| 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 | 42.8 | Very low | 47.9 | Very low | 230 Ų | 230 | 152.7 Ų | 152.7 | 100% | 1.133 | 83% | 0.826 | S | S | * | * | 0 | 86.6 | 0 | -67.2 | 173.2 | -178.3 | 0 | 0 | 109.1 | |||||
| 2 | T | 40.2 | Very low | 47.6 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | trans | -153.7 | 95.2 | -179.1 | 49.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 3 | N | 51.9 | Low | 47.9 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -150.4 | 37.8 | 172.6 | -100 | -24.1 | 0 | 0 | 0 | 111.5 | ||||
| 4 | E | 52 | Low | 48.2 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -141.6 | 39.9 | -173.3 | -64.8 | -167.2 | 149.4 | 0 | 0 | 114.9 | ||||
| 5 | M | 54.6 | Low | 49.1 | Very low | 191 Ų | 191 | 145 Ų | 145 | 94% | 0.941 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -123.1 | 13.6 | 170 | -88.4 | -176.5 | 158.9 | 0 | 0 | 114.6 | ||
| 6 | K | 47.1 | Very low | 50.6 | Low | 207 Ų | 207 | 139.8 Ų | 139.8 | 90% | 0.9 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -100.3 | 6.7 | 176.5 | -147.1 | 170.4 | -178.2 | 174.1 | 0 | 114.6 | ||
| 7 | E | 44.7 | Very low | 52.8 | Low | 156 Ų | 156 | 139.6 Ų | 139.6 | 73% | 0.729 | 76% | 0.764 | S | S | * | * | trans | -117.9 | 1.3 | -174.9 | -64.4 | -170.7 | 159 | 0 | 0 | 114.7 | S9 A10 | E7-S9 PolarHBondContact O-N 3.3Å; E7-A10 WeakPolarHBondContact O-CB 3.47Å; E7-A10 PolarHBondContact O-N 3.49Å; E7-A10 VanDerWaalsContact O-N 3.11Å | ||
| 8 | A | 46.1 | Very low | 55.1 | Low | 87 Ų | 87 | 134.8 Ų | 134.8 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -8.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A10 | A8-A10 VanDerWaalsContact C-N 3.34Š|
| 9 | S | 52.6 | Low | 57.3 | Low | 104 Ų | 104 | 127.7 Ų | 127.7 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -3.4 | 170.6 | -73.2 | 0 | 0 | 0 | 0 | 113.9 | E7 | E7-S9 PolarHBondContact O-N 3.3Š|
| 10 | A | 50.6 | Low | 59.2 | Low | 73 Ų | 73 | 127.3 Ų | 127.3 | 60% | 0.603 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -94.8 | -2.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E7 A8 | E7-A10 WeakPolarHBondContact O-CB 3.47Å; E7-A10 PolarHBondContact O-N 3.49Å; E7-A10 VanDerWaalsContact O-N 3.11Å; A8-A10 VanDerWaalsContact C-N 3.34Å |
| 11 | L | 44.6 | Very low | 60.8 | Low | 159 Ų | 159 | 124.4 Ų | 124.4 | 83% | 0.832 | 69% | 0.688 | S | S | * | * | trans | -96.2 | 8.2 | -175.3 | -63.8 | 178.5 | 0 | 0 | 0 | 115.3 | A13 | L11-A13 VanDerWaalsContact C-N 3.31Å; L11-A13 PolarHBondContact O-N 3.37Å | ||
| 12 | G | 44.3 | Very low | 63.3 | Low | 49 Ų | 49 | 115.2 Ų | 115.2 | 51% | 0.505 | 65% | 0.647 | S | S | . | * | trans | -85.4 | 16.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R14 T15 | G12-R14 PolarHBondContact O-N 3.45Å; G12-T15 PolarHBondContact O-N 3.38Å | ||
| 13 | A | 50.5 | Low | 65.8 | Low | 94 Ų | 94 | 115.5 Ų | 115.5 | 78% | 0.777 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 18.3 | -164.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | L11 | L11-A13 VanDerWaalsContact C-N 3.31Å; L11-A13 PolarHBondContact O-N 3.37Å |
| 14 | R | 52.2 | Low | 67.7 | Low | 239 Ų | 239 | 116.9 Ų | 116.9 | 90% | 0.902 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.1 | -25 | -176.6 | -45.9 | -178.4 | -168.8 | -91.4 | -0.4 | 114.3 | G12 | G12-R14 PolarHBondContact O-N 3.45Š|
| 15 | T | 61.6 | Low | 69.7 | Low | 113 Ų | 113 | 111.9 Ų | 111.9 | 69% | 0.693 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -105 | 117.1 | 177.9 | 54.7 | 0 | 0 | 0 | 0 | 108.3 | G12 R17 | G12-T15 PolarHBondContact O-N 3.38Å; T15-R17 PolarHBondContact O-N 3.33Å |
| 16 | A | 73.7 | Confident | 71.6 | Confident | 62 Ų | 62 | 106.3 Ų | 106.3 | 51% | 0.512 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 134 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R26 | A16-R26 HydrophobicContact CB-CG 3.52Š|
| 17 | R | 88.2 | Confident | 73.9 | Confident | 136 Ų | 136 | 96.6 Ų | 96.6 | 51% | 0.513 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 141 | -178.8 | -72.2 | -162.7 | 172.1 | -176.3 | -2.3 | 111.6 | T15 A27 F37 | T15-R17 PolarHBondContact O-N 3.33Å; R17-A27 WeakPolarHBondContact O-CB 3.44Å; R17-A27 PolarHBondContact O-N 3.16Å; R17-F37 VanDerWaalsContact NH1-CZ 3.32Å |
| 18 | A | 94.2 | Very high | 76.2 | Confident | 54 Ų | 54 | 95 Ų | 95 | 45% | 0.446 | 54% | 0.537 | S | S | . | . | B | Isolated β-bridge | trans | -73.9 | 156.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | E20 | A18-E20 PolarHBondContact O-N 3.2Å |
| 19 | C | 95.9 | Very high | 78.6 | Confident | 0 Ų | 0 | 93.9 Ų | 93.9 | 0% | 0 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 128.1 | 171.4 | 176.1 | 0 | 0 | 0 | 0 | 109.7 | S21 C22 L23 V25 F37 C39 | C19-S21 VanDerWaalsContact C-N 3.31Å; C19-S21 PolarHBondContact O-N 3.31Å; C19-C22 VanDerWaalsContact CB-SG 3.58Å; C19-C22 VanDerWaalsContact SG-SG 3.62Å; C19-L23 WeakPolarHBondContact O-CA 3.35Å; C19-L23 PolarHBondContact O-N 2.99Å; C19-V25 WeakPolarHBondContact CB-O 3.48Å; C19-V25 PolarHBondContact N-O 3.01Å; C19-F37 CarbonylContact C-O 3.49Å; C19-F37 WeakPolarHBondContact CA-O 3.41Å; C19-C39 HydrophobicContact CB-CB 3.8Å; C19-C39 PolarHBondContact SG-N 3.2Å |
| 20 | E | 95.5 | Very high | 80.7 | Confident | 119 Ų | 119 | 91.8 Ų | 91.8 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -23.6 | -175.6 | -158.2 | 143.3 | -159.5 | 0 | 0 | 113.1 | A18 F37 | A18-E20 PolarHBondContact O-N 3.2Å; E20-F37 PolarHBondContact N-O 2.94Å |
| 21 | S | 93.3 | Very high | 82.8 | Confident | 66 Ų | 66 | 88.4 Ų | 88.4 | 46% | 0.462 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -43.8 | 179.1 | 170.2 | 0 | 0 | 0 | 0 | 113.1 | C19 C42 | C19-S21 VanDerWaalsContact C-N 3.31Å; C19-S21 PolarHBondContact O-N 3.31Å; S21-C42 VanDerWaalsContact CB-SG 3.6Å; S21-C42 PolarHBondContact OG-SG 2.88Å; S21-C42 VanDerWaalsContact OG-SG 3.42Å |
| 22 | C | 95.7 | Very high | 85.2 | Confident | 38 Ų | 38 | 83.2 Ų | 83.2 | 26% | 0.257 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -15.7 | -176.6 | 71.1 | 0 | 0 | 0 | 0 | 114.3 | C19 K24 | C19-C22 VanDerWaalsContact CB-SG 3.58Å; C19-C22 VanDerWaalsContact SG-SG 3.62Å; C22-K24 VanDerWaalsContact O-CG 3.3Å; C22-K24 WeakPolarHBondContact O-CG 3.35Å; C22-K24 PolarHBondContact O-N 3.05Å |
| 23 | L | 93.4 | Very high | 87.6 | Confident | 130 Ų | 130 | 84 Ų | 84 | 68% | 0.681 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 55.4 | 0.6 | -179 | -56 | 174.4 | 0 | 0 | 0 | 116.1 | C19 | C19-L23 WeakPolarHBondContact O-CA 3.35Å; C19-L23 PolarHBondContact O-N 2.99Å |
| 24 | K | 91.6 | Very high | 89.7 | Confident | 194 Ų | 194 | 83 Ų | 83 | 84% | 0.843 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -99.7 | -37 | -174.7 | -69.5 | 166.6 | -173.5 | -175.1 | 0 | 113 | C22 | C22-K24 VanDerWaalsContact O-CG 3.3Å; C22-K24 WeakPolarHBondContact O-CG 3.35Å; C22-K24 PolarHBondContact O-N 3.05Å |
| 25 | V | 93.3 | Very high | 91.8 | Very high | 79 Ų | 79 | 76.7 Ų | 76.7 | 48% | 0.479 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -108.4 | 146.7 | -171.1 | -175 | 0 | 0 | 0 | 0 | 109.6 | C19 C39 | C19-V25 WeakPolarHBondContact CB-O 3.48Å; C19-V25 PolarHBondContact N-O 3.01Å; V25-C39 HydrophobicContact CB-CB 3.89Å; V25-C39 HydrophobicContact CG1-CB 3.79Å |
| 26 | R | 94 | Very high | 93.4 | Very high | 73 Ų | 73 | 72.1 Ų | 72.1 | 28% | 0.275 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -59 | 135.1 | 172.3 | -172.5 | 177.3 | 71 | 93.9 | -8.7 | 111.8 | A16 T63 | A16-R26 HydrophobicContact CB-CG 3.52Å; R26-T63 PolarHBondContact NH1-OG1 2.8Å; R26-T63 VanDerWaalsContact NH1-OG1 3.08Å; R26-T63 PolarHBondContact NH2-OG1 3.24Å |
| 27 | A | 95 | Very high | 94.4 | Very high | 3 Ų | 3 | 70.9 Ų | 70.9 | 3% | 0.025 | 37% | 0.367 | C | S | . | . | trans | -65.1 | 138.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | R17 F37 L61 | R17-A27 WeakPolarHBondContact O-CB 3.44Å; R17-A27 PolarHBondContact O-N 3.16Å; A27-F37 HydrophobicContact CB-CB 3.72Å; A27-L61 HydrophobicContact CB-CD1 3.82Å | ||
| 28 | R | 94.5 | Very high | 94.8 | Very high | 122 Ų | 122 | 64.8 Ų | 64.8 | 46% | 0.46 | 34% | 0.344 | S | S | . | . | trans | -120.5 | -20.7 | 177.4 | -75.1 | -176.8 | 159.4 | -114.6 | 1.1 | 112.4 | L38 L61 | R28-L38 PolarHBondContact N-O 3.41Å; R28-L61 PolarHBondContact O-N 3.18Å | ||
| 29 | W | 95.5 | Very high | 94.9 | Very high | 64 Ų | 64 | 62.7 Ų | 62.7 | 24% | 0.242 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 146.4 | -176.1 | -62.6 | 100.6 | 0 | 0 | 0 | 110.1 | F37 L38 H40 D43 R58 V59 K60 | W29-F37 CarbonylContact O-C 3.47Å; W29-F37 WeakPolarHBondContact O-CA 3.46Å; W29-L38 PolarHBondContact N-O 3.12Å; W29-L38 PolarHBondContact O-N 2.84Å; W29-H40 AromaticContact NE1-ND1 3.79Å; W29-D43 HydrophobicContact CB-CB 4.41Å; W29-D43 HydrophobicContact CG-CB 4.27Å; W29-R58 HydrophobicContact CE3-CB 4.15Å; W29-V59 WeakPolarHBondContact CA-O 3.41Å; W29-K60 HydrophobicContact CE3-CB 4.1Å; W29-K60 HydrophobicContact CH2-CB 4.31Å; W29-K60 HydrophobicContact CZ3-CB 3.85Å; W29-K60 HydrophobicContact CZ3-CG 4.46Å |
| 30 | Y | 96.4 | Very high | 94.8 | Very high | 61 Ų | 61 | 67.6 Ų | 67.6 | 24% | 0.239 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.4 | 166.8 | 172.1 | -105.9 | 0 | 0 | 0 | 108.4 | A32 D35 A36 F37 R58 V59 | Y30-A32 HydrophobicContact CE1-CB 3.99Å; Y30-D35 WeakPolarHBondContact CE2-OD1 3.43Å; Y30-D35 PolarHBondContact OH-OD1 2.98Å; Y30-A36 WeakPolarHBondContact CA-O 3.38Å; Y30-F37 HydrophobicContact CD2-CD1 4.2Å; Y30-F37 HydrophobicContact CD2-CD2 4.25Å; Y30-F37 AromaticContact CD2-CE1 3.83Å; Y30-F37 HydrophobicContact CD2-CE1 3.83Å; Y30-F37 AromaticContact CD2-CE2 3.85Å; Y30-F37 HydrophobicContact CD2-CE2 3.85Å; Y30-F37 HydrophobicContact CD2-CG 4.39Å; Y30-F37 AromaticContact CD2-CZ 3.63Å; Y30-F37 HydrophobicContact CD2-CZ 3.63Å; Y30-F37 HydrophobicContact CE2-CE2 4Å; Y30-F37 AromaticContact CE2-CZ 3.99Å; Y30-F37 HydrophobicContact CE2-CZ 3.99Å; Y30-F37 HydrophobicContact CG-CE1 4.38Å; Y30-F37 HydrophobicContact CG-CZ 4.5Å; Y30-R58 CarbonylContact O-C 3.6Å; Y30-R58 WeakPolarHBondContact O-CA 3.47Å; Y30-V59 PolarHBondContact N-O 2.79Å; Y30-V59 PolarHBondContact O-N 3.23Å |
| 31 | C | 96.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.007 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 117.9 | 173.2 | 177.2 | 0 | 0 | 0 | 0 | 108.8 | A33 D34 D35 A36 H47 H56 | C31-A33 VanDerWaalsContact C-N 3.33Å; C31-D34 HydrophobicContact CB-CB 4.25Å; C31-D34 PolarHBondContact SG-N 3.4Å; C31-D34 PolarHBondContact SG-OD2 3.02Å; C31-D35 VanDerWaalsContact O-CA 3.32Å; C31-D35 WeakPolarHBondContact O-CA 3.38Å; C31-D35 PolarHBondContact O-N 3.12Å; C31-A36 PolarHBondContact N-O 3.35Å; C31-A36 PolarHBondContact O-N 2.86Å; C31-H47 PolarHBondContact SG-NE2 3.15Å; C31-H56 VanDerWaalsContact SG-CB 3.54Å |
| 32 | A | 95.4 | Very high | 95 | Very high | 50 Ų | 50 | 61.6 Ų | 61.6 | 41% | 0.413 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -27.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y30 E57 | Y30-A32 HydrophobicContact CE1-CB 3.99Å; A32-E57 PolarHBondContact N-O 2.86Å; A32-E57 VanDerWaalsContact N-O 3.16Å |
| 33 | A | 94.8 | Very high | 95.1 | Very high | 65 Ų | 65 | 60 Ų | 60 | 54% | 0.537 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -36.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C31 H56 | C31-A33 VanDerWaalsContact C-N 3.33Å; A33-H56 HydrophobicContact CB-CB 3.91Å; A33-H56 VanDerWaalsContact CB-CG 3.45Å |
| 34 | D | 93.5 | Very high | 95.2 | Very high | 73 Ų | 73 | 57.2 Ų | 57.2 | 39% | 0.39 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -5.4 | 178.6 | -59.5 | -51.8 | 0 | 0 | 0 | 112.8 | C31 A36 H56 | C31-D34 HydrophobicContact CB-CB 4.25Å; C31-D34 PolarHBondContact SG-N 3.4Å; C31-D34 PolarHBondContact SG-OD2 3.02Å; D34-A36 HydrophobicContact CB-CB 4.11Å; D34-A36 PolarHBondContact O-N 3.43Å; D34-H56 IonicContact OD1-CE1 3.23Å; D34-H56 PolarHBondContact OD1-CE1 2.91Å; D34-H56 IonicContact OD1-ND1 3.22Å; D34-H56 IonicContact OD2-CE1 3.33Å; D34-H56 PolarHBondContact OD2-CE1 3.48Å; D34-H56 IonicContact OD2-ND1 3.62Å; D34-H56 PolarHBondContact OD2-ND1 3.27Å |
| 35 | D | 95.5 | Very high | 95.4 | Very high | 108 Ų | 108 | 53.6 Ų | 53.6 | 58% | 0.578 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.2 | 43.4 | -171 | -160.7 | 24.2 | 0 | 0 | 0 | 113.4 | Y30 C31 | Y30-D35 WeakPolarHBondContact CE2-OD1 3.43Å; Y30-D35 PolarHBondContact OH-OD1 2.98Å; C31-D35 VanDerWaalsContact O-CA 3.32Å; C31-D35 WeakPolarHBondContact O-CA 3.38Å; C31-D35 PolarHBondContact O-N 3.12Å |
| 36 | A | 95.2 | Very high | 95.5 | Very high | 16 Ų | 16 | 52 Ų | 52 | 13% | 0.132 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y30 C31 D34 L38 | Y30-A36 WeakPolarHBondContact CA-O 3.38Å; C31-A36 PolarHBondContact N-O 3.35Å; C31-A36 PolarHBondContact O-N 2.86Å; D34-A36 HydrophobicContact CB-CB 4.11Å; D34-A36 PolarHBondContact O-N 3.43Å; A36-L38 HydrophobicContact CB-CD2 4.24Å; A36-L38 HydrophobicContact CB-CG 4.35Å |
| 37 | F | 96.1 | Very high | 95.6 | Very high | 37 Ų | 37 | 49 Ų | 49 | 16% | 0.162 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 112.2 | 173.4 | -67.2 | -93.5 | 0 | 0 | 0 | 110 | R17 C19 E20 A27 W29 Y30 L61 | R17-F37 VanDerWaalsContact NH1-CZ 3.32Å; C19-F37 CarbonylContact C-O 3.49Å; C19-F37 WeakPolarHBondContact CA-O 3.41Å; E20-F37 PolarHBondContact N-O 2.94Å; A27-F37 HydrophobicContact CB-CB 3.72Å; W29-F37 CarbonylContact O-C 3.47Å; W29-F37 WeakPolarHBondContact O-CA 3.46Å; Y30-F37 HydrophobicContact CD2-CD1 4.2Å; Y30-F37 HydrophobicContact CD2-CD2 4.25Å; Y30-F37 AromaticContact CD2-CE1 3.83Å; Y30-F37 HydrophobicContact CD2-CE1 3.83Å; Y30-F37 AromaticContact CD2-CE2 3.85Å; Y30-F37 HydrophobicContact CD2-CE2 3.85Å; Y30-F37 HydrophobicContact CD2-CG 4.39Å; Y30-F37 AromaticContact CD2-CZ 3.63Å; Y30-F37 HydrophobicContact CD2-CZ 3.63Å; Y30-F37 HydrophobicContact CE2-CE2 4Å; Y30-F37 AromaticContact CE2-CZ 3.99Å; Y30-F37 HydrophobicContact CE2-CZ 3.99Å; Y30-F37 HydrophobicContact CG-CE1 4.38Å; Y30-F37 HydrophobicContact CG-CZ 4.5Å; F37-L61 HydrophobicContact CD1-CD1 3.65Å; F37-L61 HydrophobicContact CD1-CD2 4.28Å; F37-L61 HydrophobicContact CE1-CD1 4.26Å; F37-L61 HydrophobicContact CE1-CD2 4.06Å |
| 38 | L | 95.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 143.8 | -171.7 | -58 | 178.7 | 0 | 0 | 0 | 112.5 | R28 W29 A36 C42 D43 V46 | R28-L38 PolarHBondContact N-O 3.41Å; W29-L38 PolarHBondContact N-O 3.12Å; W29-L38 PolarHBondContact O-N 2.84Å; A36-L38 HydrophobicContact CB-CD2 4.24Å; A36-L38 HydrophobicContact CB-CG 4.35Å; L38-C42 HydrophobicContact CB-CB 4.33Å; L38-C42 HydrophobicContact CD2-CB 4.17Å; L38-D43 HydrophobicContact CB-CB 4.16Å; L38-D43 HydrophobicContact CD1-CB 4.49Å; L38-V46 HydrophobicContact CD1-CB 4.34Å; L38-V46 HydrophobicContact CD1-CG2 4.3Å |
| 39 | C | 96.2 | Very high | 95.5 | Very high | 10 Ų | 10 | 51.7 Ų | 51.7 | 7% | 0.068 | 31% | 0.312 | C | S | . | . | trans | -75 | 167.6 | 162.3 | 72.9 | 0 | 0 | 0 | 0 | 109.9 | C19 V25 G41 C42 D43 | C19-C39 HydrophobicContact CB-CB 3.8Å; C19-C39 PolarHBondContact SG-N 3.2Å; V25-C39 HydrophobicContact CB-CB 3.89Å; V25-C39 HydrophobicContact CG1-CB 3.79Å; C39-G41 VanDerWaalsContact C-N 3.32Å; C39-G41 PolarHBondContact O-N 2.84Å; C39-C42 PolarHBondContact O-N 2.85Å; C39-D43 VanDerWaalsContact O-CB 3.32Å; C39-D43 WeakPolarHBondContact O-CB 3.32Å; C39-D43 PolarHBondContact O-N 2.91Å | ||
| 40 | H | 95.4 | Very high | 95.3 | Very high | 102 Ų | 102 | 52.6 Ų | 52.6 | 47% | 0.472 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.6 | -39.8 | -177.3 | -174.3 | 49.3 | 0 | 0 | 0 | 113.8 | W29 D43 N44 | W29-H40 AromaticContact NE1-ND1 3.79Å; H40-D43 PolarHBondContact O-N 3.41Å; H40-N44 PolarHBondContact CE1-ND2 2.98Å; H40-N44 PolarHBondContact NE2-ND2 3.14Å; H40-N44 VanDerWaalsContact O-CG 3.26Å; H40-N44 PolarHBondContact O-N 3.44Å; H40-N44 VanDerWaalsContact O-N 3.08Å; H40-N44 PolarHBondContact O-ND2 3.18Å |
