Å; C678-C703 WeakPolarHBondContact SG-CB 3.44Å; C678-C703 CovalentContact SG-SG 2.03Å; C678-C703 PolarHBondContact SG-SG 3.32Å; C703-E705 PolarHBondContact O-N 2.73Å |
| 704 | P | 74.5 | Confident | 80 | Confident | 104 Ų | 104 | 81.3 Ų | 81.3 | 68% | 0.675 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 129.6 | 171.1 | 26.4 | -31.5 | 0 | 0 | 0 | 110.5 | ||
| 705 | E | 72.4 | Confident | 79.6 | Confident | 182 Ų | 182 | 81.8 Ų | 81.8 | 85% | 0.85 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 136.7 | 175.8 | -67 | -176.6 | 179.7 | 0 | 0 | 110.4 | C703 | C703-E705 PolarHBondContact O-N 2.73Š|
| 706 | P | 67 | Low | 79.2 | Confident | 115 Ų | 115 | 84.6 Ų | 84.6 | 75% | 0.747 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 146.1 | 176.1 | 26.6 | -32.7 | 0 | 0 | 0 | 110.7 | N708 | P706-N708 PolarHBondContact O-N 2.73Š|
| 707 | P | 65.2 | Low | 78.9 | Confident | 99 Ų | 99 | 89.5 Ų | 89.5 | 64% | 0.643 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 136.2 | 177.5 | 25.2 | -32.7 | 0 | 0 | 0 | 110.4 | V709 I712 | P707-V709 PolarHBondContact O-N 2.9Å; P707-I712 HydrophobicContact CB-CD1 4.3Å |
| 708 | N | 72.5 | Confident | 78.7 | Confident | 103 Ų | 103 | 92.1 Ų | 92.1 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | trans | -71.7 | 90.2 | 179.9 | -171.5 | -26.5 | 0 | 0 | 0 | 110.6 | P706 I710 A711 I712 | P706-N708 PolarHBondContact O-N 2.73Å; N708-I710 PolarHBondContact O-N 2.92Å; N708-I710 WeakPolarHBondContact OD1-CB 3.38Å; N708-I710 PolarHBondContact OD1-N 2.81Å; N708-A711 HydrophobicContact CB-CB 4.05Å; N708-A711 PolarHBondContact O-N 3.04Å; N708-A711 VanDerWaalsContact O-N 3.09Å; N708-A711 PolarHBondContact OD1-N 3.12Å; N708-A711 VanDerWaalsContact OD1-N 3.11Å; N708-I712 PolarHBondContact O-N 3.44Å | ||
| 709 | V | 71.5 | Confident | 78.5 | Confident | 90 Ų | 90 | 93 Ų | 93 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -55.7 | -35.5 | -178.8 | -178.9 | 0 | 0 | 0 | 0 | 111.8 | P707 I712 I713 | P707-V709 PolarHBondContact O-N 2.9Å; V709-I712 PolarHBondContact O-N 3.32Å; V709-I713 HydrophobicContact CG1-CD1 3.66Å; V709-I713 HydrophobicContact CG1-CG1 4.28Å; V709-I713 WeakPolarHBondContact O-CB 3.46Å; V709-I713 VanDerWaalsContact O-CG1 3.29Å; V709-I713 WeakPolarHBondContact O-CG1 3.01Å; V709-I713 PolarHBondContact O-N 2.94Å |
| 710 | I | 76.6 | Confident | 78.9 | Confident | 136 Ų | 136 | 94.3 Ų | 94.3 | 70% | 0.697 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.5 | -42.6 | 179.1 | -61.3 | 174.8 | 0 | 0 | 0 | 110.6 | N708 I712 I713 A714 | N708-I710 PolarHBondContact O-N 2.92Å; N708-I710 WeakPolarHBondContact OD1-CB 3.38Å; N708-I710 PolarHBondContact OD1-N 2.81Å; I710-I712 VanDerWaalsContact C-N 3.34Å; I710-I712 PolarHBondContact O-N 2.7Å; I710-I713 PolarHBondContact O-N 3.1Å; I710-A714 WeakPolarHBondContact O-CB 3.48Å; I710-A714 PolarHBondContact O-N 2.66Å |
| 711 | A | 75.5 | Confident | 79.2 | Confident | 56 Ų | 56 | 88.7 Ų | 88.7 | 46% | 0.463 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N708 G715 | N708-A711 HydrophobicContact CB-CB 4.05Å; N708-A711 PolarHBondContact O-N 3.04Å; N708-A711 VanDerWaalsContact O-N 3.09Å; N708-A711 PolarHBondContact OD1-N 3.12Å; N708-A711 VanDerWaalsContact OD1-N 3.11Å; A711-G715 PolarHBondContact O-N 2.88Å |
| 712 | I | 77.3 | Confident | 79.6 | Confident | 106 Ų | 106 | 89 Ų | 89 | 54% | 0.544 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.5 | -45.8 | 177.9 | -63.4 | 170.5 | 0 | 0 | 0 | 110.8 | P707 N708 V709 I710 S716 | P707-I712 HydrophobicContact CB-CD1 4.3Å; N708-I712 PolarHBondContact O-N 3.44Å; V709-I712 PolarHBondContact O-N 3.32Å; I710-I712 VanDerWaalsContact C-N 3.34Å; I710-I712 PolarHBondContact O-N 2.7Å; I712-S716 WeakPolarHBondContact O-CB 3.47Å; I712-S716 PolarHBondContact O-N 2.7Å; I712-S716 PolarHBondContact O-OG 3.14Å |
