| 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 | 38.1 | Very low | 49.4 | Very low | 242 Ų | 242 | 143.5 Ų | 143.5 | 100% | 1.192 | 74% | 0.739 | S | S | * | * | 0 | 75.1 | 0 | -61.4 | -170.9 | -65.6 | 0 | 0 | 107.7 | |||||
| 2 | A | 43.9 | Very low | 51.2 | Low | 98 Ų | 98 | 141.1 Ų | 141.1 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | trans | -152.5 | 25.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 3 | E | 44.2 | Very low | 52.9 | Low | 183 Ų | 183 | 133.4 Ų | 133.4 | 86% | 0.855 | 69% | 0.686 | S | S | * | * | trans | -121.7 | 7.4 | -177.6 | -64.9 | -177 | -176.8 | 0 | 0 | 112.2 | ||||
| 4 | E | 51.5 | Low | 54.7 | Low | 162 Ų | 162 | 130.3 Ų | 130.3 | 76% | 0.757 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -91.5 | -12.6 | -167.2 | -152.8 | 162 | -157.2 | 0 | 0 | 113.6 | ||
| 5 | I | 49.8 | Very low | 56.3 | Low | 141 Ų | 141 | 130.7 Ų | 130.7 | 72% | 0.723 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -91.4 | -17 | -173.7 | -49.7 | 177.1 | 0 | 0 | 0 | 112.3 | ||
| 6 | L | 48.7 | Very low | 57.3 | Low | 153 Ų | 153 | 128.3 Ų | 128.3 | 80% | 0.801 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -82.7 | -21.9 | -176.4 | -162.2 | 67 | 0 | 0 | 0 | 113.3 | ||
| 7 | N | 48 | Very low | 59 | Low | 130 Ų | 130 | 122.1 Ų | 122.1 | 70% | 0.695 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -79.6 | -23.2 | -178.9 | -97.6 | -5.5 | 0 | 0 | 0 | 113.9 | F9 Y10 | N7-F9 PolarHBondContact O-N 3.42Å; N7-F9 VanDerWaalsContact O-N 3.14Å; N7-Y10 PolarHBondContact O-N 3.39Å; N7-Y10 VanDerWaalsContact O-N 3.14Å |
| 8 | D | 47.2 | Very low | 60.4 | Low | 143 Ų | 143 | 120.6 Ų | 120.6 | 77% | 0.765 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -68.4 | -13.4 | -176 | -77.6 | -15.7 | 0 | 0 | 0 | 114 | ||
| 9 | F | 52.1 | Low | 61.5 | Low | 157 Ų | 157 | 122.5 Ų | 122.5 | 69% | 0.689 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -92 | -7.4 | 175.6 | -77.2 | -82.6 | 0 | 0 | 0 | 114.4 | N7 P11 | N7-F9 PolarHBondContact O-N 3.42Å; N7-F9 VanDerWaalsContact O-N 3.14Å; F9-P11 WeakPolarHBondContact O-CD 3.44Å |
| 10 | Y | 56.3 | Low | 62.2 | Low | 103 Ų | 103 | 119.5 Ų | 119.5 | 40% | 0.404 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -120.9 | 84.7 | -177.4 | -141 | -94.6 | 0 | 0 | 0 | 110.8 | N7 D12 K33 | N7-Y10 PolarHBondContact O-N 3.39Å; N7-Y10 VanDerWaalsContact O-N 3.14Å; Y10-D12 PolarHBondContact O-N 3.34Å; Y10-D12 VanDerWaalsContact O-N 3.15Å; Y10-K33 HydrophobicContact CE2-CB 4.05Å; Y10-K33 HydrophobicContact CE2-CG 4.42Å |
| 11 | P | 63.5 | Low | 63.2 | Low | 67 Ų | 67 | 117 Ų | 117 | 44% | 0.435 | 62% | 0.621 | S | S | . | * | trans | -61.4 | 120.9 | 177.3 | 25.2 | -32.9 | 0 | 0 | 0 | 109.7 | F9 F13 M32 | F9-P11 WeakPolarHBondContact O-CD 3.44Å; P11-F13 HydrophobicContact CG-CE2 4.07Å; P11-F13 HydrophobicContact CG-CZ 4.02Å; P11-F13 WeakPolarHBondContact O-CD2 3.36Å; P11-F13 WeakPolarHBondContact O-CE2 3.23Å; P11-F13 PolarHBondContact O-N 2.97Å; P11-M32 HydrophobicContact CG-CE 3.62Å | ||
| 12 | D | 71.7 | Confident | 64.9 | Low | 114 Ų | 114 | 110.5 Ų | 110.5 | 61% | 0.61 | 58% | 0.583 | S | S | * | * | trans | -70.1 | 106.6 | 178.4 | -176.1 | 8.2 | 0 | 0 | 0 | 110.4 | Y10 N14 | Y10-D12 PolarHBondContact O-N 3.34Å; Y10-D12 VanDerWaalsContact O-N 3.15Å; D12-N14 VanDerWaalsContact CG-ND2 3.31Å; D12-N14 PolarHBondContact O-N 3.36Å; D12-N14 VanDerWaalsContact OD1-CB 3.28Å; D12-N14 WeakPolarHBondContact OD1-CB 3.37Å; D12-N14 PolarHBondContact OD1-N 3.21Å; D12-N14 PolarHBondContact OD1-ND2 3.21Å; D12-N14 PolarHBondContact OD2-ND2 3.17Å | ||
| 13 | F | 72.9 | Confident | 66.9 | Low | 41 Ų | 41 | 113.4 Ų | 113.4 | 18% | 0.18 | 58% | 0.578 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -70.3 | -8.7 | 178.9 | -67.7 | -79.8 | 0 | 0 | 0 | 113.6 | P11 E15 L16 E17 T24 L29 M32 | P11-F13 HydrophobicContact CG-CE2 4.07Å; P11-F13 HydrophobicContact CG-CZ 4.02Å; P11-F13 WeakPolarHBondContact O-CD2 3.36Å; P11-F13 WeakPolarHBondContact O-CE2 3.23Å; P11-F13 PolarHBondContact O-N 2.97Å; F13-E15 PolarHBondContact O-N 3.27Å; F13-E15 VanDerWaalsContact O-N 3.15Å; F13-L16 HydrophobicContact CD1-CD2 4.12Å; F13-L16 CarbonylContact O-C 3.59Å; F13-L16 WeakPolarHBondContact O-CA 3.5Å; F13-L16 WeakPolarHBondContact O-CB 3.45Å; F13-L16 PolarHBondContact O-N 3.08Å; F13-E17 HydrophobicContact CB-CG 4.44Å; F13-E17 WeakPolarHBondContact O-CG 3.3Å; F13-E17 PolarHBondContact O-N 3.32Å; F13-T24 WeakPolarHBondContact CB-OG1 3.24Å; F13-T24 HydrophobicContact CD1-CG2 4.3Å; F13-T24 HydrophobicContact CD2-CG2 4.38Å; F13-T24 HydrophobicContact CG-CG2 4.15Å; F13-L29 HydrophobicContact CD2-CD2 3.5Å; F13-L29 VanDerWaalsContact CD2-CD2 3.5Å; F13-L29 HydrophobicContact CE2-CD2 3.82Å; F13-L29 HydrophobicContact CG-CD2 4.41Å; F13-M32 HydrophobicContact CE2-CE 4.18Å; F13-M32 HydrophobicContact CE2-SD 3.85Å; F13-M32 HydrophobicContact CZ-CE 4.01Å; F13-M32 HydrophobicContact CZ-SD 3.62Å |
| 14 | N | 77.8 | Confident | 68.6 | Low | 90 Ų | 90 | 105.5 Ų | 105.5 | 48% | 0.481 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -53 | -37 | 179.8 | -77.8 | -51.5 | 0 | 0 | 0 | 113.8 | D12 S18 | D12-N14 VanDerWaalsContact CG-ND2 3.31Å; D12-N14 PolarHBondContact O-N 3.36Å; D12-N14 VanDerWaalsContact OD1-CB 3.28Å; D12-N14 WeakPolarHBondContact OD1-CB 3.37Å; D12-N14 PolarHBondContact OD1-N 3.21Å; D12-N14 PolarHBondContact OD1-ND2 3.21Å; D12-N14 PolarHBondContact OD2-ND2 3.17Å; N14-S18 WeakPolarHBondContact O-CB 3.48Å; N14-S18 PolarHBondContact O-N 3.21Å; N14-S18 PolarHBondContact O-OG 2.67Å |
| 15 | E | 79.4 | Confident | 69.9 | Low | 136 Ų | 136 | 100.2 Ų | 100.2 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.4 | -42.4 | 175.2 | -163 | -160.7 | 139.2 | 0 | 0 | 111.2 | F13 S18 K19 | F13-E15 PolarHBondContact O-N 3.27Å; F13-E15 VanDerWaalsContact O-N 3.15Å; E15-S18 PolarHBondContact O-OG 3Å; E15-K19 WeakPolarHBondContact O-CB 3.22Å; E15-K19 PolarHBondContact O-N 3.43Å; E15-K19 VanDerWaalsContact O-N 3.09Å |
| 16 | L | 72.4 | Confident | 71.3 | Confident | 93 Ų | 93 | 100.4 Ų | 100.4 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.7 | -41.5 | 177.9 | -172.3 | 64.7 | 0 | 0 | 0 | 111.4 | F13 K19 V20 | F13-L16 HydrophobicContact CD1-CD2 4.12Å; F13-L16 CarbonylContact O-C 3.59Å; F13-L16 WeakPolarHBondContact O-CA 3.5Å; F13-L16 WeakPolarHBondContact O-CB 3.45Å; F13-L16 PolarHBondContact O-N 3.08Å; L16-K19 PolarHBondContact O-N 3.26Å; L16-V20 HydrophobicContact CD1-CG2 3.95Å; L16-V20 HydrophobicContact CG-CG2 4.27Å; L16-V20 VanDerWaalsContact O-CB 3.3Å; L16-V20 WeakPolarHBondContact O-CB 3.29Å; L16-V20 VanDerWaalsContact O-CG2 3.27Å; L16-V20 WeakPolarHBondContact O-CG2 3.46Å; L16-V20 PolarHBondContact O-N 3.24Å |
| 17 | E | 85 | Confident | 72.8 | Confident | 22 Ų | 22 | 95.3 Ų | 95.3 | 10% | 0.103 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 179.1 | -68.1 | -174.3 | 162.5 | 0 | 0 | 112.4 | F13 K19 V20 G21 R22 K23 T24 | F13-E17 HydrophobicContact CB-CG 4.44Å; F13-E17 WeakPolarHBondContact O-CG 3.3Å; F13-E17 PolarHBondContact O-N 3.32Å; E17-K19 VanDerWaalsContact C-N 3.3Å; E17-K19 PolarHBondContact O-N 3.22Å; E17-V20 PolarHBondContact O-N 3.31Å; E17-G21 WeakPolarHBondContact O-CA 3.4Å; E17-G21 PolarHBondContact O-N 3.49Å; E17-R22 WeakPolarHBondContact CA-O 3.37Å; E17-R22 WeakPolarHBondContact CB-O 3.35Å; E17-R22 WeakPolarHBondContact CG-O 3.48Å; E17-R22 PolarHBondContact O-N 2.93Å; E17-K23 VanDerWaalsContact CD-CD 3.44Å; E17-K23 HydrophobicContact CG-CD 4.38Å; E17-K23 WeakPolarHBondContact OE2-CD 3.46Å; E17-K23 WeakPolarHBondContact OE2-CE 3.47Å; E17-K23 IonicContact OE2-NZ 3.98Å; E17-K23 PolarHBondContact OE2-NZ 3.18Å; E17-T24 WeakPolarHBondContact CG-OG1 3.44Å; E17-T24 VanDerWaalsContact OE1-CB 3.29Å; E17-T24 WeakPolarHBondContact OE1-CB 3.42Å; E17-T24 PolarHBondContact OE1-N 3.49Å; E17-T24 PolarHBondContact OE1-OG1 3.41Å |
| 18 | S | 84.5 | Confident | 74.3 | Confident | 95 Ų | 95 | 91.8 Ų | 91.8 | 66% | 0.664 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.8 | -31.5 | 175.9 | 55.8 | 0 | 0 | 0 | 0 | 112.5 | N14 E15 | N14-S18 WeakPolarHBondContact O-CB 3.48Å; N14-S18 PolarHBondContact O-N 3.21Å; N14-S18 PolarHBondContact O-OG 2.67Å; E15-S18 PolarHBondContact O-OG 3Å |
| 19 | K | 81.2 | Confident | 76 | Confident | 158 Ų | 158 | 86.4 Ų | 86.4 | 69% | 0.687 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -80.9 | -28.5 | 177.8 | -174.6 | 175.3 | 180 | 176.7 | 0 | 114.3 | E15 L16 E17 | E15-K19 WeakPolarHBondContact O-CB 3.22Å; E15-K19 PolarHBondContact O-N 3.43Å; E15-K19 VanDerWaalsContact O-N 3.09Å; L16-K19 PolarHBondContact O-N 3.26Å; E17-K19 VanDerWaalsContact C-N 3.3Å; E17-K19 PolarHBondContact O-N 3.22Å |
| 20 | V | 76.9 | Confident | 77.5 | Confident | 61 Ų | 61 | 82.4 Ų | 82.4 | 37% | 0.37 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -97.4 | -18.3 | 178.4 | 176.6 | 0 | 0 | 0 | 0 | 112.2 | L16 E17 R22 L95 | L16-V20 HydrophobicContact CD1-CG2 3.95Å; L16-V20 HydrophobicContact CG-CG2 4.27Å; L16-V20 VanDerWaalsContact O-CB 3.3Å; L16-V20 WeakPolarHBondContact O-CB 3.29Å; L16-V20 VanDerWaalsContact O-CG2 3.27Å; L16-V20 WeakPolarHBondContact O-CG2 3.46Å; L16-V20 PolarHBondContact O-N 3.24Å; E17-V20 PolarHBondContact O-N 3.31Å; V20-R22 VanDerWaalsContact C-N 3.27Å; V20-R22 HydrophobicContact CG1-CB 4.34Å; V20-R22 PolarHBondContact O-N 3.41Å; V20-L95 HydrophobicContact CG1-CD1 3.86Å |
| 21 | G | 81.6 | Confident | 78.7 | Confident | 68 Ų | 68 | 82 Ų | 82 | 70% | 0.701 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 16 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | E17 | E17-G21 WeakPolarHBondContact O-CA 3.4Å; E17-G21 PolarHBondContact O-N 3.49Å |
| 22 | R | 74.9 | Confident | 79.4 | Confident | 106 Ų | 106 | 81.1 Ų | 81.1 | 40% | 0.4 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -138.7 | 148.3 | -178.3 | -74.5 | -174.5 | -84.3 | -153.9 | -12 | 110.2 | E17 V20 W94 | E17-R22 WeakPolarHBondContact CA-O 3.37Å; E17-R22 WeakPolarHBondContact CB-O 3.35Å; E17-R22 WeakPolarHBondContact CG-O 3.48Å; E17-R22 PolarHBondContact O-N 2.93Å; V20-R22 VanDerWaalsContact C-N 3.27Å; V20-R22 HydrophobicContact CG1-CB 4.34Å; V20-R22 PolarHBondContact O-N 3.41Å; R22-W94 PolarHBondContact NH1-O 2.93Å |
| 23 | K | 84.7 | Confident | 79.9 | Confident | 159 Ų | 159 | 82 Ų | 82 | 69% | 0.691 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 149 | 176.1 | -69 | -54.7 | -162.8 | 177.7 | 0 | 112 | E17 | E17-K23 VanDerWaalsContact CD-CD 3.44Å; E17-K23 HydrophobicContact CG-CD 4.38Å; E17-K23 WeakPolarHBondContact OE2-CD 3.46Å; E17-K23 WeakPolarHBondContact OE2-CE 3.47Å; E17-K23 IonicContact OE2-NZ 3.98Å; E17-K23 PolarHBondContact OE2-NZ 3.18Å |
| 24 | T | 80.5 | Confident | 80 | Confident | 17 Ų | 17 | 84 Ų | 84 | 10% | 0.104 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -67 | 137.2 | 172.5 | -46.3 | 0 | 0 | 0 | 0 | 108.4 | F13 E17 E26 L28 L29 | F13-T24 WeakPolarHBondContact CB-OG1 3.24Å; F13-T24 HydrophobicContact CD1-CG2 4.3Å; F13-T24 HydrophobicContact CD2-CG2 4.38Å; F13-T24 HydrophobicContact CG-CG2 4.15Å; E17-T24 WeakPolarHBondContact CG-OG1 3.44Å; E17-T24 VanDerWaalsContact OE1-CB 3.29Å; E17-T24 WeakPolarHBondContact OE1-CB 3.42Å; E17-T24 PolarHBondContact OE1-N 3.49Å; E17-T24 PolarHBondContact OE1-OG1 3.41Å; T24-E26 PolarHBondContact O-N 3.2Å; T24-L28 HydrophobicContact CG2-CD2 4.37Å; T24-L29 HydrophobicContact CG2-CD1 4.46Å; T24-L29 HydrophobicContact CG2-CD2 3.89Å; T24-L29 HydrophobicContact CG2-CG 3.95Å |
| 25 | P | 78.6 | Confident | 79.5 | Confident | 50 Ų | 50 | 81.5 Ų | 81.5 | 33% | 0.325 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 125.7 | 176.9 | 23.3 | -31.4 | 0 | 0 | 0 | 110.7 | S27 L28 L29 | P25-S27 PolarHBondContact O-N 3.44Å; P25-S27 VanDerWaalsContact O-N 3.13Å; P25-L28 HydrophobicContact CG-CB 3.98Å; P25-L28 HydrophobicContact CG-CD2 4.48Å; P25-L28 WeakPolarHBondContact O-CB 3.46Å; P25-L28 PolarHBondContact O-N 3Å; P25-L29 PolarHBondContact O-N 2.9Å |
| 26 | E | 79.7 | Confident | 79 | Confident | 145 Ų | 145 | 77.3 Ų | 77.3 | 68% | 0.678 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -49.9 | -37.3 | 179.3 | -71.5 | -73.1 | 157.5 | 0 | 0 | 112.8 | T24 L28 L29 V30 | T24-E26 PolarHBondContact O-N 3.2Å; E26-L28 VanDerWaalsContact C-N 3.32Å; E26-L28 PolarHBondContact O-N 2.98Å; E26-L29 PolarHBondContact O-N 3.38Å; E26-V30 WeakPolarHBondContact O-CB 3.36Å; E26-V30 VanDerWaalsContact O-CG2 3.32Å; E26-V30 WeakPolarHBondContact O-CG2 3.49Å; E26-V30 PolarHBondContact O-N 3.48Å |
| 27 | S | 79.3 | Confident | 78.7 | Confident | 47 Ų | 47 | 76.2 Ų | 76.2 | 33% | 0.329 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.1 | -35.1 | 177.6 | 51.2 | 0 | 0 | 0 | 0 | 113.7 | P25 W31 E87 | P25-S27 PolarHBondContact O-N 3.44Å; P25-S27 VanDerWaalsContact O-N 3.13Å; S27-W31 VanDerWaalsContact O-CB 3.25Å; S27-W31 WeakPolarHBondContact O-CB 3.39Å; S27-W31 PolarHBondContact O-N 3.31Å; S27-E87 WeakPolarHBondContact CB-OE2 3.29Å; S27-E87 PolarHBondContact OG-OE2 2.98Å |