| 41 | G | 96.4 | Very high | 95.2 | Very high | 50 Ų | 50 | 56.7 Ų | 56.7 | 52% | 0.515 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.8 | -45.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | C39 N44 M45 | C39-G41 VanDerWaalsContact C-N 3.32Å; C39-G41 PolarHBondContact O-N 2.84Å; G41-N44 PolarHBondContact O-N 3.23Å; G41-M45 WeakPolarHBondContact O-CB 3.3Å; G41-M45 PolarHBondContact O-N 3.28Å |
| 42 | C | 96.6 | Very high | 95.1 | Very high | 10 Ų | 10 | 62.1 Ų | 62.1 | 7% | 0.068 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67 | -37.6 | 176.4 | -66 | 0 | 0 | 0 | 0 | 111.9 | S21 L38 C39 M45 V46 | S21-C42 VanDerWaalsContact CB-SG 3.6Å; S21-C42 PolarHBondContact OG-SG 2.88Å; S21-C42 VanDerWaalsContact OG-SG 3.42Å; L38-C42 HydrophobicContact CB-CB 4.33Å; L38-C42 HydrophobicContact CD2-CB 4.17Å; C39-C42 PolarHBondContact O-N 2.85Å; C42-M45 PolarHBondContact O-N 3.39Å; C42-V46 WeakPolarHBondContact O-CB 3.08Å; C42-V46 VanDerWaalsContact O-CG2 3.31Å; C42-V46 WeakPolarHBondContact O-CG2 3.43Å; C42-V46 PolarHBondContact O-N 3.21Å |
| 43 | D | 96.5 | Very high | 95 | Very high | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.016 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.4 | -49.5 | 175.3 | -176.6 | 72 | 0 | 0 | 0 | 111.2 | W29 L38 C39 H40 M45 V46 H47 R58 | W29-D43 HydrophobicContact CB-CB 4.41Å; W29-D43 HydrophobicContact CG-CB 4.27Å; L38-D43 HydrophobicContact CB-CB 4.16Å; L38-D43 HydrophobicContact CD1-CB 4.49Å; C39-D43 VanDerWaalsContact O-CB 3.32Å; C39-D43 WeakPolarHBondContact O-CB 3.32Å; C39-D43 PolarHBondContact O-N 2.91Å; H40-D43 PolarHBondContact O-N 3.41Å; D43-M45 PolarHBondContact O-N 3.41Å; D43-V46 PolarHBondContact O-N 2.83Å; D43-H47 WeakPolarHBondContact O-CB 3.45Å; D43-H47 PolarHBondContact O-N 3.3Å; D43-H47 PolarHBondContact O-ND1 3.25Å; D43-H47 IonicContact OD1-CE1 3.45Å; D43-H47 PolarHBondContact OD1-CE1 2.99Å; D43-H47 VanDerWaalsContact OD1-CE1 3.23Å; D43-H47 IonicContact OD1-ND1 2.91Å; D43-H47 PolarHBondContact OD1-ND1 3.03Å; D43-R58 WeakPolarHBondContact OD1-CD 3.23Å; D43-R58 IonicContact OD1-NH1 3.84Å; D43-R58 IonicContact OD2-CZ 3.84Å; D43-R58 IonicContact OD2-NH1 2.78Å; D43-R58 PolarHBondContact OD2-NH1 2.96Å |
| 44 | N | 95.5 | Very high | 95 | Very high | 72 Ų | 72 | 60 Ų | 60 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 177.5 | -67.3 | -16.4 | 0 | 0 | 0 | 111.1 | H40 G41 V46 H47 S48 | H40-N44 PolarHBondContact CE1-ND2 2.98Å; H40-N44 PolarHBondContact NE2-ND2 3.14Å; H40-N44 VanDerWaalsContact O-CG 3.26Å; H40-N44 PolarHBondContact O-N 3.44Å; H40-N44 VanDerWaalsContact O-N 3.08Å; H40-N44 PolarHBondContact O-ND2 3.18Å; G41-N44 PolarHBondContact O-N 3.23Å; N44-V46 PolarHBondContact O-N 3.23Å; N44-H47 PolarHBondContact O-N 2.98Å; N44-S48 WeakPolarHBondContact O-CB 3.43Å; N44-S48 PolarHBondContact O-N 2.99Å; N44-S48 PolarHBondContact O-OG 2.86Å |
| 45 | M | 95.8 | Very high | 95.1 | Very high | 118 Ų | 118 | 65.7 Ų | 65.7 | 58% | 0.581 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.5 | -40.3 | -178.1 | -173.9 | 173.5 | 62.2 | 0 | 0 | 113.1 | G41 C42 D43 A49 | G41-M45 WeakPolarHBondContact O-CB 3.3Å; G41-M45 PolarHBondContact O-N 3.28Å; C42-M45 PolarHBondContact O-N 3.39Å; D43-M45 PolarHBondContact O-N 3.41Å; M45-A49 WeakPolarHBondContact O-CB 3.41Å; M45-A49 PolarHBondContact O-N 3.4Å |
| 46 | V | 95.2 | Very high | 95.1 | Very high | 47 Ų | 47 | 62.8 Ų | 62.8 | 29% | 0.285 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72.1 | -46.8 | 178.4 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | L38 C42 D43 N44 A53 | L38-V46 HydrophobicContact CD1-CB 4.34Å; L38-V46 HydrophobicContact CD1-CG2 4.3Å; C42-V46 WeakPolarHBondContact O-CB 3.08Å; C42-V46 VanDerWaalsContact O-CG2 3.31Å; C42-V46 WeakPolarHBondContact O-CG2 3.43Å; C42-V46 PolarHBondContact O-N 3.21Å; D43-V46 PolarHBondContact O-N 2.83Å; N44-V46 PolarHBondContact O-N 3.23Å; V46-A53 VanDerWaalsContact O-CB 3.3Å; V46-A53 WeakPolarHBondContact O-CB 3.3Å |
| 47 | H | 96.2 | Very high | 95.1 | Very high | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.037 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -83.7 | -13.7 | -173.6 | -62.5 | 79.7 | 0 | 0 | 0 | 113.4 | C31 D43 N44 A53 S54 R58 | C31-H47 PolarHBondContact SG-NE2 3.15Å; D43-H47 WeakPolarHBondContact O-CB 3.45Å; D43-H47 PolarHBondContact O-N 3.3Å; D43-H47 PolarHBondContact O-ND1 3.25Å; D43-H47 IonicContact OD1-CE1 3.45Å; D43-H47 PolarHBondContact OD1-CE1 2.99Å; D43-H47 VanDerWaalsContact OD1-CE1 3.23Å; D43-H47 IonicContact OD1-ND1 2.91Å; D43-H47 PolarHBondContact OD1-ND1 3.03Å; N44-H47 PolarHBondContact O-N 2.98Å; H47-A53 PolarHBondContact CD2-O 3.34Å; H47-S54 WeakPolarHBondContact O-CA 3.37Å; H47-S54 WeakPolarHBondContact O-CB 3.41Å; H47-S54 PolarHBondContact O-N 3.4Å; H47-R58 VanDerWaalsContact CD2-CD 3.49Å; H47-R58 WeakPolarHBondContact CD2-CD 3.47Å; H47-R58 WeakPolarHBondContact NE2-CD 3.11Å; H47-R58 WeakPolarHBondContact NE2-CG 3.41Å |
| 48 | S | 95.3 | Very high | 95 | Very high | 98 Ų | 98 | 69.7 Ų | 69.7 | 69% | 0.685 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -89.8 | -18.7 | 171.6 | 74.5 | 0 | 0 | 0 | 0 | 113.5 | N44 N50 | N44-S48 WeakPolarHBondContact O-CB 3.43Å; N44-S48 PolarHBondContact O-N 2.99Å; N44-S48 PolarHBondContact O-OG 2.86Å; S48-N50 VanDerWaalsContact C-N 3.31Å; S48-N50 PolarHBondContact O-N 3.12Å |
| 49 | A | 93.3 | Very high | 95 | Very high | 84 Ų | 84 | 72.7 Ų | 72.7 | 69% | 0.694 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -68.5 | -27.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | M45 | M45-A49 WeakPolarHBondContact O-CB 3.41Å; M45-A49 PolarHBondContact O-N 3.4Å |
| 50 | N | 90.6 | Very high | 94.9 | Very high | 84 Ų | 84 | 78.8 Ų | 78.8 | 45% | 0.449 | 42% | 0.419 | S | S | . | . | trans | -148.3 | 145.9 | -177.9 | -171 | -10.4 | 0 | 0 | 0 | 111.4 | S48 L52 A53 S54 | S48-N50 VanDerWaalsContact C-N 3.31Å; S48-N50 PolarHBondContact O-N 3.12Å; N50-L52 PolarHBondContact O-N 3.29Å; N50-L52 PolarHBondContact OD1-N 2.93Å; N50-L52 VanDerWaalsContact OD1-N 3.1Å; N50-A53 HydrophobicContact CB-CB 4.28Å; N50-A53 PolarHBondContact O-N 3.18Å; N50-S54 PolarHBondContact O-N 3.43Å | ||
| 51 | Q | 93.6 | Very high | 94.8 | Very high | 147 Ų | 147 | 76 Ų | 76 | 69% | 0.687 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24 | 171.1 | -64.3 | -170.7 | 4.4 | 0 | 0 | 113.7 | S54 R55 | Q51-S54 PolarHBondContact O-OG 2.98Å; Q51-R55 WeakPolarHBondContact O-CG 3.16Å |
| 52 | L | 94.1 | Very high | 94.2 | Very high | 114 Ų | 114 | 80.9 Ų | 80.9 | 60% | 0.597 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -47.3 | 172.9 | -65.7 | 178.4 | 0 | 0 | 0 | 111.1 | N50 S54 R55 H56 | N50-L52 PolarHBondContact O-N 3.29Å; N50-L52 PolarHBondContact OD1-N 2.93Å; N50-L52 VanDerWaalsContact OD1-N 3.1Å; L52-S54 VanDerWaalsContact C-N 3.32Å; L52-S54 PolarHBondContact O-N 2.9Å; L52-R55 PolarHBondContact O-N 3.36Å; L52-H56 PolarHBondContact O-CD2 3.14Å; L52-H56 VanDerWaalsContact O-CD2 3.3Å |
| 53 | A | 93.5 | Very high | 93.4 | Very high | 13 Ų | 13 | 82.3 Ų | 82.3 | 11% | 0.107 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -65.3 | -36.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V46 H47 N50 R55 H56 | V46-A53 VanDerWaalsContact O-CB 3.3Å; V46-A53 WeakPolarHBondContact O-CB 3.3Å; H47-A53 PolarHBondContact CD2-O 3.34Å; N50-A53 HydrophobicContact CB-CB 4.28Å; N50-A53 PolarHBondContact O-N 3.18Å; A53-R55 PolarHBondContact O-N 2.86Å; A53-H56 WeakPolarHBondContact O-CB 3.36Å; A53-H56 VanDerWaalsContact O-CG 3.27Å; A53-H56 PolarHBondContact O-N 3.01Å |
| 54 | S | 94.8 | Very high | 92.2 | Very high | 59 Ų | 59 | 87 Ų | 87 | 41% | 0.413 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -60.9 | -20.7 | 178.4 | 72.1 | 0 | 0 | 0 | 0 | 114.2 | H47 N50 Q51 L52 | H47-S54 WeakPolarHBondContact O-CA 3.37Å; H47-S54 WeakPolarHBondContact O-CB 3.41Å; H47-S54 PolarHBondContact O-N 3.4Å; N50-S54 PolarHBondContact O-N 3.43Å; Q51-S54 PolarHBondContact O-OG 2.98Å; L52-S54 VanDerWaalsContact C-N 3.32Å; L52-S54 PolarHBondContact O-N 2.9Å |
| 55 | R | 95.1 | Very high | 91 | Very high | 191 Ų | 191 | 89 Ų | 89 | 72% | 0.721 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -89.2 | -4.3 | 178.1 | -64.2 | 175.6 | -176.4 | -167.8 | 1 | 113.7 | Q51 L52 A53 | Q51-R55 WeakPolarHBondContact O-CG 3.16Å; L52-R55 PolarHBondContact O-N 3.36Å; A53-R55 PolarHBondContact O-N 2.86Å |
| 56 | H | 96.1 | Very high | 89.2 | Confident | 47 Ų | 47 | 85.9 Ų | 85.9 | 22% | 0.218 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -63.1 | 139 | 179.3 | -65.6 | -178.3 | 0 | 0 | 0 | 111 | C31 A33 D34 L52 A53 R58 | C31-H56 VanDerWaalsContact SG-CB 3.54Å; A33-H56 HydrophobicContact CB-CB 3.91Å; A33-H56 VanDerWaalsContact CB-CG 3.45Å; D34-H56 IonicContact OD1-CE1 3.23Å; D34-H56 PolarHBondContact OD1-CE1 2.91Å; D34-H56 IonicContact OD1-ND1 3.22Å; D34-H56 IonicContact OD2-CE1 3.33Å; D34-H56 PolarHBondContact OD2-CE1 3.48Å; D34-H56 IonicContact OD2-ND1 3.62Å; D34-H56 PolarHBondContact OD2-ND1 3.27Å; L52-H56 PolarHBondContact O-CD2 3.14Å; L52-H56 VanDerWaalsContact O-CD2 3.3Å; A53-H56 WeakPolarHBondContact O-CB 3.36Å; A53-H56 VanDerWaalsContact O-CG 3.27Å; A53-H56 PolarHBondContact O-N 3.01Å; H56-R58 PolarHBondContact O-N 3.11Å |
| 57 | E | 94.6 | Very high | 87.5 | Confident | 104 Ų | 104 | 92.8 Ų | 92.8 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | trans | -70.2 | 123.2 | 173.8 | -174 | 178 | 178.3 | 0 | 0 | 109.8 | A32 | A32-E57 PolarHBondContact N-O 2.86Å; A32-E57 VanDerWaalsContact N-O 3.16Å | ||
| 58 | R | 94.7 | Very high | 85.6 | Confident | 95 Ų | 95 | 96.8 Ų | 96.8 | 36% | 0.358 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 125.1 | -177.6 | -70.3 | 178.5 | -77.1 | 179.9 | -2.6 | 110.9 | W29 Y30 D43 H47 H56 | W29-R58 HydrophobicContact CE3-CB 4.15Å; Y30-R58 CarbonylContact O-C 3.6Å; Y30-R58 WeakPolarHBondContact O-CA 3.47Å; D43-R58 WeakPolarHBondContact OD1-CD 3.23Å; D43-R58 IonicContact OD1-NH1 3.84Å; D43-R58 IonicContact OD2-CZ 3.84Å; D43-R58 IonicContact OD2-NH1 2.78Å; D43-R58 PolarHBondContact OD2-NH1 2.96Å; H47-R58 VanDerWaalsContact CD2-CD 3.49Å; H47-R58 WeakPolarHBondContact CD2-CD 3.47Å; H47-R58 WeakPolarHBondContact NE2-CD 3.11Å; H47-R58 WeakPolarHBondContact NE2-CG 3.41Å; H56-R58 PolarHBondContact O-N 3.11Å |
| 59 | V | 95 | Very high | 83.6 | Confident | 71 Ų | 71 | 99.3 Ų | 99.3 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 128.5 | 177.9 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | W29 Y30 L61 | W29-V59 WeakPolarHBondContact CA-O 3.41Å; Y30-V59 PolarHBondContact N-O 2.79Å; Y30-V59 PolarHBondContact O-N 3.23Å; V59-L61 PolarHBondContact O-N 3.49Å |
| 60 | K | 95.3 | Very high | 81.7 | Confident | 137 Ų | 137 | 104.3 Ų | 104.3 | 60% | 0.596 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 125.3 | 176.2 | -171.2 | 175.6 | -178.6 | 177.5 | 0 | 110.2 | W29 | W29-K60 HydrophobicContact CE3-CB 4.1Å; W29-K60 HydrophobicContact CH2-CB 4.31Å; W29-K60 HydrophobicContact CZ3-CB 3.85Å; W29-K60 HydrophobicContact CZ3-CG 4.46Å |
| 61 | L | 91.9 | Very high | 79.8 | Confident | 44 Ų | 44 | 105.6 Ų | 105.6 | 23% | 0.23 | 55% | 0.548 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 131.3 | 178.2 | -60.1 | 170.9 | 0 | 0 | 0 | 110.3 | A27 R28 F37 V59 T63 | A27-L61 HydrophobicContact CB-CD1 3.82Å; R28-L61 PolarHBondContact O-N 3.18Å; F37-L61 HydrophobicContact CD1-CD1 3.65Å; F37-L61 HydrophobicContact CD1-CD2 4.28Å; F37-L61 HydrophobicContact CE1-CD1 4.26Å; F37-L61 HydrophobicContact CE1-CD2 4.06Å; V59-L61 PolarHBondContact O-N 3.49Å; L61-T63 PolarHBondContact O-N 2.78Å |
| 62 | Q | 84.2 | Confident | 78 | Confident | 152 Ų | 152 | 104.8 Ų | 104.8 | 71% | 0.71 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 133.3 | 175.5 | -65.3 | -62 | -19.9 | 0 | 0 | 110 | ||
| 63 | T | 81.2 | Confident | 76 | Confident | 41 Ų | 41 | 104.8 Ų | 104.8 | 25% | 0.252 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -86.5 | 143.2 | 171.4 | -56 | 0 | 0 | 0 | 0 | 107.6 | R26 L61 S65 S66 | R26-T63 PolarHBondContact NH1-OG1 2.8Å; R26-T63 VanDerWaalsContact NH1-OG1 3.08Å; R26-T63 PolarHBondContact NH2-OG1 3.24Å; L61-T63 PolarHBondContact O-N 2.78Å; T63-S65 PolarHBondContact O-N 2.81Å; T63-S66 WeakPolarHBondContact O-CB 3.3Å; T63-S66 PolarHBondContact O-N 2.82Å; T63-S66 PolarHBondContact O-OG 3.38Å |
| 64 | A | 70.9 | Confident | 74 | Confident | 102 Ų | 102 | 109.3 Ų | 109.3 | 84% | 0.843 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -13.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 65 | S | 69.2 | Low | 72.2 | Confident | 112 Ų | 112 | 116.1 Ų | 116.1 | 78% | 0.783 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -11.2 | 176.2 | -168.1 | 0 | 0 | 0 | 0 | 114.1 | T63 K67 | T63-S65 PolarHBondContact O-N 2.81Å; S65-K67 PolarHBondContact O-N 3.35Å; S65-K67 VanDerWaalsContact O-N 3.15Å |
| 66 | S | 59.3 | Low | 70.4 | Confident | 54 Ų | 54 | 111.5 Ų | 111.5 | 38% | 0.378 | 60% | 0.602 | S | S | . | * | trans | -90.2 | 58.4 | -174.8 | -46.3 | 0 | 0 | 0 | 0 | 112.7 | T63 V68 | T63-S66 WeakPolarHBondContact O-CB 3.3Å; T63-S66 PolarHBondContact O-N 2.82Å; T63-S66 PolarHBondContact O-OG 3.38Å; S66-V68 PolarHBondContact O-N 2.87Å | ||
| 67 | K | 58.2 | Low | 68.9 | Low | 192 Ų | 192 | 112.9 Ų | 112.9 | 84% | 0.835 | 62% | 0.621 | S | S | * | * | trans | -78.9 | 76.1 | 165.1 | -75.4 | 179.3 | 179.2 | 176.3 | 0 | 109.1 | S65 | S65-K67 PolarHBondContact O-N 3.35Å; S65-K67 VanDerWaalsContact O-N 3.15Å | ||
| 68 | V | 57.2 | Low | 67.5 | Low | 91 Ų | 91 | 116 Ų | 116 | 55% | 0.552 | 63% | 0.629 | S | S | * | * | trans | -97 | 114.3 | 161 | -173.1 | 0 | 0 | 0 | 0 | 107 | S66 Y70 | S66-V68 PolarHBondContact O-N 2.87Å; V68-Y70 VanDerWaalsContact C-N 3.27Å; V68-Y70 HydrophobicContact CB-CD2 4.07Å; V68-Y70 HydrophobicContact CB-CE2 3.66Å; V68-Y70 HydrophobicContact CG1-CD2 3.79Å; V68-Y70 HydrophobicContact CG1-CE1 4.23Å; V68-Y70 HydrophobicContact CG1-CE2 3.21Å; V68-Y70 VanDerWaalsContact CG1-CZ 3.47Å; V68-Y70 PolarHBondContact O-N 3.39Å | ||
| 69 | N | 53 | Low | 65.8 | Low | 152 Ų | 152 | 118.1 Ų | 118.1 | 81% | 0.813 | 64% | 0.642 | S | S | * | * | trans | -66.7 | 82.8 | 178.3 | -69 | -22.7 | 0 | 0 | 0 | 110.1 | S71 | N69-S71 PolarHBondContact O-N 3.1Š| ||
| 70 | Y | 52.7 | Low | 64.2 | Low | 189 Ų | 189 | 119 Ų | 119 | 74% | 0.741 | 65% | 0.652 | S | S | * | * | trans | -93.1 | 81.2 | 158 | -59.5 | -73.7 | 0 | 0 | 0 | 107.4 | V68 V72 | V68-Y70 VanDerWaalsContact C-N 3.27Å; V68-Y70 HydrophobicContact CB-CD2 4.07Å; V68-Y70 HydrophobicContact CB-CE2 3.66Å; V68-Y70 HydrophobicContact CG1-CD2 3.79Å; V68-Y70 HydrophobicContact CG1-CE1 4.23Å; V68-Y70 HydrophobicContact CG1-CE2 3.21Å; V68-Y70 VanDerWaalsContact CG1-CZ 3.47Å; V68-Y70 PolarHBondContact O-N 3.39Å; Y70-V72 PolarHBondContact O-N 3.12Å | ||
| 71 | S | 52 | Low | 62.4 | Low | 110 Ų | 110 | 114.8 Ų | 114.8 | 77% | 0.769 | 65% | 0.647 | S | S | * | * | trans | -72 | 70.1 | 167.2 | 60 | 0 | 0 | 0 | 0 | 109.4 | N69 | N69-S71 PolarHBondContact O-N 3.1Š| ||
| 72 | V | 55.3 | Low | 60.8 | Low | 131 Ų | 131 | 121.4 Ų | 121.4 | 79% | 0.794 | 68% | 0.675 | S | S | * | * | trans | -130.2 | 59.9 | 165 | -168.5 | 0 | 0 | 0 | 0 | 107 | Y70 | Y70-V72 PolarHBondContact O-N 3.12Š| ||
| 73 | T | 52.2 | Low | 59.7 | Low | 114 Ų | 114 | 120.1 Ų | 120.1 | 70% | 0.699 | 68% | 0.677 | S | S | * | * | trans | -85.7 | 125.6 | 158.2 | 54.1 | 0 | 0 | 0 | 0 | 106.8 | K75 | T73-K75 PolarHBondContact O-N 2.94Å; T73-K75 VanDerWaalsContact O-N 3.14Å | ||
| 74 | P | 51.7 | Low | 58.6 | Low | 107 Ų | 107 | 128.6 Ų | 128.6 | 70% | 0.695 | 70% | 0.704 | S | S | * | * | trans | -62 | 123.2 | 163.4 | 29 | -29 | 0 | 0 | 0 | 105.3 | V76 | P74-V76 VanDerWaalsContact C-N 3.26Å; P74-V76 WeakPolarHBondContact O-CG2 3.34Å; P74-V76 PolarHBondContact O-N 3.41Å | ||