| 713 | I | 80.1 | Confident | 80 | Confident | 91 Ų | 91 | 89.3 Ų | 89.3 | 47% | 0.467 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.6 | -44.7 | 178.5 | -67.3 | 172.5 | 0 | 0 | 0 | 111 | V709 I710 S716 L717 | V709-I713 HydrophobicContact CG1-CD1 3.66Å; V709-I713 HydrophobicContact CG1-CG1 4.28Å; V709-I713 WeakPolarHBondContact O-CB 3.46Å; V709-I713 VanDerWaalsContact O-CG1 3.29Å; V709-I713 WeakPolarHBondContact O-CG1 3.01Å; V709-I713 PolarHBondContact O-N 2.94Å; I710-I713 PolarHBondContact O-N 3.1Å; I713-S716 WeakPolarHBondContact CA-OG 3.23Å; I713-S716 PolarHBondContact O-N 3.25Å; I713-S716 PolarHBondContact O-OG 2.7Å; I713-L717 HydrophobicContact CG2-CD1 3.86Å; I713-L717 WeakPolarHBondContact O-CB 3.28Å; I713-L717 WeakPolarHBondContact O-CG 3.32Å; I713-L717 PolarHBondContact O-N 2.98Å |
| 714 | A | 78.6 | Confident | 80.4 | Confident | 55 Ų | 55 | 87.8 Ų | 87.8 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | I710 A718 | I710-A714 WeakPolarHBondContact O-CB 3.48Å; I710-A714 PolarHBondContact O-N 2.66Å; A714-A718 WeakPolarHBondContact O-CB 3.29Å; A714-A718 PolarHBondContact O-N 2.03Å |
| 715 | G | 83.3 | Confident | 81.2 | Confident | 43 Ų | 43 | 87.4 Ų | 87.4 | 44% | 0.443 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | A711 A719 | A711-G715 PolarHBondContact O-N 2.88Å; G715-A719 WeakPolarHBondContact O-CB 3.03Å; G715-A719 PolarHBondContact O-N 3.34Å |
| 716 | S | 82.4 | Confident | 82 | Confident | 63 Ų | 63 | 83.8 Ų | 83.8 | 44% | 0.441 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.7 | -41.3 | 177.6 | 47 | 0 | 0 | 0 | 0 | 112.6 | I712 I713 A719 V720 | I712-S716 WeakPolarHBondContact O-CB 3.47Å; I712-S716 PolarHBondContact O-N 2.7Å; I712-S716 PolarHBondContact O-OG 3.14Å; I713-S716 WeakPolarHBondContact CA-OG 3.23Å; I713-S716 PolarHBondContact O-N 3.25Å; I713-S716 PolarHBondContact O-OG 2.7Å; S716-A719 PolarHBondContact O-N 3.25Å; S716-V720 WeakPolarHBondContact O-CG2 3.09Å; S716-V720 PolarHBondContact O-N 3.12Å |
| 717 | L | 86 | Confident | 83.1 | Confident | 118 Ų | 118 | 83.2 Ų | 83.2 | 62% | 0.618 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64 | -42 | 174.8 | -76 | 166.1 | 0 | 0 | 0 | 112.5 | I713 V720 A721 | I713-L717 HydrophobicContact CG2-CD1 3.86Å; I713-L717 WeakPolarHBondContact O-CB 3.28Å; I713-L717 WeakPolarHBondContact O-CG 3.32Å; I713-L717 PolarHBondContact O-N 2.98Å; L717-V720 PolarHBondContact O-N 3.18Å; L717-A721 PolarHBondContact O-N 3.24Å; L717-A721 VanDerWaalsContact O-N 3.12Å |
| 718 | A | 86.5 | Confident | 84.3 | Confident | 55 Ų | 55 | 84.5 Ų | 84.5 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A714 V720 A721 V722 | A714-A718 WeakPolarHBondContact O-CB 3.29Å; A714-A718 PolarHBondContact O-N 2.03Å; A718-V720 PolarHBondContact O-N 3.18Å; A718-A721 PolarHBondContact O-N 3.07Å; A718-V722 WeakPolarHBondContact O-CG2 3.31Å; A718-V722 PolarHBondContact O-N 3.1Å |
| 719 | A | 87.2 | Confident | 85 | Confident | 50 Ų | 50 | 85.3 Ų | 85.3 | 41% | 0.413 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G715 S716 A721 V722 I723 | G715-A719 WeakPolarHBondContact O-CB 3.03Å; G715-A719 PolarHBondContact O-N 3.34Å; S716-A719 PolarHBondContact O-N 3.25Å; A719-A721 PolarHBondContact O-N 3.27Å; A719-V722 PolarHBondContact O-N 2.98Å; A719-I723 WeakPolarHBondContact O-CG1 3.35Å; A719-I723 PolarHBondContact O-N 3Å; A719-I723 VanDerWaalsContact O-N 3.09Å |
| 720 | V | 91.4 | Very high | 85.9 | Confident | 105 Ų | 105 | 85.9 Ų | 85.9 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.3 | -42.3 | 177.6 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | S716 L717 A718 V722 I723 G724 | S716-V720 WeakPolarHBondContact O-CG2 3.09Å; S716-V720 PolarHBondContact O-N 3.12Å; L717-V720 PolarHBondContact O-N 3.18Å; A718-V720 PolarHBondContact O-N 3.18Å; V720-V722 PolarHBondContact O-N 2.84Å; V720-I723 PolarHBondContact O-N 3.1Å; V720-G724 PolarHBondContact O-N 3.06Å |
| 721 | A | 89.1 | Confident | 86.5 | Confident | 55 Ų | 55 | 82.9 Ų | 82.9 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L717 A718 A719 G724 I725 | L717-A721 PolarHBondContact O-N 3.24Å; L717-A721 VanDerWaalsContact O-N 3.12Å; A718-A721 PolarHBondContact O-N 3.07Å; A719-A721 PolarHBondContact O-N 3.27Å; A721-G724 PolarHBondContact O-N 3.3Å; A721-I725 WeakPolarHBondContact O-CG1 3.4Å; A721-I725 PolarHBondContact O-N 2.94Å |