| 28 | L | 81.3 | Confident | 77.6 | Confident | 56 Ų | 56 | 77.9 Ų | 77.9 | 29% | 0.293 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -72.9 | -40.7 | 175.4 | -176.7 | 64.2 | 0 | 0 | 0 | 111.1 | T24 P25 E26 W31 M32 | T24-L28 HydrophobicContact CG2-CD2 4.37Å; P25-L28 HydrophobicContact CG-CB 3.98Å; P25-L28 HydrophobicContact CG-CD2 4.48Å; P25-L28 WeakPolarHBondContact O-CB 3.46Å; P25-L28 PolarHBondContact O-N 3Å; E26-L28 VanDerWaalsContact C-N 3.32Å; E26-L28 PolarHBondContact O-N 2.98Å; L28-W31 HydrophobicContact CD1-CE3 4.23Å; L28-W31 PolarHBondContact O-N 3.17Å; L28-M32 HydrophobicContact CG-SD 4.46Å; L28-M32 WeakPolarHBondContact O-CG 3.4Å; L28-M32 PolarHBondContact O-N 3.3Å |
| 29 | L | 82.9 | Confident | 76.2 | Confident | 30 Ų | 30 | 78 Ų | 78 | 16% | 0.157 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 175.5 | -65.2 | 172.8 | 0 | 0 | 0 | 111.1 | F13 T24 P25 E26 M32 K33 | F13-L29 HydrophobicContact CD2-CD2 3.5Å; F13-L29 VanDerWaalsContact CD2-CD2 3.5Å; F13-L29 HydrophobicContact CE2-CD2 3.82Å; F13-L29 HydrophobicContact CG-CD2 4.41Å; T24-L29 HydrophobicContact CG2-CD1 4.46Å; T24-L29 HydrophobicContact CG2-CD2 3.89Å; T24-L29 HydrophobicContact CG2-CG 3.95Å; P25-L29 PolarHBondContact O-N 2.9Å; E26-L29 PolarHBondContact O-N 3.38Å; L29-M32 PolarHBondContact O-N 3.06Å; L29-K33 WeakPolarHBondContact O-CB 3.02Å; L29-K33 PolarHBondContact O-N 2.92Å |
| 30 | V | 83.2 | Confident | 74.7 | Confident | 72 Ų | 72 | 78.4 Ų | 78.4 | 44% | 0.436 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 173.8 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | E26 M32 K33 D34 | E26-V30 WeakPolarHBondContact O-CB 3.36Å; E26-V30 VanDerWaalsContact O-CG2 3.32Å; E26-V30 WeakPolarHBondContact O-CG2 3.49Å; E26-V30 PolarHBondContact O-N 3.48Å; V30-M32 PolarHBondContact O-N 2.93Å; V30-K33 PolarHBondContact O-N 3.04Å; V30-D34 WeakPolarHBondContact O-CB 3.36Å; V30-D34 PolarHBondContact O-N 3.42Å |
| 31 | W | 79.9 | Confident | 73.4 | Confident | 94 Ų | 94 | 78.4 Ų | 78.4 | 36% | 0.356 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 178.5 | 179.3 | 81 | 0 | 0 | 0 | 112.8 | S27 L28 D34 A35 Q81 A84 | S27-W31 VanDerWaalsContact O-CB 3.25Å; S27-W31 WeakPolarHBondContact O-CB 3.39Å; S27-W31 PolarHBondContact O-N 3.31Å; L28-W31 HydrophobicContact CD1-CE3 4.23Å; L28-W31 PolarHBondContact O-N 3.17Å; W31-D34 PolarHBondContact O-N 3.35Å; W31-A35 WeakPolarHBondContact O-CB 3.49Å; W31-A35 PolarHBondContact O-N 3.08Å; W31-Q81 HydrophobicContact CZ2-CG 3.95Å; W31-A84 HydrophobicContact CG-CB 4.33Å |
| 32 | M | 78.9 | Confident | 71.9 | Confident | 49 Ų | 49 | 80.8 Ų | 80.8 | 24% | 0.241 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 177.2 | -70.8 | -178.3 | 63.4 | 0 | 0 | 112 | P11 F13 L28 L29 V30 A35 A36 | P11-M32 HydrophobicContact CG-CE 3.62Å; F13-M32 HydrophobicContact CE2-CE 4.18Å; F13-M32 HydrophobicContact CE2-SD 3.85Å; F13-M32 HydrophobicContact CZ-CE 4.01Å; F13-M32 HydrophobicContact CZ-SD 3.62Å; L28-M32 HydrophobicContact CG-SD 4.46Å; L28-M32 WeakPolarHBondContact O-CG 3.4Å; L28-M32 PolarHBondContact O-N 3.3Å; L29-M32 PolarHBondContact O-N 3.06Å; V30-M32 PolarHBondContact O-N 2.93Å; M32-A35 PolarHBondContact O-N 3.09Å; M32-A36 PolarHBondContact O-N 3.37Å; M32-A36 VanDerWaalsContact O-N 3.16Å |
| 33 | K | 81.6 | Confident | 70.5 | Confident | 134 Ų | 134 | 81.9 Ų | 81.9 | 58% | 0.583 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.8 | -44.7 | 175.8 | -171.4 | 178.2 | 177.7 | -178.8 | 0 | 112.3 | Y10 L29 V30 A36 A37 | Y10-K33 HydrophobicContact CE2-CB 4.05Å; Y10-K33 HydrophobicContact CE2-CG 4.42Å; L29-K33 WeakPolarHBondContact O-CB 3.02Å; L29-K33 PolarHBondContact O-N 2.92Å; V30-K33 PolarHBondContact O-N 3.04Å; K33-A36 PolarHBondContact O-N 3.49Å; K33-A37 PolarHBondContact O-N 3.36Å |
| 34 | D | 75.2 | Confident | 68.9 | Low | 81 Ų | 81 | 78.6 Ų | 78.6 | 43% | 0.433 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.6 | -36.8 | 177.9 | -73.1 | -1.7 | 0 | 0 | 0 | 111.4 | V30 W31 A36 A37 D38 | V30-D34 WeakPolarHBondContact O-CB 3.36Å; V30-D34 PolarHBondContact O-N 3.42Å; W31-D34 PolarHBondContact O-N 3.35Å; D34-A36 VanDerWaalsContact C-N 3.33Å; D34-A36 PolarHBondContact O-N 3.16Å; D34-A37 PolarHBondContact O-N 2.84Å; D34-D38 WeakPolarHBondContact O-CB 3.36Å; D34-D38 PolarHBondContact O-N 2.75Å |
| 35 | A | 68.8 | Low | 67.5 | Low | 38 Ų | 38 | 83.7 Ų | 83.7 | 31% | 0.314 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.8 | -33 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | W31 M32 C39 | W31-A35 WeakPolarHBondContact O-CB 3.49Å; W31-A35 PolarHBondContact O-N 3.08Å; M32-A35 PolarHBondContact O-N 3.09Å; A35-C39 PolarHBondContact O-SG 2.92Å |
| 36 | A | 67.9 | Low | 66.4 | Low | 48 Ų | 48 | 87.2 Ų | 87.2 | 40% | 0.397 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | M32 K33 D34 | M32-A36 PolarHBondContact O-N 3.37Å; M32-A36 VanDerWaalsContact O-N 3.16Å; K33-A36 PolarHBondContact O-N 3.49Å; D34-A36 VanDerWaalsContact C-N 3.33Å; D34-A36 PolarHBondContact O-N 3.16Å |
| 37 | A | 66.8 | Low | 65.3 | Low | 70 Ų | 70 | 84.8 Ų | 84.8 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70.4 | -33.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K33 D34 C39 | K33-A37 PolarHBondContact O-N 3.36Å; D34-A37 PolarHBondContact O-N 2.84Å; A37-C39 PolarHBondContact O-N 2.69Å |
| 38 | D | 61.1 | Low | 63.8 | Low | 57 Ų | 57 | 85.7 Ų | 85.7 | 31% | 0.305 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 4.9 | -176.9 | -153 | 1 | 0 | 0 | 0 | 113.5 | D34 W42 R77 | D34-D38 WeakPolarHBondContact O-CB 3.36Å; D34-D38 PolarHBondContact O-N 2.75Å; D38-W42 VanDerWaalsContact O-CD1 3.29Å; D38-W42 PolarHBondContact O-NE1 3.35Å; D38-W42 PolarHBondContact OD1-NE1 2.77Å; D38-R77 IonicContact OD1-NH1 3.76Å; D38-R77 PolarHBondContact OD1-NH1 2.88Å; D38-R77 VanDerWaalsContact OD1-NH1 3.17Å; D38-R77 WeakPolarHBondContact OD2-CD 3.35Å; D38-R77 IonicContact OD2-CZ 3.17Å; D38-R77 IonicContact OD2-NE 3.63Å; D38-R77 PolarHBondContact OD2-NE 3.32Å; D38-R77 IonicContact OD2-NH1 3.11Å; D38-R77 PolarHBondContact OD2-NH1 3.5Å |
| 39 | C | 54.8 | Low | 62.7 | Low | 97 Ų | 97 | 95.1 Ų | 95.1 | 66% | 0.655 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -24.3 | 173.4 | -69.5 | 0 | 0 | 0 | 0 | 113.6 | A35 A37 | A35-C39 PolarHBondContact O-SG 2.92Å; A37-C39 PolarHBondContact O-N 2.69Å |
| 40 | E | 49.5 | Very low | 61.6 | Low | 167 Ų | 167 | 98.2 Ų | 98.2 | 78% | 0.78 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -85.8 | -20.9 | -170.3 | -61.1 | -173.6 | 167.1 | 0 | 0 | 114 | ||
| 41 | G | 49.3 | Very low | 60.2 | Low | 62 Ų | 62 | 102 Ų | 102 | 64% | 0.639 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -89.7 | -0.1 | -167.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 42 | W | 51.6 | Low | 59.4 | Low | 118 Ų | 118 | 105.3 Ų | 105.3 | 45% | 0.447 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -111 | 1.7 | -160.9 | -66.3 | 63.4 | 0 | 0 | 0 | 115 | D38 W70 | D38-W42 VanDerWaalsContact O-CD1 3.29Å; D38-W42 PolarHBondContact O-NE1 3.35Å; D38-W42 PolarHBondContact OD1-NE1 2.77Å; W42-W70 AromaticContact CE3-NE1 3.84Å; W42-W70 AromaticContact CZ3-CD1 3.82Å; W42-W70 AromaticContact CZ3-NE1 3.23Å |
| 43 | T | 44.8 | Very low | 58.5 | Low | 129 Ų | 129 | 109.8 Ų | 109.8 | 79% | 0.791 | 64% | 0.644 | S | S | * | * | trans | -99 | 19.5 | 179 | 52.4 | 0 | 0 | 0 | 0 | 114.2 | D45 | T43-D45 PolarHBondContact O-N 3.3Š| ||
| 44 | A | 51.8 | Low | 57.5 | Low | 89 Ų | 89 | 107.9 Ų | 107.9 | 74% | 0.736 | 65% | 0.648 | S | S | * | * | trans | -72.4 | 76.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | P46 | A44-P46 WeakPolarHBondContact O-CD 3.28Š| ||
| 45 | D | 50.9 | Low | 57.1 | Low | 124 Ų | 124 | 108.5 Ų | 108.5 | 66% | 0.663 | 65% | 0.651 | S | S | * | * | trans | -54.3 | 118.6 | 172.4 | -179.4 | 15.9 | 0 | 0 | 0 | 109.8 | T43 S47 | T43-D45 PolarHBondContact O-N 3.3Å; D45-S47 PolarHBondContact O-N 3.18Å; D45-S47 WeakPolarHBondContact OD2-CB 3.04Å | ||
| 46 | P | 55.9 | Low | 58 | Low | 124 Ų | 124 | 107.3 Ų | 107.3 | 81% | 0.805 | 64% | 0.643 | S | S | * | * | trans | -76.7 | 47.7 | 178.9 | 34.3 | -36.3 | 0 | 0 | 0 | 111.5 | A44 G48 | A44-P46 WeakPolarHBondContact O-CD 3.28Å; P46-G48 PolarHBondContact O-N 3.37Å | ||
| 47 | S | 55.8 | Low | 59.1 | Low | 95 Ų | 95 | 111.4 Ų | 111.4 | 66% | 0.664 | 66% | 0.657 | S | S | * | * | trans | -76.7 | 48.2 | 177.1 | -149.5 | 0 | 0 | 0 | 0 | 111.9 | D45 R49 | D45-S47 PolarHBondContact O-N 3.18Å; D45-S47 WeakPolarHBondContact OD2-CB 3.04Å; S47-R49 VanDerWaalsContact C-N 3.34Å; S47-R49 PolarHBondContact O-N 3.36Å; S47-R49 VanDerWaalsContact O-N 3.12Å | ||
| 48 | G | 48.4 | Very low | 60.3 | Low | 65 Ų | 65 | 111.1 Ų | 111.1 | 67% | 0.67 | 65% | 0.651 | S | S | * | * | trans | -79.8 | 80 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | P46 S50 | P46-G48 PolarHBondContact O-N 3.37Å; G48-S50 PolarHBondContact O-N 3.33Å | ||
| 49 | R | 58.1 | Low | 61.9 | Low | 255 Ų | 255 | 112 Ų | 112 | 96% | 0.962 | 66% | 0.655 | S | S | * | * | trans | -45.8 | 98.3 | 177 | -177.6 | -178.4 | 178.4 | -134.4 | 0.5 | 112.1 | S47 | S47-R49 VanDerWaalsContact C-N 3.34Å; S47-R49 PolarHBondContact O-N 3.36Å; S47-R49 VanDerWaalsContact O-N 3.12Å | ||
| 50 | S | 58.9 | Low | 63.8 | Low | 95 Ų | 95 | 112.7 Ų | 112.7 | 66% | 0.664 | 65% | 0.648 | S | S | * | * | trans | -119.9 | 132.4 | 178.1 | -169.3 | 0 | 0 | 0 | 0 | 110.3 | G48 H52 | G48-S50 PolarHBondContact O-N 3.33Å; S50-H52 PolarHBondContact O-N 3.04Å | ||
| 51 | D | 54.2 | Low | 66 | Low | 152 Ų | 152 | 108.2 Ų | 108.2 | 81% | 0.813 | 63% | 0.628 | S | S | * | * | trans | -80.4 | 116.8 | -171 | -149.4 | -7.2 | 0 | 0 | 0 | 110.7 | T53 | D51-T53 PolarHBondContact O-N 3.4Å; D51-T53 VanDerWaalsContact O-N 3.11Å | ||
| 52 | H | 64.1 | Low | 68.2 | Low | 162 Ų | 162 | 109.3 Ų | 109.3 | 75% | 0.75 | 62% | 0.62 | S | S | * | * | trans | -78 | 99.1 | -168 | -67.9 | -81.8 | 0 | 0 | 0 | 112.5 | S50 | S50-H52 PolarHBondContact O-N 3.04Š| ||
| 53 | T | 58.8 | Low | 70.3 | Confident | 143 Ų | 143 | 107.5 Ų | 107.5 | 88% | 0.877 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -121.2 | -8.3 | 162.6 | 48.3 | 0 | 0 | 0 | 0 | 114.7 | D51 | D51-T53 PolarHBondContact O-N 3.4Å; D51-T53 VanDerWaalsContact O-N 3.11Å |
| 54 | S | 60.8 | Low | 72.8 | Confident | 94 Ų | 94 | 105.9 Ų | 105.9 | 66% | 0.657 | 61% | 0.608 | S | S | * | * | trans | -154.6 | 109.9 | 156.2 | 59.5 | 0 | 0 | 0 | 0 | 110.1 | G56 | S54-G56 PolarHBondContact O-N 2.87Š| ||
| 55 | D | 67.1 | Low | 74.8 | Confident | 95 Ų | 95 | 106.5 Ų | 106.5 | 51% | 0.508 | 59% | 0.593 | S | S | . | * | trans | -63.8 | 92.3 | 158.1 | 169 | 36.1 | 0 | 0 | 0 | 106.7 | K60 | D55-K60 VanDerWaalsContact OD1-CG 3.29Å; D55-K60 WeakPolarHBondContact OD1-CG 3.43Å; D55-K60 VanDerWaalsContact OD2-CD 3.3Å; D55-K60 WeakPolarHBondContact OD2-CD 3.3Å; D55-K60 IonicContact OD2-NZ 3.5Å; D55-K60 PolarHBondContact OD2-NZ 2.74Å; D55-K60 VanDerWaalsContact OD2-NZ 3.11Å | ||
| 56 | G | 86.9 | Confident | 76.9 | Confident | 13 Ų | 13 | 105.7 Ų | 105.7 | 13% | 0.134 | 59% | 0.586 | C | S | . | * | trans | -66.6 | 142.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S54 S58 D59 K60 | S54-G56 PolarHBondContact O-N 2.87Å; G56-S58 PolarHBondContact O-N 2.82Å; G56-S58 VanDerWaalsContact O-N 3.09Å; G56-D59 PolarHBondContact N-OD2 3.45Å; G56-D59 VanDerWaalsContact N-OD2 3.12Å; G56-D59 PolarHBondContact O-N 2.78Å; G56-K60 WeakPolarHBondContact O-CG 3.27Å; G56-K60 PolarHBondContact O-N 3.4Å; G56-K60 VanDerWaalsContact O-N 3.17Å | ||
| 57 | L | 92.7 | Very high | 78.8 | Confident | 133 Ų | 133 | 105.2 Ų | 105.2 | 70% | 0.696 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -52.6 | -32.6 | 167.3 | 178.3 | 61.8 | 0 | 0 | 0 | 111 | D59 I61 | L57-D59 VanDerWaalsContact C-N 3.34Å; L57-D59 PolarHBondContact O-N 2.84Å; L57-I61 HydrophobicContact CD1-CD1 4.15Å; L57-I61 HydrophobicContact CD1-CG1 4.38Å; L57-I61 HydrophobicContact CG-CD1 3.85Å; L57-I61 WeakPolarHBondContact O-CB 3.38Å; L57-I61 WeakPolarHBondContact O-CD1 3.43Å; L57-I61 WeakPolarHBondContact O-CG1 3.39Å; L57-I61 PolarHBondContact O-N 3.06Å |
| 58 | S | 91.9 | Very high | 80.8 | Confident | 65 Ų | 65 | 105.7 Ų | 105.7 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -53.7 | -45.3 | 169.3 | 48.3 | 0 | 0 | 0 | 0 | 113.7 | G56 I61 N62 | G56-S58 PolarHBondContact O-N 2.82Å; G56-S58 VanDerWaalsContact O-N 3.09Å; S58-I61 PolarHBondContact O-N 2.91Å; S58-N62 WeakPolarHBondContact O-CB 3.46Å; S58-N62 PolarHBondContact O-N 3.36Å; S58-N62 PolarHBondContact O-ND2 2.85Å; S58-N62 VanDerWaalsContact O-ND2 3.12Å |