| 75 | K | 55.5 | Low | 58.2 | Low | 202 Ų | 202 | 133 Ų | 133 | 88% | 0.878 | 71% | 0.705 | S | S | * | * | trans | -58.7 | 96.9 | 170.2 | -81.8 | 176 | 178 | 167.5 | 0 | 106.8 | T73 A77 | T73-K75 PolarHBondContact O-N 2.94Å; T73-K75 VanDerWaalsContact O-N 3.14Å; K75-A77 PolarHBondContact O-N 3.09Å | ||
| 76 | V | 58.4 | Low | 57.4 | Low | 95 Ų | 95 | 132.6 Ų | 132.6 | 58% | 0.576 | 71% | 0.708 | S | S | * | * | trans | -68.9 | 106 | 176.1 | -142.6 | 0 | 0 | 0 | 0 | 106 | P74 W78 | P74-V76 VanDerWaalsContact C-N 3.26Å; P74-V76 WeakPolarHBondContact O-CG2 3.34Å; P74-V76 PolarHBondContact O-N 3.41Å; V76-W78 PolarHBondContact O-N 3.42Å; V76-W78 VanDerWaalsContact O-N 3.13Å | ||
| 77 | A | 65.3 | Low | 57.4 | Low | 76 Ų | 76 | 141.2 Ų | 141.2 | 63% | 0.628 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -63.8 | -22.3 | -162.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | K75 H79 S80 | K75-A77 PolarHBondContact O-N 3.09Å; A77-H79 PolarHBondContact O-N 2.86Å; A77-S80 PolarHBondContact O-N 2.74Å; A77-S80 PolarHBondContact O-OG 3.47Å |
| 78 | W | 65.3 | Low | 57.6 | Low | 170 Ų | 170 | 138.1 Ų | 138.1 | 64% | 0.644 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -66.9 | -29.1 | -174.4 | 62.9 | -58.1 | 0 | 0 | 0 | 115.4 | V76 S80 G81 | V76-W78 PolarHBondContact O-N 3.42Å; V76-W78 VanDerWaalsContact O-N 3.13Å; W78-S80 VanDerWaalsContact C-N 3.26Å; W78-S80 PolarHBondContact O-N 3.49Å; W78-G81 PolarHBondContact O-N 3.41Å |
| 79 | H | 58.3 | Low | 57.3 | Low | 138 Ų | 138 | 139.9 Ų | 139.9 | 64% | 0.639 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -73.7 | -13 | 177.8 | -88 | -82.6 | 0 | 0 | 0 | 114.2 | A77 G81 | A77-H79 PolarHBondContact O-N 2.86Å; H79-G81 VanDerWaalsContact C-N 3.34Å |
| 80 | S | 61.6 | Low | 57.4 | Low | 90 Ų | 90 | 144.4 Ų | 144.4 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -85 | -6.9 | 174.2 | 73 | 0 | 0 | 0 | 0 | 113.9 | A77 W78 | A77-S80 PolarHBondContact O-N 2.74Å; A77-S80 PolarHBondContact O-OG 3.47Å; W78-S80 VanDerWaalsContact C-N 3.26Å; W78-S80 PolarHBondContact O-N 3.49Å |
| 81 | G | 58 | Low | 57.4 | Low | 49 Ų | 49 | 142.7 Ų | 142.7 | 51% | 0.505 | 75% | 0.747 | S | S | . | * | G | 310 helix | trans | -78.6 | -17.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | W78 H79 T83 | W78-G81 PolarHBondContact O-N 3.41Å; H79-G81 VanDerWaalsContact C-N 3.34Å; G81-T83 PolarHBondContact O-N 3.21Å |
| 82 | F | 57.9 | Low | 57.5 | Low | 183 Ų | 183 | 144.4 Ų | 144.4 | 80% | 0.803 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -90.6 | 5.6 | -169.1 | -78.7 | -82.1 | 0 | 0 | 0 | 115.9 | ||
| 83 | T | 60.8 | Low | 57.3 | Low | 124 Ų | 124 | 143 Ų | 143 | 76% | 0.761 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -99.8 | 6.4 | -179.7 | 58.5 | 0 | 0 | 0 | 0 | 114.7 | G81 K85 | G81-T83 PolarHBondContact O-N 3.21Å; T83-K85 PolarHBondContact O-N 2.85Å |
| 84 | R | 57.9 | Low | 57.1 | Low | 219 Ų | 219 | 145 Ų | 145 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | trans | -91.1 | 101.9 | 176.4 | -63.6 | -175.3 | -170.5 | -121.8 | 1.2 | 110.5 | ||||
| 85 | K | 61.7 | Low | 56.9 | Low | 195 Ų | 195 | 149.8 Ų | 149.8 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | trans | -49.5 | 136.4 | 167 | -72.4 | 153.1 | 178 | 174.7 | 0 | 110.2 | T83 R87 | T83-K85 PolarHBondContact O-N 2.85Å; K85-R87 PolarHBondContact O-N 3.37Å; K85-R87 VanDerWaalsContact O-N 3.09Å | ||
| 86 | A | 52.4 | Low | 56.7 | Low | 103 Ų | 103 | 148.1 Ų | 148.1 | 85% | 0.851 | 74% | 0.741 | S | S | * | * | trans | -51.4 | 114 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | T88 | A86-T88 PolarHBondContact O-N 2.84Š| ||
| 87 | R | 60.1 | Low | 55.8 | Low | 236 Ų | 236 | 148.7 Ų | 148.7 | 89% | 0.891 | 75% | 0.749 | S | S | * | * | trans | -84.1 | 106.2 | 174.2 | -81.8 | -176.3 | 175.3 | 172.9 | -2.4 | 108.9 | K85 | K85-R87 PolarHBondContact O-N 3.37Å; K85-R87 VanDerWaalsContact O-N 3.09Å | ||
| 88 | T | 62.9 | Low | 54.6 | Low | 127 Ų | 127 | 150 Ų | 150 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | trans | -63.4 | 128.4 | 161.4 | 48.4 | 0 | 0 | 0 | 0 | 110 | A86 | A86-T88 PolarHBondContact O-N 2.84Š| ||
| 89 | P | 51.3 | Low | 53.8 | Low | 128 Ų | 128 | 149 Ų | 149 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | trans | -73 | 128.9 | 178.2 | -16.6 | 30.6 | 0 | 0 | 0 | 112.3 | ||||
| 90 | R | 53.3 | Low | 53.3 | Low | 247 Ų | 247 | 150.7 Ų | 150.7 | 93% | 0.932 | 77% | 0.766 | S | S | * | * | trans | -132.8 | 120.3 | 158.7 | -91.9 | -171.4 | 170.5 | 169.1 | -1.8 | 110.4 | ||||
| 91 | H | 53.6 | Low | 52.7 | Low | 152 Ų | 152 | 154.9 Ų | 154.9 | 70% | 0.704 | 78% | 0.776 | S | S | * | * | trans | -70.5 | 133.2 | 172.7 | 163.7 | -71.7 | 0 | 0 | 0 | 111.2 | N93 | H91-N93 PolarHBondContact CE1-ND2 2.84Å; H91-N93 VanDerWaalsContact CE1-ND2 3.34Å; H91-N93 PolarHBondContact NE2-ND2 3.44Å; H91-N93 VanDerWaalsContact NE2-ND2 3.15Å | ||
| 92 | N | 53.8 | Low | 52.4 | Low | 146 Ų | 146 | 161.8 Ų | 161.8 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -164.6 | 142.2 | 141.8 | -160.5 | 6.1 | 0 | 0 | 0 | 112.2 | ||||
| 93 | N | 50.7 | Low | 52.2 | Low | 101 Ų | 101 | 161.1 Ų | 161.1 | 54% | 0.54 | 79% | 0.794 | S | S | . | * | trans | -103 | 143 | -167.4 | -52.4 | -32.2 | 0 | 0 | 0 | 110.8 | H91 | H91-N93 PolarHBondContact CE1-ND2 2.84Å; H91-N93 VanDerWaalsContact CE1-ND2 3.34Å; H91-N93 PolarHBondContact NE2-ND2 3.44Å; H91-N93 VanDerWaalsContact NE2-ND2 3.15Å | ||
| 94 | N | 48.4 | Very low | 51.7 | Low | 157 Ų | 157 | 164.6 Ų | 164.6 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | 174.5 | 102.9 | 144.9 | -96.5 | -15.1 | 0 | 0 | 0 | 107.2 | ||||
| 95 | R | 47.4 | Very low | 51.1 | Low | 207 Ų | 207 | 162.8 Ų | 162.8 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | 60.5 | 125.4 | 72.6 | -78.7 | -155.9 | 179.3 | -149.3 | 2 | 115.6 | |||||
| 96 | H | 51.3 | Low | 49.9 | Very low | 167 Ų | 167 | 163.2 Ų | 163.2 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | 77.3 | 133.7 | 167.8 | -52.8 | -73.1 | 0 | 0 | 0 | 114.8 | ||||
| 97 | S | 39.1 | Very low | 49.2 | Very low | 107 Ų | 107 | 163.4 Ų | 163.4 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | cis | -155.7 | 135.3 | 31.6 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 98 | S | 41.1 | Very low | 47.9 | Very low | 104 Ų | 104 | 159.6 Ų | 159.6 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -55.2 | 145.4 | 162.5 | 37.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 99 | L | 47.2 | Very low | 46.6 | Very low | 150 Ų | 150 | 162.1 Ų | 162.1 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -157.1 | 107.6 | 148.3 | -110.2 | 147.5 | 0 | 0 | 0 | 111.9 | ||||
| 100 | K | 48.3 | Very low | 46 | Very low | 173 Ų | 173 | 163.1 Ų | 163.1 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | 44.6 | 109.3 | 142.7 | -64.7 | 179.9 | -177.5 | 178.4 | 0 | 118 | ||||
| 101 | Q | 50.3 | Low | 45.5 | Very low | 177 Ų | 177 | 157.8 Ų | 157.8 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | 56.1 | 113.6 | 84.7 | -74.1 | -179 | 4 | 0 | 0 | 113.2 | |||||
| 102 | Q | 50.9 | Low | 44.7 | Very low | 195 Ų | 195 | 160.5 Ų | 160.5 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | -165.1 | 123.3 | 111.9 | -103.5 | 166.7 | 21 | 0 | 0 | 111.2 | |||||
| 103 | Q | 53.3 | Low | 43.8 | Very low | 168 Ų | 168 | 157 Ų | 157 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -87.3 | 146.1 | 171.7 | -62.8 | 166.7 | 6.7 | 0 | 0 | 108.6 | ||||
| 104 | Q | 49.9 | Very low | 43 | Very low | 198 Ų | 198 | 159.3 Ų | 159.3 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | -133 | 120.9 | 148.9 | -72.8 | -167.2 | 0.7 | 0 | 0 | 110.2 | ||||
| 105 | K | 45.2 | Very low | 42.3 | Very low | 180 Ų | 180 | 160.7 Ų | 160.7 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -75.7 | 152.3 | 173.3 | -68.8 | 168 | 168.8 | 176.9 | 0 | 110.6 | ||||
| 106 | K | 38.1 | Very low | 41.5 | Very low | 205 Ų | 205 | 158.8 Ų | 158.8 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | -170.4 | 150.2 | 118.8 | -105 | 171.8 | -178.9 | -175.8 | 0 | 113.2 | |||||
| 107 | P | 36.7 | Very low | 40.7 | Very low | 106 Ų | 106 | 156.4 Ų | 156.4 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | trans | -121.7 | 171.9 | -159.5 | 40 | -23.6 | 0 | 0 | 0 | 116 | ||||
| 108 | L | 32.1 | Very low | 40.4 | Very low | 156 Ų | 156 | 158.7 Ų | 158.7 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | trans | 57.6 | 121.8 | 146.5 | -77.2 | 163.1 | 0 | 0 | 0 | 121.8 | ||||
| 109 | H | 37.5 | Very low | 40.2 | Very low | 180 Ų | 180 | 162.8 Ų | 162.8 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | trans | -141.8 | 132.8 | 141.5 | -172.2 | -84.5 | 0 | 0 | 0 | 109.3 | ||||
| 110 | E | 38.6 | Very low | 39.6 | Very low | 149 Ų | 149 | 161.3 Ų | 161.3 | 70% | 0.696 | 78% | 0.775 | S | S | * | * | trans | -87.7 | -174.2 | -175.9 | -74.9 | 173.7 | 131.1 | 0 | 0 | 113.3 | ||||
| 111 | E | 41 | Very low | 38.8 | Very low | 135 Ų | 135 | 161 Ų | 161 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | trans | 92.7 | 97.2 | 170 | -51.6 | -55.3 | 142.7 | 0 | 0 | 114.7 | ||||
| 112 | R | 37.5 | Very low | 38.2 | Very low | 210 Ų | 210 | 158 Ų | 158 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | 84 | 123 | 73.2 | -176.9 | -175.9 | -67.7 | -91.6 | 0.4 | 111.2 | |||||
| 113 | G | 35.1 | Very low | 37.5 | Very low | 71 Ų | 71 | 155.8 Ų | 155.8 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | trans | 158.9 | 75.7 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 114 | E | 33.1 | Very low | 36.7 | Very low | 151 Ų | 151 | 153.8 Ų | 153.8 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -46.4 | 139.3 | 164.3 | 50.3 | -127.3 | 115.9 | 0 | 0 | 113.2 | ||||
| 115 | E | 34.1 | Very low | 36.1 | Very low | 186 Ų | 186 | 151.7 Ų | 151.7 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | 178.9 | 140.6 | 123.6 | -95.4 | 173 | -174.2 | 0 | 0 | 112.2 | |||||
| 116 | E | 31.3 | Very low | 36 | Very low | 167 Ų | 167 | 150.7 Ų | 150.7 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | -74.6 | 137.2 | -164.3 | -58.2 | 177.3 | 142.7 | 0 | 0 | 112.6 | ||||
| 117 | V | 34.5 | Very low | 36 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | trans | -113.7 | 86.1 | 168.6 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | F119 | V117-F119 HydrophobicContact CG1-CD2 3.26Å; V117-F119 HydrophobicContact CG1-CE2 3.46Å; V117-F119 VanDerWaalsContact CG1-CE2 3.46Å; V117-F119 HydrophobicContact CG1-CG 4.44Å | ||
| 118 | F | 33.1 | Very low | 36.3 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | trans | -71.3 | 117.4 | 154.5 | -92.8 | -96.1 | 0 | 0 | 0 | 108.1 | ||||
| 119 | F | 35.9 | Very low | 36.7 | Very low | 190 Ų | 190 | 147.1 Ų | 147.1 | 83% | 0.833 | 77% | 0.765 | S | S | * | * | trans | -118.2 | 106.5 | 159.5 | -90.3 | -70.8 | 0 | 0 | 0 | 110.3 | V117 | V117-F119 HydrophobicContact CG1-CD2 3.26Å; V117-F119 HydrophobicContact CG1-CE2 3.46Å; V117-F119 VanDerWaalsContact CG1-CE2 3.46Å; V117-F119 HydrophobicContact CG1-CG 4.44Å | ||
| 120 | N | 35.3 | Very low | 36.9 | Very low | 119 Ų | 119 | 144.8 Ų | 144.8 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | -89.5 | 128 | -177.8 | -35 | -21.5 | 0 | 0 | 0 | 106.2 | T122 | N120-T122 PolarHBondContact O-N 2.8Å; N120-T122 VanDerWaalsContact O-N 3.13Å | ||
| 121 | N | 30.6 | Very low | 37 | Very low | 168 Ų | 168 | 145.8 Ų | 145.8 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | trans | -64.4 | 105.7 | 168.9 | -77.7 | -31.4 | 0 | 0 | 0 | 110.4 | ||||
| 122 | T | 37.8 | Very low | 37.2 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | -152.8 | 111.5 | 156 | -58.1 | 0 | 0 | 0 | 0 | 109.9 | N120 | N120-T122 PolarHBondContact O-N 2.8Å; N120-T122 VanDerWaalsContact O-N 3.13Å | ||
| 123 | I | 36.2 | Very low | 37.1 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | 31.2 | 113.8 | 138.1 | -54.3 | 168.3 | 0 | 0 | 0 | 116 | ||||
| 124 | S | 37.3 | Very low | 37.3 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 88% | 0.881 | 78% | 0.779 | S | S | * | * | trans | -153.1 | 131.6 | 146.8 | -87.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 125 | L | 36.4 | Very low | 37.7 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -64.4 | 143.7 | 178.3 | -66.5 | 143.7 | 0 | 0 | 0 | 111.8 | ||||
| 126 | L | 44.5 | Very low | 38.1 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | 18.8 | 156.9 | 148.5 | -53.1 | 175.3 | 0 | 0 | 0 | 120.6 | ||||
| 127 | P | 38.4 | Very low | 38.5 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | -156.4 | 170.4 | 96.5 | 38.1 | -17.2 | 0 | 0 | 0 | 118.1 | |||||
| 128 | L | 41.1 | Very low | 38.4 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | trans | 113.9 | 116.2 | 151.1 | -95.4 | 77.4 | 0 | 0 | 0 | 120.4 | ||||
| 129 | V | 40.6 | Very low | 38.7 | Very low | 112 Ų | 112 | 141 Ų | 141 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | trans | -97.2 | 163.4 | 172.7 | 175.4 | 0 | 0 | 0 | 0 | 108.9 | E131 | V129-E131 HydrophobicContact CG1-CG 4.07Š| ||
| 130 | P | 42.3 | Very low | 38.8 | Very low | 131 Ų | 131 | 138 Ų | 138 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | -131.2 | 145.5 | 114 | 2.6 | 19.2 | 0 | 0 | 0 | 115.9 | |||||
| 131 | E | 41.4 | Very low | 38.7 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -74.9 | 162.1 | -175.3 | -53.2 | -166.3 | 150.2 | 0 | 0 | 114.7 | V129 | V129-E131 HydrophobicContact CG1-CG 4.07Š| ||
| 132 | L | 45 | Very low | 39.4 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | trans | 169.1 | 117.5 | 137.9 | -78.2 | -167.3 | 0 | 0 | 0 | 104.3 | ||||
| 133 | G | 34.3 | Very low | 39.9 | Very low | 69 Ų | 69 | 140.4 Ų | 140.4 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | cis | 118.9 | 99.2 | 25.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 134 | S | 39.4 | Very low | 40.6 | Very low | 101 Ų | 101 | 141 Ų | 141 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | 153 | 112.8 | 141 | 67.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 135 | E | 42.3 | Very low | 41.4 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | 50.9 | 107.6 | 136 | 76.4 | -156.8 | 137.9 | 0 | 0 | 120.9 | ||||
| 136 | E | 41.8 | Very low | 42.1 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | 100.7 | 158 | 87.7 | -104.7 | -122.3 | 130.1 | 0 | 0 | 112.2 | |||||
| 137 | P | 39.7 | Very low | 42.5 | Very low | 85 Ų | 85 | 143.6 Ų | 143.6 | 55% | 0.552 | 78% | 0.776 | S | S | * | * | -121.7 | -170.1 | -113.8 | 26.7 | -3.5 | 0 | 0 | 0 | 113.2 | |||||
| 138 | L | 32.9 | Very low | 43 | Very low | 151 Ų | 151 | 145.4 Ų | 145.4 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 92.1 | 113.6 | 163.8 | -47.2 | 169.4 | 0 | 0 | 0 | 115.5 | ||||
| 139 | L | 38.6 | Very low | 43.1 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | 158.4 | 119.7 | 112.6 | -82.9 | 167 | 0 | 0 | 0 | 111.5 | |||||
| 140 | N | 38 | Very low | 43.6 | Very low | 127 Ų | 127 | 148.5 Ų | 148.5 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | trans | 52.1 | 112.8 | 140.9 | -58.1 | 8 | 0 | 0 | 0 | 118 | ||||
| 141 | D | 34.5 | Very low | 44.1 | Very low | 145 Ų | 145 | 148.1 Ų | 148.1 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | 51 | 140.7 | 87.7 | -85.4 | -28.4 | 0 | 0 | 0 | 113.4 | |||||
| 142 | E | 44 | Very low | 45.1 | Very low | 176 Ų | 176 | 144.6 Ų | 144.6 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 102.7 | 33.6 | 166.1 | -48 | 178.7 | -173.1 | 0 | 0 | 119.2 | ||||
| 143 | T | 49.5 | Very low | 45.7 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -143.5 | 8.8 | 171 | 41.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 144 | E | 51.5 | Low | 46.3 | Very low | 160 Ų | 160 | 148.2 Ų | 148.2 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -99.2 | -0.4 | 179.4 | 57.6 | -173.7 | 159.9 | 0 | 0 | 115.6 | ||