| 722 | V | 90.9 | Very high | 87.3 | Confident | 82 Ų | 82 | 88 Ų | 88 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 178 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | A718 A719 V720 G724 I725 L726 | A718-V722 WeakPolarHBondContact O-CG2 3.31Å; A718-V722 PolarHBondContact O-N 3.1Å; A719-V722 PolarHBondContact O-N 2.98Å; V720-V722 PolarHBondContact O-N 2.84Å; V722-G724 VanDerWaalsContact C-N 3.32Å; V722-G724 PolarHBondContact O-N 3.1Å; V722-I725 PolarHBondContact O-N 3.22Å; V722-L726 HydrophobicContact CG1-CD1 4.07Å; V722-L726 WeakPolarHBondContact O-CG 3.47Å; V722-L726 PolarHBondContact O-N 3.04Å |
| 723 | I | 91.4 | Very high | 87.8 | Confident | 105 Ų | 105 | 87.7 Ų | 87.7 | 54% | 0.538 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 176.4 | -67 | 166.5 | 0 | 0 | 0 | 110.6 | A719 V720 I725 L726 L727 | A719-I723 WeakPolarHBondContact O-CG1 3.35Å; A719-I723 PolarHBondContact O-N 3Å; A719-I723 VanDerWaalsContact O-N 3.09Å; V720-I723 PolarHBondContact O-N 3.1Å; I723-I725 PolarHBondContact O-N 2.98Å; I723-L726 PolarHBondContact O-N 3.24Å; I723-L727 HydrophobicContact CG2-CD1 4.2Å; I723-L727 WeakPolarHBondContact O-CG 3.49Å; I723-L727 PolarHBondContact O-N 2.94Å |
| 724 | G | 89.6 | Confident | 88.2 | Confident | 31 Ų | 31 | 88.1 Ų | 88.1 | 32% | 0.32 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | V720 A721 V722 L727 L728 | V720-G724 PolarHBondContact O-N 3.06Å; A721-G724 PolarHBondContact O-N 3.3Å; V722-G724 VanDerWaalsContact C-N 3.32Å; V722-G724 PolarHBondContact O-N 3.1Å; G724-L727 PolarHBondContact O-N 3.45Å; G724-L728 WeakPolarHBondContact O-CG 2.99Å; G724-L728 PolarHBondContact O-N 3.32Å |
| 725 | I | 90.2 | Very high | 88.7 | Confident | 96 Ų | 96 | 89.9 Ų | 89.9 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -42 | 177.5 | -68.3 | 166.7 | 0 | 0 | 0 | 111.1 | A721 V722 I723 L727 L728 M729 | A721-I725 WeakPolarHBondContact O-CG1 3.4Å; A721-I725 PolarHBondContact O-N 2.94Å; V722-I725 PolarHBondContact O-N 3.22Å; I723-I725 PolarHBondContact O-N 2.98Å; I725-L727 PolarHBondContact O-N 3.08Å; I725-L728 PolarHBondContact O-N 2.76Å; I725-M729 HydrophobicContact CG2-CE 3.81Å; I725-M729 WeakPolarHBondContact O-CG 3.41Å; I725-M729 PolarHBondContact O-N 3.21Å |
| 726 | L | 89.4 | Confident | 88.9 | Confident | 105 Ų | 105 | 93 Ų | 93 | 55% | 0.55 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 177.2 | -74.7 | 170 | 0 | 0 | 0 | 111.8 | V722 I723 M729 L730 | V722-L726 HydrophobicContact CG1-CD1 4.07Å; V722-L726 WeakPolarHBondContact O-CG 3.47Å; V722-L726 PolarHBondContact O-N 3.04Å; I723-L726 PolarHBondContact O-N 3.24Å; L726-M729 PolarHBondContact O-N 3.19Å; L726-L730 WeakPolarHBondContact O-CB 3.48Å; L726-L730 PolarHBondContact O-N 2.03Å |
| 727 | L | 90.3 | Very high | 89.1 | Confident | 104 Ų | 104 | 95.5 Ų | 95.5 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 175.4 | -74.4 | 169.5 | 0 | 0 | 0 | 112 | I723 G724 I725 L730 V731 | I723-L727 HydrophobicContact CG2-CD1 4.2Å; I723-L727 WeakPolarHBondContact O-CG 3.49Å; I723-L727 PolarHBondContact O-N 2.94Å; G724-L727 PolarHBondContact O-N 3.45Å; I725-L727 PolarHBondContact O-N 3.08Å; L727-L730 PolarHBondContact O-N 3.35Å; L727-V731 WeakPolarHBondContact O-CG2 3.36Å; L727-V731 PolarHBondContact O-N 2.96Å |
| 728 | L | 90.1 | Very high | 89.2 | Confident | 125 Ų | 125 | 96.7 Ų | 96.7 | 65% | 0.654 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -40.4 | 176.3 | -72.4 | 173.5 | 0 | 0 | 0 | 112.3 | G724 I725 L730 V731 K732 | G724-L728 WeakPolarHBondContact O-CG 2.99Å; G724-L728 PolarHBondContact O-N 3.32Å; I725-L728 PolarHBondContact O-N 2.76Å; L728-L730 VanDerWaalsContact C-N 3.34Å; L728-V731 PolarHBondContact O-N 2.81Å; L728-K732 WeakPolarHBondContact O-CB 3.3Å; L728-K732 PolarHBondContact O-N 2.91Å |