| 59 | D | 93.4 | Very high | 83.1 | Confident | 74 Ų | 74 | 109.1 Ų | 109.1 | 40% | 0.396 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -76.9 | -43.7 | -169 | -50.6 | -24.8 | 0 | 0 | 0 | 108.5 | G56 L57 I61 N62 T63 | G56-D59 PolarHBondContact N-OD2 3.45Å; G56-D59 VanDerWaalsContact N-OD2 3.12Å; G56-D59 PolarHBondContact O-N 2.78Å; L57-D59 VanDerWaalsContact C-N 3.34Å; L57-D59 PolarHBondContact O-N 2.84Å; D59-I61 VanDerWaalsContact C-N 3.33Å; D59-I61 PolarHBondContact O-N 3.42Å; D59-N62 CarbonylContact O-C 3.53Å; D59-N62 WeakPolarHBondContact O-CA 3.4Å; D59-N62 WeakPolarHBondContact O-CB 3.36Å; D59-N62 PolarHBondContact O-N 2.94Å; D59-T63 PolarHBondContact O-N 3.26Å; D59-T63 PolarHBondContact O-OG1 3.04Å; D59-T63 VanDerWaalsContact O-OG1 3.1Å |
| 60 | K | 95.4 | Very high | 84.7 | Confident | 113 Ų | 113 | 104.1 Ų | 104.1 | 49% | 0.491 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58 | -41.6 | 170 | -54.3 | 174.3 | 83.2 | 131.9 | 0 | 112.5 | D55 G56 N62 T63 L64 | D55-K60 VanDerWaalsContact OD1-CG 3.29Å; D55-K60 WeakPolarHBondContact OD1-CG 3.43Å; D55-K60 VanDerWaalsContact OD2-CD 3.3Å; D55-K60 WeakPolarHBondContact OD2-CD 3.3Å; D55-K60 IonicContact OD2-NZ 3.5Å; D55-K60 PolarHBondContact OD2-NZ 2.74Å; D55-K60 VanDerWaalsContact OD2-NZ 3.11Å; G56-K60 WeakPolarHBondContact O-CG 3.27Å; G56-K60 PolarHBondContact O-N 3.4Å; G56-K60 VanDerWaalsContact O-N 3.17Å; K60-N62 VanDerWaalsContact C-N 3.32Å; K60-T63 PolarHBondContact O-N 3.13Å; K60-L64 WeakPolarHBondContact O-CB 3.31Å; K60-L64 PolarHBondContact O-N 3.18Å |
| 61 | I | 95.1 | Very high | 86.6 | Confident | 72 Ų | 72 | 104.1 Ų | 104.1 | 37% | 0.369 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | 173.5 | -75.3 | 167 | 0 | 0 | 0 | 110.9 | L57 S58 D59 K65 | L57-I61 HydrophobicContact CD1-CD1 4.15Å; L57-I61 HydrophobicContact CD1-CG1 4.38Å; L57-I61 HydrophobicContact CG-CD1 3.85Å; L57-I61 WeakPolarHBondContact O-CB 3.38Å; L57-I61 WeakPolarHBondContact O-CD1 3.43Å; L57-I61 WeakPolarHBondContact O-CG1 3.39Å; L57-I61 PolarHBondContact O-N 3.06Å; S58-I61 PolarHBondContact O-N 2.91Å; D59-I61 VanDerWaalsContact C-N 3.33Å; D59-I61 PolarHBondContact O-N 3.42Å; I61-K65 HydrophobicContact CG2-CD 4.18Å; I61-K65 VanDerWaalsContact CG2-CE 3.49Å; I61-K65 WeakPolarHBondContact O-CB 3.42Å; I61-K65 WeakPolarHBondContact O-CD 3.32Å; I61-K65 WeakPolarHBondContact O-CG 3.28Å; I61-K65 PolarHBondContact O-N 2.97Å |
| 62 | N | 95.4 | Very high | 88.5 | Confident | 86 Ų | 86 | 103.6 Ų | 103.6 | 46% | 0.46 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -73 | -39 | 178.4 | -69.8 | -29.3 | 0 | 0 | 0 | 112.2 | S58 D59 K60 K65 Q66 | S58-N62 WeakPolarHBondContact O-CB 3.46Å; S58-N62 PolarHBondContact O-N 3.36Å; S58-N62 PolarHBondContact O-ND2 2.85Å; S58-N62 VanDerWaalsContact O-ND2 3.12Å; D59-N62 CarbonylContact O-C 3.53Å; D59-N62 WeakPolarHBondContact O-CA 3.4Å; D59-N62 WeakPolarHBondContact O-CB 3.36Å; D59-N62 PolarHBondContact O-N 2.94Å; K60-N62 VanDerWaalsContact C-N 3.32Å; N62-K65 PolarHBondContact O-N 2.87Å; N62-Q66 PolarHBondContact O-N 3.11Å |
| 63 | T | 95.4 | Very high | 89.9 | Confident | 79 Ų | 79 | 99.2 Ų | 99.2 | 49% | 0.485 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.9 | -52.5 | 170.9 | -58.7 | 0 | 0 | 0 | 0 | 110.6 | D59 K60 K65 Q66 E67 | D59-T63 PolarHBondContact O-N 3.26Å; D59-T63 PolarHBondContact O-OG1 3.04Å; D59-T63 VanDerWaalsContact O-OG1 3.1Å; K60-T63 PolarHBondContact O-N 3.13Å; T63-K65 VanDerWaalsContact C-N 3.32Å; T63-K65 PolarHBondContact O-N 2.69Å; T63-Q66 CarbonylContact O-C 3.56Å; T63-Q66 WeakPolarHBondContact O-CA 3.47Å; T63-Q66 WeakPolarHBondContact O-CB 3.38Å; T63-Q66 PolarHBondContact O-N 2.86Å; T63-E67 HydrophobicContact CG2-CG 4.45Å; T63-E67 PolarHBondContact O-N 2.84Å |
| 64 | L | 97.4 | Very high | 91.6 | Very high | 96 Ų | 96 | 93.5 Ų | 93.5 | 50% | 0.503 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.1 | -41.2 | 177.5 | 179.6 | 62.6 | 0 | 0 | 0 | 112.1 | K60 Q66 E67 M68 | K60-L64 WeakPolarHBondContact O-CB 3.31Å; K60-L64 PolarHBondContact O-N 3.18Å; L64-Q66 PolarHBondContact O-N 3.22Å; L64-E67 PolarHBondContact O-N 2.82Å; L64-M68 HydrophobicContact CD1-CG 4.32Å; L64-M68 WeakPolarHBondContact O-CB 3.46Å; L64-M68 VanDerWaalsContact O-CG 3.31Å; L64-M68 WeakPolarHBondContact O-CG 3.45Å; L64-M68 PolarHBondContact O-N 2.74Å |
| 65 | K | 95.1 | Very high | 93.3 | Very high | 101 Ų | 101 | 92.6 Ų | 92.6 | 44% | 0.439 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.7 | -36.4 | 173.2 | -76.5 | 167.2 | -174.5 | 168 | 0 | 112 | I61 N62 T63 R69 | I61-K65 HydrophobicContact CG2-CD 4.18Å; I61-K65 VanDerWaalsContact CG2-CE 3.49Å; I61-K65 WeakPolarHBondContact O-CB 3.42Å; I61-K65 WeakPolarHBondContact O-CD 3.32Å; I61-K65 WeakPolarHBondContact O-CG 3.28Å; I61-K65 PolarHBondContact O-N 2.97Å; N62-K65 PolarHBondContact O-N 2.87Å; T63-K65 VanDerWaalsContact C-N 3.32Å; T63-K65 PolarHBondContact O-N 2.69Å; K65-R69 WeakPolarHBondContact O-CG 3.25Å; K65-R69 PolarHBondContact O-N 2.76Å; K65-R69 VanDerWaalsContact O-N 3.17Å |
| 66 | Q | 94.9 | Very high | 94.6 | Very high | 108 Ų | 108 | 91.3 Ų | 91.3 | 51% | 0.505 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -74.2 | -42.7 | 178.5 | -170.9 | 58.5 | 18.8 | 0 | 0 | 112 | N62 T63 L64 M68 R69 W70 | N62-Q66 PolarHBondContact O-N 3.11Å; T63-Q66 CarbonylContact O-C 3.56Å; T63-Q66 WeakPolarHBondContact O-CA 3.47Å; T63-Q66 WeakPolarHBondContact O-CB 3.38Å; T63-Q66 PolarHBondContact O-N 2.86Å; L64-Q66 PolarHBondContact O-N 3.22Å; Q66-M68 VanDerWaalsContact C-N 3.33Å; Q66-M68 PolarHBondContact O-N 3.23Å; Q66-R69 WeakPolarHBondContact O-CB 3.33Å; Q66-R69 PolarHBondContact O-N 2.6Å; Q66-R69 VanDerWaalsContact O-N 3.14Å; Q66-W70 PolarHBondContact O-N 3.09Å |
| 67 | E | 96 | Very high | 94.9 | Very high | 114 Ų | 114 | 94.6 Ų | 94.6 | 53% | 0.533 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 172.4 | -68.9 | 175.6 | 161.1 | 0 | 0 | 111.6 | T63 L64 R69 W70 L71 | T63-E67 HydrophobicContact CG2-CG 4.45Å; T63-E67 PolarHBondContact O-N 2.84Å; L64-E67 PolarHBondContact O-N 2.82Å; E67-R69 VanDerWaalsContact C-N 3.34Å; E67-R69 PolarHBondContact O-N 2.69Å; E67-W70 WeakPolarHBondContact O-CB 3.2Å; E67-W70 PolarHBondContact O-N 3.32Å; E67-L71 PolarHBondContact O-N 2.8Å |
| 68 | M | 97.8 | Very high | 95 | Very high | 104 Ų | 104 | 92.3 Ų | 92.3 | 51% | 0.512 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.8 | -34.6 | 174.7 | -71.9 | -162.6 | 88.1 | 0 | 0 | 112.8 | L64 Q66 R72 | L64-M68 HydrophobicContact CD1-CG 4.32Å; L64-M68 WeakPolarHBondContact O-CB 3.46Å; L64-M68 VanDerWaalsContact O-CG 3.31Å; L64-M68 WeakPolarHBondContact O-CG 3.45Å; L64-M68 PolarHBondContact O-N 2.74Å; Q66-M68 VanDerWaalsContact C-N 3.33Å; Q66-M68 PolarHBondContact O-N 3.23Å; M68-R72 WeakPolarHBondContact O-CG 3.39Å; M68-R72 PolarHBondContact O-N 2.97Å; M68-R72 VanDerWaalsContact O-N 3.14Å |
| 69 | R | 94.7 | Very high | 95.2 | Very high | 138 Ų | 138 | 94.3 Ų | 94.3 | 52% | 0.521 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 171.3 | -71.6 | 177.1 | -163.4 | 117.8 | 0.3 | 111 | K65 Q66 E67 L71 R72 C73 | K65-R69 WeakPolarHBondContact O-CG 3.25Å; K65-R69 PolarHBondContact O-N 2.76Å; K65-R69 VanDerWaalsContact O-N 3.17Å; Q66-R69 WeakPolarHBondContact O-CB 3.33Å; Q66-R69 PolarHBondContact O-N 2.6Å; Q66-R69 VanDerWaalsContact O-N 3.14Å; E67-R69 VanDerWaalsContact C-N 3.34Å; E67-R69 PolarHBondContact O-N 2.69Å; R69-L71 PolarHBondContact O-N 2.78Å; R69-R72 WeakPolarHBondContact O-CB 3.1Å; R69-R72 PolarHBondContact O-N 3.46Å; R69-C73 PolarHBondContact O-N 3.25Å; R69-C73 PolarHBondContact O-SG 2.95Å |
| 70 | W | 93.4 | Very high | 95.2 | Very high | 150 Ų | 150 | 98 Ų | 98 | 57% | 0.568 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.2 | -46.3 | 178.4 | -176.4 | 89 | 0 | 0 | 0 | 111.7 | W42 Q66 E67 R72 C73 A74 | W42-W70 AromaticContact CE3-NE1 3.84Å; W42-W70 AromaticContact CZ3-CD1 3.82Å; W42-W70 AromaticContact CZ3-NE1 3.23Å; Q66-W70 PolarHBondContact O-N 3.09Å; E67-W70 WeakPolarHBondContact O-CB 3.2Å; E67-W70 PolarHBondContact O-N 3.32Å; W70-R72 PolarHBondContact O-N 2.53Å; W70-C73 WeakPolarHBondContact O-CB 3.32Å; W70-C73 PolarHBondContact O-N 3.39Å; W70-A74 PolarHBondContact O-N 3Å |
| 71 | L | 97.1 | Very high | 95.1 | Very high | 94 Ų | 94 | 96.5 Ų | 96.5 | 49% | 0.492 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 175 | -175.2 | 63.7 | 0 | 0 | 0 | 111.8 | E67 R69 C73 A74 D75 | E67-L71 PolarHBondContact O-N 2.8Å; R69-L71 PolarHBondContact O-N 2.78Å; L71-C73 VanDerWaalsContact C-N 3.28Å; L71-C73 PolarHBondContact O-N 3.25Å; L71-A74 WeakPolarHBondContact O-CB 3.36Å; L71-A74 PolarHBondContact O-N 3.49Å; L71-A74 VanDerWaalsContact O-N 3.13Å; L71-D75 PolarHBondContact O-N 3.44Å |
| 72 | R | 94.9 | Very high | 95.2 | Very high | 142 Ų | 142 | 98.1 Ų | 98.1 | 54% | 0.536 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.3 | -37.9 | 175.1 | -66.2 | -91.5 | -166.5 | 86 | 5 | 112.3 | M68 R69 W70 V76 | M68-R72 WeakPolarHBondContact O-CG 3.39Å; M68-R72 PolarHBondContact O-N 2.97Å; M68-R72 VanDerWaalsContact O-N 3.14Å; R69-R72 WeakPolarHBondContact O-CB 3.1Å; R69-R72 PolarHBondContact O-N 3.46Å; W70-R72 PolarHBondContact O-N 2.53Å; R72-V76 WeakPolarHBondContact O-CG2 3.33Å; R72-V76 PolarHBondContact O-N 3.13Å |
| 73 | C | 92.8 | Very high | 95.2 | Very high | 69 Ų | 69 | 97.7 Ų | 97.7 | 47% | 0.466 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.3 | -41.3 | 175.3 | -68.3 | 0 | 0 | 0 | 0 | 111.7 | R69 W70 L71 V76 R77 | R69-C73 PolarHBondContact O-N 3.25Å; R69-C73 PolarHBondContact O-SG 2.95Å; W70-C73 WeakPolarHBondContact O-CB 3.32Å; W70-C73 PolarHBondContact O-N 3.39Å; L71-C73 VanDerWaalsContact C-N 3.28Å; L71-C73 PolarHBondContact O-N 3.25Å; C73-V76 PolarHBondContact O-N 3.32Å; C73-R77 WeakPolarHBondContact O-CG 3.25Å; C73-R77 PolarHBondContact O-N 3.41Å |
| 74 | A | 94.9 | Very high | 95 | Very high | 23 Ų | 23 | 94.6 Ų | 94.6 | 19% | 0.19 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -61.7 | -45 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | W70 L71 V76 R77 I78 | W70-A74 PolarHBondContact O-N 3Å; L71-A74 WeakPolarHBondContact O-CB 3.36Å; L71-A74 PolarHBondContact O-N 3.49Å; L71-A74 VanDerWaalsContact O-N 3.13Å; A74-V76 VanDerWaalsContact C-N 3.33Å; A74-V76 PolarHBondContact O-N 2.93Å; A74-R77 PolarHBondContact O-N 2.93Å; A74-R77 VanDerWaalsContact O-N 3.13Å; A74-I78 WeakPolarHBondContact O-CG1 3.42Å; A74-I78 PolarHBondContact O-N 2.84Å |
| 75 | D | 96.9 | Very high | 95 | Very high | 75 Ų | 75 | 94.2 Ų | 94.2 | 40% | 0.401 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -55.6 | -46.7 | 175.4 | -68.7 | -24.7 | 0 | 0 | 0 | 111.4 | L71 R77 I78 L79 | L71-D75 PolarHBondContact O-N 3.44Å; D75-R77 PolarHBondContact O-N 3.29Å; D75-I78 PolarHBondContact O-N 2.89Å; D75-L79 WeakPolarHBondContact O-CB 3.4Å; D75-L79 VanDerWaalsContact O-CG 3.25Å; D75-L79 WeakPolarHBondContact O-CG 3.19Å; D75-L79 PolarHBondContact O-N 2.93Å |
| 76 | V | 94.8 | Very high | 95 | Very high | 68 Ų | 68 | 94.6 Ų | 94.6 | 41% | 0.412 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 177.9 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | R72 C73 A74 R80 | R72-V76 WeakPolarHBondContact O-CG2 3.33Å; R72-V76 PolarHBondContact O-N 3.13Å; C73-V76 PolarHBondContact O-N 3.32Å; A74-V76 VanDerWaalsContact C-N 3.33Å; A74-V76 PolarHBondContact O-N 2.93Å; V76-R80 VanDerWaalsContact O-CG 3.32Å; V76-R80 WeakPolarHBondContact O-CG 3.34Å; V76-R80 PolarHBondContact O-N 2.82Å |
| 77 | R | 92.3 | Very high | 95 | Very high | 82 Ų | 82 | 93 Ų | 93 | 31% | 0.309 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 175.1 | -74.7 | 175 | 63.5 | 148.2 | -5.4 | 111.6 | D38 C73 A74 D75 R80 Q81 | D38-R77 IonicContact OD1-NH1 3.76Å; D38-R77 PolarHBondContact OD1-NH1 2.88Å; D38-R77 VanDerWaalsContact OD1-NH1 3.17Å; D38-R77 WeakPolarHBondContact OD2-CD 3.35Å; D38-R77 IonicContact OD2-CZ 3.17Å; D38-R77 IonicContact OD2-NE 3.63Å; D38-R77 PolarHBondContact OD2-NE 3.32Å; D38-R77 IonicContact OD2-NH1 3.11Å; D38-R77 PolarHBondContact OD2-NH1 3.5Å; C73-R77 WeakPolarHBondContact O-CG 3.25Å; C73-R77 PolarHBondContact O-N 3.41Å; A74-R77 PolarHBondContact O-N 2.93Å; A74-R77 VanDerWaalsContact O-N 3.13Å; D75-R77 PolarHBondContact O-N 3.29Å; R77-R80 PolarHBondContact O-N 3.31Å; R77-Q81 WeakPolarHBondContact O-CG 3.49Å; R77-Q81 PolarHBondContact O-N 2.95Å |
| 78 | I | 94.8 | Very high | 94.9 | Very high | 86 Ų | 86 | 88.7 Ų | 88.7 | 44% | 0.441 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 177.2 | -67.1 | 163.5 | 0 | 0 | 0 | 110.4 | A74 D75 R80 Q81 L82 | A74-I78 WeakPolarHBondContact O-CG1 3.42Å; A74-I78 PolarHBondContact O-N 2.84Å; D75-I78 PolarHBondContact O-N 2.89Å; I78-R80 PolarHBondContact O-N 2.94Å; I78-Q81 PolarHBondContact O-N 3.08Å; I78-L82 HydrophobicContact CG2-CD1 3.92Å; I78-L82 HydrophobicContact CG2-CG 4.36Å; I78-L82 WeakPolarHBondContact O-CG 3.44Å; I78-L82 PolarHBondContact O-N 3.4Å |