| 145 | E | 52.4 | Low | 46.7 | Very low | 176 Ų | 176 | 149.8 Ų | 149.8 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -91 | -13.5 | -178 | -52.4 | -165.6 | 169.4 | 0 | 0 | 114.4 | ||
| 146 | Q | 51.6 | Low | 47.5 | Very low | 172 Ų | 172 | 145.4 Ų | 145.4 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -90.2 | -3.9 | -176.3 | -154.3 | 72.5 | 34.8 | 0 | 0 | 113.9 | ||
| 147 | L | 52.3 | Low | 48.1 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -105.9 | -2.9 | -175.5 | -63.6 | 179.3 | 0 | 0 | 0 | 114.6 | ||
| 148 | L | 49.2 | Very low | 48.9 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -104.2 | 5.7 | -175.4 | -79.5 | 159.3 | 0 | 0 | 0 | 115.4 | ||
| 149 | C | 43.2 | Very low | 49.7 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | trans | -127.8 | 68.9 | 179.2 | -69.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 150 | R | 51.8 | Low | 50.4 | Low | 229 Ų | 229 | 139.1 Ų | 139.1 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | trans | -120.8 | 96.7 | 159 | -69.6 | -142.7 | 166.6 | 107.7 | 1.7 | 109.3 | ||||
| 151 | V | 53.2 | Low | 51.4 | Low | 123 Ų | 123 | 138.2 Ų | 138.2 | 75% | 0.745 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 132.4 | 174.6 | -176.2 | 0 | 0 | 0 | 0 | 108 | V153 | V151-V153 PolarHBondContact O-N 3.08Š|
| 152 | P | 61.6 | Low | 52.3 | Low | 97 Ų | 97 | 140.8 Ų | 140.8 | 63% | 0.63 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 120 | 173.8 | -23.4 | 33.5 | 0 | 0 | 0 | 110.7 | F154 | P152-F154 PolarHBondContact O-N 3.15Š|
| 153 | V | 57 | Low | 52.7 | Low | 136 Ų | 136 | 137.1 Ų | 137.1 | 82% | 0.824 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 117.7 | 169.6 | 179.7 | 0 | 0 | 0 | 0 | 106.5 | V151 | V151-V153 PolarHBondContact O-N 3.08Š|
| 154 | F | 47.2 | Very low | 52.8 | Low | 187 Ų | 187 | 138.1 Ų | 138.1 | 82% | 0.82 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 129.8 | 168.6 | -69.6 | -80.9 | 0 | 0 | 0 | 108.3 | P152 A156 | P152-F154 PolarHBondContact O-N 3.15Å; F154-A156 PolarHBondContact O-N 3.01Å |
| 155 | D | 49 | Very low | 52.9 | Low | 134 Ų | 134 | 137 Ų | 137 | 72% | 0.717 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 131.7 | 177.3 | -89.3 | -36.5 | 0 | 0 | 0 | 110.9 | E157 | D155-E157 PolarHBondContact O-N 3.29Š|
| 156 | A | 59.2 | Low | 52.7 | Low | 81 Ų | 81 | 137.1 Ų | 137.1 | 67% | 0.669 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -65.9 | -6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F154 | F154-A156 PolarHBondContact O-N 3.01Š|
| 157 | E | 54.8 | Low | 52.3 | Low | 161 Ų | 161 | 135.6 Ų | 135.6 | 75% | 0.752 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -80.4 | -19.2 | -174.7 | -64.2 | -172.8 | 164.4 | 0 | 0 | 114.1 | D155 | D155-E157 PolarHBondContact O-N 3.29Š|
| 158 | L | 55.5 | Low | 52.1 | Low | 130 Ų | 130 | 137.4 Ų | 137.4 | 68% | 0.681 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -82.4 | -12.2 | 175.6 | -93.4 | 158.6 | 0 | 0 | 0 | 113.7 | ||
| 159 | C | 49.3 | Very low | 51.8 | Low | 81 Ų | 81 | 137 Ų | 137 | 55% | 0.547 | 72% | 0.719 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.3 | -18.6 | 179.5 | -159.5 | 0 | 0 | 0 | 0 | 112.8 | N163 | C159-N163 PolarHBondContact O-ND2 2.81Š|
| 160 | S | 54.5 | Low | 51.7 | Low | 65 Ų | 65 | 138.9 Ų | 138.9 | 46% | 0.455 | 73% | 0.727 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.2 | -34.1 | 179.1 | -53.9 | 0 | 0 | 0 | 0 | 112.5 | Y162 N163 E164 | S160-Y162 VanDerWaalsContact C-N 3.28Å; S160-Y162 PolarHBondContact O-N 3.24Å; S160-N163 PolarHBondContact O-N 3.22Å; S160-E164 PolarHBondContact O-N 3.36Å; S160-E164 VanDerWaalsContact O-N 3.16Å |
| 161 | I | 57.3 | Low | 51.1 | Low | 107 Ų | 107 | 132.5 Ų | 132.5 | 55% | 0.549 | 72% | 0.724 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.3 | -28 | -178 | -57.5 | 173.2 | 0 | 0 | 0 | 112.1 | ||
| 162 | Y | 53.2 | Low | 50.5 | Low | 200 Ų | 200 | 131.7 Ų | 131.7 | 78% | 0.784 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -11.3 | 178.5 | -86.3 | -87.1 | 0 | 0 | 0 | 114.1 | S160 | S160-Y162 VanDerWaalsContact C-N 3.28Å; S160-Y162 PolarHBondContact O-N 3.24Å |
| 163 | N | 53.5 | Low | 49.4 | Very low | 98 Ų | 98 | 130.7 Ų | 130.7 | 52% | 0.524 | 74% | 0.737 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.9 | -22.5 | 178.1 | -67.6 | -55.4 | 0 | 0 | 0 | 112.8 | C159 S160 V165 K166 | C159-N163 PolarHBondContact O-ND2 2.81Å; S160-N163 PolarHBondContact O-N 3.22Å; N163-V165 VanDerWaalsContact C-N 3.3Å; N163-V165 PolarHBondContact O-N 3.17Å; N163-K166 PolarHBondContact O-N 2.97Å |
| 164 | E | 51.9 | Low | 48.9 | Very low | 154 Ų | 154 | 133.4 Ų | 133.4 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -12.4 | 177.5 | -87 | 178 | 153.9 | 0 | 0 | 115.2 | S160 | S160-E164 PolarHBondContact O-N 3.36Å; S160-E164 VanDerWaalsContact O-N 3.16Å |
| 165 | V | 52.6 | Low | 48.8 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -0.4 | 177.3 | -167.7 | 0 | 0 | 0 | 0 | 112.4 | N163 | N163-V165 VanDerWaalsContact C-N 3.3Å; N163-V165 PolarHBondContact O-N 3.17Å |
| 166 | K | 48.3 | Very low | 48.4 | Very low | 180 Ų | 180 | 131.7 Ų | 131.7 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -113.7 | -7.9 | -174.2 | -151.2 | 163.6 | -176.8 | 173.2 | 0 | 115.1 | N163 | N163-K166 PolarHBondContact O-N 2.97Š|
| 167 | D | 44.1 | Very low | 47.9 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -122.2 | 49.6 | -176.3 | -69.8 | -30.4 | 0 | 0 | 0 | 112.5 | ||
| 168 | E | 47.1 | Very low | 47.2 | Very low | 184 Ų | 184 | 135.4 Ų | 135.4 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -146.1 | 52.3 | 163.1 | -81.6 | -150.3 | 152.7 | 0 | 0 | 111.7 | ||
| 169 | V | 44.3 | Very low | 46.9 | Very low | 143 Ų | 143 | 136.6 Ų | 136.6 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | -146.3 | 64.6 | 161.4 | -165.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 170 | V | 40 | Very low | 46.8 | Very low | 152 Ų | 152 | 141 Ų | 141 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -137.9 | 75.6 | 165.3 | -174.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 171 | A | 40 | Very low | 46.5 | Very low | 95 Ų | 95 | 144.8 Ų | 144.8 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -174.1 | 132.5 | 153.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 172 | A | 39.2 | Very low | 45.7 | Very low | 107 Ų | 107 | 149 Ų | 149 | 88% | 0.884 | 81% | 0.809 | S | S | * | * | trans | 78.9 | 121.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 173 | G | 40.4 | Very low | 45.5 | Very low | 75 Ų | 75 | 145.1 Ų | 145.1 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | 98.4 | 100.5 | 133.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | E175 | G173-E175 PolarHBondContact O-N 3.19Š| ||
| 174 | E | 45.7 | Very low | 45.4 | Very low | 194 Ų | 194 | 145.6 Ų | 145.6 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | trans | -44.6 | 118.8 | 154.3 | -54.7 | 167.2 | 152.1 | 0 | 0 | 109.6 | ||||
| 175 | E | 44.6 | Very low | 45.5 | Very low | 185 Ų | 185 | 147.3 Ų | 147.3 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | trans | -157.4 | 129.7 | 139.7 | -73.8 | -139.3 | 169.1 | 0 | 0 | 108.4 | G173 L177 | G173-E175 PolarHBondContact O-N 3.19Å; E175-L177 PolarHBondContact O-N 3.21Å | ||
| 176 | A | 41.2 | Very low | 45.7 | Very low | 100 Ų | 100 | 150.5 Ų | 150.5 | 83% | 0.826 | 83% | 0.834 | S | S | * | * | trans | -69.4 | 123.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 177 | L | 48.1 | Very low | 46.2 | Very low | 160 Ų | 160 | 149 Ų | 149 | 84% | 0.838 | 83% | 0.834 | S | S | * | * | trans | -133.7 | 121.8 | 164.4 | -67.9 | 177.1 | 0 | 0 | 0 | 109.1 | E175 L179 | E175-L177 PolarHBondContact O-N 3.21Å; L177-L179 PolarHBondContact O-N 3.03Å | ||
| 178 | D | 40.5 | Very low | 47 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -57.6 | 118.3 | -176.8 | -68.4 | -49 | 0 | 0 | 0 | 112.2 | E180 | D178-E180 VanDerWaalsContact C-N 3.35Å; D178-E180 PolarHBondContact O-N 2.95Å | ||
| 179 | L | 49.9 | Very low | 48.5 | Very low | 155 Ų | 155 | 141 Ų | 141 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -98.9 | 58.2 | 171.5 | -168.2 | 64.2 | 0 | 0 | 0 | 110 | L177 | L177-L179 PolarHBondContact O-N 3.03Š| ||
| 180 | E | 46 | Very low | 50.3 | Low | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -116.1 | 63.8 | 170.1 | -72.6 | -76.4 | 161.2 | 0 | 0 | 107.7 | D178 | D178-E180 VanDerWaalsContact C-N 3.35Å; D178-E180 PolarHBondContact O-N 2.95Å | ||
| 181 | N | 49.2 | Very low | 52.4 | Low | 144 Ų | 144 | 138.5 Ų | 138.5 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -152.5 | 20.8 | 175.6 | -159.2 | 75.5 | 0 | 0 | 0 | 114.2 | ||||
| 182 | F | 40.7 | Very low | 54.4 | Low | 194 Ų | 194 | 137.8 Ų | 137.8 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -121.4 | 12.8 | 176.4 | -110.6 | -87.9 | 0 | 0 | 0 | 114.8 | ||
| 183 | S | 48.4 | Very low | 56.7 | Low | 119 Ų | 119 | 137.5 Ų | 137.5 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -134.2 | 79.3 | -180 | -60.8 | 0 | 0 | 0 | 0 | 110.1 | ||
| 184 | S | 51.9 | Low | 58.9 | Low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -153.7 | -16.1 | 173.2 | -177.7 | 0 | 0 | 0 | 0 | 116.3 | ||
| 185 | E | 54.2 | Low | 60.9 | Low | 190 Ų | 190 | 133.6 Ų | 133.6 | 89% | 0.888 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -99.6 | 1.3 | -168.4 | -82 | -179.6 | 153.1 | 0 | 0 | 116.3 | ||
| 186 | F | 55.1 | Low | 63 | Low | 202 Ų | 202 | 130.1 Ų | 130.1 | 89% | 0.886 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -127.4 | 7.6 | -177.1 | -95.7 | -87.1 | 0 | 0 | 0 | 115.8 | ||
| 187 | L | 59.2 | Low | 65 | Low | 148 Ų | 148 | 128.5 Ų | 128.5 | 78% | 0.775 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -112.9 | 129.7 | 172.1 | -61.5 | 178.7 | 0 | 0 | 0 | 108 | S189 | L187-S189 PolarHBondContact O-N 3.29Š|
| 188 | P | 62.1 | Low | 66.9 | Low | 101 Ų | 101 | 123.6 Ų | 123.6 | 66% | 0.656 | 67% | 0.669 | S | S | * | * | trans | -49.8 | 130.2 | 166.7 | -22.4 | 32.3 | 0 | 0 | 0 | 108.2 | D192 | P188-D192 HydrophobicContact CB-CB 4.03Š| ||
| 189 | S | 78.4 | Confident | 69.2 | Low | 54 Ų | 54 | 120.7 Ų | 120.7 | 38% | 0.378 | 65% | 0.653 | S | S | . | * | trans | -60 | 152.9 | 177.3 | 63.7 | 0 | 0 | 0 | 0 | 109.2 | L187 T191 D192 L193 | L187-S189 PolarHBondContact O-N 3.29Å; S189-T191 PolarHBondContact O-N 3.27Å; S189-D192 PolarHBondContact N-OD2 3.04Å; S189-D192 WeakPolarHBondContact O-CB 3.44Å; S189-D192 PolarHBondContact O-N 3.43Å; S189-D192 VanDerWaalsContact OG-CG 3.24Å; S189-D192 PolarHBondContact OG-N 3.31Å; S189-D192 PolarHBondContact OG-OD2 2.7Å; S189-L193 PolarHBondContact O-N 2.96Å | ||
| 190 | D | 80.7 | Confident | 70.9 | Confident | 143 Ų | 143 | 116 Ų | 116 | 77% | 0.765 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -53.9 | -25.3 | 174.2 | -84.4 | -32 | 0 | 0 | 0 | 112 | L193 A194 | D190-L193 PolarHBondContact O-N 3.24Å; D190-A194 WeakPolarHBondContact O-CB 3.5Å; D190-A194 PolarHBondContact O-N 3.35Å |
| 191 | T | 84.1 | Confident | 72.8 | Confident | 101 Ų | 101 | 114 Ų | 114 | 62% | 0.62 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.8 | -44 | 171.7 | -46.1 | 0 | 0 | 0 | 0 | 112.7 | S189 L193 A194 E195 | S189-T191 PolarHBondContact O-N 3.27Å; T191-L193 VanDerWaalsContact C-N 3.3Å; T191-L193 PolarHBondContact O-N 3.34Å; T191-A194 PolarHBondContact O-N 3.42Å; T191-E195 PolarHBondContact O-N 3.49Å |
| 192 | D | 82.8 | Confident | 74.3 | Confident | 80 Ų | 80 | 111.6 Ų | 111.6 | 43% | 0.428 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.1 | -34.1 | 179.7 | -59.5 | -47.8 | 0 | 0 | 0 | 111.3 | P188 S189 F196 | P188-D192 HydrophobicContact CB-CB 4.03Å; S189-D192 PolarHBondContact N-OD2 3.04Å; S189-D192 WeakPolarHBondContact O-CB 3.44Å; S189-D192 PolarHBondContact O-N 3.43Å; S189-D192 VanDerWaalsContact OG-CG 3.24Å; S189-D192 PolarHBondContact OG-N 3.31Å; S189-D192 PolarHBondContact OG-OD2 2.7Å; D192-F196 WeakPolarHBondContact O-CB 2.84Å; D192-F196 PolarHBondContact O-N 2.85Å |
| 193 | L | 87.9 | Confident | 76 | Confident | 101 Ų | 101 | 110.9 Ų | 110.9 | 53% | 0.529 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -72 | -37.2 | 175.5 | -173.3 | 62.3 | 0 | 0 | 0 | 111.9 | S189 D190 T191 T197 | S189-L193 PolarHBondContact O-N 2.96Å; D190-L193 PolarHBondContact O-N 3.24Å; T191-L193 VanDerWaalsContact C-N 3.3Å; T191-L193 PolarHBondContact O-N 3.34Å; L193-T197 WeakPolarHBondContact O-CG2 3.28Å; L193-T197 PolarHBondContact O-N 2.85Å; L193-T197 PolarHBondContact O-OG1 2.86Å |
| 194 | A | 86.4 | Confident | 77.3 | Confident | 55 Ų | 55 | 111.8 Ų | 111.8 | 46% | 0.455 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.9 | -41.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D190 T191 T197 A198 | D190-A194 WeakPolarHBondContact O-CB 3.5Å; D190-A194 PolarHBondContact O-N 3.35Å; T191-A194 PolarHBondContact O-N 3.42Å; A194-T197 WeakPolarHBondContact CA-OG1 3.22Å; A194-T197 PolarHBondContact O-N 2.97Å; A194-T197 PolarHBondContact O-OG1 2.83Å; A194-A198 WeakPolarHBondContact O-CB 3.44Å; A194-A198 PolarHBondContact O-N 3.32Å |
| 195 | E | 88.3 | Confident | 77.5 | Confident | 132 Ų | 132 | 109.3 Ų | 109.3 | 62% | 0.617 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.8 | -44.2 | 175 | -169.3 | 175.1 | -173.2 | 0 | 0 | 111.1 | T191 T197 A198 D199 | T191-E195 PolarHBondContact O-N 3.49Å; E195-T197 VanDerWaalsContact C-N 3.35Å; E195-T197 PolarHBondContact O-N 3.48Å; E195-A198 PolarHBondContact O-N 3.08Å; E195-D199 WeakPolarHBondContact O-CB 3.44Å; E195-D199 PolarHBondContact O-N 3.3Å |
| 196 | F | 87.3 | Confident | 77.7 | Confident | 112 Ų | 112 | 106.5 Ų | 106.5 | 49% | 0.491 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60 | -41.9 | 174.5 | 177.6 | -100.7 | 0 | 0 | 0 | 112.6 | D192 D199 V200 | D192-F196 WeakPolarHBondContact O-CB 2.84Å; D192-F196 PolarHBondContact O-N 2.85Å; F196-D199 PolarHBondContact O-N 3.06Å; F196-V200 HydrophobicContact CD1-CG2 4.44Å; F196-V200 HydrophobicContact CE1-CG2 4.02Å; F196-V200 HydrophobicContact CE2-CG2 4.15Å; F196-V200 HydrophobicContact CZ-CG2 3.86Å; F196-V200 WeakPolarHBondContact O-CG2 3.39Å; F196-V200 PolarHBondContact O-N 3.45Å |
| 197 | T | 83.9 | Confident | 77.3 | Confident | 66 Ų | 66 | 100.6 Ų | 100.6 | 41% | 0.405 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.5 | -32.1 | 177.1 | 45.9 | 0 | 0 | 0 | 0 | 112.8 | L193 A194 E195 K201 | L193-T197 WeakPolarHBondContact O-CG2 3.28Å; L193-T197 PolarHBondContact O-N 2.85Å; L193-T197 PolarHBondContact O-OG1 2.86Å; A194-T197 WeakPolarHBondContact CA-OG1 3.22Å; A194-T197 PolarHBondContact O-N 2.97Å; A194-T197 PolarHBondContact O-OG1 2.83Å; E195-T197 VanDerWaalsContact C-N 3.35Å; E195-T197 PolarHBondContact O-N 3.48Å; T197-K201 WeakPolarHBondContact O-CB 3.32Å; T197-K201 WeakPolarHBondContact O-CG 3.48Å; T197-K201 PolarHBondContact O-N 2.85Å |
| 198 | A | 87.2 | Confident | 76.9 | Confident | 57 Ų | 57 | 96.9 Ų | 96.9 | 47% | 0.471 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.7 | -41.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A194 E195 K201 S202 | A194-A198 WeakPolarHBondContact O-CB 3.44Å; A194-A198 PolarHBondContact O-N 3.32Å; E195-A198 PolarHBondContact O-N 3.08Å; A198-K201 PolarHBondContact O-N 3.41Å; A198-S202 WeakPolarHBondContact O-CB 3.46Å; A198-S202 PolarHBondContact O-N 2.79Å |
| 199 | D | 90.3 | Very high | 76.5 | Confident | 97 Ų | 97 | 100 Ų | 100 | 52% | 0.519 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.8 | -39.2 | 179.1 | -154.6 | 40.3 | 0 | 0 | 0 | 111.4 | E195 F196 S202 F203 | E195-D199 WeakPolarHBondContact O-CB 3.44Å; E195-D199 PolarHBondContact O-N 3.3Å; F196-D199 PolarHBondContact O-N 3.06Å; D199-S202 WeakPolarHBondContact O-CB 3.31Å; D199-S202 PolarHBondContact O-N 3.33Å; D199-F203 PolarHBondContact O-N 3.5Å |