| 729 | M | 88.3 | Confident | 89.2 | Confident | 121 Ų | 121 | 98.4 Ų | 98.4 | 60% | 0.596 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.8 | -40.5 | 174 | -76.5 | -151.4 | -101.9 | 0 | 0 | 111.8 | I725 L726 K732 L733 | I725-M729 HydrophobicContact CG2-CE 3.81Å; I725-M729 WeakPolarHBondContact O-CG 3.41Å; I725-M729 PolarHBondContact O-N 3.21Å; L726-M729 PolarHBondContact O-N 3.19Å; M729-K732 PolarHBondContact O-N 2.04Å; M729-L733 WeakPolarHBondContact O-CB 3.3Å; M729-L733 PolarHBondContact O-N 3.42Å |
| 730 | L | 89.9 | Confident | 89 | Confident | 101 Ų | 101 | 99.7 Ų | 99.7 | 53% | 0.529 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 177.3 | -162.4 | 119.7 | 0 | 0 | 0 | 111.6 | L726 L727 L728 L733 L734 | L726-L730 WeakPolarHBondContact O-CB 3.48Å; L726-L730 PolarHBondContact O-N 2.03Å; L727-L730 PolarHBondContact O-N 3.35Å; L728-L730 VanDerWaalsContact C-N 3.34Å; L730-L733 WeakPolarHBondContact O-CB 2.96Å; L730-L733 PolarHBondContact O-N 3.21Å; L730-L734 HydrophobicContact CD2-CD1 4.03Å; L730-L734 VanDerWaalsContact O-CG 3.29Å; L730-L734 WeakPolarHBondContact O-CG 3.1Å; L730-L734 PolarHBondContact O-N 3.44Å |
| 731 | V | 89.9 | Confident | 88.8 | Confident | 74 Ų | 74 | 102.6 Ų | 102.6 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 174.4 | 171 | 0 | 0 | 0 | 0 | 111 | L727 L728 L733 L734 I735 | L727-V731 WeakPolarHBondContact O-CG2 3.36Å; L727-V731 PolarHBondContact O-N 2.96Å; L728-V731 PolarHBondContact O-N 2.81Å; V731-L733 VanDerWaalsContact C-N 3.34Å; V731-L733 PolarHBondContact O-N 2.83Å; V731-L734 PolarHBondContact O-N 2.92Å; V731-I735 HydrophobicContact CG1-CD1 3.85Å; V731-I735 HydrophobicContact CG1-CG1 4.48Å; V731-I735 WeakPolarHBondContact O-CG1 3.14Å; V731-I735 PolarHBondContact O-N 3.5Å |
| 732 | K | 90.6 | Very high | 88.5 | Confident | 162 Ų | 162 | 105.1 Ų | 105.1 | 70% | 0.704 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.8 | -38 | 178.1 | -173.1 | 142.4 | -177.7 | 169 | 0 | 112.3 | L728 M729 H736 | L728-K732 WeakPolarHBondContact O-CB 3.3Å; L728-K732 PolarHBondContact O-N 2.91Å; M729-K732 PolarHBondContact O-N 2.04Å; K732-H736 VanDerWaalsContact O-CB 3.3Å; K732-H736 WeakPolarHBondContact O-CB 3.44Å; K732-H736 PolarHBondContact O-N 3.2Å |
| 733 | L | 88.5 | Confident | 88.1 | Confident | 100 Ų | 100 | 106.8 Ų | 106.8 | 52% | 0.524 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 173.5 | -173.8 | 77.8 | 0 | 0 | 0 | 111.2 | M729 L730 V731 H736 M737 | M729-L733 WeakPolarHBondContact O-CB 3.3Å; M729-L733 PolarHBondContact O-N 3.42Å; L730-L733 WeakPolarHBondContact O-CB 2.96Å; L730-L733 PolarHBondContact O-N 3.21Å; V731-L733 VanDerWaalsContact C-N 3.34Å; V731-L733 PolarHBondContact O-N 2.83Å; L733-H736 PolarHBondContact O-N 3.41Å; L733-M737 WeakPolarHBondContact O-CG 3.37Å; L733-M737 PolarHBondContact O-N 3.47Å |
| 734 | L | 88.7 | Confident | 87.7 | Confident | 101 Ų | 101 | 108.2 Ų | 108.2 | 53% | 0.529 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 178.6 | -72.6 | 173.3 | 0 | 0 | 0 | 112.2 | L730 V731 M737 K738 | L730-L734 HydrophobicContact CD2-CD1 4.03Å; L730-L734 VanDerWaalsContact O-CG 3.29Å; L730-L734 WeakPolarHBondContact O-CG 3.1Å; L730-L734 PolarHBondContact O-N 3.44Å; V731-L734 PolarHBondContact O-N 2.92Å; L734-M737 PolarHBondContact O-N 2.98Å; L734-K738 PolarHBondContact O-N 3.33Å |
| 735 | I | 88.4 | Confident | 87.3 | Confident | 92 Ų | 92 | 112.3 Ų | 112.3 | 47% | 0.472 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 174.5 | -67.5 | 169 | 0 | 0 | 0 | 110 | V731 M737 K738 D739 | V731-I735 HydrophobicContact CG1-CD1 3.85Å; V731-I735 HydrophobicContact CG1-CG1 4.48Å; V731-I735 WeakPolarHBondContact O-CG1 3.14Å; V731-I735 PolarHBondContact O-N 3.5Å; I735-M737 VanDerWaalsContact C-N 3.32Å; I735-M737 PolarHBondContact O-N 2.91Å; I735-K738 WeakPolarHBondContact O-CB 3Å; I735-K738 PolarHBondContact O-N 2.94Å; I735-K738 VanDerWaalsContact O-N 3.09Å; I735-D739 PolarHBondContact O-N 3.49Å |