| 79 | L | 97.1 | Very high | 94.7 | Very high | 106 Ų | 106 | 87.7 Ų | 87.7 | 56% | 0.555 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -60.7 | -42.6 | 177.4 | -72.9 | 168.4 | 0 | 0 | 0 | 112.2 | D75 L82 V83 | D75-L79 WeakPolarHBondContact O-CB 3.4Å; D75-L79 VanDerWaalsContact O-CG 3.25Å; D75-L79 WeakPolarHBondContact O-CG 3.19Å; D75-L79 PolarHBondContact O-N 2.93Å; L79-L82 PolarHBondContact O-N 3.21Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.41Å; L79-V83 VanDerWaalsContact O-N 3.1Å |
| 80 | R | 92.6 | Very high | 94.7 | Very high | 152 Ų | 152 | 83.2 Ų | 83.2 | 57% | 0.574 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.8 | -43.6 | 174.6 | -72.5 | 174.3 | -176.3 | -172.7 | 1.8 | 112.2 | V76 R77 I78 V83 A84 | V76-R80 VanDerWaalsContact O-CG 3.32Å; V76-R80 WeakPolarHBondContact O-CG 3.34Å; V76-R80 PolarHBondContact O-N 2.82Å; R77-R80 PolarHBondContact O-N 3.31Å; I78-R80 PolarHBondContact O-N 2.94Å; R80-V83 PolarHBondContact O-N 3.15Å; R80-A84 PolarHBondContact O-N 3.37Å |
| 81 | Q | 94.6 | Very high | 94.5 | Very high | 81 Ų | 81 | 78.2 Ų | 78.2 | 38% | 0.379 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 176.1 | -74.9 | 174.2 | -10.8 | 0 | 0 | 112 | W31 R77 I78 V83 A84 V85 | W31-Q81 HydrophobicContact CZ2-CG 3.95Å; R77-Q81 WeakPolarHBondContact O-CG 3.49Å; R77-Q81 PolarHBondContact O-N 2.95Å; I78-Q81 PolarHBondContact O-N 3.08Å; Q81-V83 VanDerWaalsContact C-N 3.34Å; Q81-V83 PolarHBondContact O-N 3.35Å; Q81-A84 PolarHBondContact O-N 3.47Å; Q81-V85 WeakPolarHBondContact O-CB 3.49Å; Q81-V85 WeakPolarHBondContact O-CG2 3.05Å; Q81-V85 PolarHBondContact O-N 2.94Å |
| 82 | L | 96.8 | Very high | 94.2 | Very high | 106 Ų | 106 | 79 Ų | 79 | 56% | 0.555 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.2 | -39.3 | 177.7 | -73.1 | 170.1 | 0 | 0 | 0 | 112.4 | I78 L79 H86 | I78-L82 HydrophobicContact CG2-CD1 3.92Å; I78-L82 HydrophobicContact CG2-CG 4.36Å; I78-L82 WeakPolarHBondContact O-CG 3.44Å; I78-L82 PolarHBondContact O-N 3.4Å; L79-L82 PolarHBondContact O-N 3.21Å; L82-H86 WeakPolarHBondContact O-CB 3.36Å; L82-H86 PolarHBondContact O-N 2.79Å |
| 83 | V | 94.5 | Very high | 94 | Very high | 78 Ų | 78 | 78.1 Ų | 78.1 | 47% | 0.473 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.9 | -47.5 | 174.5 | 171.9 | 0 | 0 | 0 | 0 | 111 | L79 R80 Q81 V85 H86 E87 | L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.41Å; L79-V83 VanDerWaalsContact O-N 3.1Å; R80-V83 PolarHBondContact O-N 3.15Å; Q81-V83 VanDerWaalsContact C-N 3.34Å; Q81-V83 PolarHBondContact O-N 3.35Å; V83-V85 VanDerWaalsContact C-N 3.34Å; V83-V85 PolarHBondContact O-N 2.97Å; V83-H86 WeakPolarHBondContact O-CB 3.44Å; V83-H86 PolarHBondContact O-N 3.23Å; V83-E87 WeakPolarHBondContact CG1-OE1 3.49Å; V83-E87 WeakPolarHBondContact O-CG 3.45Å; V83-E87 PolarHBondContact O-N 2.93Å |
| 84 | A | 91.8 | Very high | 93.9 | Very high | 14 Ų | 14 | 82.4 Ų | 82.4 | 12% | 0.116 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.3 | -40 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | W31 R80 Q81 E87 G88 | W31-A84 HydrophobicContact CG-CB 4.33Å; R80-A84 PolarHBondContact O-N 3.37Å; Q81-A84 PolarHBondContact O-N 3.47Å; A84-E87 PolarHBondContact O-N 2.73Å; A84-G88 PolarHBondContact O-N 3.01Å |
| 85 | V | 96.4 | Very high | 93.5 | Very high | 88 Ų | 88 | 84.1 Ų | 84.1 | 53% | 0.533 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 174.5 | 169 | 0 | 0 | 0 | 0 | 111.4 | Q81 V83 G88 I89 | Q81-V85 WeakPolarHBondContact O-CB 3.49Å; Q81-V85 WeakPolarHBondContact O-CG2 3.05Å; Q81-V85 PolarHBondContact O-N 2.94Å; V83-V85 VanDerWaalsContact C-N 3.34Å; V83-V85 PolarHBondContact O-N 2.97Å; V85-G88 PolarHBondContact O-N 3.24Å; V85-I89 HydrophobicContact CG1-CD1 3.84Å; V85-I89 VanDerWaalsContact O-CG1 3.31Å; V85-I89 WeakPolarHBondContact O-CG1 3.34Å; V85-I89 PolarHBondContact O-N 3.04Å |
| 86 | H | 96.7 | Very high | 93 | Very high | 109 Ų | 109 | 86.9 Ų | 86.9 | 51% | 0.505 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.6 | -48.9 | 175.3 | 171.6 | -85.9 | 0 | 0 | 0 | 111.3 | L82 V83 G88 I89 E90 | L82-H86 WeakPolarHBondContact O-CB 3.36Å; L82-H86 PolarHBondContact O-N 2.79Å; V83-H86 WeakPolarHBondContact O-CB 3.44Å; V83-H86 PolarHBondContact O-N 3.23Å; H86-G88 VanDerWaalsContact C-N 3.33Å; H86-G88 PolarHBondContact O-N 2.92Å; H86-I89 PolarHBondContact O-N 2.86Å; H86-I89 VanDerWaalsContact O-N 3.15Å; H86-E90 IonicContact NE2-OE1 3.05Å; H86-E90 WeakPolarHBondContact O-CG 3.46Å; H86-E90 PolarHBondContact O-N 3.46Å |
| 87 | E | 93.9 | Very high | 92.5 | Very high | 73 Ų | 73 | 88.7 Ų | 88.7 | 34% | 0.341 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 177.8 | -70 | 172.2 | -177.3 | 0 | 0 | 112.5 | S27 V83 A84 E90 A91 | S27-E87 WeakPolarHBondContact CB-OE2 3.29Å; S27-E87 PolarHBondContact OG-OE2 2.98Å; V83-E87 WeakPolarHBondContact CG1-OE1 3.49Å; V83-E87 WeakPolarHBondContact O-CG 3.45Å; V83-E87 PolarHBondContact O-N 2.93Å; A84-E87 PolarHBondContact O-N 2.73Å; E87-E90 PolarHBondContact O-N 3.05Å; E87-A91 WeakPolarHBondContact O-CB 3.39Å; E87-A91 PolarHBondContact O-N 2.83Å |
| 88 | G | 93.8 | Very high | 91.4 | Very high | 25 Ų | 25 | 89.5 Ų | 89.5 | 26% | 0.258 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63 | -40.6 | 172 | 0 | 0 | 0 | 0 | 0 | 113.4 | A84 V85 H86 A91 M92 | A84-G88 PolarHBondContact O-N 3.01Å; V85-G88 PolarHBondContact O-N 3.24Å; H86-G88 VanDerWaalsContact C-N 3.33Å; H86-G88 PolarHBondContact O-N 2.92Å; G88-A91 PolarHBondContact O-N 3.31Å; G88-M92 WeakPolarHBondContact O-CG 3.38Å; G88-M92 PolarHBondContact O-N 2.93Å |
| 89 | I | 93.4 | Very high | 89.9 | Confident | 82 Ų | 82 | 93.8 Ų | 93.8 | 42% | 0.421 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 175.6 | -69.6 | 165 | 0 | 0 | 0 | 111.1 | V85 H86 M92 R93 | V85-I89 HydrophobicContact CG1-CD1 3.84Å; V85-I89 VanDerWaalsContact O-CG1 3.31Å; V85-I89 WeakPolarHBondContact O-CG1 3.34Å; V85-I89 PolarHBondContact O-N 3.04Å; H86-I89 PolarHBondContact O-N 2.86Å; H86-I89 VanDerWaalsContact O-N 3.15Å; I89-M92 HydrophobicContact CG1-CE 4.16Å; I89-M92 PolarHBondContact O-N 3.03Å; I89-R93 PolarHBondContact O-N 3.04Å |
| 90 | E | 94.6 | Very high | 88.1 | Confident | 44 Ų | 44 | 90.7 Ų | 90.7 | 21% | 0.206 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 174.1 | -68.2 | -58.6 | 134.3 | 0 | 0 | 111 | H86 E87 M92 R93 W94 | H86-E90 IonicContact NE2-OE1 3.05Å; H86-E90 WeakPolarHBondContact O-CG 3.46Å; H86-E90 PolarHBondContact O-N 3.46Å; E87-E90 PolarHBondContact O-N 3.05Å; E90-M92 VanDerWaalsContact C-N 3.32Å; E90-M92 PolarHBondContact O-N 3.15Å; E90-R93 WeakPolarHBondContact O-CB 3.46Å; E90-R93 PolarHBondContact O-N 3.31Å; E90-R93 IonicContact OE1-CZ 2.7Å; E90-R93 IonicContact OE1-NH1 3.41Å; E90-R93 PolarHBondContact OE1-NH1 2.8Å; E90-R93 IonicContact OE1-NH2 2.77Å; E90-R93 PolarHBondContact OE1-NH2 3.37Å; E90-R93 IonicContact OE2-CZ 3.47Å; E90-R93 IonicContact OE2-NH1 3.18Å; E90-R93 PolarHBondContact OE2-NH1 2.91Å; E90-R93 IonicContact OE2-NH2 2.6Å; E90-W94 PolarHBondContact O-N 3.03Å |
| 91 | A | 90.3 | Very high | 86.3 | Confident | 45 Ų | 45 | 87.9 Ų | 87.9 | 37% | 0.372 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.9 | -40.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E87 G88 L95 | E87-A91 WeakPolarHBondContact O-CB 3.39Å; E87-A91 PolarHBondContact O-N 2.83Å; G88-A91 PolarHBondContact O-N 3.31Å; A91-L95 WeakPolarHBondContact O-CB 3.47Å; A91-L95 PolarHBondContact O-N 2.96Å |
| 92 | M | 90.4 | Very high | 84.3 | Confident | 112 Ų | 112 | 89.5 Ų | 89.5 | 55% | 0.552 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.9 | -40.2 | 172.4 | -73.7 | -170.2 | -65.8 | 0 | 0 | 112.3 | G88 I89 E90 L95 M96 | G88-M92 WeakPolarHBondContact O-CG 3.38Å; G88-M92 PolarHBondContact O-N 2.93Å; I89-M92 HydrophobicContact CG1-CE 4.16Å; I89-M92 PolarHBondContact O-N 3.03Å; E90-M92 VanDerWaalsContact C-N 3.32Å; E90-M92 PolarHBondContact O-N 3.15Å; M92-L95 PolarHBondContact O-N 3.47Å; M92-L95 VanDerWaalsContact O-N 3.13Å; M92-M96 WeakPolarHBondContact O-CB 3.48Å; M92-M96 VanDerWaalsContact O-CG 3.29Å; M92-M96 WeakPolarHBondContact O-CG 3.21Å; M92-M96 PolarHBondContact O-N 3.34Å |
| 93 | R | 90.6 | Very high | 82 | Confident | 122 Ų | 122 | 89.5 Ų | 89.5 | 46% | 0.46 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 175.8 | -167.2 | -173.8 | -56.3 | 133.9 | 14.5 | 111.2 | I89 E90 L95 M96 E97 | I89-R93 PolarHBondContact O-N 3.04Å; E90-R93 WeakPolarHBondContact O-CB 3.46Å; E90-R93 PolarHBondContact O-N 3.31Å; E90-R93 IonicContact OE1-CZ 2.7Å; E90-R93 IonicContact OE1-NH1 3.41Å; E90-R93 PolarHBondContact OE1-NH1 2.8Å; E90-R93 IonicContact OE1-NH2 2.77Å; E90-R93 PolarHBondContact OE1-NH2 3.37Å; E90-R93 IonicContact OE2-CZ 3.47Å; E90-R93 IonicContact OE2-NH1 3.18Å; E90-R93 PolarHBondContact OE2-NH1 2.91Å; E90-R93 IonicContact OE2-NH2 2.6Å; R93-L95 PolarHBondContact O-N 3.44Å; R93-M96 PolarHBondContact O-N 3.1Å; R93-M96 VanDerWaalsContact O-N 3.11Å; R93-E97 WeakPolarHBondContact O-CB 3.31Å; R93-E97 PolarHBondContact O-N 3.41Å |
| 94 | W | 91.1 | Very high | 79.8 | Confident | 159 Ų | 159 | 89 Ų | 89 | 60% | 0.602 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.5 | -28.8 | 174.5 | -65.8 | 119.9 | 0 | 0 | 0 | 113.2 | R22 E90 | R22-W94 PolarHBondContact NH1-O 2.93Å; E90-W94 PolarHBondContact O-N 3.03Å |
| 95 | L | 85.9 | Confident | 77.8 | Confident | 59 Ų | 59 | 97.7 Ų | 97.7 | 31% | 0.309 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -77.1 | -37.9 | 173.9 | -175.9 | 147.2 | 0 | 0 | 0 | 112.6 | V20 A91 M92 R93 R99 | V20-L95 HydrophobicContact CG1-CD1 3.86Å; A91-L95 WeakPolarHBondContact O-CB 3.47Å; A91-L95 PolarHBondContact O-N 2.96Å; M92-L95 PolarHBondContact O-N 3.47Å; M92-L95 VanDerWaalsContact O-N 3.13Å; R93-L95 PolarHBondContact O-N 3.44Å; L95-R99 WeakPolarHBondContact O-CG 3.46Å |
| 96 | M | 87.3 | Confident | 75.3 | Confident | 134 Ų | 134 | 98.8 Ų | 98.8 | 66% | 0.66 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -76.8 | -38.6 | -178.6 | -71.4 | 175.3 | 67.6 | 0 | 0 | 112.8 | M92 R93 E98 R99 G100 | M92-M96 WeakPolarHBondContact O-CB 3.48Å; M92-M96 VanDerWaalsContact O-CG 3.29Å; M92-M96 WeakPolarHBondContact O-CG 3.21Å; M92-M96 PolarHBondContact O-N 3.34Å; R93-M96 PolarHBondContact O-N 3.1Å; R93-M96 VanDerWaalsContact O-N 3.11Å; M96-E98 PolarHBondContact O-N 3.44Å; M96-R99 PolarHBondContact O-N 2.93Å; M96-G100 PolarHBondContact O-N 2.85Å |
| 97 | E | 84.4 | Confident | 73.3 | Confident | 105 Ų | 105 | 98.1 Ų | 98.1 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 177.9 | -173.7 | 165.2 | -161.1 | 0 | 0 | 111.3 | R93 R99 G100 L101 | R93-E97 WeakPolarHBondContact O-CB 3.31Å; R93-E97 PolarHBondContact O-N 3.41Å; E97-R99 VanDerWaalsContact C-N 3.32Å; E97-R99 PolarHBondContact O-N 2.89Å; E97-G100 PolarHBondContact O-N 2.89Å; E97-L101 HydrophobicContact CG-CD1 4.37Å; E97-L101 PolarHBondContact O-N 3.24Å |
| 98 | E | 69.2 | Low | 71.4 | Confident | 99 Ų | 99 | 99.3 Ų | 99.3 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -55 | -43.9 | 173 | -170 | 67.8 | -122.2 | 0 | 0 | 112.1 | M96 Q102 | M96-E98 PolarHBondContact O-N 3.44Å; E98-Q102 VanDerWaalsContact O-CG 3.3Å; E98-Q102 WeakPolarHBondContact O-CG 3.44Å; E98-Q102 PolarHBondContact O-N 2.91Å; E98-Q102 PolarHBondContact OE1-NE2 2.98Å |
| 99 | R | 62.6 | Low | 69.2 | Low | 177 Ų | 177 | 106.1 Ų | 106.1 | 67% | 0.668 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -78.5 | -30.7 | -178.8 | -63.3 | -174.1 | 86.3 | 105.1 | 2.9 | 113.3 | L95 M96 E97 Q102 T103 | L95-R99 WeakPolarHBondContact O-CG 3.46Å; M96-R99 PolarHBondContact O-N 2.93Å; E97-R99 VanDerWaalsContact C-N 3.32Å; E97-R99 PolarHBondContact O-N 2.89Å; R99-Q102 PolarHBondContact O-N 3.35Å; R99-T103 WeakPolarHBondContact O-CB 3.43Å; R99-T103 WeakPolarHBondContact O-CG2 3.47Å; R99-T103 PolarHBondContact O-N 3.47Å |
| 100 | G | 60.1 | Low | 67 | Low | 40 Ų | 40 | 108.1 Ų | 108.1 | 41% | 0.412 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.2 | -35.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | M96 E97 S104 | M96-G100 PolarHBondContact O-N 2.85Å; E97-G100 PolarHBondContact O-N 2.89Å; G100-S104 PolarHBondContact O-OG 3.25Å; G100-S104 VanDerWaalsContact O-OG 3.04Å |
| 101 | L | 53.6 | Low | 64.9 | Low | 93 Ų | 93 | 108.9 Ų | 108.9 | 49% | 0.487 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -74.1 | -33.4 | 173.9 | -79.4 | 156.7 | 0 | 0 | 0 | 112.8 | E97 S104 | E97-L101 HydrophobicContact CG-CD1 4.37Å; E97-L101 PolarHBondContact O-N 3.24Å; L101-S104 PolarHBondContact O-OG 3.07Å |
| 102 | Q | 53.3 | Low | 63.1 | Low | 115 Ų | 115 | 111.9 Ų | 111.9 | 54% | 0.537 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -79.2 | -34.6 | 179.5 | -68.8 | -178.4 | 25.1 | 0 | 0 | 113.4 | E98 R99 S104 | E98-Q102 VanDerWaalsContact O-CG 3.3Å; E98-Q102 WeakPolarHBondContact O-CG 3.44Å; E98-Q102 PolarHBondContact O-N 2.91Å; E98-Q102 PolarHBondContact OE1-NE2 2.98Å; R99-Q102 PolarHBondContact O-N 3.35Å; Q102-S104 VanDerWaalsContact C-N 3.28Å; Q102-S104 PolarHBondContact O-N 3.45Å |