| 200 | V | 85.8 | Confident | 75.4 | Confident | 58 Ų | 58 | 105.6 Ų | 105.6 | 35% | 0.352 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.7 | -39.8 | 172 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | F196 F203 L204 | F196-V200 HydrophobicContact CD1-CG2 4.44Å; F196-V200 HydrophobicContact CE1-CG2 4.02Å; F196-V200 HydrophobicContact CE2-CG2 4.15Å; F196-V200 HydrophobicContact CZ-CG2 3.86Å; F196-V200 WeakPolarHBondContact O-CG2 3.39Å; F196-V200 PolarHBondContact O-N 3.45Å; V200-F203 PolarHBondContact O-N 3.43Å; V200-L204 HydrophobicContact CG1-CD1 3.86Å; V200-L204 HydrophobicContact CG1-CG 4.4Å; V200-L204 WeakPolarHBondContact O-CB 3.48Å; V200-L204 VanDerWaalsContact O-CG 3.3Å; V200-L204 WeakPolarHBondContact O-CG 3.49Å; V200-L204 PolarHBondContact O-N 3.15Å |
| 201 | K | 84.4 | Confident | 74 | Confident | 132 Ų | 132 | 106.3 Ų | 106.3 | 57% | 0.574 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.9 | -37.2 | 174.4 | -81.5 | 173.5 | 177.9 | 168.7 | 0 | 112.3 | T197 A198 L204 G205 | T197-K201 WeakPolarHBondContact O-CB 3.32Å; T197-K201 WeakPolarHBondContact O-CG 3.48Å; T197-K201 PolarHBondContact O-N 2.85Å; A198-K201 PolarHBondContact O-N 3.41Å; K201-L204 PolarHBondContact O-N 3.47Å; K201-G205 PolarHBondContact O-N 2.96Å |
| 202 | S | 81.8 | Confident | 72.3 | Confident | 93 Ų | 93 | 106.8 Ų | 106.8 | 65% | 0.65 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.5 | -44.8 | 172.5 | -176.7 | 0 | 0 | 0 | 0 | 111.4 | A198 D199 L204 G205 | A198-S202 WeakPolarHBondContact O-CB 3.46Å; A198-S202 PolarHBondContact O-N 2.79Å; D199-S202 WeakPolarHBondContact O-CB 3.31Å; D199-S202 PolarHBondContact O-N 3.33Å; S202-L204 VanDerWaalsContact C-N 3.32Å; S202-L204 PolarHBondContact O-N 3.34Å; S202-G205 PolarHBondContact O-N 2.99Å |
| 203 | F | 75.4 | Confident | 70.8 | Confident | 180 Ų | 180 | 107.7 Ų | 107.7 | 79% | 0.789 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.6 | -29.9 | 175.7 | -107.1 | -84.4 | 0 | 0 | 0 | 114 | D199 V200 | D199-F203 PolarHBondContact O-N 3.5Å; V200-F203 PolarHBondContact O-N 3.43Å |
| 204 | L | 75.3 | Confident | 68.9 | Low | 138 Ų | 138 | 109.3 Ų | 109.3 | 72% | 0.723 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -86.6 | -3.4 | -179.2 | -71 | 175.8 | 0 | 0 | 0 | 114.1 | V200 K201 S202 | V200-L204 HydrophobicContact CG1-CD1 3.86Å; V200-L204 HydrophobicContact CG1-CG 4.4Å; V200-L204 WeakPolarHBondContact O-CB 3.48Å; V200-L204 VanDerWaalsContact O-CG 3.3Å; V200-L204 WeakPolarHBondContact O-CG 3.49Å; V200-L204 PolarHBondContact O-N 3.15Å; K201-L204 PolarHBondContact O-N 3.47Å; S202-L204 VanDerWaalsContact C-N 3.32Å; S202-L204 PolarHBondContact O-N 3.34Å |
| 205 | G | 57.7 | Low | 67.3 | Low | 55 Ų | 55 | 113.2 Ų | 113.2 | 57% | 0.567 | 65% | 0.65 | S | S | * | * | trans | 62.9 | 94.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K201 S202 G207 | K201-G205 PolarHBondContact O-N 2.96Å; S202-G205 PolarHBondContact O-N 2.99Å; G205-G207 VanDerWaalsContact C-N 3.34Å; G205-G207 PolarHBondContact O-N 3.45Å | ||
| 206 | N | 56.8 | Low | 65.5 | Low | 132 Ų | 132 | 114 Ų | 114 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | trans | -59.5 | 94.4 | 165.3 | -89.5 | 50.5 | 0 | 0 | 0 | 110.2 | A208 | N206-A208 PolarHBondContact O-N 2.91Š| ||
| 207 | G | 47 | Very low | 63.9 | Low | 77 Ų | 77 | 116.4 Ų | 116.4 | 79% | 0.794 | 67% | 0.671 | S | S | * | * | trans | -79 | 78.7 | 157 | 0 | 0 | 0 | 0 | 0 | 108.6 | G205 | G205-G207 VanDerWaalsContact C-N 3.34Å; G205-G207 PolarHBondContact O-N 3.45Å | ||
| 208 | A | 52.2 | Low | 62 | Low | 70 Ų | 70 | 120.3 Ų | 120.3 | 58% | 0.579 | 69% | 0.685 | S | S | * | * | trans | -86.3 | 107.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | N206 | N206-A208 PolarHBondContact O-N 2.91Š| ||
| 209 | D | 52.8 | Low | 60.2 | Low | 166 Ų | 166 | 122 Ų | 122 | 89% | 0.888 | 69% | 0.689 | S | S | * | * | trans | -102.3 | 89.4 | 157.3 | -65.2 | -39.3 | 0 | 0 | 0 | 105.6 | ||||
| 210 | E | 55.1 | Low | 58.1 | Low | 172 Ų | 172 | 126.5 Ų | 126.5 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | -89.3 | 104 | 162.2 | -70.5 | -95.2 | 151.1 | 0 | 0 | 106.2 | ||||
| 211 | D | 51.1 | Low | 55.9 | Low | 159 Ų | 159 | 132.5 Ų | 132.5 | 85% | 0.85 | 73% | 0.728 | S | S | * | * | trans | -163.1 | 96.5 | 161.5 | -84.6 | -42.1 | 0 | 0 | 0 | 106.1 | ||||
| 212 | S | 49 | Very low | 54 | Low | 111 Ų | 111 | 131.5 Ų | 131.5 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | 91.9 | 148 | 98 | -160.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 213 | P | 50.9 | Low | 52.2 | Low | 98 Ų | 98 | 135.4 Ų | 135.4 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | -121.6 | -158.5 | -102.6 | 24.3 | 3.4 | 0 | 0 | 0 | 111.3 | |||||
| 214 | D | 48.3 | Very low | 50.3 | Low | 136 Ų | 136 | 134.1 Ų | 134.1 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | 96.4 | 120.1 | 173.9 | -45.4 | -24.4 | 0 | 0 | 0 | 111.4 | ||||
| 215 | D | 53.6 | Low | 48.4 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | cis | -158.7 | 172.9 | 14.2 | -72.8 | -57.6 | 0 | 0 | 0 | 109.5 | ||||
| 216 | D | 50.6 | Low | 47.6 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | 87.6 | 84.4 | 156.2 | -56.7 | -39.7 | 0 | 0 | 0 | 120.1 | ||||
| 217 | E | 52.3 | Low | 47 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | 48.5 | 129 | 117.7 | -79.5 | -139.6 | 115.3 | 0 | 0 | 121.8 | |||||
| 218 | H | 44.8 | Very low | 46.7 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | 102 | 89.3 | 136.6 | -101.7 | 63.9 | 0 | 0 | 0 | 119.2 | ||||
| 219 | V | 48.3 | Very low | 46.4 | Very low | 92 Ų | 92 | 145.8 Ų | 145.8 | 56% | 0.558 | 77% | 0.774 | S | S | * | * | 90.7 | 121.2 | 111.6 | 166.3 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 220 | K | 46.3 | Very low | 46 | Very low | 191 Ų | 191 | 147.4 Ų | 147.4 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | trans | 90.3 | 98.5 | 153 | -76.4 | 158.5 | -163.1 | 168.5 | 0 | 118.7 | ||||
| 221 | E | 39.9 | Very low | 45.5 | Very low | 185 Ų | 185 | 147.9 Ų | 147.9 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -33.7 | 137 | 140.7 | -62.4 | 169.3 | 139.1 | 0 | 0 | 112.6 | ||||
| 222 | S | 45.6 | Very low | 45.6 | Very low | 110 Ų | 110 | 149.4 Ų | 149.4 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -174 | 120.5 | 138.9 | -75.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 223 | E | 42.3 | Very low | 45.5 | Very low | 175 Ų | 175 | 152.3 Ų | 152.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 42.5 | 109.5 | 139.8 | -73.7 | 175 | 133.4 | 0 | 0 | 120.4 | L225 | E223-L225 PolarHBondContact O-N 3.1Š| ||
| 224 | L | 35.8 | Very low | 45.4 | Very low | 154 Ų | 154 | 151.4 Ų | 151.4 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | 19.7 | 92.5 | 113.2 | -152.8 | 171.7 | 0 | 0 | 0 | 115.7 | |||||
| 225 | L | 36.1 | Very low | 45.2 | Very low | 143 Ų | 143 | 151.1 Ų | 151.1 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | -141.6 | 114.3 | 152.5 | -84.1 | 179.8 | 0 | 0 | 0 | 111.2 | E223 L227 | E223-L225 PolarHBondContact O-N 3.1Å; L225-L227 PolarHBondContact O-N 3.47Å | ||
| 226 | I | 40 | Very low | 45.4 | Very low | 148 Ų | 148 | 154 Ų | 154 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -60.3 | 110.1 | 156 | -63.2 | 167.7 | 0 | 0 | 0 | 106.1 | ||||
| 227 | L | 44.3 | Very low | 45.5 | Very low | 146 Ų | 146 | 155.6 Ų | 155.6 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -103.4 | 112.2 | 173.3 | -82 | 166.8 | 0 | 0 | 0 | 110 | L225 | L225-L227 PolarHBondContact O-N 3.47Š| ||
| 228 | D | 40.5 | Very low | 45.8 | Very low | 142 Ų | 142 | 156.7 Ų | 156.7 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | trans | -59.7 | 124.5 | 162.7 | -74.9 | -48.8 | 0 | 0 | 0 | 109.8 | K230 | D228-K230 PolarHBondContact O-N 3.33Å; D228-K230 VanDerWaalsContact O-N 3.14Å | ||
| 229 | C | 46.6 | Very low | 45.8 | Very low | 137 Ų | 137 | 156.3 Ų | 156.3 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | trans | -74.2 | 102.5 | 165.5 | -63.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 230 | K | 45.6 | Very low | 45.9 | Very low | 200 Ų | 200 | 161 Ų | 161 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | trans | -90.6 | 134.4 | 170.2 | -151.1 | 165.4 | -179.5 | 170.5 | 0 | 108.8 | D228 | D228-K230 PolarHBondContact O-N 3.33Å; D228-K230 VanDerWaalsContact O-N 3.14Å | ||
| 231 | E | 44.4 | Very low | 45.8 | Very low | 182 Ų | 182 | 156.8 Ų | 156.8 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | trans | -63.8 | 139.6 | 178.4 | -64.2 | 164.9 | 163.4 | 0 | 0 | 110.6 | ||||
| 232 | E | 52.4 | Low | 46.2 | Very low | 191 Ų | 191 | 155.1 Ų | 155.1 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -116.7 | 113.1 | 160.6 | -71.8 | -84.6 | 150.6 | 0 | 0 | 106.2 | ||||
| 233 | E | 47.1 | Very low | 46.1 | Very low | 172 Ų | 172 | 157.1 Ų | 157.1 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -65.4 | 137.3 | 167.5 | -84.9 | 167.9 | 147.1 | 0 | 0 | 109.6 | ||||
| 234 | G | 48.4 | Very low | 46.2 | Very low | 79 Ų | 79 | 152.1 Ų | 152.1 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | trans | -125 | 98.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 235 | D | 44 | Very low | 46.6 | Very low | 130 Ų | 130 | 152.2 Ų | 152.2 | 70% | 0.695 | 82% | 0.817 | S | S | * | * | trans | -83.9 | 123.7 | 178.3 | -44.4 | -47.1 | 0 | 0 | 0 | 109.1 | ||||
| 236 | E | 57.3 | Low | 46.8 | Very low | 198 Ų | 198 | 152.8 Ų | 152.8 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | -131.3 | 103.8 | 160.4 | -72.3 | -170.1 | 177.3 | 0 | 0 | 109.1 | ||||
| 237 | E | 52.5 | Low | 47 | Very low | 180 Ų | 180 | 153.3 Ų | 153.3 | 84% | 0.841 | 82% | 0.823 | S | S | * | * | trans | -65.5 | 140.1 | 171.5 | -66.3 | 176.8 | 153.4 | 0 | 0 | 111.3 | ||||
| 238 | M | 59.9 | Low | 46.7 | Very low | 188 Ų | 188 | 149.4 Ų | 149.4 | 93% | 0.926 | 82% | 0.818 | S | S | * | * | trans | -138.5 | 95.1 | 155 | -171.5 | -166.6 | -71.1 | 0 | 0 | 108.2 | ||||
| 239 | D | 45.4 | Very low | 46.7 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 74% | 0.743 | 82% | 0.818 | S | S | * | * | trans | -86.6 | 125.5 | 164.8 | -82.7 | -33.7 | 0 | 0 | 0 | 109.4 | ||||
| 240 | E | 50.3 | Low | 46.7 | Very low | 192 Ų | 192 | 149.2 Ų | 149.2 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | trans | -148.7 | 104.3 | 145.4 | -150.7 | 168.8 | -164.3 | 0 | 0 | 109.9 | ||||
| 241 | C | 44.1 | Very low | 46.5 | Very low | 102 Ų | 102 | 146.3 Ų | 146.3 | 69% | 0.689 | 81% | 0.806 | S | S | * | * | trans | -78.4 | 154.1 | 170.2 | -55.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 242 | I | 47.9 | Very low | 46.6 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | trans | -174.6 | 124.4 | 131.9 | -89.8 | 148.5 | 0 | 0 | 0 | 109.7 | ||||
| 243 | D | 43 | Very low | 46 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | 43.8 | 121.2 | 151.7 | -59.5 | -24 | 0 | 0 | 0 | 120 | ||||
| 244 | G | 43.8 | Very low | 45.9 | Very low | 71 Ų | 71 | 139.6 Ų | 139.6 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | cis | 95.9 | 105.9 | 37 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 245 | V | 44.9 | Very low | 45.5 | Very low | 155 Ų | 155 | 145 Ų | 145 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | trans | 177.9 | 134.3 | 138.6 | 151.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 246 | L | 40.8 | Very low | 46 | Very low | 155 Ų | 155 | 145.1 Ų | 145.1 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -89.1 | 174.7 | -171.3 | -176.4 | 69.6 | 0 | 0 | 0 | 112.4 | ||||
| 247 | I | 43.1 | Very low | 45.3 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 82% | 0.821 | 79% | 0.794 | S | S | * | * | trans | 109.5 | 119.5 | 158 | -52.8 | 156.3 | 0 | 0 | 0 | 111 | ||||
| 248 | G | 38.6 | Very low | 45.4 | Very low | 64 Ų | 64 | 140.7 Ų | 140.7 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | cis | 135.1 | 136.6 | 14.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 249 | A | 41.6 | Very low | 45 | Very low | 93 Ų | 93 | 138.9 Ų | 138.9 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | 70.8 | 148.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 250 | K | 46.4 | Very low | 45.3 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 79% | 0.787 | 79% | 0.789 | S | S | * | * | cis | -174.1 | 146.8 | -0.2 | -106.3 | 169.2 | -172.5 | 172.5 | 0 | 108.4 | ||||
| 251 | D | 41.6 | Very low | 45.2 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | trans | 61.9 | 133.6 | 137.6 | -58.1 | -32.2 | 0 | 0 | 0 | 125.3 | ||||
| 252 | A | 45.2 | Very low | 45.8 | Very low | 99 Ų | 99 | 144 Ų | 144 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 68.5 | 153.5 | 138.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 253 | M | 40.9 | Very low | 45.5 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | cis | 177 | 147.8 | -13.8 | 172.9 | 160 | 83.7 | 0 | 0 | 102.7 | ||||
| 254 | V | 44.4 | Very low | 45.6 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | 152.8 | 137.2 | 141.2 | 163.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 255 | K | 40 | Very low | 45.8 | Very low | 192 Ų | 192 | 143.7 Ų | 143.7 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -113.8 | 132.9 | -167.2 | 167.5 | -173.7 | -175.5 | 176.2 | 0 | 107.6 | ||||
| 256 | V | 53.8 | Low | 46 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | -142.9 | 145.8 | 155.9 | -176.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 257 | K | 43.8 | Very low | 46.2 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 63% | 0.63 | 78% | 0.778 | S | S | * | * | trans | -100.5 | -172.1 | -163.7 | -156.1 | -180 | 177.2 | -139.9 | 0 | 109.6 | E259 | K257-E259 WeakPolarHBondContact CE-OE1 3.48Å; K257-E259 IonicContact NZ-OE1 2.73Å; K257-E259 PolarHBondContact NZ-OE1 2.91Å | ||
| 258 | D | 53.7 | Low | 46.6 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | 112.1 | 92 | 165.5 | -49.1 | -20.3 | 0 | 0 | 0 | 109.9 | ||||
| 259 | E | 51 | Low | 46.6 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | 57 | 91.7 | 71.1 | -54.9 | -161.7 | -147.8 | 0 | 0 | 112.8 | K257 | K257-E259 WeakPolarHBondContact CE-OE1 3.48Å; K257-E259 IonicContact NZ-OE1 2.73Å; K257-E259 PolarHBondContact NZ-OE1 2.91Å | |||
| 260 | E | 52.5 | Low | 47 | Very low | 201 Ų | 201 | 145 Ų | 145 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | trans | -157.5 | 134.1 | 134.8 | -121.5 | -174.1 | 177.4 | 0 | 0 | 111.6 | ||||
| 261 | E | 47.9 | Very low | 46.4 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -82.1 | 145.9 | -179 | -175.3 | 178.9 | -143.9 | 0 | 0 | 109.3 | ||||
| 262 | L | 56.7 | Low | 46.6 | Very low | 174 Ų | 174 | 144.6 Ų | 144.6 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -173.2 | 124.9 | 149.7 | -101.8 | 164.8 | 0 | 0 | 0 | 111 | ||||
| 263 | D | 41.3 | Very low | 46.4 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | -79.8 | 173.1 | -176 | -65.4 | -67.4 | 0 | 0 | 0 | 115.1 | ||||
| 264 | A | 46.3 | Very low | 46.7 | Very low | 79 Ų | 79 | 141.6 Ų | 141.6 | 65% | 0.653 | 77% | 0.773 | S | S | * | * | trans | 102.2 | 108.7 | 145.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 265 | D | 46.9 | Very low | 46.7 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | 52.3 | 119 | 121.3 | -45.4 | -36.8 | 0 | 0 | 0 | 120.2 | |||||
| 266 | D | 50.1 | Low | 46.9 | Very low | 143 Ų | 143 | 141.4 Ų | 141.4 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | 164 | 126.1 | 114 | -86.4 | -23.4 | 0 | 0 | 0 | 113.4 | |||||
| 267 | D | 44 | Very low | 46.3 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | 23.2 | 114 | 142.8 | -60.2 | -32.3 | 0 | 0 | 0 | 120.2 | ||||
| 268 | T | 51.4 | Low | 46.9 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -147.2 | 114 | 142.8 | -43.3 | 0 | 0 | 0 | 0 | 111.6 | C270 | T268-C270 PolarHBondContact O-N 3.13Š| ||