| 736 | H | 87.9 | Confident | 86.8 | Confident | 107 Ų | 107 | 113.8 Ų | 113.8 | 50% | 0.495 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.1 | -39.2 | 179.2 | -174.5 | 59.4 | 0 | 0 | 0 | 112.9 | K732 L733 D739 L740 | K732-H736 VanDerWaalsContact O-CB 3.3Å; K732-H736 WeakPolarHBondContact O-CB 3.44Å; K732-H736 PolarHBondContact O-N 3.2Å; L733-H736 PolarHBondContact O-N 3.41Å; H736-D739 PolarHBondContact O-N 3.21Å; H736-L740 WeakPolarHBondContact NE2-CD1 3.32Å; H736-L740 WeakPolarHBondContact O-CB 3.32Å; H736-L740 WeakPolarHBondContact O-CG 3.12Å; H736-L740 PolarHBondContact O-N 3.17Å |
| 737 | M | 86.8 | Confident | 86.3 | Confident | 116 Ų | 116 | 112.7 Ų | 112.7 | 57% | 0.571 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.4 | -39.3 | 174.4 | -74.3 | -176.9 | 68 | 0 | 0 | 112.3 | L733 L734 I735 K741 | L733-M737 WeakPolarHBondContact O-CG 3.37Å; L733-M737 PolarHBondContact O-N 3.47Å; L734-M737 PolarHBondContact O-N 2.98Å; I735-M737 VanDerWaalsContact C-N 3.32Å; I735-M737 PolarHBondContact O-N 2.91Å; M737-K741 WeakPolarHBondContact O-CB 3.02Å; M737-K741 PolarHBondContact O-N 3.27Å |
| 738 | K | 88 | Confident | 85.6 | Confident | 143 Ų | 143 | 112.2 Ų | 112.2 | 62% | 0.622 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.4 | -45.6 | 175.6 | -171.9 | 177.9 | 177.2 | -179.9 | 0 | 110.9 | L734 I735 L740 K741 E742 | L734-K738 PolarHBondContact O-N 3.33Å; I735-K738 WeakPolarHBondContact O-CB 3Å; I735-K738 PolarHBondContact O-N 2.94Å; I735-K738 VanDerWaalsContact O-N 3.09Å; K738-L740 PolarHBondContact O-N 2.99Å; K738-K741 WeakPolarHBondContact O-CB 3.45Å; K738-K741 PolarHBondContact O-N 3.09Å; K738-K741 VanDerWaalsContact O-N 3.12Å; K738-E742 WeakPolarHBondContact O-CB 3.36Å; K738-E742 WeakPolarHBondContact O-CG 3.37Å; K738-E742 PolarHBondContact O-N 2.82Å |
| 739 | D | 85.8 | Confident | 84.9 | Confident | 92 Ų | 92 | 111.3 Ų | 111.3 | 49% | 0.492 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 177.1 | -70.8 | -13.4 | 0 | 0 | 0 | 111.7 | I735 H736 K741 E742 F743 | I735-D739 PolarHBondContact O-N 3.49Å; H736-D739 PolarHBondContact O-N 3.21Å; D739-K741 VanDerWaalsContact C-N 3.29Å; D739-K741 PolarHBondContact O-N 3.07Å; D739-E742 PolarHBondContact O-N 3.11Å; D739-F743 WeakPolarHBondContact O-CB 3.42Å; D739-F743 PolarHBondContact O-N 3.22Å |
| 740 | L | 84.8 | Confident | 83.9 | Confident | 77 Ų | 77 | 112.6 Ų | 112.6 | 40% | 0.403 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.4 | -36.2 | 173.6 | -88 | 165.4 | 0 | 0 | 0 | 112.5 | H736 K738 K744 | H736-L740 WeakPolarHBondContact NE2-CD1 3.32Å; H736-L740 WeakPolarHBondContact O-CB 3.32Å; H736-L740 WeakPolarHBondContact O-CG 3.12Å; H736-L740 PolarHBondContact O-N 3.17Å; K738-L740 PolarHBondContact O-N 2.99Å; L740-K744 WeakPolarHBondContact O-CB 3.31Å; L740-K744 WeakPolarHBondContact O-CG 3.36Å; L740-K744 PolarHBondContact O-N 3.12Å |
| 741 | K | 85.3 | Confident | 83 | Confident | 165 Ų | 165 | 115.1 Ų | 115.1 | 72% | 0.717 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -72.6 | -44 | 178.1 | -167.7 | 177 | -178.8 | 179.1 | 0 | 111.3 | M737 K738 D739 K744 K745 | M737-K741 WeakPolarHBondContact O-CB 3.02Å; M737-K741 PolarHBondContact O-N 3.27Å; K738-K741 WeakPolarHBondContact O-CB 3.45Å; K738-K741 PolarHBondContact O-N 3.09Å; K738-K741 VanDerWaalsContact O-N 3.12Å; D739-K741 VanDerWaalsContact C-N 3.29Å; D739-K741 PolarHBondContact O-N 3.07Å; K741-K744 PolarHBondContact O-N 3.14Å; K741-K745 WeakPolarHBondContact O-CB 3.24Å; K741-K745 PolarHBondContact O-N 2.61Å |
| 742 | E | 83.9 | Confident | 81.6 | Confident | 108 Ų | 108 | 120.1 Ų | 120.1 | 51% | 0.505 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61 | -44.7 | 172.7 | -74.1 | -83.5 | 143.1 | 0 | 0 | 111 | K738 D739 K744 K745 F746 | K738-E742 WeakPolarHBondContact O-CB 3.36Å; K738-E742 WeakPolarHBondContact O-CG 3.37Å; K738-E742 PolarHBondContact O-N 2.82Å; D739-E742 PolarHBondContact O-N 3.11Å; E742-K744 PolarHBondContact O-N 3.48Å; E742-K745 CarbonylContact O-C 3.54Å; E742-K745 WeakPolarHBondContact O-CB 3.23Å; E742-K745 PolarHBondContact O-N 3.47Å; E742-K745 VanDerWaalsContact O-N 3.13Å; E742-F746 WeakPolarHBondContact O-CB 3.42Å; E742-F746 PolarHBondContact O-N 3.29Å |