| 103 | T | 48 | Very low | 61.4 | Low | 106 Ų | 106 | 114.9 Ų | 114.9 | 65% | 0.65 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71.6 | -18.9 | 179.7 | -162.1 | 0 | 0 | 0 | 0 | 114.1 | R99 S107 | R99-T103 WeakPolarHBondContact O-CB 3.43Å; R99-T103 WeakPolarHBondContact O-CG2 3.47Å; R99-T103 PolarHBondContact O-N 3.47Å; T103-S107 PolarHBondContact O-OG 3.15Å |
| 104 | S | 49.5 | Very low | 59.1 | Low | 69 Ų | 69 | 115.1 Ų | 115.1 | 48% | 0.483 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -97.1 | -26.7 | -177.8 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | G100 L101 Q102 | G100-S104 PolarHBondContact O-OG 3.25Å; G100-S104 VanDerWaalsContact O-OG 3.04Å; L101-S104 PolarHBondContact O-OG 3.07Å; Q102-S104 VanDerWaalsContact C-N 3.28Å; Q102-S104 PolarHBondContact O-N 3.45Å |
| 105 | R | 48.7 | Very low | 57.2 | Low | 196 Ų | 196 | 113.4 Ų | 113.4 | 74% | 0.74 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -86 | -20.9 | -176 | -76.6 | -173.3 | 168.9 | -174 | -1.6 | 115.4 | S107 | R105-S107 VanDerWaalsContact C-N 3.33Å |
| 106 | C | 44.9 | Very low | 55.2 | Low | 110 Ų | 110 | 118.3 Ų | 118.3 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -83.5 | -8.6 | 177.8 | -64.7 | 0 | 0 | 0 | 0 | 113.7 | S108 | C106-S108 VanDerWaalsContact C-N 3.33Å; C106-S108 PolarHBondContact O-N 3.48Å |
| 107 | S | 53.6 | Low | 53.2 | Low | 96 Ų | 96 | 118 Ų | 118 | 67% | 0.671 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -83.7 | -1.2 | -175.9 | -52.2 | 0 | 0 | 0 | 0 | 114.8 | T103 R105 | T103-S107 PolarHBondContact O-OG 3.15Å; R105-S107 VanDerWaalsContact C-N 3.33Å |
| 108 | S | 53.4 | Low | 51.1 | Low | 97 Ų | 97 | 119.3 Ų | 119.3 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -136.6 | 16.7 | -176 | -59.1 | 0 | 0 | 0 | 0 | 114.9 | C106 | C106-S108 VanDerWaalsContact C-N 3.33Å; C106-S108 PolarHBondContact O-N 3.48Å |
| 109 | L | 48.1 | Very low | 49.9 | Very low | 168 Ų | 168 | 122 Ų | 122 | 88% | 0.88 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 27.7 | 177.3 | -136.3 | 87.6 | 0 | 0 | 0 | 114.7 | ||
| 110 | S | 47.9 | Very low | 49 | Very low | 125 Ų | 125 | 121.5 Ų | 121.5 | 87% | 0.874 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | 25.9 | 160.9 | -160 | 0 | 0 | 0 | 0 | 111.3 | S112 | S110-S112 PolarHBondContact O-N 2.88Š|
| 111 | G | 49.4 | Very low | 47.9 | Very low | 60 Ų | 60 | 127.7 Ų | 127.7 | 62% | 0.619 | 74% | 0.742 | S | S | * | * | trans | -81.4 | 87.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 112 | S | 53.5 | Low | 46.9 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | 58.5 | 104 | 151.1 | -53.6 | 0 | 0 | 0 | 0 | 119.1 | S110 | S110-S112 PolarHBondContact O-N 2.88Š| ||
| 113 | L | 55.1 | Low | 46.1 | Very low | 174 Ų | 174 | 131.8 Ų | 131.8 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | trans | -162.8 | 89.5 | 131.3 | -82.8 | -161 | 0 | 0 | 0 | 110.6 | ||||
| 114 | S | 40.6 | Very low | 46.3 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | trans | 174.2 | 81.4 | 148.4 | -82.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 115 | S | 52.4 | Low | 45.8 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -142.6 | 91 | 150.6 | -176.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 116 | L | 44.4 | Very low | 45.2 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | -151.9 | 122.9 | 178.3 | -155.8 | 128 | 0 | 0 | 0 | 111.4 | ||||
| 117 | V | 44.7 | Very low | 44.8 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | 66.1 | 96.3 | 166.5 | 176.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 118 | T | 39.7 | Very low | 44.6 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -60.6 | 148 | 152.4 | 45.6 | 0 | 0 | 0 | 0 | 111.9 | E120 | T118-E120 PolarHBondContact O-N 3.16Š| ||
| 119 | I | 44.6 | Very low | 43.7 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | trans | -54.2 | 125.6 | 169.9 | -71.4 | 163.4 | 0 | 0 | 0 | 111.6 | ||||
| 120 | E | 43.3 | Very low | 43.3 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | 36.6 | 129.9 | 129.5 | -147.4 | 152.3 | -169.1 | 0 | 0 | 121.7 | T118 | T118-E120 PolarHBondContact O-N 3.16Š| |||
| 121 | E | 37.4 | Very low | 42.4 | Very low | 169 Ų | 169 | 137.8 Ų | 137.8 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | 66.7 | 103.6 | 155.1 | -76.1 | -165.9 | 143.8 | 0 | 0 | 123.5 | ||||
| 122 | H | 32.4 | Very low | 41.8 | Very low | 164 Ų | 164 | 139.8 Ų | 139.8 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | 82.4 | 103 | 117.8 | -143.4 | -77.2 | 0 | 0 | 0 | 120.6 | |||||
| 123 | V | 36.3 | Very low | 40.8 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | -179.6 | 135.1 | 122 | 147.9 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 124 | P | 53.3 | Low | 39.9 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -91.1 | 142.6 | -171.7 | 34.3 | -35.2 | 0 | 0 | 0 | 114.6 | ||||
| 125 | S | 38.3 | Very low | 40 | Very low | 107 Ų | 107 | 145.2 Ų | 145.2 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -153.4 | 120.1 | 165.3 | -167.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 126 | M | 34.9 | Very low | 38.9 | Very low | 163 Ų | 163 | 148.3 Ų | 148.3 | 80% | 0.803 | 79% | 0.793 | S | S | * | * | trans | 52 | 87.6 | 152.3 | -56.4 | -64.1 | 96.5 | 0 | 0 | 120.7 | ||||
| 127 | S | 36.6 | Very low | 38.2 | Very low | 105 Ų | 105 | 145.9 Ų | 145.9 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | 34.7 | 155.1 | 105.6 | -143.1 | 0 | 0 | 0 | 0 | 121 | |||||
| 128 | P | 50.4 | Low | 37.6 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | -135.5 | 177.8 | -57.2 | 41.3 | -26.7 | 0 | 0 | 0 | 112.1 | |||||
| 129 | C | 34.5 | Very low | 37.5 | Very low | 131 Ų | 131 | 147.7 Ų | 147.7 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | 175 | 156.5 | 128.4 | -98 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 130 | R | 38.8 | Very low | 37.2 | Very low | 231 Ų | 231 | 148.4 Ų | 148.4 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -90.7 | 149.3 | -164.7 | -66.3 | 177.6 | 170.6 | 176.5 | -4.2 | 114 | V132 | R130-V132 HydrophobicContact CB-CG2 4.24Š| ||
| 131 | C | 30.7 | Very low | 37 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 91% | 0.905 | 79% | 0.79 | S | S | * | * | trans | -76.9 | 128.4 | 153.6 | -56.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 132 | V | 37 | Very low | 37 | Very low | 102 Ų | 102 | 148.3 Ų | 148.3 | 62% | 0.618 | 80% | 0.796 | S | S | * | * | trans | -141.9 | 119 | 168.7 | 177.1 | 0 | 0 | 0 | 0 | 109.1 | R130 | R130-V132 HydrophobicContact CB-CG2 4.24Š| ||
| 133 | E | 32.3 | Very low | 37.5 | Very low | 186 Ų | 186 | 149.2 Ų | 149.2 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | 58.5 | 135.3 | 150.6 | -64.3 | 166.8 | 174.7 | 0 | 0 | 123.3 | ||||
| 134 | R | 35.2 | Very low | 37.7 | Very low | 238 Ų | 238 | 151.5 Ų | 151.5 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | trans | -97.5 | 168.2 | 151 | -122 | -170 | -156.1 | 148.7 | 7.4 | 106.6 | ||||
| 135 | P | 42.4 | Very low | 37 | Very low | 100 Ų | 100 | 157.1 Ų | 157.1 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | cis | -145.9 | -176.7 | 13.6 | 38.5 | -16.2 | 0 | 0 | 0 | 117.4 | ||||
| 136 | Q | 30.3 | Very low | 37 | Very low | 188 Ų | 188 | 160.2 Ų | 160.2 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | trans | 68.1 | 133.2 | 164.7 | -46.7 | -166.3 | -69.7 | 0 | 0 | 116 | ||||
| 137 | S | 29.5 | Very low | 37.2 | Very low | 112 Ų | 112 | 159.4 Ų | 159.4 | 78% | 0.783 | 83% | 0.825 | S | S | * | * | cis | -163.5 | 162.5 | 45.4 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 138 | S | 31.8 | Very low | 37.2 | Very low | 104 Ų | 104 | 162.7 Ų | 162.7 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | trans | 40 | 107.6 | 148.5 | -176.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 139 | E | 37.4 | Very low | 36.5 | Very low | 193 Ų | 193 | 165.2 Ų | 165.2 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | -147.7 | 136.1 | 115.5 | -76.8 | -148.5 | 138.5 | 0 | 0 | 109.9 | |||||
| 140 | E | 38 | Very low | 36.6 | Very low | 172 Ų | 172 | 164.7 Ų | 164.7 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -97 | 176.2 | -179.7 | -61.9 | 176.7 | 135.9 | 0 | 0 | 111.2 | ||||
| 141 | N | 40.3 | Very low | 36.4 | Very low | 138 Ų | 138 | 162.7 Ų | 162.7 | 74% | 0.738 | 83% | 0.834 | S | S | * | * | trans | 72.3 | 61 | 165.5 | -63.3 | -55.3 | 0 | 0 | 0 | 119.9 | ||||
| 142 | Q | 37.8 | Very low | 37 | Very low | 195 Ų | 195 | 163.5 Ų | 163.5 | 91% | 0.911 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -135.1 | 17.5 | 157.6 | -75.6 | -157.1 | 78.7 | 0 | 0 | 116.7 | ||
| 143 | L | 42.5 | Very low | 36.8 | Very low | 182 Ų | 182 | 165.3 Ų | 165.3 | 95% | 0.953 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -129.8 | 52.7 | 174.2 | -76.9 | 177.7 | 0 | 0 | 0 | 113.7 | ||
| 144 | Q | 40.8 | Very low | 36.8 | Very low | 180 Ų | 180 | 165.9 Ų | 165.9 | 84% | 0.841 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -147.8 | 39.6 | 170.3 | -150 | 161.2 | 16.6 | 0 | 0 | 113 | ||
| 145 | R | 37.7 | Very low | 36.7 | Very low | 234 Ų | 234 | 161.7 Ų | 161.7 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | trans | -149.6 | 38.3 | -175.6 | -146.4 | -177.7 | -171 | -172.6 | 3 | 116.8 | ||||
| 146 | L | 38.1 | Very low | 36.6 | Very low | 171 Ų | 171 | 164.3 Ų | 164.3 | 90% | 0.895 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -141.5 | 47.1 | 169.6 | -74.5 | 179.5 | 0 | 0 | 0 | 112.4 | ||
| 147 | T | 40.2 | Very low | 37.4 | Very low | 146 Ų | 146 | 161 Ų | 161 | 90% | 0.896 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -139.4 | 12.7 | 174.3 | -40.5 | 0 | 0 | 0 | 0 | 113.1 | ||
| 148 | E | 34.8 | Very low | 37.8 | Very low | 175 Ų | 175 | 161.5 Ų | 161.5 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -148 | 133.2 | 173.3 | -96.2 | 178.7 | 135.8 | 0 | 0 | 103.9 | ||||
| 149 | I | 37.5 | Very low | 38.1 | Very low | 157 Ų | 157 | 162.8 Ų | 162.8 | 81% | 0.805 | 83% | 0.832 | S | S | * | * | cis | -142.8 | 136.9 | 26.3 | -48.9 | 91.3 | 0 | 0 | 0 | 109.6 | ||||
| 150 | S | 34.6 | Very low | 37.9 | Very low | 121 Ų | 121 | 157.5 Ų | 157.5 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | -161.7 | 65.6 | 148.3 | 69.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 151 | E | 36.3 | Very low | 37.5 | Very low | 189 Ų | 189 | 157.6 Ų | 157.6 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -83.8 | 117.3 | 155.2 | -76.1 | -170.7 | 137 | 0 | 0 | 109.2 | ||||
| 152 | V | 41.8 | Very low | 36.9 | Very low | 151 Ų | 151 | 159.5 Ų | 159.5 | 92% | 0.915 | 83% | 0.829 | S | S | * | * | trans | -129.8 | 138.1 | 151.9 | 172.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 153 | N | 32.7 | Very low | 36.7 | Very low | 139 Ų | 139 | 157 Ų | 157 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | trans | -96.1 | 167.5 | -155 | -146.7 | -35.3 | 0 | 0 | 0 | 112.1 | ||||
| 154 | R | 32.7 | Very low | 36.1 | Very low | 199 Ų | 199 | 153.4 Ų | 153.4 | 75% | 0.751 | 80% | 0.799 | S | S | * | * | trans | 78 | 137 | 156.7 | -65.2 | -176.6 | 112.5 | 92.3 | 15.7 | 119.3 | ||||
| 155 | E | 34.4 | Very low | 35.9 | Very low | 149 Ų | 149 | 153.2 Ų | 153.2 | 70% | 0.696 | 80% | 0.803 | S | S | * | * | cis | -144.1 | 161.4 | -12 | -55.1 | -156.6 | 150.3 | 0 | 0 | 110.7 | ||||
| 156 | D | 39.9 | Very low | 35.7 | Very low | 155 Ų | 155 | 150.8 Ų | 150.8 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -67.2 | 160.6 | 170.4 | -87.9 | -53.3 | 0 | 0 | 0 | 113.2 | ||||
| 157 | P | 46.6 | Very low | 35.5 | Very low | 120 Ų | 120 | 150.7 Ų | 150.7 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | -143 | 145.3 | 102.7 | 36.5 | -22.2 | 0 | 0 | 0 | 116.8 | |||||
| 158 | T | 37.4 | Very low | 34.9 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -51.3 | 143.2 | 165.8 | -39.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 159 | P | 39.1 | Very low | 35 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | trans | -106.1 | 103.4 | 158.9 | 34.1 | -24.5 | 0 | 0 | 0 | 111.3 | ||||
| 160 | A | 32.8 | Very low | 34.7 | Very low | 82 Ų | 82 | 146.5 Ų | 146.5 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -113.5 | 134.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 161 | F | 29.6 | Very low | 34.7 | Very low | 175 Ų | 175 | 147.7 Ų | 147.7 | 77% | 0.768 | 79% | 0.792 | S | S | * | * | trans | 62.2 | 117.3 | 168.8 | -90.9 | -118.3 | 0 | 0 | 0 | 118.6 | Q163 | F161-Q163 HydrophobicContact CD1-CG 4.01Å; F161-Q163 HydrophobicContact CE1-CG 4.04Å | ||
| 162 | L | 27.6 | Very low | 34.9 | Very low | 178 Ų | 178 | 147.8 Ų | 147.8 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -132.4 | 99.3 | 140.7 | -106.3 | 172.3 | 0 | 0 | 0 | 109.1 | ||||
| 163 | Q | 33.7 | Very low | 34.9 | Very low | 141 Ų | 141 | 146 Ų | 146 | 66% | 0.659 | 78% | 0.781 | S | S | * | * | trans | -83.9 | 172.6 | 155.8 | -66.7 | -174.4 | -2.8 | 0 | 0 | 108.9 | F161 | F161-Q163 HydrophobicContact CD1-CG 4.01Å; F161-Q163 HydrophobicContact CE1-CG 4.04Å | ||