| 269 | A | 40 | Very low | 46.5 | Very low | 98 Ų | 98 | 145.2 Ų | 145.2 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -55.3 | 119.2 | 170 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 270 | C | 50.1 | Low | 46.1 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 86% | 0.858 | 80% | 0.796 | S | S | * | * | trans | -98.7 | 78.8 | 164.7 | 52 | 0 | 0 | 0 | 0 | 109.7 | T268 L272 | T268-C270 PolarHBondContact O-N 3.13Å; C270-L272 PolarHBondContact O-N 2.99Å | ||
| 271 | H | 33.7 | Very low | 45.7 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | trans | -78.6 | 103 | 157.5 | 176.8 | -75.2 | 0 | 0 | 0 | 108 | D273 | H271-D273 IonicContact CE1-OD1 3.93Å; H271-D273 IonicContact CE1-OD2 2.92Å; H271-D273 PolarHBondContact CE1-OD2 2.76Å; H271-D273 IonicContact ND1-OD2 3.88Å; H271-D273 IonicContact NE2-OD1 3.9Å; H271-D273 IonicContact NE2-OD2 3.46Å; H271-D273 PolarHBondContact NE2-OD2 3.16Å | ||
| 272 | L | 45.1 | Very low | 45.7 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | trans | -133.7 | 97 | 159.9 | -101.4 | 166.3 | 0 | 0 | 0 | 108.3 | C270 | C270-L272 PolarHBondContact O-N 2.99Š| ||
| 273 | D | 41.9 | Very low | 44.9 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 58% | 0.583 | 79% | 0.786 | S | S | * | * | trans | -52.3 | 144.9 | 162.8 | -67.7 | -44.3 | 0 | 0 | 0 | 111.6 | H271 | H271-D273 IonicContact CE1-OD1 3.93Å; H271-D273 IonicContact CE1-OD2 2.92Å; H271-D273 PolarHBondContact CE1-OD2 2.76Å; H271-D273 IonicContact ND1-OD2 3.88Å; H271-D273 IonicContact NE2-OD1 3.9Å; H271-D273 IonicContact NE2-OD2 3.46Å; H271-D273 PolarHBondContact NE2-OD2 3.16Å | ||
| 274 | S | 46.2 | Very low | 44.9 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | 140.2 | 119.6 | 119 | -79.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 275 | I | 44.7 | Very low | 44.7 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 81.6 | 98 | 144.1 | -58.1 | 158.7 | 0 | 0 | 0 | 114.8 | ||||
| 276 | L | 44 | Very low | 44.3 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | -165.7 | 90.6 | 117.2 | -85.4 | -174.7 | 0 | 0 | 0 | 108.2 | |||||
| 277 | D | 42.2 | Very low | 43.7 | Very low | 157 Ų | 157 | 142 Ų | 142 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -76.3 | 118.8 | 165.5 | -94.6 | -33.5 | 0 | 0 | 0 | 109.7 | ||||
| 278 | M | 54.8 | Low | 43.4 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | -142.2 | 88.2 | 156.4 | -85.7 | -160 | 71.4 | 0 | 0 | 109.4 | ||||
| 279 | N | 45.1 | Very low | 42.9 | Very low | 160 Ų | 160 | 142.5 Ų | 142.5 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | 27 | 98.9 | 139.3 | -54.2 | 2.3 | 0 | 0 | 0 | 116.7 | ||||
| 280 | G | 44.3 | Very low | 43.1 | Very low | 75 Ų | 75 | 142.8 Ų | 142.8 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -137.3 | 72.6 | 166 | 0 | 0 | 0 | 0 | 0 | 110.1 | A282 | G280-A282 PolarHBondContact O-N 2.83Š| ||
| 281 | E | 44.2 | Very low | 42.7 | Very low | 180 Ų | 180 | 145.8 Ų | 145.8 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | 27.7 | 88.8 | 156.1 | -62.4 | 170.3 | -156.3 | 0 | 0 | 116.7 | F283 | E281-F283 PolarHBondContact O-N 3.47Å; E281-F283 VanDerWaalsContact O-N 3.12Å | ||
| 282 | A | 46 | Very low | 42.8 | Very low | 98 Ų | 98 | 144.5 Ų | 144.5 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -66.4 | 106.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | G280 N284 | G280-A282 PolarHBondContact O-N 2.83Å; A282-N284 PolarHBondContact O-N 3.23Å | ||
| 283 | F | 40.7 | Very low | 42.3 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | trans | -59.7 | 96.8 | 167.2 | -126.6 | -96.7 | 0 | 0 | 0 | 108.5 | E281 | E281-F283 PolarHBondContact O-N 3.47Å; E281-F283 VanDerWaalsContact O-N 3.12Å | ||
| 284 | N | 41 | Very low | 41.9 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 58% | 0.583 | 79% | 0.788 | S | S | * | * | trans | -94.6 | 114.7 | 177 | -173.8 | -0.4 | 0 | 0 | 0 | 109 | A282 N286 | A282-N284 PolarHBondContact O-N 3.23Å; N284-N286 PolarHBondContact ND2-ND2 2.85Å; N284-N286 PolarHBondContact O-N 2.96Å; N284-N286 PolarHBondContact OD1-N 3.44Å; N284-N286 PolarHBondContact OD1-ND2 3.22Å; N284-N286 PolarHBondContact OD1-OD1 3.42Å; N284-N286 VanDerWaalsContact OD1-OD1 3.14Å | ||
| 285 | W | 42.5 | Very low | 41.3 | Very low | 219 Ų | 219 | 146.5 Ų | 146.5 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | trans | -77.8 | 38.6 | 176.1 | -74.4 | 91.3 | 0 | 0 | 0 | 112.7 | I287 | W285-I287 PolarHBondContact O-N 3.45Š| ||
| 286 | N | 38.5 | Very low | 40.9 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 64% | 0.642 | 80% | 0.797 | S | S | * | * | trans | -75.5 | 97.8 | 175.1 | -83.6 | -4.8 | 0 | 0 | 0 | 109.4 | N284 V288 | N284-N286 PolarHBondContact ND2-ND2 2.85Å; N284-N286 PolarHBondContact O-N 2.96Å; N284-N286 PolarHBondContact OD1-N 3.44Å; N284-N286 PolarHBondContact OD1-ND2 3.22Å; N284-N286 PolarHBondContact OD1-OD1 3.42Å; N284-N286 VanDerWaalsContact OD1-OD1 3.14Å; N286-V288 PolarHBondContact O-N 3.48Å; N286-V288 VanDerWaalsContact O-N 3.1Å | ||
| 287 | I | 37.7 | Very low | 40.8 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -50.2 | 109.1 | 153.7 | -77.7 | 165.2 | 0 | 0 | 0 | 107 | W285 E289 | W285-I287 PolarHBondContact O-N 3.45Å; I287-E289 PolarHBondContact O-N 2.78Å | ||
| 288 | V | 37.3 | Very low | 40.7 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 70% | 0.697 | 78% | 0.782 | S | S | * | * | trans | -72.8 | 105.8 | 169 | 165.4 | 0 | 0 | 0 | 0 | 106.9 | N286 S290 | N286-V288 PolarHBondContact O-N 3.48Å; N286-V288 VanDerWaalsContact O-N 3.1Å; V288-S290 VanDerWaalsContact CG1-OG 3.23Å; V288-S290 WeakPolarHBondContact CG1-OG 3.32Å; V288-S290 PolarHBondContact O-N 3.14Å | ||
| 289 | E | 41.8 | Very low | 40.1 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | -65.7 | 114.2 | 153.9 | -70.4 | 179.7 | 164.3 | 0 | 0 | 107.3 | I287 | I287-E289 PolarHBondContact O-N 2.78Š| ||
| 290 | S | 43 | Very low | 39.9 | Very low | 104 Ų | 104 | 141.2 Ų | 141.2 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -147.4 | 91.8 | 165.3 | -72.1 | 0 | 0 | 0 | 0 | 107.3 | V288 | V288-S290 VanDerWaalsContact CG1-OG 3.23Å; V288-S290 WeakPolarHBondContact CG1-OG 3.32Å; V288-S290 PolarHBondContact O-N 3.14Å | ||
| 291 | E | 41.7 | Very low | 39.8 | Very low | 189 Ų | 189 | 144.1 Ų | 144.1 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -106.6 | 141.9 | 168 | -79.7 | -168.4 | 153.4 | 0 | 0 | 110.9 | ||||
| 292 | S | 36.4 | Very low | 39.8 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | 79.3 | 127.9 | 177.8 | 93.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 293 | P | 34.1 | Very low | 39.8 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | cis | -138.5 | 173.5 | 48.5 | 36.6 | -17.5 | 0 | 0 | 0 | 115.6 | ||||
| 294 | A | 33.6 | Very low | 40.4 | Very low | 94 Ų | 94 | 144 Ų | 144 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | trans | 103.5 | 111.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 295 | Q | 34.1 | Very low | 40.7 | Very low | 201 Ų | 201 | 142.5 Ų | 142.5 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | trans | -141.9 | 116 | 134.2 | -74.6 | -160 | -55.8 | 0 | 0 | 108.7 | ||||
| 296 | A | 36.9 | Very low | 41.3 | Very low | 87 Ų | 87 | 137.9 Ų | 137.9 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | -165.9 | 128.6 | 124.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 297 | Q | 40.1 | Very low | 42.5 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | 79.5 | 136.3 | 164 | -47.8 | -170.4 | -71.2 | 0 | 0 | 116.8 | ||||
| 298 | E | 40.9 | Very low | 44 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 66% | 0.659 | 80% | 0.798 | S | S | * | * | cis | -171.4 | 133.4 | -13.3 | -110.3 | 154.6 | -137.1 | 0 | 0 | 103.5 | ||||
| 299 | D | 41.8 | Very low | 45.4 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | trans | 67.2 | 152.1 | 149.5 | -52.2 | -32.5 | 0 | 0 | 0 | 123.7 | ||||
| 300 | E | 41.8 | Very low | 47 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 95.7 | 80.4 | 166.1 | -56.1 | -72.4 | 145.8 | 0 | 0 | 119.3 | ||||
| 301 | V | 42.6 | Very low | 48.1 | Very low | 136 Ų | 136 | 145 Ų | 145 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | 22.1 | 115.2 | 132.9 | -176.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 302 | S | 43.4 | Very low | 49.9 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -155.4 | 137.9 | 136.2 | 52.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 303 | K | 46.1 | Very low | 52.1 | Low | 214 Ų | 214 | 149.8 Ų | 149.8 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | trans | -94.2 | 103.2 | -163.5 | -163.7 | -179.8 | -171.4 | 179.5 | 0 | 109 | ||||
| 304 | V | 52.5 | Low | 54.4 | Low | 125 Ų | 125 | 149.3 Ų | 149.3 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | trans | -108.3 | 116.2 | 175.3 | 174.2 | 0 | 0 | 0 | 0 | 109.2 | T306 | V304-T306 PolarHBondContact O-N 3.48Š| ||
| 305 | G | 48.6 | Very low | 56.9 | Low | 77 Ų | 77 | 148.3 Ų | 148.3 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -68.3 | 114.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 306 | T | 54.4 | Low | 59.4 | Low | 122 Ų | 122 | 147.1 Ų | 147.1 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | -86.9 | 121.8 | 172.8 | 46.9 | 0 | 0 | 0 | 0 | 109.7 | V304 K308 | V304-T306 PolarHBondContact O-N 3.48Å; T306-K308 PolarHBondContact O-N 2.86Å | ||
| 307 | K | 64.5 | Low | 61.9 | Low | 195 Ų | 195 | 150.1 Ų | 150.1 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | trans | -56.7 | 121.4 | 167.4 | -68.2 | 175.7 | 179.6 | 175.6 | 0 | 107.6 | D309 | K307-D309 VanDerWaalsContact C-N 3.29Å; K307-D309 PolarHBondContact O-N 2.86Å | ||
| 308 | K | 68.4 | Low | 64.1 | Low | 197 Ų | 197 | 148.3 Ų | 148.3 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | trans | -74.9 | 84 | 177 | -64.9 | 174.4 | -176.6 | 170.2 | 0 | 108.3 | T306 I310 | T306-K308 PolarHBondContact O-N 2.86Å; K308-I310 PolarHBondContact O-N 2.81Å | ||
| 309 | D | 67.2 | Low | 66.1 | Low | 118 Ų | 118 | 144.4 Ų | 144.4 | 63% | 0.631 | 73% | 0.731 | S | S | * | * | trans | -62.6 | 119.4 | 161.8 | -77.3 | -20.8 | 0 | 0 | 0 | 107.3 | K307 F311 | K307-D309 VanDerWaalsContact C-N 3.29Å; K307-D309 PolarHBondContact O-N 2.86Å; D309-F311 HydrophobicContact CB-CD2 3.39Å; D309-F311 HydrophobicContact CB-CE2 3.28Å; D309-F311 HydrophobicContact CB-CG 4.49Å; D309-F311 HydrophobicContact CB-CZ 4.3Å; D309-F311 PolarHBondContact O-N 3.39Å; D309-F311 WeakPolarHBondContact OD2-CE2 3.49Å | ||
| 310 | I | 74.8 | Confident | 68.1 | Low | 156 Ų | 156 | 143.1 Ų | 143.1 | 80% | 0.8 | 72% | 0.723 | S | S | * | * | trans | -74.5 | 70.6 | 176.5 | -51.4 | 169.6 | 0 | 0 | 0 | 107.3 | K308 L312 | K308-I310 PolarHBondContact O-N 2.81Å; I310-L312 PolarHBondContact O-N 3.39Å | ||
| 311 | F | 66.3 | Low | 70.2 | Confident | 161 Ų | 161 | 139.4 Ų | 139.4 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | trans | -79.5 | 104.5 | 164.9 | -72.9 | -72.9 | 0 | 0 | 0 | 107.5 | D309 R313 | D309-F311 HydrophobicContact CB-CD2 3.39Å; D309-F311 HydrophobicContact CB-CE2 3.28Å; D309-F311 HydrophobicContact CB-CG 4.49Å; D309-F311 HydrophobicContact CB-CZ 4.3Å; D309-F311 PolarHBondContact O-N 3.39Å; D309-F311 WeakPolarHBondContact OD2-CE2 3.49Å; F311-R313 PolarHBondContact O-N 2.84Å | ||
| 312 | L | 79.9 | Confident | 72.2 | Confident | 172 Ų | 172 | 135.6 Ų | 135.6 | 90% | 0.901 | 70% | 0.695 | S | S | * | * | trans | -68.8 | 79.3 | 164.2 | -70.8 | 166.6 | 0 | 0 | 0 | 108.3 | I310 | I310-L312 PolarHBondContact O-N 3.39Š| ||
| 313 | R | 81 | Confident | 73.9 | Confident | 233 Ų | 233 | 138 Ų | 138 | 88% | 0.879 | 69% | 0.688 | S | S | * | * | trans | -83 | 111.3 | 163.1 | -100.1 | 175.3 | 79.7 | -179.1 | 3.9 | 107.7 | F311 N315 | F311-R313 PolarHBondContact O-N 2.84Å; R313-N315 PolarHBondContact O-N 3.35Å | ||
| 314 | L | 83.1 | Confident | 75.4 | Confident | 115 Ų | 115 | 131.9 Ų | 131.9 | 60% | 0.602 | 68% | 0.677 | S | S | * | * | trans | -66.5 | 121.4 | 167.5 | -152.7 | 89 | 0 | 0 | 0 | 107.5 | Y316 V319 | L314-Y316 WeakPolarHBondContact O-CD2 3.44Å; L314-Y316 PolarHBondContact O-N 3.01Å; L314-V319 HydrophobicContact CD2-CG2 3.81Å; L314-V319 HydrophobicContact CG-CG2 4.02Å | ||
| 315 | N | 86.2 | Confident | 76.4 | Confident | 73 Ų | 73 | 130.6 Ų | 130.6 | 39% | 0.39 | 67% | 0.673 | S | S | . | * | trans | -74.1 | 97.5 | 173.4 | -171.8 | -11.1 | 0 | 0 | 0 | 108.6 | R313 E317 E318 V319 | R313-N315 PolarHBondContact O-N 3.35Å; N315-E317 PolarHBondContact O-N 3.08Å; N315-E317 PolarHBondContact OD1-N 3.38Å; N315-E318 HydrophobicContact CB-CB 4.07Å; N315-E318 HydrophobicContact CB-CG 4.23Å; N315-E318 VanDerWaalsContact ND2-CD 3.33Å; N315-E318 WeakPolarHBondContact ND2-CG 3.32Å; N315-E318 PolarHBondContact ND2-OE1 3.17Å; N315-E318 PolarHBondContact O-N 3.38Å; N315-V319 WeakPolarHBondContact O-CG2 3.39Å; N315-V319 PolarHBondContact O-N 3.3Å; N315-V319 VanDerWaalsContact O-N 3.1Å | ||
| 316 | Y | 87.7 | Confident | 77.3 | Confident | 176 Ų | 176 | 133.6 Ų | 133.6 | 69% | 0.69 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -55.9 | -36.1 | -178.1 | -64.5 | -83.9 | 0 | 0 | 0 | 112.1 | L314 V319 I320 | L314-Y316 WeakPolarHBondContact O-CD2 3.44Å; L314-Y316 PolarHBondContact O-N 3.01Å; Y316-V319 PolarHBondContact O-N 3.07Å; Y316-I320 WeakPolarHBondContact O-CB 3.38Å; Y316-I320 WeakPolarHBondContact O-CD1 3.41Å; Y316-I320 WeakPolarHBondContact O-CG1 3.48Å; Y316-I320 PolarHBondContact O-N 3.31Å |
| 317 | E | 88.6 | Confident | 78 | Confident | 150 Ų | 150 | 131 Ų | 131 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -68.5 | -41.1 | -179.6 | -60.1 | -168.7 | 175.7 | 0 | 0 | 112.2 | N315 I320 T321 | N315-E317 PolarHBondContact O-N 3.08Å; N315-E317 PolarHBondContact OD1-N 3.38Å; E317-I320 PolarHBondContact O-N 2.97Å; E317-T321 WeakPolarHBondContact O-CB 3.09Å; E317-T321 VanDerWaalsContact O-CG2 3.27Å; E317-T321 WeakPolarHBondContact O-CG2 3.08Å; E317-T321 PolarHBondContact O-N 3.06Å; E317-T321 PolarHBondContact O-OG1 3.41Å |
| 318 | E | 86.2 | Confident | 78.2 | Confident | 126 Ų | 126 | 123.7 Ų | 123.7 | 59% | 0.589 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65 | -41 | 174.4 | -79.9 | 175.5 | -147.9 | 0 | 0 | 111.8 | N315 T321 A322 | N315-E318 HydrophobicContact CB-CB 4.07Å; N315-E318 HydrophobicContact CB-CG 4.23Å; N315-E318 VanDerWaalsContact ND2-CD 3.33Å; N315-E318 WeakPolarHBondContact ND2-CG 3.32Å; N315-E318 PolarHBondContact ND2-OE1 3.17Å; N315-E318 PolarHBondContact O-N 3.38Å; E318-T321 WeakPolarHBondContact CA-OG1 3.34Å; E318-T321 PolarHBondContact O-N 2.88Å; E318-T321 PolarHBondContact O-OG1 3.05Å; E318-A322 VanDerWaalsContact O-CB 3.23Å; E318-A322 WeakPolarHBondContact O-CB 3.49Å; E318-A322 PolarHBondContact O-N 3.27Å |
| 319 | V | 83.4 | Confident | 78 | Confident | 59 Ų | 59 | 118.4 Ų | 118.4 | 36% | 0.358 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.6 | -44.7 | 176.6 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | L314 N315 Y316 W323 | L314-V319 HydrophobicContact CD2-CG2 3.81Å; L314-V319 HydrophobicContact CG-CG2 4.02Å; N315-V319 WeakPolarHBondContact O-CG2 3.39Å; N315-V319 PolarHBondContact O-N 3.3Å; N315-V319 VanDerWaalsContact O-N 3.1Å; Y316-V319 PolarHBondContact O-N 3.07Å; V319-W323 VanDerWaalsContact O-CB 3.31Å; V319-W323 WeakPolarHBondContact O-CB 3.35Å; V319-W323 PolarHBondContact O-N 3.03Å |
| 320 | I | 82.7 | Confident | 78 | Confident | 115 Ų | 115 | 118.3 Ų | 118.3 | 59% | 0.59 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65 | -44.4 | 178.6 | -69.5 | 164.8 | 0 | 0 | 0 | 111 | Y316 E317 W323 A324 | Y316-I320 WeakPolarHBondContact O-CB 3.38Å; Y316-I320 WeakPolarHBondContact O-CD1 3.41Å; Y316-I320 WeakPolarHBondContact O-CG1 3.48Å; Y316-I320 PolarHBondContact O-N 3.31Å; E317-I320 PolarHBondContact O-N 2.97Å; I320-W323 PolarHBondContact O-N 2.84Å; I320-A324 WeakPolarHBondContact O-CB 3.21Å; I320-A324 PolarHBondContact O-N 3.22Å |