| 743 | F | 82.8 | Confident | 79.8 | Confident | 118 Ų | 118 | 115.2 Ų | 115.2 | 52% | 0.518 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 177.8 | -176.7 | -98.5 | 0 | 0 | 0 | 112.2 | D739 K745 F746 E747 | D739-F743 WeakPolarHBondContact O-CB 3.42Å; D739-F743 PolarHBondContact O-N 3.22Å; F743-K745 VanDerWaalsContact C-N 3.31Å; F743-K745 PolarHBondContact O-N 2.75Å; F743-F746 PolarHBondContact O-N 2.94Å; F743-E747 HydrophobicContact CE1-CG 4.17Å; F743-E747 HydrophobicContact CZ-CG 4.34Å; F743-E747 PolarHBondContact O-N 2.93Å |
| 744 | K | 83.5 | Confident | 78.1 | Confident | 134 Ų | 134 | 120.3 Ų | 120.3 | 58% | 0.583 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.8 | -36.2 | 173.5 | -76.7 | 176.8 | -179.4 | 177.9 | 0 | 112.3 | L740 K741 E742 N748 | L740-K744 WeakPolarHBondContact O-CB 3.31Å; L740-K744 WeakPolarHBondContact O-CG 3.36Å; L740-K744 PolarHBondContact O-N 3.12Å; K741-K744 PolarHBondContact O-N 3.14Å; E742-K744 PolarHBondContact O-N 3.48Å; K744-N748 WeakPolarHBondContact O-CB 3.44Å; K744-N748 PolarHBondContact O-N 3.5Å; K744-N748 VanDerWaalsContact O-N 3.11Å; K744-N748 PolarHBondContact O-ND2 3.04Å |
| 745 | K | 81.3 | Confident | 76.4 | Confident | 117 Ų | 117 | 126.1 Ų | 126.1 | 51% | 0.509 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.5 | -46.1 | 174.7 | -172.5 | -174.2 | 174.6 | -163.3 | 0 | 110.7 | K741 E742 F743 N748 E749 | K741-K745 WeakPolarHBondContact O-CB 3.24Å; K741-K745 PolarHBondContact O-N 2.61Å; E742-K745 CarbonylContact O-C 3.54Å; E742-K745 WeakPolarHBondContact O-CB 3.23Å; E742-K745 PolarHBondContact O-N 3.47Å; E742-K745 VanDerWaalsContact O-N 3.13Å; F743-K745 VanDerWaalsContact C-N 3.31Å; F743-K745 PolarHBondContact O-N 2.75Å; K745-N748 PolarHBondContact O-N 3.4Å; K745-E749 VanDerWaalsContact CE-OE1 3.23Å; K745-E749 WeakPolarHBondContact CE-OE1 3.4Å; K745-E749 WeakPolarHBondContact O-CG 3.43Å; K745-E749 PolarHBondContact O-N 3.36Å |
| 746 | F | 79.7 | Confident | 74.4 | Confident | 127 Ų | 127 | 125.8 Ų | 125.8 | 56% | 0.557 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -60.9 | -44.3 | 175.9 | 179.7 | -101.4 | 0 | 0 | 0 | 112.6 | E742 F743 N748 E749 K750 | E742-F746 WeakPolarHBondContact O-CB 3.42Å; E742-F746 PolarHBondContact O-N 3.29Å; F743-F746 PolarHBondContact O-N 2.94Å; F746-N748 VanDerWaalsContact C-N 3.32Å; F746-N748 PolarHBondContact O-N 3.01Å; F746-E749 PolarHBondContact O-N 3.2Å; F746-K750 WeakPolarHBondContact O-CB 3.4Å; F746-K750 PolarHBondContact O-N 3.36Å |
| 747 | E | 78.5 | Confident | 72.7 | Confident | 83 Ų | 83 | 129 Ų | 129 | 39% | 0.388 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.4 | -39.7 | 174.2 | -89.4 | -143.9 | 153.4 | 0 | 0 | 112.6 | F743 K750 K751 | F743-E747 HydrophobicContact CE1-CG 4.17Å; F743-E747 HydrophobicContact CZ-CG 4.34Å; F743-E747 PolarHBondContact O-N 2.93Å; E747-K750 PolarHBondContact O-N 2.56Å; E747-K751 WeakPolarHBondContact O-CG 3.31Å; E747-K751 PolarHBondContact O-N 3.04Å; E747-K751 IonicContact OE2-NZ 3.82Å |
| 748 | N | 75.5 | Confident | 70.8 | Confident | 94 Ų | 94 | 127.8 Ų | 127.8 | 50% | 0.503 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.7 | -36.4 | 177.1 | -79.1 | -21.4 | 0 | 0 | 0 | 112.1 | K744 K745 F746 K752 | K744-N748 WeakPolarHBondContact O-CB 3.44Å; K744-N748 PolarHBondContact O-N 3.5Å; K744-N748 VanDerWaalsContact O-N 3.11Å; K744-N748 PolarHBondContact O-ND2 3.04Å; K745-N748 PolarHBondContact O-N 3.4Å; F746-N748 VanDerWaalsContact C-N 3.32Å; F746-N748 PolarHBondContact O-N 3.01Å; N748-K752 WeakPolarHBondContact O-CG 3.42Å; N748-K752 PolarHBondContact O-N 3.05Å; N748-K752 VanDerWaalsContact O-N 3.17Å |