| 164 | D | 30.2 | Very low | 34.9 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 57% | 0.572 | 78% | 0.78 | S | S | * | * | trans | 80.9 | 74.8 | 179.8 | -76.5 | 5.4 | 0 | 0 | 0 | 118 | R166 | D164-R166 IonicContact OD1-NH1 2.72Å; D164-R166 IonicContact OD2-CZ 2.74Å; D164-R166 IonicContact OD2-NH1 2.69Å; D164-R166 PolarHBondContact OD2-NH1 3.42Å | ||
| 165 | L | 36.9 | Very low | 34.9 | Very low | 176 Ų | 176 | 140.7 Ų | 140.7 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -89.6 | 82.6 | 132.5 | -89 | 98.2 | 0 | 0 | 0 | 109.6 | ||||
| 166 | R | 33 | Very low | 34.9 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | trans | -79.8 | 113.4 | 162.3 | -84.3 | -178.2 | 161.9 | 116.4 | -6.7 | 109.2 | D164 T168 | D164-R166 IonicContact OD1-NH1 2.72Å; D164-R166 IonicContact OD2-CZ 2.74Å; D164-R166 IonicContact OD2-NH1 2.69Å; D164-R166 PolarHBondContact OD2-NH1 3.42Å; R166-T168 PolarHBondContact O-N 2.94Å; R166-T168 VanDerWaalsContact O-N 3.09Å | ||
| 167 | L | 33.4 | Very low | 34.5 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | trans | -69.5 | 102.5 | 167.1 | -76.9 | 100.1 | 0 | 0 | 0 | 109.9 | ||||
| 168 | T | 29 | Very low | 35.2 | Very low | 134 Ų | 134 | 142 Ų | 142 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -97.1 | 88.5 | 168.9 | 55.1 | 0 | 0 | 0 | 0 | 110.5 | R166 | R166-T168 PolarHBondContact O-N 2.94Å; R166-T168 VanDerWaalsContact O-N 3.09Å | ||
| 169 | A | 35.4 | Very low | 35.8 | Very low | 86 Ų | 86 | 141.2 Ų | 141.2 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | -117.9 | 94.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 170 | N | 31.3 | Very low | 35.4 | Very low | 169 Ų | 169 | 145.9 Ų | 145.9 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | trans | -163.3 | 88.7 | 161.5 | -103.4 | -34.8 | 0 | 0 | 0 | 110.2 | ||||
| 171 | T | 35 | Very low | 35.3 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 90% | 0.896 | 78% | 0.777 | S | S | * | * | trans | -87.4 | 128.4 | 165 | 33.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 172 | K | 39.5 | Very low | 35.4 | Very low | 192 Ų | 192 | 144.4 Ų | 144.4 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -128 | 136.7 | 170.4 | -175.7 | 179.6 | -177.6 | -178.6 | 0 | 109.1 | ||||
| 173 | P | 43.5 | Very low | 35.6 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -121.1 | 143.8 | 136.5 | 2.6 | 18.2 | 0 | 0 | 0 | 112 | ||||
| 174 | A | 31.3 | Very low | 35.6 | Very low | 88 Ų | 88 | 139 Ų | 139 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | 24.3 | 147 | 122 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 175 | D | 32.7 | Very low | 35.7 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | cis | -170.9 | 143.6 | -9.9 | 179 | 21.7 | 0 | 0 | 0 | 106.6 | ||||
| 176 | Q | 34.2 | Very low | 35.5 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | 166.1 | 143.1 | 160.4 | -97.5 | 155.5 | 104.8 | 0 | 0 | 113 | ||||
| 177 | N | 31.5 | Very low | 35.4 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -157.6 | 167.3 | 179.1 | -112 | -34.1 | 0 | 0 | 0 | 107.1 | ||||
| 178 | P | 61.5 | Low | 35.4 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | cis | -124.6 | -144 | -30.1 | 40 | -19.8 | 0 | 0 | 0 | 108.3 | ||||
| 179 | P | 50.3 | Low | 36.1 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | cis | -145.7 | 157.1 | 45.3 | 40.2 | -19.2 | 0 | 0 | 0 | 119 | ||||
| 180 | R | 30.7 | Very low | 36 | Very low | 227 Ų | 227 | 136.1 Ų | 136.1 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | trans | 63.1 | 153.3 | 149.6 | -80.7 | -177.3 | 171.5 | -129.2 | 1.6 | 118.7 | E182 | R180-E182 IonicContact NH1-OE1 3.88Š| ||
| 181 | A | 32 | Very low | 35.8 | Very low | 69 Ų | 69 | 137.1 Ų | 137.1 | 57% | 0.57 | 76% | 0.759 | S | S | * | * | cis | -149.7 | 155.5 | 10.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 182 | E | 31.8 | Very low | 35.6 | Very low | 157 Ų | 157 | 134.1 Ų | 134.1 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | 60.9 | 140 | 134.9 | -72.8 | 160 | -136.1 | 0 | 0 | 120.2 | R180 | R180-E182 IonicContact NH1-OE1 3.88Š| ||
| 183 | T | 31.3 | Very low | 35.3 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | cis | -154.5 | 153 | 15 | 31.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 184 | S | 33.5 | Very low | 34.7 | Very low | 88 Ų | 88 | 135.3 Ų | 135.3 | 62% | 0.615 | 75% | 0.746 | S | S | * | * | trans | 60 | 119.2 | 142.4 | -65.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 185 | E | 32.1 | Very low | 34.6 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | 71.6 | 137 | 74.8 | -73.8 | -179.2 | 120.9 | 0 | 0 | 113 | |||||
| 186 | L | 33.4 | Very low | 34.5 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | cis | -153.1 | -175.7 | -3.1 | -92.7 | 156.2 | 0 | 0 | 0 | 105.7 | ||||
| 187 | Q | 29.1 | Very low | 34.3 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | cis | -158.6 | 169.2 | 9.9 | -145.2 | 168.7 | -56.8 | 0 | 0 | 110.3 | ||||
| 188 | S | 33.7 | Very low | 34.4 | Very low | 95 Ų | 95 | 134.5 Ų | 134.5 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | trans | -111.2 | 166.8 | 153.9 | -57 | 0 | 0 | 0 | 0 | 110 | ||||
| 189 | P | 43.8 | Very low | 32.9 | Very low | 128 Ų | 128 | 134 Ų | 134 | 83% | 0.831 | 73% | 0.734 | S | S | * | * | -140 | 164.1 | 115 | 37.1 | -25.4 | 0 | 0 | 0 | 114.7 | |||||
| 190 | S | 33.1 | Very low | 32 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | trans | -114.7 | 144.2 | -179.5 | -44.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 191 | E | 28.4 | Very low | 32.1 | Very low | 190 Ų | 190 | 131.2 Ų | 131.2 | 89% | 0.888 | 74% | 0.737 | S | S | * | * | trans | -159.3 | 152.3 | 158.8 | -90.3 | -170.2 | 158.2 | 0 | 0 | 108.9 | ||||
| 192 | S | 30.1 | Very low | 32.6 | Very low | 83 Ų | 83 | 133.6 Ų | 133.6 | 58% | 0.58 | 75% | 0.747 | S | S | * | * | cis | -170.9 | 122.1 | -33.9 | 46.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 193 | I | 33 | Very low | 33.2 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | 74.6 | 142.7 | 134.6 | -55.2 | 165.7 | 0 | 0 | 0 | 121.3 | ||||
| 194 | Q | 30.7 | Very low | 33.6 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | 87.2 | 112.2 | 173.6 | -44.7 | -149.2 | 73.2 | 0 | 0 | 116.4 | ||||
| 195 | V | 30.4 | Very low | 33.5 | Very low | 129 Ų | 129 | 135 Ų | 135 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | cis | 79.5 | 93 | 26.9 | -168.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 196 | E | 29 | Very low | 33.6 | Very low | 151 Ų | 151 | 131.4 Ų | 131.4 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | -160.1 | 121.9 | 127.1 | -101.2 | -179.9 | 108.3 | 0 | 0 | 105.9 | Y198 | E196-Y198 PolarHBondContact OE1-OH 3.18Š| |||
| 197 | S | 31.1 | Very low | 33.5 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | 59.8 | 130.9 | 80.9 | -141.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 198 | Y | 33.3 | Very low | 33.5 | Very low | 179 Ų | 179 | 129.6 Ų | 129.6 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | cis | -152.8 | 145.3 | 39.4 | -28.7 | -90.3 | 0 | 0 | 0 | 113.6 | E196 | E196-Y198 PolarHBondContact OE1-OH 3.18Š| ||
| 199 | A | 31.1 | Very low | 33.6 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | 35.4 | 91.9 | 148.8 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 200 | Q | 30.1 | Very low | 32.9 | Very low | 189 Ų | 189 | 132.3 Ų | 132.3 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | 27.6 | 104.6 | 107.6 | -163.4 | 169.8 | 13.8 | 0 | 0 | 122.4 | |||||
| 201 | A | 33.2 | Very low | 32.8 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 55 | -179.7 | 136.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 202 | P | 42.8 | Very low | 33 | Very low | 119 Ų | 119 | 127 Ų | 127 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | cis | -129.3 | -176.7 | -14 | 41.3 | -24.6 | 0 | 0 | 0 | 114.9 | ||||
| 203 | L | 43.7 | Very low | 33.2 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -76.5 | 154.6 | 160.7 | -64.3 | 171.2 | 0 | 0 | 0 | 111.6 | ||||
| 204 | P | 39.9 | Very low | 33.5 | Very low | 129 Ų | 129 | 129 Ų | 129 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | trans | -139.2 | 175.8 | 138.2 | 37.3 | -23.1 | 0 | 0 | 0 | 114.5 | ||||
| 205 | A | 31.4 | Very low | 34.1 | Very low | 96 Ų | 96 | 126.5 Ų | 126.5 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | trans | -113.8 | 171 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 206 | A | 34.8 | Very low | 34 | Very low | 87 Ų | 87 | 129.4 Ų | 129.4 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | trans | 69 | 128.5 | 153.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 207 | N | 31.5 | Very low | 34.4 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | trans | 166.4 | 116.1 | 135.9 | -81.4 | -26.5 | 0 | 0 | 0 | 107.5 | ||||
| 208 | S | 29.5 | Very low | 34.2 | Very low | 102 Ų | 102 | 132 Ų | 132 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | 82.9 | 107.8 | 68.1 | -168.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 209 | L | 35 | Very low | 34.5 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | 179.9 | 156.8 | 118.1 | -119.2 | 87.2 | 0 | 0 | 0 | 113.9 | |||||
| 210 | D | 28 | Very low | 34.6 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | 63.4 | 148.7 | 155.7 | -78.6 | -25.6 | 0 | 0 | 0 | 122.3 | ||||
| 211 | S | 32.2 | Very low | 35.1 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | cis | -173.8 | 154.5 | -27 | -113.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 212 | A | 32.8 | Very low | 35.1 | Very low | 90 Ų | 90 | 134.3 Ų | 134.3 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | 56.2 | 131.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 213 | D | 33.4 | Very low | 34.5 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | cis | -163.7 | 159.4 | 47.1 | -116.7 | -28.7 | 0 | 0 | 0 | 111.9 | ||||
| 214 | T | 38.8 | Very low | 34.6 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -133.1 | 146 | 162 | 56.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 215 | P | 43.9 | Very low | 34.5 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -138.4 | 124.7 | 132.5 | 32.6 | -18.2 | 0 | 0 | 0 | 114.6 | ||||
| 216 | K | 29 | Very low | 35 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | 58.1 | 89.7 | 117.7 | -156.8 | 171.6 | -173.5 | 176.6 | 0 | 118.9 | |||||
| 217 | S | 36.2 | Very low | 35.4 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | 27.7 | 119.5 | 131.1 | 62.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 218 | E | 27.9 | Very low | 36.3 | Very low | 192 Ų | 192 | 136.5 Ų | 136.5 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -132.5 | 136.8 | 143.6 | -99.3 | -176.7 | 174.1 | 0 | 0 | 109.8 | ||||
| 219 | A | 39.1 | Very low | 37.4 | Very low | 103 Ų | 103 | 139 Ų | 139 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -102.1 | 127.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 220 | L | 34.3 | Very low | 38.4 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | trans | -131.8 | 114.2 | 170.7 | -109.5 | 163.9 | 0 | 0 | 0 | 110 | ||||
| 221 | E | 39.1 | Very low | 39.7 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -69.5 | 172.2 | 174.5 | -102.8 | -73 | 171.2 | 0 | 0 | 112.7 | ||||
| 222 | L | 33.8 | Very low | 41.1 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | 71.2 | 111.3 | 173.5 | -65.2 | 125.2 | 0 | 0 | 0 | 118.5 | ||||
| 223 | G | 30.3 | Very low | 43 | Very low | 73 Ų | 73 | 135.2 Ų | 135.2 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | trans | 175 | 89.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A225 | G223-A225 PolarHBondContact O-N 3.33Š| ||
| 224 | S | 46.6 | Very low | 44.9 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | trans | -63.3 | 92.4 | 179.4 | -170.3 | 0 | 0 | 0 | 0 | 112 | R226 | S224-R226 PolarHBondContact O-N 3.04Š| ||
| 225 | A | 36.9 | Very low | 46.7 | Very low | 74 Ų | 74 | 129.6 Ų | 129.6 | 61% | 0.612 | 71% | 0.706 | S | S | * | * | trans | -75.6 | 57.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G223 F227 | G223-A225 PolarHBondContact O-N 3.33Å; A225-F227 HydrophobicContact CB-CD2 3.96Å; A225-F227 HydrophobicContact CB-CE2 3.78Å; A225-F227 WeakPolarHBondContact O-CD2 3.44Å; A225-F227 PolarHBondContact O-N 3.46Å | ||
| 226 | R | 42.9 | Very low | 48.3 | Very low | 227 Ų | 227 | 128.8 Ų | 128.8 | 86% | 0.857 | 69% | 0.694 | S | S | * | * | trans | -75.9 | 66.2 | 178.4 | -164.9 | 179.4 | -170.7 | 171.2 | 4.3 | 110.7 | S224 H228 | S224-R226 PolarHBondContact O-N 3.04Å; R226-H228 PolarHBondContact O-N 3.13Å | ||