| 321 | T | 86.3 | Confident | 77.7 | Confident | 97 Ų | 97 | 117.7 Ų | 117.7 | 60% | 0.595 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.9 | -39.5 | 179.6 | 50.7 | 0 | 0 | 0 | 0 | 112.5 | E317 E318 A324 | E317-T321 WeakPolarHBondContact O-CB 3.09Å; E317-T321 VanDerWaalsContact O-CG2 3.27Å; E317-T321 WeakPolarHBondContact O-CG2 3.08Å; E317-T321 PolarHBondContact O-N 3.06Å; E317-T321 PolarHBondContact O-OG1 3.41Å; E318-T321 WeakPolarHBondContact CA-OG1 3.34Å; E318-T321 PolarHBondContact O-N 2.88Å; E318-T321 PolarHBondContact O-OG1 3.05Å; T321-A324 PolarHBondContact O-N 2.87Å |
| 322 | A | 84.1 | Confident | 77.8 | Confident | 56 Ų | 56 | 116.5 Ų | 116.5 | 46% | 0.463 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.9 | -42.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E318 S325 | E318-A322 VanDerWaalsContact O-CB 3.23Å; E318-A322 WeakPolarHBondContact O-CB 3.49Å; E318-A322 PolarHBondContact O-N 3.27Å; A322-S325 PolarHBondContact O-OG 2.94Å |
| 323 | W | 80.6 | Confident | 77.2 | Confident | 161 Ų | 161 | 110.7 Ų | 110.7 | 61% | 0.61 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.5 | -26.2 | 176.8 | -86.3 | 37.3 | 0 | 0 | 0 | 113.5 | V319 I320 S325 Q326 P329 | V319-W323 VanDerWaalsContact O-CB 3.31Å; V319-W323 WeakPolarHBondContact O-CB 3.35Å; V319-W323 PolarHBondContact O-N 3.03Å; I320-W323 PolarHBondContact O-N 2.84Å; W323-S325 PolarHBondContact O-N 3.24Å; W323-S325 VanDerWaalsContact O-N 3.13Å; W323-Q326 CarbonylContact O-C 3.56Å; W323-Q326 PolarHBondContact O-N 3.46Å; W323-P329 HydrophobicContact CE3-CB 4.4Å; W323-P329 HydrophobicContact CE3-CG 3.56Å; W323-P329 HydrophobicContact CH2-CB 4.26Å; W323-P329 HydrophobicContact CH2-CG 4.26Å; W323-P329 HydrophobicContact CZ3-CB 3.76Å; W323-P329 HydrophobicContact CZ3-CG 3.32Å |
| 324 | A | 76.5 | Confident | 76.3 | Confident | 85 Ų | 85 | 104.5 Ų | 104.5 | 70% | 0.702 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60 | -26.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I320 T321 | I320-A324 WeakPolarHBondContact O-CB 3.21Å; I320-A324 PolarHBondContact O-N 3.22Å; T321-A324 PolarHBondContact O-N 2.87Å |
| 325 | S | 74.1 | Confident | 75.6 | Confident | 98 Ų | 98 | 102.8 Ų | 102.8 | 69% | 0.685 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -83.6 | -23.4 | 175.3 | 71.8 | 0 | 0 | 0 | 0 | 114 | A322 W323 G327 | A322-S325 PolarHBondContact O-OG 2.94Å; W323-S325 PolarHBondContact O-N 3.24Å; W323-S325 VanDerWaalsContact O-N 3.13Å; S325-G327 PolarHBondContact O-N 3.1Å |
| 326 | Q | 66.9 | Low | 74.5 | Confident | 141 Ų | 141 | 102 Ų | 102 | 66% | 0.659 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -92.9 | 98.7 | 178.2 | -63.5 | -77.8 | -8.9 | 0 | 0 | 106.5 | W323 | W323-Q326 CarbonylContact O-C 3.56Å; W323-Q326 PolarHBondContact O-N 3.46Å |
| 327 | G | 69.4 | Low | 73.3 | Confident | 67 Ų | 67 | 102.5 Ų | 102.5 | 69% | 0.691 | 59% | 0.589 | S | S | * | * | trans | -44.3 | 150.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | S325 | S325-G327 PolarHBondContact O-N 3.1Š| ||
| 328 | S | 69.2 | Low | 71.4 | Confident | 42 Ų | 42 | 101.4 Ų | 101.4 | 29% | 0.294 | 58% | 0.582 | S | S | . | * | trans | -3 | 113.9 | 179.1 | -166.2 | 0 | 0 | 0 | 0 | 114.7 | W330 G333 | S328-W330 PolarHBondContact O-N 3.25Å; S328-G333 VanDerWaalsContact CB-O 3.3Å; S328-G333 WeakPolarHBondContact CB-O 3.3Å; S328-G333 PolarHBondContact OG-O 2.91Å | ||
| 329 | P | 64.7 | Low | 69.4 | Low | 85 Ų | 85 | 104.4 Ų | 104.4 | 55% | 0.552 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -56 | -11.3 | -177.4 | -24.4 | 32.3 | 0 | 0 | 0 | 114.9 | W323 | W323-P329 HydrophobicContact CE3-CB 4.4Å; W323-P329 HydrophobicContact CE3-CG 3.56Å; W323-P329 HydrophobicContact CH2-CB 4.26Å; W323-P329 HydrophobicContact CH2-CG 4.26Å; W323-P329 HydrophobicContact CZ3-CB 3.76Å; W323-P329 HydrophobicContact CZ3-CG 3.32Å |
| 330 | W | 67.4 | Low | 67.8 | Low | 116 Ų | 116 | 109.1 Ų | 109.1 | 44% | 0.439 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -89 | 128.6 | -178.7 | -49.9 | 98.1 | 0 | 0 | 0 | 109.8 | S328 N332 G333 P336 F338 | S328-W330 PolarHBondContact O-N 3.25Å; W330-N332 PolarHBondContact O-N 3.37Å; W330-G333 PolarHBondContact O-N 2.97Å; W330-P336 VanDerWaalsContact CD2-CD 3.46Å; W330-P336 HydrophobicContact CD2-CG 4.21Å; W330-P336 HydrophobicContact CE3-CG 3.99Å; W330-P336 HydrophobicContact CH2-CG 3.75Å; W330-P336 VanDerWaalsContact CZ2-CD 3.45Å; W330-P336 HydrophobicContact CZ2-CG 3.98Å; W330-P336 HydrophobicContact CZ3-CG 3.76Å; W330-F338 HydrophobicContact CH2-CE2 4.44Å |
| 331 | T | 67.4 | Low | 65.9 | Low | 144 Ų | 144 | 108.2 Ų | 108.2 | 88% | 0.883 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -18.8 | -178.2 | 55.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 332 | N | 69.5 | Low | 64.2 | Low | 136 Ų | 136 | 110.6 Ų | 110.6 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 8.2 | -178.1 | -69.4 | 10.7 | 0 | 0 | 0 | 113.7 | W330 T334 | W330-N332 PolarHBondContact O-N 3.37Å; N332-T334 PolarHBondContact O-N 3.47Å |
| 333 | G | 66.3 | Low | 62.3 | Low | 49 Ų | 49 | 115.7 Ų | 115.7 | 51% | 0.505 | 65% | 0.649 | S | S | . | * | S | Bend | trans | 75.5 | -19.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | S328 W330 | S328-G333 VanDerWaalsContact CB-O 3.3Å; S328-G333 WeakPolarHBondContact CB-O 3.3Å; S328-G333 PolarHBondContact OG-O 2.91Å; W330-G333 PolarHBondContact O-N 2.97Å |
| 334 | T | 61.1 | Low | 60.6 | Low | 103 Ų | 103 | 113.8 Ų | 113.8 | 63% | 0.632 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -103.9 | 123.7 | 177.4 | 34.5 | 0 | 0 | 0 | 0 | 111.9 | N332 | N332-T334 PolarHBondContact O-N 3.47Š|
| 335 | P | 69.5 | Low | 58.9 | Low | 80 Ų | 80 | 118.5 Ų | 118.5 | 52% | 0.519 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 142.2 | 165.8 | -19.5 | 31.1 | 0 | 0 | 0 | 111 | K337 | P335-K337 PolarHBondContact O-N 3.49Š|
| 336 | P | 63.8 | Low | 57.4 | Low | 57 Ų | 57 | 121 Ų | 121 | 37% | 0.37 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 130.9 | 167.1 | -14.7 | 25.8 | 0 | 0 | 0 | 108.1 | W330 F338 | W330-P336 VanDerWaalsContact CD2-CD 3.46Å; W330-P336 HydrophobicContact CD2-CG 4.21Å; W330-P336 HydrophobicContact CE3-CG 3.99Å; W330-P336 HydrophobicContact CH2-CG 3.75Å; W330-P336 VanDerWaalsContact CZ2-CD 3.45Å; W330-P336 HydrophobicContact CZ2-CG 3.98Å; W330-P336 HydrophobicContact CZ3-CG 3.76Å; P336-F338 HydrophobicContact CB-CD2 4.1Å; P336-F338 HydrophobicContact CB-CE2 3.7Å; P336-F338 HydrophobicContact CB-CZ 4.08Å; P336-F338 HydrophobicContact CG-CE2 3.8Å; P336-F338 HydrophobicContact CG-CZ 4.21Å; P336-F338 WeakPolarHBondContact O-CD2 3.18Å; P336-F338 PolarHBondContact O-N 3.48Å |
| 337 | K | 62.6 | Low | 56.3 | Low | 186 Ų | 186 | 120.9 Ų | 120.9 | 81% | 0.809 | 67% | 0.668 | S | S | * | * | trans | -68.2 | 87.3 | 170.1 | -66.6 | 177.5 | -177.4 | 175.2 | 0 | 107.2 | P335 F339 | P335-K337 PolarHBondContact O-N 3.49Å; K337-F339 PolarHBondContact O-N 2.91Å; K337-F339 VanDerWaalsContact O-N 3.15Å | ||
| 338 | F | 48.4 | Very low | 55.2 | Low | 127 Ų | 127 | 127 Ų | 127 | 56% | 0.557 | 68% | 0.676 | S | S | * | * | trans | -70.1 | 107.6 | 165.7 | -70.8 | -76 | 0 | 0 | 0 | 106.5 | W330 P336 N340 W345 | W330-F338 HydrophobicContact CH2-CE2 4.44Å; P336-F338 HydrophobicContact CB-CD2 4.1Å; P336-F338 HydrophobicContact CB-CE2 3.7Å; P336-F338 HydrophobicContact CB-CZ 4.08Å; P336-F338 HydrophobicContact CG-CE2 3.8Å; P336-F338 HydrophobicContact CG-CZ 4.21Å; P336-F338 WeakPolarHBondContact O-CD2 3.18Å; P336-F338 PolarHBondContact O-N 3.48Å; F338-N340 PolarHBondContact O-N 3Å; F338-W345 AromaticContact CE1-CH2 3.93Å; F338-W345 HydrophobicContact CE1-CH2 3.93Å; F338-W345 HydrophobicContact CE1-CZ2 4.04Å; F338-W345 HydrophobicContact CE1-CZ3 4.5Å; F338-W345 HydrophobicContact CZ-CH2 4.05Å; F338-W345 HydrophobicContact CZ-CZ2 4.38Å | ||
| 339 | F | 43.5 | Very low | 54.4 | Low | 189 Ų | 189 | 132.4 Ų | 132.4 | 83% | 0.829 | 70% | 0.7 | S | S | * | * | trans | -61.4 | 130.4 | 172.4 | -76.9 | -90.1 | 0 | 0 | 0 | 108.5 | K337 | K337-F339 PolarHBondContact O-N 2.91Å; K337-F339 VanDerWaalsContact O-N 3.15Å | ||
| 340 | N | 48.9 | Very low | 53.4 | Low | 158 Ų | 158 | 131.9 Ų | 131.9 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -59.7 | 144.7 | 171.9 | -74.3 | -48.2 | 0 | 0 | 0 | 110.7 | F338 | F338-N340 PolarHBondContact O-N 3Š|
| 341 | S | 44.6 | Very low | 52.3 | Low | 95 Ų | 95 | 131.6 Ų | 131.6 | 66% | 0.664 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 70 | 113 | 164.1 | -124.4 | 0 | 0 | 0 | 0 | 117.2 | D343 | S341-D343 PolarHBondContact O-N 3.44Š|
| 342 | D | 49 | Very low | 51 | Low | 148 Ų | 148 | 132.7 Ų | 132.7 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 81.1 | -4.3 | 147.9 | -49 | -41.9 | 0 | 0 | 0 | 121.1 | ||
| 343 | D | 45 | Very low | 49.3 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | trans | -111.9 | 76.6 | 170.3 | -68.9 | -40.8 | 0 | 0 | 0 | 112.2 | S341 W345 | S341-D343 PolarHBondContact O-N 3.44Å; D343-W345 PolarHBondContact O-N 3.23Å; D343-W345 VanDerWaalsContact O-N 3.09Å | ||
| 344 | C | 43.9 | Very low | 48 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | trans | -72.1 | 96.4 | -178.9 | -166.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 345 | W | 40.8 | Very low | 46.8 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 70% | 0.697 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 67.5 | 62.4 | 159.8 | -65.3 | 87.8 | 0 | 0 | 0 | 119 | F338 D343 F348 | F338-W345 AromaticContact CE1-CH2 3.93Å; F338-W345 HydrophobicContact CE1-CH2 3.93Å; F338-W345 HydrophobicContact CE1-CZ2 4.04Å; F338-W345 HydrophobicContact CE1-CZ3 4.5Å; F338-W345 HydrophobicContact CZ-CH2 4.05Å; F338-W345 HydrophobicContact CZ-CZ2 4.38Å; D343-W345 PolarHBondContact O-N 3.23Å; D343-W345 VanDerWaalsContact O-N 3.09Å; W345-F348 HydrophobicContact CZ3-CE2 4.21Å |
| 346 | L | 42.9 | Very low | 45.9 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -130.7 | 97.1 | 160.4 | -167.7 | 67.7 | 0 | 0 | 0 | 109.1 | ||||
| 347 | D | 45.1 | Very low | 44.8 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | 166.7 | 76.2 | 154.9 | -83 | -19.3 | 0 | 0 | 0 | 111.6 | ||||
| 348 | F | 46.2 | Very low | 43.9 | Very low | 196 Ų | 196 | 138.2 Ų | 138.2 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -107.4 | 25.7 | 156.9 | -104.7 | -87.3 | 0 | 0 | 0 | 111.1 | W345 G350 | W345-F348 HydrophobicContact CZ3-CE2 4.21Å; F348-G350 PolarHBondContact O-N 3.26Å; F348-G350 VanDerWaalsContact O-N 3.1Å | ||
| 349 | L | 51.9 | Low | 43.3 | Very low | 155 Ų | 155 | 136.3 Ų | 136.3 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -82.4 | 81.9 | 174.2 | -84 | 146.6 | 0 | 0 | 0 | 110.1 | ||||
| 350 | G | 43 | Very low | 43.4 | Very low | 73 Ų | 73 | 136.8 Ų | 136.8 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | -104.9 | 96.1 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | F348 | F348-G350 PolarHBondContact O-N 3.26Å; F348-G350 VanDerWaalsContact O-N 3.1Å | ||
| 351 | S | 44.8 | Very low | 43 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -37.9 | 132.6 | 173 | -67.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 352 | N | 40 | Very low | 42.6 | Very low | 167 Ų | 167 | 132.9 Ų | 132.9 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | -155.4 | 129.9 | 127.7 | -116.1 | 16.9 | 0 | 0 | 0 | 111 | |||||
| 353 | G | 33.7 | Very low | 42.1 | Very low | 88 Ų | 88 | 132.9 Ų | 132.9 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | trans | -61.9 | 138.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 354 | G | 38.4 | Very low | 41.5 | Very low | 69 Ų | 69 | 128.8 Ų | 128.8 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -176.8 | 98.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110 | V356 | G354-V356 PolarHBondContact O-N 3.1Å; G354-V356 VanDerWaalsContact O-N 3.07Å | ||
| 355 | N | 36.9 | Very low | 41.5 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -55.2 | 101.4 | -178.3 | -171.1 | 6.1 | 0 | 0 | 0 | 112 | ||||
| 356 | V | 50.1 | Low | 41.5 | Very low | 135 Ų | 135 | 127 Ų | 127 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -124.2 | 93.5 | 168.8 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | G354 C358 | G354-V356 PolarHBondContact O-N 3.1Å; G354-V356 VanDerWaalsContact O-N 3.07Å; V356-C358 PolarHBondContact O-N 3.38Å | ||
| 357 | Q | 42 | Very low | 41.6 | Very low | 151 Ų | 151 | 129 Ų | 129 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -53.4 | 106.2 | 167.8 | -171.7 | 98.8 | 11.1 | 0 | 0 | 110.8 | C359 | Q357-C359 WeakPolarHBondContact CG-SG 3.47Å; Q357-C359 PolarHBondContact O-N 3.03Å | ||
| 358 | C | 42.5 | Very low | 41.5 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | trans | -89.6 | 93.7 | 167.6 | -169 | 0 | 0 | 0 | 0 | 109.1 | V356 | V356-C358 PolarHBondContact O-N 3.38Š| ||
| 359 | C | 35.3 | Very low | 41.6 | Very low | 86 Ų | 86 | 126.9 Ų | 126.9 | 58% | 0.581 | 79% | 0.788 | S | S | * | * | trans | -86.8 | 107.2 | 170.7 | -70.1 | 0 | 0 | 0 | 0 | 109.5 | Q357 | Q357-C359 WeakPolarHBondContact CG-SG 3.47Å; Q357-C359 PolarHBondContact O-N 3.03Å | ||
| 360 | Y | 47 | Very low | 41.6 | Very low | 199 Ų | 199 | 124.6 Ų | 124.6 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | -160.5 | 116.2 | 133.8 | -104.5 | -83.9 | 0 | 0 | 0 | 106.7 | ||||
| 361 | G | 39.7 | Very low | 42.4 | Very low | 80 Ų | 80 | 124.8 Ų | 124.8 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -60.6 | 158.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 362 | A | 37.4 | Very low | 43.8 | Very low | 91 Ų | 91 | 121.8 Ų | 121.8 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | cis | -150 | 135.7 | 29.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 363 | V | 37.7 | Very low | 46 | Very low | 148 Ų | 148 | 115.9 Ų | 115.9 | 90% | 0.897 | 74% | 0.741 | S | S | * | * | trans | 43.4 | 104.9 | 133.7 | -166.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 364 | G | 33.1 | Very low | 48.7 | Very low | 77 Ų | 77 | 119.9 Ų | 119.9 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | 93.4 | 85.2 | 143.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 365 | S | 43 | Very low | 51.1 | Low | 90 Ų | 90 | 120.8 Ų | 120.8 | 63% | 0.629 | 71% | 0.714 | S | S | * | * | -171.7 | 81.3 | 118.7 | -149.3 | 0 | 0 | 0 | 0 | 110.1 | R367 | S365-R367 PolarHBondContact O-N 2.92Š| |||
| 366 | L | 41.5 | Very low | 53.6 | Low | 177 Ų | 177 | 115.8 Ų | 115.8 | 93% | 0.927 | 69% | 0.694 | S | S | * | * | trans | -70.6 | 81.5 | 149.9 | 176.3 | 71 | 0 | 0 | 0 | 106.3 | ||||
| 367 | R | 45.2 | Very low | 55.7 | Low | 194 Ų | 194 | 117.8 Ų | 117.8 | 73% | 0.732 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -152.1 | 133.8 | 164.3 | -68.3 | -164.8 | -172.8 | -148.9 | -0.2 | 109.1 | S365 H369 | S365-R367 PolarHBondContact O-N 2.92Å; R367-H369 PolarHBondContact O-N 3.4Å |
| 368 | V | 42.5 | Very low | 58.2 | Low | 152 Ų | 152 | 113.3 Ų | 113.3 | 92% | 0.921 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -46 | 83.6 | 158.4 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | ||
| 369 | H | 47.9 | Very low | 60.6 | Low | 137 Ų | 137 | 110.4 Ų | 110.4 | 63% | 0.634 | 65% | 0.651 | S | S | * | * | trans | -137.9 | 30.6 | 175.4 | -86.1 | -61.2 | 0 | 0 | 0 | 110.6 | R367 D371 | R367-H369 PolarHBondContact O-N 3.4Å; H369-D371 PolarHBondContact O-N 3.19Å | ||
| 370 | A | 51.4 | Low | 63.5 | Low | 108 Ų | 108 | 115.2 Ų | 115.2 | 89% | 0.893 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 17.3 | -159.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 371 | D | 60.6 | Low | 65.8 | Low | 77 Ų | 77 | 111.2 Ų | 111.2 | 41% | 0.412 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -127.6 | -35.1 | 167.8 | -146.2 | -8.6 | 0 | 0 | 0 | 112.6 | H369 G373 R374 E375 | H369-D371 PolarHBondContact O-N 3.19Å; D371-G373 PolarHBondContact O-N 3Å; D371-R374 WeakPolarHBondContact O-CA 3.32Å; D371-R374 VanDerWaalsContact O-CB 3.3Å; D371-R374 WeakPolarHBondContact O-CB 3.41Å; D371-R374 PolarHBondContact O-N 3.16Å; D371-E375 VanDerWaalsContact CB-OE1 3.27Å; D371-E375 WeakPolarHBondContact CB-OE1 3.49Å; D371-E375 PolarHBondContact O-N 2.87Å; D371-E375 VanDerWaalsContact OD2-OE1 3.09Å |