| 749 | E | 74 | Confident | 69 | Low | 105 Ų | 105 | 128.8 Ų | 128.8 | 49% | 0.491 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.6 | -42 | 172.8 | -74.3 | 174.4 | -176.6 | 0 | 0 | 111.3 | K745 F746 K751 K752 S753 | K745-E749 VanDerWaalsContact CE-OE1 3.23Å; K745-E749 WeakPolarHBondContact CE-OE1 3.4Å; K745-E749 WeakPolarHBondContact O-CG 3.43Å; K745-E749 PolarHBondContact O-N 3.36Å; F746-E749 PolarHBondContact O-N 3.2Å; E749-K751 PolarHBondContact O-N 3Å; E749-K752 CarbonylContact O-C 3.6Å; E749-K752 PolarHBondContact O-N 3.38Å; E749-S753 PolarHBondContact O-N 3.28Å |
| 750 | K | 69.1 | Low | 67.4 | Low | 148 Ų | 148 | 129.7 Ų | 129.7 | 64% | 0.643 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -60.5 | -41 | 173.6 | -173.6 | -178.8 | 176.9 | -179.5 | 0 | 112.3 | F746 E747 K752 S753 | F746-K750 WeakPolarHBondContact O-CB 3.4Å; F746-K750 PolarHBondContact O-N 3.36Å; E747-K750 PolarHBondContact O-N 2.56Å; K750-K752 VanDerWaalsContact C-N 3.26Å; K750-K752 PolarHBondContact O-N 3.24Å; K750-S753 PolarHBondContact O-N 3.14Å; K750-S753 PolarHBondContact O-OG 3.01Å |
| 751 | K | 69.1 | Low | 66 | Low | 155 Ų | 155 | 131.9 Ų | 131.9 | 67% | 0.674 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.6 | -23.6 | 174.8 | -74.8 | 173.5 | -176.3 | 165.8 | 0 | 113 | E747 E749 | E747-K751 WeakPolarHBondContact O-CG 3.31Å; E747-K751 PolarHBondContact O-N 3.04Å; E747-K751 IonicContact OE2-NZ 3.82Å; E749-K751 PolarHBondContact O-N 3Å |
| 752 | K | 61.6 | Low | 64.5 | Low | 179 Ų | 179 | 131.6 Ų | 131.6 | 78% | 0.778 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -89.9 | -17.9 | 176.6 | -74.9 | 179.2 | 179.2 | -177 | 0 | 113.7 | N748 E749 K750 K754 | N748-K752 WeakPolarHBondContact O-CG 3.42Å; N748-K752 PolarHBondContact O-N 3.05Å; N748-K752 VanDerWaalsContact O-N 3.17Å; E749-K752 CarbonylContact O-C 3.6Å; E749-K752 PolarHBondContact O-N 3.38Å; K750-K752 VanDerWaalsContact C-N 3.26Å; K750-K752 PolarHBondContact O-N 3.24Å; K752-K754 PolarHBondContact O-N 2.95Å |
| 753 | S | 52.3 | Low | 63.2 | Low | 59 Ų | 59 | 133.6 Ų | 133.6 | 41% | 0.413 | 66% | 0.664 | S | S | . | * | trans | -77.7 | 89.8 | 174.3 | 76.8 | 0 | 0 | 0 | 0 | 110.5 | E749 K750 W755 | E749-S753 PolarHBondContact O-N 3.28Å; K750-S753 PolarHBondContact O-N 3.14Å; K750-S753 PolarHBondContact O-OG 3.01Å; S753-W755 PolarHBondContact O-N 3.1Å | ||
| 754 | K | 52.3 | Low | 62 | Low | 206 Ų | 206 | 136.6 Ų | 136.6 | 90% | 0.896 | 68% | 0.68 | S | S | * | * | trans | -70.4 | 104 | 154.8 | -80.4 | -176.2 | 174.9 | -178.4 | 0 | 107.3 | K752 A756 | K752-K754 PolarHBondContact O-N 2.95Å; K754-A756 PolarHBondContact O-N 3.45Å | ||
| 755 | W | 54.9 | Low | 60.6 | Low | 223 Ų | 223 | 136 Ų | 136 | 85% | 0.845 | 68% | 0.683 | S | S | * | * | trans | -72.6 | 118.7 | 165.6 | -78.1 | 59 | 0 | 0 | 0 | 107.9 | S753 | S753-W755 PolarHBondContact O-N 3.1Š| ||
| 756 | A | 44.9 | Very low | 59.2 | Low | 86 Ų | 86 | 136.2 Ų | 136.2 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | trans | -67 | 131.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | K754 A758 | K754-A756 PolarHBondContact O-N 3.45Å; A756-A758 PolarHBondContact O-N 3.05Å | ||
| 757 | N | 53.8 | Low | 58.1 | Low | 174 Ų | 174 | 135.6 Ų | 135.6 | 93% | 0.93 | 70% | 0.703 | S | S | * | * | trans | -62.7 | 103.4 | 168.7 | -74.9 | -19 | 0 | 0 | 0 | 108.2 | ||||
| 758 | A | 45.1 | Very low | 57 | Low | 90 Ų | 90 | 138 Ų | 138 | 74% | 0.744 | 72% | 0.724 | S | S | * | * | trans | -128.9 | 115.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | A756 | A756-A758 PolarHBondContact O-N 3.05Š| ||
| 759 | D | 50.8 | Low | 56.4 | Low | 165 Ų | 165 | 140.2 Ų | 140.2 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | trans | -62.7 | 143.7 | -179.3 | -72.5 | -48.8 | 0 | 0 | 0 | 112.2 | ||||
| 760 | N | 51.9 | Low | 55.7 | Low | 111 Ų | 111 | 141.5 Ų | 141.5 | 59% | 0.594 | 76% | 0.755 | S | S | * | * | trans | -76.8 | 119.4 | -177.1 | 179.7 | -3.6 | 0 | 0 | 0 | 111.2 | L762 | N760-L762 PolarHBondContact O-N 3.39Å; N760-L762 PolarHBondContact OD1-N 3.47Å | ||
| 761 | P | 55.7 | Low | 54.9 | Low | 123 Ų | 123 | 138.7 Ų | 138.7 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 10 | -173.7 | 29.4 | -34 | 0 | 0 | 0 | 115.7 | ||