| 227 | F | 41.6 | Very low | 50.4 | Low | 172 Ų | 172 | 124.9 Ų | 124.9 | 75% | 0.754 | 68% | 0.677 | S | S | * | * | trans | -65.3 | 96.1 | -175.8 | -78.9 | -73.3 | 0 | 0 | 0 | 113.1 | A225 I229 | A225-F227 HydrophobicContact CB-CD2 3.96Å; A225-F227 HydrophobicContact CB-CE2 3.78Å; A225-F227 WeakPolarHBondContact O-CD2 3.44Å; A225-F227 PolarHBondContact O-N 3.46Å; F227-I229 PolarHBondContact O-N 3.36Å; F227-I229 VanDerWaalsContact O-N 3.09Å | ||
| 228 | H | 50.4 | Low | 52.2 | Low | 138 Ų | 138 | 126.6 Ų | 126.6 | 64% | 0.639 | 67% | 0.667 | S | S | * | * | trans | 42.6 | 48.5 | 141.2 | -70.5 | -79.5 | 0 | 0 | 0 | 121.1 | R226 R230 | R226-H228 PolarHBondContact O-N 3.13Å; H228-R230 PolarHBondContact O-N 3.49Å; H228-R230 VanDerWaalsContact O-N 3.08Å | ||
| 229 | I | 53.1 | Low | 54.4 | Low | 155 Ų | 155 | 120.2 Ų | 120.2 | 80% | 0.795 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -18.3 | 159.6 | -61.9 | 171.8 | 0 | 0 | 0 | 112.1 | F227 N231 G232 | F227-I229 PolarHBondContact O-N 3.36Å; F227-I229 VanDerWaalsContact O-N 3.09Å; I229-N231 VanDerWaalsContact C-N 3.26Å; I229-N231 PolarHBondContact O-N 3.23Å; I229-N231 VanDerWaalsContact O-N 3.16Å; I229-G232 PolarHBondContact O-N 3.38Å |
| 230 | R | 55.4 | Low | 56.3 | Low | 199 Ų | 199 | 120.2 Ų | 120.2 | 75% | 0.751 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -56 | -31.3 | -178.1 | -164.5 | 177.7 | -174.2 | -167.1 | 1.9 | 114.4 | H228 | H228-R230 PolarHBondContact O-N 3.49Å; H228-R230 VanDerWaalsContact O-N 3.08Å |
| 231 | N | 56.8 | Low | 58.1 | Low | 111 Ų | 111 | 118 Ų | 118 | 59% | 0.594 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -77.1 | -35.9 | -175 | -71.6 | 20 | 0 | 0 | 0 | 112.6 | I229 A233 E234 T235 | I229-N231 VanDerWaalsContact C-N 3.26Å; I229-N231 PolarHBondContact O-N 3.23Å; I229-N231 VanDerWaalsContact O-N 3.16Å; N231-A233 VanDerWaalsContact C-N 3.31Å; N231-A233 PolarHBondContact O-N 3.14Å; N231-E234 PolarHBondContact O-N 3.13Å; N231-T235 PolarHBondContact O-N 2.9Å; N231-T235 PolarHBondContact O-OG1 2.88Å |
| 232 | G | 61.8 | Low | 59.5 | Low | 38 Ų | 38 | 119.1 Ų | 119.1 | 39% | 0.392 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -61.7 | -39.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I229 E234 T235 I236 | I229-G232 PolarHBondContact O-N 3.38Å; G232-E234 PolarHBondContact O-N 3.34Å; G232-T235 PolarHBondContact O-N 3.23Å; G232-I236 WeakPolarHBondContact O-CG1 3.4Å; G232-I236 PolarHBondContact O-N 3.22Å |
| 233 | A | 70.9 | Confident | 60.9 | Low | 42 Ų | 42 | 114.2 Ų | 114.2 | 35% | 0.347 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -59.2 | -40.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N231 I236 K237 | N231-A233 VanDerWaalsContact C-N 3.31Å; N231-A233 PolarHBondContact O-N 3.14Å; A233-I236 PolarHBondContact O-N 3.14Å; A233-K237 WeakPolarHBondContact O-CB 3.35Å; A233-K237 VanDerWaalsContact O-CG 3.24Å; A233-K237 WeakPolarHBondContact O-CG 3.14Å; A233-K237 PolarHBondContact O-N 2.7Å |
| 234 | E | 74.3 | Confident | 62.4 | Low | 84 Ų | 84 | 114.1 Ų | 114.1 | 39% | 0.393 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -74.9 | -27.3 | 178 | -62.1 | -52 | 142.5 | 0 | 0 | 113 | N231 G232 K237 R238 | N231-E234 PolarHBondContact O-N 3.13Å; G232-E234 PolarHBondContact O-N 3.34Å; E234-K237 IonicContact OE1-NZ 2.67Å; E234-K237 PolarHBondContact OE1-NZ 3.17Å; E234-K237 VanDerWaalsContact OE2-CD 3.23Å; E234-K237 WeakPolarHBondContact OE2-CD 3.33Å; E234-K237 IonicContact OE2-NZ 3.71Å; E234-R238 WeakPolarHBondContact O-CB 3.43Å; E234-R238 WeakPolarHBondContact O-CG 3.41Å; E234-R238 PolarHBondContact O-N 2.85Å; E234-R238 PolarHBondContact O-NE 3.46Å |
| 235 | T | 77.1 | Confident | 62.9 | Low | 80 Ų | 80 | 117.9 Ų | 117.9 | 49% | 0.491 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.5 | -44 | 170.6 | -63.2 | 0 | 0 | 0 | 0 | 111.2 | N231 G232 R238 A239 | N231-T235 PolarHBondContact O-N 2.9Å; N231-T235 PolarHBondContact O-OG1 2.88Å; G232-T235 PolarHBondContact O-N 3.23Å; T235-R238 PolarHBondContact O-N 2.97Å; T235-R238 PolarHBondContact OG1-NH2 3.23Å; T235-A239 PolarHBondContact O-N 3.17Å |
| 236 | I | 76.1 | Confident | 63.9 | Low | 105 Ų | 105 | 124.3 Ų | 124.3 | 54% | 0.538 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.6 | -47.3 | 174.2 | -66.3 | 163.7 | 0 | 0 | 0 | 110.9 | G232 A233 R238 A239 L240 | G232-I236 WeakPolarHBondContact O-CG1 3.4Å; G232-I236 PolarHBondContact O-N 3.22Å; A233-I236 PolarHBondContact O-N 3.14Å; I236-R238 VanDerWaalsContact C-N 3.34Å; I236-R238 PolarHBondContact O-N 3.14Å; I236-A239 PolarHBondContact O-N 3.3Å; I236-L240 HydrophobicContact CG2-CD1 3.81Å; I236-L240 HydrophobicContact CG2-CG 4.36Å; I236-L240 WeakPolarHBondContact O-CG 3.4Å; I236-L240 PolarHBondContact O-N 3.2Å |
| 237 | K | 73.8 | Confident | 64.5 | Low | 107 Ų | 107 | 121 Ų | 121 | 47% | 0.465 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -57 | -43.8 | 175.3 | -75.1 | 166.8 | -180 | -179.5 | 0 | 112.4 | A233 E234 L240 L241 | A233-K237 WeakPolarHBondContact O-CB 3.35Å; A233-K237 VanDerWaalsContact O-CG 3.24Å; A233-K237 WeakPolarHBondContact O-CG 3.14Å; A233-K237 PolarHBondContact O-N 2.7Å; E234-K237 IonicContact OE1-NZ 2.67Å; E234-K237 PolarHBondContact OE1-NZ 3.17Å; E234-K237 VanDerWaalsContact OE2-CD 3.23Å; E234-K237 WeakPolarHBondContact OE2-CD 3.33Å; E234-K237 IonicContact OE2-NZ 3.71Å; K237-L240 PolarHBondContact O-N 3.41Å; K237-L241 PolarHBondContact O-N 2.89Å |
| 238 | R | 74.8 | Confident | 65.1 | Low | 143 Ų | 143 | 119.5 Ų | 119.5 | 54% | 0.54 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.6 | -38 | 177.6 | -75.6 | 177.3 | -66.6 | -178.3 | 6.2 | 112.4 | E234 T235 I236 R242 | E234-R238 WeakPolarHBondContact O-CB 3.43Å; E234-R238 WeakPolarHBondContact O-CG 3.41Å; E234-R238 PolarHBondContact O-N 2.85Å; E234-R238 PolarHBondContact O-NE 3.46Å; T235-R238 PolarHBondContact O-N 2.97Å; T235-R238 PolarHBondContact OG1-NH2 3.23Å; I236-R238 VanDerWaalsContact C-N 3.34Å; I236-R238 PolarHBondContact O-N 3.14Å; R238-R242 WeakPolarHBondContact O-CG 3.49Å; R238-R242 PolarHBondContact O-N 3.25Å |
| 239 | A | 73.8 | Confident | 65 | Low | 57 Ų | 57 | 120 Ų | 120 | 47% | 0.471 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.3 | -46.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T235 I236 L241 R242 S243 | T235-A239 PolarHBondContact O-N 3.17Å; I236-A239 PolarHBondContact O-N 3.3Å; A239-L241 PolarHBondContact O-N 3.49Å; A239-R242 PolarHBondContact O-N 3.43Å; A239-S243 PolarHBondContact O-N 2.87Å |
| 240 | L | 77.4 | Confident | 64.6 | Low | 104 Ų | 104 | 121.3 Ų | 121.3 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.5 | -42.1 | 177.6 | -71.3 | 170.3 | 0 | 0 | 0 | 112.5 | I236 K237 R242 S243 S244 | I236-L240 HydrophobicContact CG2-CD1 3.81Å; I236-L240 HydrophobicContact CG2-CG 4.36Å; I236-L240 WeakPolarHBondContact O-CG 3.4Å; I236-L240 PolarHBondContact O-N 3.2Å; K237-L240 PolarHBondContact O-N 3.41Å; L240-R242 VanDerWaalsContact C-N 3.33Å; L240-R242 PolarHBondContact O-N 2.88Å; L240-S243 WeakPolarHBondContact O-CB 3.3Å; L240-S243 PolarHBondContact O-N 2.92Å; L240-S244 PolarHBondContact O-N 3.12Å; L240-S244 PolarHBondContact O-OG 3.14Å |
| 241 | L | 73.4 | Confident | 63.9 | Low | 120 Ų | 120 | 114.9 Ų | 114.9 | 63% | 0.628 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.3 | -39.3 | 175 | -108.6 | 70 | 0 | 0 | 0 | 112.6 | K237 A239 R245 | K237-L241 PolarHBondContact O-N 2.89Å; A239-L241 PolarHBondContact O-N 3.49Å; L241-R245 PolarHBondContact O-N 3.45Å |
| 242 | R | 67.7 | Low | 63.2 | Low | 188 Ų | 188 | 113.7 Ų | 113.7 | 71% | 0.709 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.4 | -37.2 | 175.2 | -73.7 | 171.6 | 174.1 | 164.7 | -3.3 | 111.7 | R238 A239 L240 | R238-R242 WeakPolarHBondContact O-CG 3.49Å; R238-R242 PolarHBondContact O-N 3.25Å; A239-R242 PolarHBondContact O-N 3.43Å; L240-R242 VanDerWaalsContact C-N 3.33Å; L240-R242 PolarHBondContact O-N 2.88Å |
| 243 | S | 64.3 | Low | 62.4 | Low | 63 Ų | 63 | 116.7 Ų | 116.7 | 44% | 0.441 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.7 | -48.9 | 174.8 | -173.9 | 0 | 0 | 0 | 0 | 112.3 | A239 L240 R245 R246 K247 | A239-S243 PolarHBondContact O-N 2.87Å; L240-S243 WeakPolarHBondContact O-CB 3.3Å; L240-S243 PolarHBondContact O-N 2.92Å; S243-R245 VanDerWaalsContact C-N 3.3Å; S243-R245 PolarHBondContact O-N 3.31Å; S243-R246 WeakPolarHBondContact O-CB 3.29Å; S243-R246 PolarHBondContact O-N 3.35Å; S243-K247 PolarHBondContact O-N 2.91Å |
| 244 | S | 61.3 | Low | 61.4 | Low | 72 Ų | 72 | 123.4 Ų | 123.4 | 50% | 0.503 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -60.4 | -34.6 | -179.9 | -71.1 | 0 | 0 | 0 | 0 | 113.7 | L240 R246 K247 Q248 | L240-S244 PolarHBondContact O-N 3.12Å; L240-S244 PolarHBondContact O-OG 3.14Å; S244-R246 VanDerWaalsContact C-N 3.25Å; S244-R246 PolarHBondContact O-N 3.37Å; S244-K247 PolarHBondContact O-N 2.99Å; S244-Q248 PolarHBondContact O-N 3.37Å |
| 245 | R | 57.6 | Low | 59.6 | Low | 197 Ų | 197 | 126.9 Ų | 126.9 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -62.9 | -28.9 | 174.8 | -74.5 | -171.6 | -178.8 | -158.7 | 0.6 | 113.4 | L241 S243 | L241-R245 PolarHBondContact O-N 3.45Å; S243-R245 VanDerWaalsContact C-N 3.3Å; S243-R245 PolarHBondContact O-N 3.31Å |
| 246 | R | 57.3 | Low | 57.6 | Low | 209 Ų | 209 | 128.1 Ų | 128.1 | 79% | 0.789 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -76 | -28.8 | 175.3 | -65.6 | -175.4 | 179.9 | -178.7 | -0.1 | 112.8 | S243 S244 | S243-R246 WeakPolarHBondContact O-CB 3.29Å; S243-R246 PolarHBondContact O-N 3.35Å; S244-R246 VanDerWaalsContact C-N 3.25Å; S244-R246 PolarHBondContact O-N 3.37Å |
| 247 | K | 55.9 | Low | 55.4 | Low | 158 Ų | 158 | 126.8 Ų | 126.8 | 69% | 0.687 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -72.5 | -40.3 | 174.8 | -70.5 | -171.2 | 175.1 | -174.7 | 0 | 112.4 | S243 S244 L249 K250 A251 | S243-K247 PolarHBondContact O-N 2.91Å; S244-K247 PolarHBondContact O-N 2.99Å; K247-L249 VanDerWaalsContact C-N 3.34Å; K247-L249 PolarHBondContact O-N 3.01Å; K247-K250 PolarHBondContact O-N 3.39Å; K247-K250 VanDerWaalsContact O-N 3.08Å; K247-A251 PolarHBondContact O-N 3.32Å |
| 248 | Q | 52.9 | Low | 53.5 | Low | 140 Ų | 140 | 129 Ų | 129 | 65% | 0.654 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -62 | -37 | -179.7 | -68.9 | -72 | 29.4 | 0 | 0 | 113.4 | S244 K250 A251 A252 | S244-Q248 PolarHBondContact O-N 3.37Å; Q248-K250 PolarHBondContact O-N 3.03Å; Q248-A251 PolarHBondContact O-N 2.95Å; Q248-A252 PolarHBondContact O-N 2.78Å |
| 249 | L | 48.6 | Very low | 51.6 | Low | 148 Ų | 148 | 129.6 Ų | 129.6 | 78% | 0.775 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -70.2 | -13 | 176.8 | -70.7 | 173.2 | 0 | 0 | 0 | 114.1 | K247 | K247-L249 VanDerWaalsContact C-N 3.34Å; K247-L249 PolarHBondContact O-N 3.01Å |
| 250 | K | 44.8 | Very low | 49.5 | Very low | 183 Ų | 183 | 135 Ų | 135 | 80% | 0.796 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -103.4 | -11.9 | 175.6 | -164.5 | 159.3 | -177.4 | 172.8 | 0 | 113.5 | K247 Q248 | K247-K250 PolarHBondContact O-N 3.39Å; K247-K250 VanDerWaalsContact O-N 3.08Å; Q248-K250 PolarHBondContact O-N 3.03Å |
| 251 | A | 40.5 | Very low | 47.4 | Very low | 64 Ų | 64 | 135.2 Ų | 135.2 | 53% | 0.529 | 72% | 0.718 | S | S | . | * | H | α-helix | trans | -85.9 | -26.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K247 Q248 S253 | K247-A251 PolarHBondContact O-N 3.32Å; Q248-A251 PolarHBondContact O-N 2.95Å; A251-S253 PolarHBondContact O-N 3.49Å |
| 252 | A | 42 | Very low | 45.2 | Very low | 86 Ų | 86 | 138.2 Ų | 138.2 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 23.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q248 | Q248-A252 PolarHBondContact O-N 2.78Š|
| 253 | S | 46.9 | Very low | 43.5 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.8 | 8.1 | 178.7 | -55.7 | 0 | 0 | 0 | 0 | 114.6 | A251 | A251-S253 PolarHBondContact O-N 3.49Š|
| 254 | Q | 49.4 | Very low | 42.3 | Very low | 184 Ų | 184 | 143.3 Ų | 143.3 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -143.2 | 64.2 | 171.7 | -72.3 | -170.8 | -72.4 | 0 | 0 | 111.4 | ||
| 255 | D | 35.9 | Very low | 40.6 | Very low | 157 Ų | 157 | 145.3 Ų | 145.3 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | trans | -157.1 | 110.4 | 148.4 | -165.8 | 9.5 | 0 | 0 | 0 | 111.3 | ||||
| 256 | A | 35.1 | Very low | 39.5 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 88% | 0.876 | 76% | 0.764 | S | S | * | * | trans | -171.2 | 104.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 257 | G | 29.6 | Very low | 38.2 | Very low | 76 Ų | 76 | 142.5 Ų | 142.5 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | trans | 147.1 | 74.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 258 | E | 34.1 | Very low | 36.8 | Very low | 155 Ų | 155 | 141 Ų | 141 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | -100.5 | 131.9 | 148.6 | -95.3 | -148.1 | 133.3 | 0 | 0 | 110.7 | ||||
| 259 | K | 35.6 | Very low | 35.8 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | trans | 63.3 | 112.9 | 152.8 | -61.9 | 159.5 | -174.2 | 147.2 | 0 | 118.2 | ||||
| 260 | N | 28.9 | Very low | 34.9 | Very low | 171 Ų | 171 | 139.4 Ų | 139.4 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | -167.7 | 170.1 | 107.4 | -91.2 | -27.8 | 0 | 0 | 0 | 112.7 | |||||
| 261 | S | 32.9 | Very low | 34.1 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -84.5 | 178.9 | -165.5 | -165.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 262 | E | 28.9 | Very low | 33.7 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | 84.4 | 111 | 160 | -58 | -179.6 | 162.1 | 0 | 0 | 119.5 | ||||
| 263 | R | 30.2 | Very low | 33.1 | Very low | 244 Ų | 244 | 143 Ų | 143 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -89.8 | 167.9 | 145.2 | -72.1 | -178.1 | 176.9 | 170.9 | -0.4 | 107.8 | ||||
| 264 | P | 40.2 | Very low | 32.3 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | cis | -137.4 | 178.6 | 11.9 | 37.3 | -17.6 | 0 | 0 | 0 | 115.9 | ||||
| 265 | T | 26.3 | Very low | 31.5 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | 146.9 | 107.4 | 127.4 | -61.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 266 | Q | 33.8 | Very low | 31.3 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | trans | 43 | 153.5 | 142.1 | -56.2 | -173.3 | -14.1 | 0 | 0 | 124.2 | ||||
| 267 | Q | 29.7 | Very low | 31.4 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | 76.8 | 135.6 | 168.1 | -45.9 | -177.6 | 14.9 | 0 | 0 | 113.9 | ||||
| 268 | S | 27.3 | Very low | 31.6 | Very low | 126 Ų | 126 | 149.3 Ų | 149.3 | 88% | 0.881 | 76% | 0.758 | S | S | * | * | cis | -135.9 | 174.3 | 19.1 | -167.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 269 | L | 30.2 | Very low | 31.6 | Very low | 148 Ų | 148 | 148.4 Ų | 148.4 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | -123.7 | 124.4 | -166.7 | -180 | 165.3 | 0 | 0 | 0 | 111.5 | V271 | L269-V271 HydrophobicContact CD2-CG2 4.33Š| ||
| 270 | S | 31.1 | Very low | 31.9 | Very low | 106 Ų | 106 | 149.4 Ų | 149.4 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | -173.5 | 120.9 | 159.3 | 51 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 271 | V | 27.9 | Very low | 32.3 | Very low | 116 Ų | 116 | 148.8 Ų | 148.8 | 70% | 0.703 | 76% | 0.762 | S | S | * | * | 59.8 | 120 | 70.2 | 177.4 | 0 | 0 | 0 | 0 | 109.6 | L269 | L269-V271 HydrophobicContact CD2-CG2 4.33Š| |||
| 272 | F | 31.4 | Very low | 32.5 | Very low | 178 Ų | 178 | 153.1 Ų | 153.1 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | cis | -165.2 | 169.1 | 10.1 | -128.1 | -162.1 | 0 | 0 | 0 | 108.1 | ||||
| 273 | N | 30 | Very low | 33.1 | Very low | 114 Ų | 114 | 150.2 Ų | 150.2 | 61% | 0.61 | 77% | 0.77 | S | S | * | * | cis | -159 | 166.1 | -4.1 | -154.5 | 5 | 0 | 0 | 0 | 113.3 | ||||
| 274 | R | 30.5 | Very low | 33.3 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 60% | 0.596 | 77% | 0.767 | S | S | * | * | trans | -13.4 | 137.8 | 153.6 | -178.3 | -171.7 | -115.8 | -89.3 | -4 | 121.1 | E276 | R274-E276 IonicContact CZ-OE1 3.09Å; R274-E276 IonicContact CZ-OE2 3.36Å; R274-E276 VanDerWaalsContact NH1-CD 3.27Å; R274-E276 IonicContact NH1-OE1 3.78Å; R274-E276 IonicContact NH1-OE2 2.69Å; R274-E276 PolarHBondContact NH1-OE2 3Å; R274-E276 IonicContact NH2-OE1 2.76Å; R274-E276 PolarHBondContact NH2-OE1 3.39Å; R274-E276 IonicContact NH2-OE2 2.75Å; R274-E276 PolarHBondContact NH2-OE2 2.91Å | ||
| 275 | Q | 31.9 | Very low | 33.2 | Very low | 184 Ų | 184 | 143.8 Ų | 143.8 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -140.5 | 118.2 | 133.5 | -168.2 | 71.6 | 43.9 | 0 | 0 | 109.5 | ||||
| 276 | E | 32.8 | Very low | 33.4 | Very low | 119 Ų | 119 | 142 Ų | 142 | 56% | 0.556 | 78% | 0.776 | S | S | * | * | trans | -103.6 | 142.5 | 172.1 | -77.7 | 171.1 | -173.9 | 0 | 0 | 110 | R274 | R274-E276 IonicContact CZ-OE1 3.09Å; R274-E276 IonicContact CZ-OE2 3.36Å; R274-E276 VanDerWaalsContact NH1-CD 3.27Å; R274-E276 IonicContact NH1-OE1 3.78Å; R274-E276 IonicContact NH1-OE2 2.69Å; R274-E276 PolarHBondContact NH1-OE2 3Å; R274-E276 IonicContact NH2-OE1 2.76Å; R274-E276 PolarHBondContact NH2-OE1 3.39Å; R274-E276 IonicContact NH2-OE2 2.75Å; R274-E276 PolarHBondContact NH2-OE2 2.91Å | ||
| 277 | V | 36.4 | Very low | 33.9 | Very low | 136 Ų | 136 | 138 Ų | 138 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -150.1 | 95 | 139.6 | -176.2 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 278 | K | 33.3 | Very low | 34.4 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | 73.3 | 114.1 | 93.3 | -159.7 | -157.3 | 172.2 | -141.6 | 0 | 113.2 | E280 | K278-E280 IonicContact NZ-OE1 3.87Å; K278-E280 PolarHBondContact NZ-OE1 2.85Å | |||
| 279 | D | 34.5 | Very low | 35.3 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -72.9 | 157.4 | 179.4 | -32.8 | -90.3 | 0 | 0 | 0 | 112.7 | ||||
| 280 | E | 40.9 | Very low | 36.3 | Very low | 176 Ų | 176 | 137.9 Ų | 137.9 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -138.5 | 127.8 | 136.9 | -67 | -159 | 170.3 | 0 | 0 | 109.3 | K278 | K278-E280 IonicContact NZ-OE1 3.87Å; K278-E280 PolarHBondContact NZ-OE1 2.85Å | ||
| 281 | D | 39 | Very low | 37.3 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -80.6 | 136.9 | 175.4 | -75.7 | -63.1 | 0 | 0 | 0 | 111 | ||||
| 282 | E | 37.1 | Very low | 38.4 | Very low | 200 Ų | 200 | 141.6 Ų | 141.6 | 94% | 0.935 | 77% | 0.77 | S | S | * | * | trans | -136 | 120.7 | 139.8 | -92 | -146.6 | 131.1 | 0 | 0 | 110.9 | ||||
| 283 | S | 39.8 | Very low | 39 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -88.6 | 123.7 | 171.2 | 170.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 284 | S | 34.9 | Very low | 39.6 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -136 | 138.5 | 160 | -167.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 285 | A | 38.2 | Very low | 40.6 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -87 | 170.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 286 | G | 29.9 | Very low | 41.3 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | 132.7 | 95.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 287 | G | 44.5 | Very low | 42.1 | Very low | 83 Ų | 83 | 135.7 Ų | 135.7 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -74.2 | 132.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 288 | E | 41.4 | Very low | 42.6 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -132.5 | 108.2 | 161 | -84.6 | -150.2 | 133.2 | 0 | 0 | 110.2 | ||||
| 289 | K | 46.3 | Very low | 43.3 | Very low | 137 Ų | 137 | 137 Ų | 137 | 60% | 0.596 | 78% | 0.781 | S | S | * | * | trans | 48.3 | 112.4 | 145 | 27.4 | -175 | 170.5 | -168.4 | 0 | 116.9 | L291 | K289-L291 PolarHBondContact O-N 3.48Š| ||
| 290 | D | 49.9 | Very low | 43.9 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | -56.3 | 79.6 | 150.9 | -68 | -54.8 | 0 | 0 | 0 | 110.1 | L292 | D290-L292 PolarHBondContact O-N 3.17Š| ||
| 291 | L | 52.3 | Low | 44.4 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | -62 | 105.8 | 164.8 | -72.7 | 169.3 | 0 | 0 | 0 | 106.3 | K289 G293 | K289-L291 PolarHBondContact O-N 3.48Å; L291-G293 PolarHBondContact O-N 3.09Å | ||
| 292 | L | 52.4 | Low | 45 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -52.7 | 106.8 | 177.2 | -82.2 | 88.6 | 0 | 0 | 0 | 108.6 | D290 Y294 | D290-L292 PolarHBondContact O-N 3.17Å; L292-Y294 PolarHBondContact O-N 2.83Å | ||
| 293 | G | 42.7 | Very low | 45.9 | Very low | 75 Ų | 75 | 133.1 Ų | 133.1 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | -68.4 | 77.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L291 D295 | L291-G293 PolarHBondContact O-N 3.09Å; G293-D295 PolarHBondContact O-N 3.1Å | ||
| 294 | Y | 42.9 | Very low | 46.7 | Very low | 210 Ų | 210 | 136 Ų | 136 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -66.8 | 87 | 158.6 | -97.4 | -82 | 0 | 0 | 0 | 107.7 | L292 A296 | L292-Y294 PolarHBondContact O-N 2.83Å; Y294-A296 PolarHBondContact O-N 2.83Å | ||
| 295 | D | 51.9 | Low | 47.7 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 58% | 0.578 | 75% | 0.751 | S | S | * | * | trans | -47 | 101.6 | 178.9 | -171.9 | 26.6 | 0 | 0 | 0 | 110.6 | G293 Q297 | G293-D295 PolarHBondContact O-N 3.1Å; D295-Q297 PolarHBondContact O-N 2.82Å; D295-Q297 VanDerWaalsContact OD1-CG 3.28Å; D295-Q297 WeakPolarHBondContact OD1-CG 3.47Å; D295-Q297 PolarHBondContact OD1-NE2 3.12Å; D295-Q297 PolarHBondContact OD2-NE2 2.93Å | ||
| 296 | A | 46.4 | Very low | 48.7 | Very low | 92 Ų | 92 | 138.7 Ų | 138.7 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | trans | -76.6 | 36.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y294 W298 | Y294-A296 PolarHBondContact O-N 2.83Å; A296-W298 PolarHBondContact O-N 3.11Å | ||
| 297 | Q | 48.7 | Very low | 50 | Low | 144 Ų | 144 | 140.2 Ų | 140.2 | 67% | 0.673 | 74% | 0.743 | S | S | * | * | trans | -77 | 47.4 | 179.6 | -73.1 | -179.3 | 41.1 | 0 | 0 | 112.9 | D295 S299 | D295-Q297 PolarHBondContact O-N 2.82Å; D295-Q297 VanDerWaalsContact OD1-CG 3.28Å; D295-Q297 WeakPolarHBondContact OD1-CG 3.47Å; D295-Q297 PolarHBondContact OD1-NE2 3.12Å; D295-Q297 PolarHBondContact OD2-NE2 2.93Å; Q297-S299 PolarHBondContact O-N 2.86Å | ||
| 298 | W | 47.4 | Very low | 50.6 | Low | 224 Ų | 224 | 142.6 Ų | 142.6 | 85% | 0.848 | 74% | 0.741 | S | S | * | * | trans | -77.6 | 70.5 | 162.6 | -71.8 | 81.4 | 0 | 0 | 0 | 109.5 | A296 W300 | A296-W298 PolarHBondContact O-N 3.11Å; W298-W300 PolarHBondContact O-N 3.12Å | ||
| 299 | S | 49.1 | Very low | 51 | Low | 98 Ų | 98 | 144.1 Ų | 144.1 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | trans | -71 | 111.6 | 168.2 | 62.1 | 0 | 0 | 0 | 0 | 109.4 | Q297 V301 | Q297-S299 PolarHBondContact O-N 2.86Å; S299-V301 PolarHBondContact O-N 2.89Å; S299-V301 VanDerWaalsContact O-N 3.08Å | ||
| 300 | W | 45.4 | Very low | 51.1 | Low | 213 Ų | 213 | 149.6 Ų | 149.6 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -65.2 | 106.9 | 166.6 | -68.6 | 90.4 | 0 | 0 | 0 | 108 | W298 E302 | W298-W300 PolarHBondContact O-N 3.12Å; W300-E302 PolarHBondContact O-N 3.47Å | ||
| 301 | V | 51.5 | Low | 51.2 | Low | 126 Ų | 126 | 149 Ų | 149 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | -73.8 | 108.3 | 166.6 | 178.3 | 0 | 0 | 0 | 0 | 106.5 | S299 S303 | S299-V301 PolarHBondContact O-N 2.89Å; S299-V301 VanDerWaalsContact O-N 3.08Å; V301-S303 PolarHBondContact O-N 3.11Å | ||
| 302 | E | 52.1 | Low | 51.1 | Low | 171 Ų | 171 | 149 Ų | 149 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -59.5 | 101 | 169.9 | -173.2 | 177.3 | -145.8 | 0 | 0 | 108.5 | W300 K304 | W300-E302 PolarHBondContact O-N 3.47Å; E302-K304 PolarHBondContact O-N 2.72Å | ||
| 303 | S | 55.6 | Low | 51.1 | Low | 78 Ų | 78 | 148.9 Ų | 148.9 | 55% | 0.545 | 78% | 0.775 | S | S | . | * | trans | -69.6 | 113.2 | 176.7 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | V301 D305 | V301-S303 PolarHBondContact O-N 3.11Å; S303-D305 PolarHBondContact O-N 3.09Å | ||
| 304 | K | 57.4 | Low | 51.6 | Low | 182 Ų | 182 | 153.2 Ų | 153.2 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 9.8 | -174.2 | -136.3 | 172.5 | -172 | 169.6 | 0 | 113.9 | E302 | E302-K304 PolarHBondContact O-N 2.72Š|
| 305 | D | 56 | Low | 52.1 | Low | 131 Ų | 131 | 149.7 Ų | 149.7 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -8.9 | -165.6 | -70.8 | -26.4 | 0 | 0 | 0 | 114.5 | S303 V307 | S303-D305 PolarHBondContact O-N 3.09Å; D305-V307 VanDerWaalsContact C-N 3.3Å; D305-V307 PolarHBondContact O-N 2.69Å |
| 306 | D | 57.9 | Low | 52.1 | Low | 149 Ų | 149 | 152.5 Ų | 152.5 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -90.4 | 34.3 | -177.2 | -68.2 | -26.8 | 0 | 0 | 0 | 114.2 | ||
| 307 | V | 58.9 | Low | 52.5 | Low | 108 Ų | 108 | 156.8 Ų | 156.8 | 66% | 0.655 | 79% | 0.787 | S | S | * | * | trans | -136.5 | 69.8 | 169.1 | -165.2 | 0 | 0 | 0 | 0 | 111.5 | D305 F309 | D305-V307 VanDerWaalsContact C-N 3.3Å; D305-V307 PolarHBondContact O-N 2.69Å; V307-F309 HydrophobicContact CG1-CD2 3.78Å; V307-F309 HydrophobicContact CG1-CE2 3.49Å; V307-F309 VanDerWaalsContact CG1-CE2 3.49Å; V307-F309 HydrophobicContact CG1-CZ 4.47Å | ||
| 308 | T | 55.9 | Low | 52.8 | Low | 133 Ų | 133 | 157.8 Ų | 157.8 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | -113.5 | 95.4 | 152.6 | 56.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 309 | F | 50.7 | Low | 53.3 | Low | 186 Ų | 186 | 152.3 Ų | 152.3 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | trans | -60.7 | 131.4 | 163.7 | -67.6 | -89.2 | 0 | 0 | 0 | 109.7 | V307 | V307-F309 HydrophobicContact CG1-CD2 3.78Å; V307-F309 HydrophobicContact CG1-CE2 3.49Å; V307-F309 VanDerWaalsContact CG1-CE2 3.49Å; V307-F309 HydrophobicContact CG1-CZ 4.47Å | ||
| 310 | L | 48.4 | Very low | 53.6 | Low | 252 Ų | 252 | 157.2 Ų | 157.2 | 100% | 1.319 | 80% | 0.801 | S | S | * | * | trans | -153.4 | 0 | 148.7 | -137 | 78.3 | 0 | 0 | 0 | 109.4 |
Retrieved 310 of 310 residues in 258 ms
(Link to these results)