| 762 | L | 54.6 | Low | 54.1 | Low | 158 Ų | 158 | 136.5 Ų | 136.5 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | 9.8 | -177.9 | -74.4 | 165 | 0 | 0 | 0 | 114.5 | N760 | N760-L762 PolarHBondContact O-N 3.39Å; N760-L762 PolarHBondContact OD1-N 3.47Å |
| 763 | F | 55.1 | Low | 54 | Low | 150 Ų | 150 | 134.2 Ų | 134.2 | 66% | 0.658 | 76% | 0.759 | S | S | * | * | trans | -102.4 | 111.8 | 178.2 | -170.2 | -100.6 | 0 | 0 | 0 | 111.3 | ||||
| 764 | Q | 57.6 | Low | 54.1 | Low | 182 Ų | 182 | 138.7 Ų | 138.7 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -105.3 | 125.3 | 168.9 | -73.9 | -170.4 | -2.5 | 0 | 0 | 109.9 | ||||
| 765 | N | 55.4 | Low | 54.2 | Low | 121 Ų | 121 | 137 Ų | 137 | 65% | 0.647 | 77% | 0.77 | S | S | * | * | trans | -75.9 | 132 | 177.8 | -122.2 | -12.7 | 0 | 0 | 0 | 110.2 | T767 | N765-T767 VanDerWaalsContact C-N 3.25Å; N765-T767 PolarHBondContact O-N 3.17Å; N765-T767 VanDerWaalsContact O-N 3.14Å | ||
| 766 | P | 51.8 | Low | 54.2 | Low | 122 Ų | 122 | 133.1 Ų | 133.1 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | trans | -85.7 | 27.6 | -172.1 | 34.4 | -35.1 | 0 | 0 | 0 | 114.5 | ||||
| 767 | T | 56.6 | Low | 54.5 | Low | 114 Ų | 114 | 131.5 Ų | 131.5 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | -117.2 | 106.2 | -175.5 | -13.5 | 0 | 0 | 0 | 0 | 110.8 | N765 | N765-T767 VanDerWaalsContact C-N 3.25Å; N765-T767 PolarHBondContact O-N 3.17Å; N765-T767 VanDerWaalsContact O-N 3.14Å | ||
| 768 | T | 56.1 | Low | 53.9 | Low | 134 Ų | 134 | 136.4 Ų | 136.4 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -93.9 | 110.4 | 174.6 | 36.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 769 | T | 61.9 | Low | 54.4 | Low | 139 Ų | 139 | 138.7 Ų | 138.7 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -90.1 | 117.6 | 169.3 | -42.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 770 | V | 58.7 | Low | 54.6 | Low | 132 Ų | 132 | 137.3 Ų | 137.3 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -102 | 115.5 | 178.9 | -170.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 771 | A | 52.5 | Low | 54.7 | Low | 89 Ų | 89 | 138.8 Ų | 138.8 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -82.4 | 123 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P773 | A771-P773 VanDerWaalsContact O-CD 3.31Å; A771-P773 WeakPolarHBondContact O-CD 3.46Å | ||
| 772 | N | 53.7 | Low | 54.7 | Low | 110 Ų | 110 | 139.7 Ų | 139.7 | 59% | 0.588 | 79% | 0.786 | S | S | * | * | trans | -79.7 | 115.5 | 177.3 | -179 | -2.2 | 0 | 0 | 0 | 110.4 | L774 | N772-L774 PolarHBondContact O-N 3.36Å; N772-L774 PolarHBondContact OD1-N 2.93Å | ||
| 773 | P | 59.6 | Low | 54.7 | Low | 130 Ų | 130 | 138.6 Ų | 138.6 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 2.9 | -179 | -12 | 28.4 | 0 | 0 | 0 | 115.1 | A771 | A771-P773 VanDerWaalsContact O-CD 3.31Å; A771-P773 WeakPolarHBondContact O-CD 3.46Å |
| 774 | L | 52.5 | Low | 54.6 | Low | 154 Ų | 154 | 137.8 Ų | 137.8 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | 12 | -178.4 | -83.6 | 162 | 0 | 0 | 0 | 114.4 | N772 T776 | N772-L774 PolarHBondContact O-N 3.36Å; N772-L774 PolarHBondContact OD1-N 2.93Å; L774-T776 PolarHBondContact O-N 3.08Å |
| 775 | F | 54.8 | Low | 54.4 | Low | 171 Ų | 171 | 134.6 Ų | 134.6 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | trans | -91.7 | 93.7 | 175.8 | -165.4 | -100.6 | 0 | 0 | 0 | 111.4 | ||||
| 776 | T | 54.6 | Low | 54.3 | Low | 141 Ų | 141 | 135.7 Ų | 135.7 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | trans | -92.1 | 111.1 | 157.1 | 49.4 | 0 | 0 | 0 | 0 | 108 | L774 | L774-T776 PolarHBondContact O-N 3.08Š| ||
| 777 | G | 52.8 | Low | 54.6 | Low | 52 Ų | 52 | 136.8 Ų | 136.8 | 54% | 0.536 | 80% | 0.799 | S | S | . | * | trans | -123.3 | 115.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 778 | E | 41 | Very low | 54.4 | Low | 276 Ų | 276 | 138.9 Ų | 138.9 | 100% | 1.29 | 81% | 0.808 | S | S | * | * | trans | -56 | 0 | 156.8 | -68.6 | -179.8 | 145.6 | 0 | 0 | 111.9 |
Retrieved 778 of 778 residues in 1270.1 ms
(Link to these results)