| 372 | G | 73.7 | Confident | 68.5 | Low | 47 Ų | 47 | 115.4 Ų | 115.4 | 49% | 0.485 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -47.4 | -37.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | E375 A376 | G372-E375 WeakPolarHBondContact CA-OE2 3.49Å; G372-E375 PolarHBondContact N-OE2 3.19Å; G372-A376 WeakPolarHBondContact O-CB 3.44Å; G372-A376 PolarHBondContact O-N 3.22Å |
| 373 | G | 86.4 | Confident | 71.4 | Confident | 44 Ų | 44 | 116 Ų | 116 | 45% | 0.454 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -73.9 | -29.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D371 R377 | D371-G373 PolarHBondContact O-N 3Å; G373-R377 VanDerWaalsContact O-CG 3.26Å; G373-R377 WeakPolarHBondContact O-CG 3.31Å; G373-R377 PolarHBondContact O-N 3.17Å; G373-R377 PolarHBondContact O-NE 3.39Å |
| 374 | R | 89.9 | Confident | 74.2 | Confident | 172 Ų | 172 | 116.1 Ų | 116.1 | 65% | 0.649 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72 | -48.7 | 173.3 | 176.6 | -176.5 | -113 | -158.3 | -1.1 | 110 | D371 A376 R377 V378 | D371-R374 WeakPolarHBondContact O-CA 3.32Å; D371-R374 VanDerWaalsContact O-CB 3.3Å; D371-R374 WeakPolarHBondContact O-CB 3.41Å; D371-R374 PolarHBondContact O-N 3.16Å; R374-A376 VanDerWaalsContact C-N 3.34Å; R374-A376 PolarHBondContact O-N 3.37Å; R374-R377 WeakPolarHBondContact O-CB 3.27Å; R374-R377 PolarHBondContact O-N 2.81Å; R374-R377 VanDerWaalsContact O-N 3.07Å; R374-V378 HydrophobicContact CG-CG2 4.38Å; R374-V378 WeakPolarHBondContact O-CG2 3.44Å; R374-V378 PolarHBondContact O-N 2.87Å |
| 375 | E | 88.9 | Confident | 77.2 | Confident | 88 Ų | 88 | 119.3 Ų | 119.3 | 41% | 0.411 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.1 | -40.1 | -177.6 | -60.5 | 119 | 155.5 | 0 | 0 | 111.6 | D371 G372 R377 V378 S379 | D371-E375 VanDerWaalsContact CB-OE1 3.27Å; D371-E375 WeakPolarHBondContact CB-OE1 3.49Å; D371-E375 PolarHBondContact O-N 2.87Å; D371-E375 VanDerWaalsContact OD2-OE1 3.09Å; G372-E375 WeakPolarHBondContact CA-OE2 3.49Å; G372-E375 PolarHBondContact N-OE2 3.19Å; E375-R377 VanDerWaalsContact C-N 3.26Å; E375-R377 PolarHBondContact O-N 2.85Å; E375-V378 PolarHBondContact O-N 3.03Å; E375-V378 VanDerWaalsContact O-N 3.17Å; E375-S379 WeakPolarHBondContact O-CB 3.36Å; E375-S379 PolarHBondContact O-N 3.13Å; E375-S379 PolarHBondContact O-OG 3.17Å |
| 376 | A | 90.9 | Very high | 79.7 | Confident | 47 Ų | 47 | 123.9 Ų | 123.9 | 39% | 0.388 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -58.6 | -37.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G372 R374 R380 | G372-A376 WeakPolarHBondContact O-CB 3.44Å; G372-A376 PolarHBondContact O-N 3.22Å; R374-A376 VanDerWaalsContact C-N 3.34Å; R374-A376 PolarHBondContact O-N 3.37Å; A376-R380 WeakPolarHBondContact O-CG 3.23Å; A376-R380 PolarHBondContact O-N 3.29Å; A376-R380 VanDerWaalsContact O-N 3.14Å |
| 377 | R | 92.3 | Very high | 82.2 | Confident | 177 Ų | 177 | 120 Ų | 120 | 67% | 0.668 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.7 | -42.2 | 175.5 | -75.3 | 179.2 | -73.9 | -177.9 | -1.6 | 111.9 | G373 R374 E375 Y381 | G373-R377 VanDerWaalsContact O-CG 3.26Å; G373-R377 WeakPolarHBondContact O-CG 3.31Å; G373-R377 PolarHBondContact O-N 3.17Å; G373-R377 PolarHBondContact O-NE 3.39Å; R374-R377 WeakPolarHBondContact O-CB 3.27Å; R374-R377 PolarHBondContact O-N 2.81Å; R374-R377 VanDerWaalsContact O-N 3.07Å; E375-R377 VanDerWaalsContact C-N 3.26Å; E375-R377 PolarHBondContact O-N 2.85Å; R377-Y381 WeakPolarHBondContact O-CB 3.4Å; R377-Y381 PolarHBondContact O-N 2.91Å |
| 378 | V | 94.5 | Very high | 84.7 | Confident | 58 Ų | 58 | 115.9 Ų | 115.9 | 35% | 0.352 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.3 | -41.1 | 177.6 | 173.4 | 0 | 0 | 0 | 0 | 111 | R374 E375 Y381 R382 | R374-V378 HydrophobicContact CG-CG2 4.38Å; R374-V378 WeakPolarHBondContact O-CG2 3.44Å; R374-V378 PolarHBondContact O-N 2.87Å; E375-V378 PolarHBondContact O-N 3.03Å; E375-V378 VanDerWaalsContact O-N 3.17Å; V378-Y381 WeakPolarHBondContact O-CB 3.17Å; V378-Y381 PolarHBondContact O-N 2.93Å; V378-R382 HydrophobicContact CG1-CG 4.41Å; V378-R382 WeakPolarHBondContact O-CG 3.39Å; V378-R382 PolarHBondContact O-N 2.79Å |
| 379 | S | 93.2 | Very high | 87.1 | Confident | 69 Ų | 69 | 114.6 Ų | 114.6 | 48% | 0.483 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.6 | -48 | 175.8 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | E375 Y381 R382 E383 | E375-S379 WeakPolarHBondContact O-CB 3.36Å; E375-S379 PolarHBondContact O-N 3.13Å; E375-S379 PolarHBondContact O-OG 3.17Å; S379-Y381 VanDerWaalsContact C-N 3.27Å; S379-Y381 PolarHBondContact O-N 2.95Å; S379-R382 PolarHBondContact O-N 2.87Å; S379-E383 WeakPolarHBondContact O-CB 3.16Å; S379-E383 PolarHBondContact O-N 2.9Å |
| 380 | R | 96.1 | Very high | 89.3 | Confident | 188 Ų | 188 | 117 Ų | 117 | 71% | 0.709 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59.4 | -37.9 | 173 | -70.5 | -174.7 | -154.5 | -124.6 | 7.1 | 112.1 | A376 K384 | A376-R380 WeakPolarHBondContact O-CG 3.23Å; A376-R380 PolarHBondContact O-N 3.29Å; A376-R380 VanDerWaalsContact O-N 3.14Å; R380-K384 WeakPolarHBondContact O-CB 3.4Å; R380-K384 PolarHBondContact O-N 3.07Å |
| 381 | Y | 96.9 | Very high | 91.4 | Very high | 114 Ų | 114 | 115.7 Ų | 115.7 | 45% | 0.447 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.3 | -45.8 | 175.4 | 171.4 | -93.7 | 0 | 0 | 0 | 112.2 | R377 V378 S379 K384 R385 | R377-Y381 WeakPolarHBondContact O-CB 3.4Å; R377-Y381 PolarHBondContact O-N 2.91Å; V378-Y381 WeakPolarHBondContact O-CB 3.17Å; V378-Y381 PolarHBondContact O-N 2.93Å; S379-Y381 VanDerWaalsContact C-N 3.27Å; S379-Y381 PolarHBondContact O-N 2.95Å; Y381-K384 PolarHBondContact O-N 3.19Å; Y381-R385 WeakPolarHBondContact O-CB 3.4Å; Y381-R385 PolarHBondContact O-N 3.23Å; Y381-R385 PolarHBondContact OH-NH1 3.32Å |
| 382 | R | 96.4 | Very high | 93.1 | Very high | 168 Ų | 168 | 121.3 Ų | 121.3 | 63% | 0.634 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.1 | -44.7 | 177.7 | -72.3 | 176.1 | 180 | -177.7 | 0.8 | 111.1 | V378 S379 R385 R386 | V378-R382 HydrophobicContact CG1-CG 4.41Å; V378-R382 WeakPolarHBondContact O-CG 3.39Å; V378-R382 PolarHBondContact O-N 2.79Å; S379-R382 PolarHBondContact O-N 2.87Å; R382-R385 WeakPolarHBondContact O-CB 3.37Å; R382-R385 PolarHBondContact O-N 3.1Å; R382-R386 PolarHBondContact O-N 2.98Å |
| 383 | E | 96.4 | Very high | 94.1 | Very high | 105 Ų | 105 | 126.4 Ų | 126.4 | 49% | 0.491 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.9 | -44.7 | 175.2 | -179.4 | 169.7 | -149 | 0 | 0 | 112.8 | S379 R385 R386 T387 | S379-E383 WeakPolarHBondContact O-CB 3.16Å; S379-E383 PolarHBondContact O-N 2.9Å; E383-R385 PolarHBondContact O-N 2.99Å; E383-R386 PolarHBondContact O-N 3.49Å; E383-T387 PolarHBondContact O-N 3.02Å; E383-T387 VanDerWaalsContact O-N 3.16Å; E383-T387 PolarHBondContact O-OG1 2.96Å |
| 384 | K | 97.4 | Very high | 94.5 | Very high | 149 Ų | 149 | 127.5 Ų | 127.5 | 65% | 0.648 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.4 | -29.3 | 173.2 | -174.3 | 175 | -178.6 | 179.2 | 0 | 112.1 | R380 Y381 T387 R388 | R380-K384 WeakPolarHBondContact O-CB 3.4Å; R380-K384 PolarHBondContact O-N 3.07Å; Y381-K384 PolarHBondContact O-N 3.19Å; K384-T387 PolarHBondContact O-OG1 3.43Å; K384-R388 WeakPolarHBondContact O-CG 3.16Å |
| 385 | R | 96.5 | Very high | 94.8 | Very high | 145 Ų | 145 | 128.3 Ų | 128.3 | 55% | 0.547 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -73.4 | -39 | 175.6 | -168.3 | 174.1 | -177.6 | 112.6 | 2 | 111.8 | Y381 R382 E383 T387 R388 | Y381-R385 WeakPolarHBondContact O-CB 3.4Å; Y381-R385 PolarHBondContact O-N 3.23Å; Y381-R385 PolarHBondContact OH-NH1 3.32Å; R382-R385 WeakPolarHBondContact O-CB 3.37Å; R382-R385 PolarHBondContact O-N 3.1Å; E383-R385 PolarHBondContact O-N 2.99Å; R385-T387 VanDerWaalsContact C-N 3.3Å; R385-T387 PolarHBondContact O-N 3.14Å; R385-R388 WeakPolarHBondContact O-CG 3.43Å |
| 386 | R | 95.7 | Very high | 95.3 | Very high | 185 Ų | 185 | 129.3 Ų | 129.3 | 70% | 0.698 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.3 | -34.3 | 174.8 | -71.6 | -173.2 | -71 | 110.6 | -3.7 | 112.8 | R382 E383 | R382-R386 PolarHBondContact O-N 2.98Å; E383-R386 PolarHBondContact O-N 3.49Å |
| 387 | T | 94.3 | Very high | 95.5 | Very high | 95 Ų | 95 | 133.9 Ų | 133.9 | 58% | 0.583 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 15.4 | -175 | 53.8 | 0 | 0 | 0 | 0 | 114.4 | E383 K384 R385 L389 | E383-T387 PolarHBondContact O-N 3.02Å; E383-T387 VanDerWaalsContact O-N 3.16Å; E383-T387 PolarHBondContact O-OG1 2.96Å; K384-T387 PolarHBondContact O-OG1 3.43Å; R385-T387 VanDerWaalsContact C-N 3.3Å; R385-T387 PolarHBondContact O-N 3.14Å; T387-L389 PolarHBondContact O-N 2.92Å |
| 388 | R | 95.7 | Very high | 95.8 | Very high | 108 Ų | 108 | 131.2 Ų | 131.2 | 41% | 0.408 | 60% | 0.597 | S | S | . | * | trans | -70.4 | 119.2 | 178.1 | -65.3 | -176.5 | -177.7 | -173.6 | 3.3 | 110.2 | K384 R385 F390 | K384-R388 WeakPolarHBondContact O-CG 3.16Å; R385-R388 WeakPolarHBondContact O-CG 3.43Å; R388-F390 HydrophobicContact CB-CD2 4.49Å; R388-F390 HydrophobicContact CB-CE2 3.96Å; R388-F390 HydrophobicContact CB-CZ 4.28Å | ||
| 389 | L | 93.9 | Very high | 96 | Very high | 125 Ų | 125 | 136 Ų | 136 | 65% | 0.654 | 61% | 0.609 | S | S | * | * | trans | -88.6 | 114.5 | 168 | -60.9 | 175.3 | 0 | 0 | 0 | 108.5 | T387 K393 | T387-L389 PolarHBondContact O-N 2.92Å; L389-K393 HydrophobicContact CD1-CD 4.12Å | ||
| 390 | F | 93.8 | Very high | 96.2 | Very high | 187 Ų | 187 | 137.1 Ų | 137.1 | 82% | 0.82 | 61% | 0.605 | S | S | * | * | trans | -86.4 | -21.3 | 174.3 | -68.9 | -84.9 | 0 | 0 | 0 | 112.5 | R388 | R388-F390 HydrophobicContact CB-CD2 4.49Å; R388-F390 HydrophobicContact CB-CE2 3.96Å; R388-F390 HydrophobicContact CB-CZ 4.28Å | ||
| 391 | A | 96.3 | Very high | 96.2 | Very high | 81 Ų | 81 | 132.5 Ų | 132.5 | 67% | 0.669 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -66.9 | 147.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | K393 | A391-K393 PolarHBondContact O-N 3.12Å; A391-K393 VanDerWaalsContact O-N 3.08Å |
| 392 | K | 95 | Very high | 96.1 | Very high | 195 Ų | 195 | 132.2 Ų | 132.2 | 85% | 0.848 | 60% | 0.601 | S | S | * | * | trans | -63.7 | 109.9 | 178.2 | -178.2 | 179.9 | 178.3 | -179.7 | 0 | 110.3 | ||||
| 393 | K | 95.6 | Very high | 96.1 | Very high | 154 Ų | 154 | 125.6 Ų | 125.6 | 67% | 0.67 | 58% | 0.581 | S | S | * | * | trans | -101.4 | 123.2 | 173.7 | -174.6 | 170.7 | -177 | 169.7 | 0 | 111.4 | L389 A391 R395 | L389-K393 HydrophobicContact CD1-CD 4.12Å; A391-K393 PolarHBondContact O-N 3.12Å; A391-K393 VanDerWaalsContact O-N 3.08Å; K393-R395 PolarHBondContact O-N 3.47Å | ||
| 394 | I | 95 | Very high | 96.1 | Very high | 67 Ų | 67 | 125.7 Ų | 125.7 | 34% | 0.344 | 58% | 0.582 | S | S | . | * | trans | -89.7 | 108.2 | 176.9 | -54.6 | -176.1 | 0 | 0 | 0 | 108.3 | K400 | I394-K400 HydrophobicContact CD1-CD 3.39Å; I394-K400 HydrophobicContact CD1-CG 3.95Å; I394-K400 HydrophobicContact CG2-CB 4.02Å; I394-K400 HydrophobicContact CG2-CD 4.32Å; I394-K400 HydrophobicContact CG2-CG 4.34Å | ||
| 395 | R | 96.5 | Very high | 95.9 | Very high | 190 Ų | 190 | 127 Ų | 127 | 72% | 0.717 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -85.6 | -20.1 | 178.2 | -68.1 | -167.2 | -69 | 143.4 | -4 | 114 | K393 | K393-R395 PolarHBondContact O-N 3.47Š|
| 396 | Y | 97.7 | Very high | 95.8 | Very high | 108 Ų | 108 | 125.9 Ų | 125.9 | 42% | 0.424 | 58% | 0.584 | S | S | . | * | trans | -128.6 | 83 | -173.5 | -59.2 | -77.2 | 0 | 0 | 0 | 109.5 | V398 R399 K400 | Y396-V398 VanDerWaalsContact C-N 3.34Å; Y396-V398 PolarHBondContact O-N 3.21Å; Y396-R399 PolarHBondContact O-N 3.33Å; Y396-K400 PolarHBondContact O-N 3.07Å | ||
| 397 | E | 97.1 | Very high | 95.8 | Very high | 144 Ų | 144 | 119.3 Ų | 119.3 | 67% | 0.673 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -58.7 | -45.1 | -177.6 | -66.6 | 171.8 | -173.7 | 0 | 0 | 111.7 | R399 K400 L401 | E397-R399 VanDerWaalsContact C-N 3.26Å; E397-R399 PolarHBondContact O-N 3.17Å; E397-K400 WeakPolarHBondContact O-CA 3.44Å; E397-K400 VanDerWaalsContact O-CB 3.28Å; E397-K400 WeakPolarHBondContact O-CB 3.43Å; E397-K400 PolarHBondContact O-N 3.43Å; E397-L401 WeakPolarHBondContact O-CG 3.49Å; E397-L401 PolarHBondContact O-N 3.41Å |
| 398 | V | 98.1 | Very high | 95.8 | Very high | 120 Ų | 120 | 121 Ų | 121 | 73% | 0.727 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -55.8 | -39.6 | 177.8 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | Y396 N402 | Y396-V398 VanDerWaalsContact C-N 3.34Å; Y396-V398 PolarHBondContact O-N 3.21Å; V398-N402 WeakPolarHBondContact O-CB 3.23Å; V398-N402 PolarHBondContact O-N 3.14Å |
| 399 | R | 97.7 | Very high | 95.6 | Very high | 159 Ų | 159 | 122.3 Ų | 122.3 | 60% | 0.6 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.9 | -35.5 | 177.5 | -64.1 | -174.4 | -147.4 | 165.3 | 5.4 | 111.8 | Y396 E397 A403 | Y396-R399 PolarHBondContact O-N 3.33Å; E397-R399 VanDerWaalsContact C-N 3.26Å; E397-R399 PolarHBondContact O-N 3.17Å; R399-A403 VanDerWaalsContact O-CB 3.23Å; R399-A403 WeakPolarHBondContact O-CB 3.49Å; R399-A403 PolarHBondContact O-N 3.21Å |
| 400 | K | 97.3 | Very high | 95.7 | Very high | 92 Ų | 92 | 126.2 Ų | 126.2 | 40% | 0.4 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.3 | -51.6 | 174.8 | -164.8 | -147.9 | -173 | -147.1 | 0 | 110 | I394 Y396 E397 N402 A403 E404 | I394-K400 HydrophobicContact CD1-CD 3.39Å; I394-K400 HydrophobicContact CD1-CG 3.95Å; I394-K400 HydrophobicContact CG2-CB 4.02Å; I394-K400 HydrophobicContact CG2-CD 4.32Å; I394-K400 HydrophobicContact CG2-CG 4.34Å; Y396-K400 PolarHBondContact O-N 3.07Å; E397-K400 WeakPolarHBondContact O-CA 3.44Å; E397-K400 VanDerWaalsContact O-CB 3.28Å; E397-K400 WeakPolarHBondContact O-CB 3.43Å; E397-K400 PolarHBondContact O-N 3.43Å; K400-N402 VanDerWaalsContact C-N 3.33Å; K400-N402 PolarHBondContact O-N 2.83Å; K400-A403 CarbonylContact O-C 3.55Å; K400-A403 PolarHBondContact O-N 2.96Å; K400-A403 VanDerWaalsContact O-N 3.12Å; K400-E404 VanDerWaalsContact CD-OE1 3.22Å; K400-E404 WeakPolarHBondContact CD-OE1 3.38Å; K400-E404 WeakPolarHBondContact CE-OE1 3.3Å; K400-E404 WeakPolarHBondContact CG-OE1 3.46Å; K400-E404 IonicContact NZ-OE1 2.81Å; K400-E404 PolarHBondContact NZ-OE1 3.29Å; K400-E404 WeakPolarHBondContact O-CG 3.44Å; K400-E404 PolarHBondContact O-N 2.71Å |
| 401 | L | 97 | Very high | 95.7 | Very high | 92 Ų | 92 | 119.9 Ų | 119.9 | 48% | 0.482 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.6 | -40.2 | 178.8 | -63.3 | 179.2 | 0 | 0 | 0 | 112.4 | E397 K405 | E397-L401 WeakPolarHBondContact O-CG 3.49Å; E397-L401 PolarHBondContact O-N 3.41Å; L401-K405 VanDerWaalsContact O-CG 3.3Å; L401-K405 WeakPolarHBondContact O-CG 3.26Å; L401-K405 PolarHBondContact O-N 3.01Å; L401-K405 VanDerWaalsContact O-N 3.1Å |
| 402 | N | 95.2 | Very high | 95.6 | Very high | 108 Ų | 108 | 125.5 Ų | 125.5 | 58% | 0.578 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.9 | -42.3 | 175.5 | -169.9 | -60 | 0 | 0 | 0 | 111.7 | V398 K400 K405 R406 | V398-N402 WeakPolarHBondContact O-CB 3.23Å; V398-N402 PolarHBondContact O-N 3.14Å; K400-N402 VanDerWaalsContact C-N 3.33Å; K400-N402 PolarHBondContact O-N 2.83Å; N402-K405 PolarHBondContact O-N 3.1Å; N402-R406 WeakPolarHBondContact O-CB 3.3Å; N402-R406 PolarHBondContact O-N 3.13Å; N402-R406 VanDerWaalsContact O-N 3.14Å |
| 403 | A | 96.2 | Very high | 95.6 | Very high | 28 Ų | 28 | 120.3 Ų | 120.3 | 23% | 0.231 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -69.1 | -29 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R399 K400 R408 F413 | R399-A403 VanDerWaalsContact O-CB 3.23Å; R399-A403 WeakPolarHBondContact O-CB 3.49Å; R399-A403 PolarHBondContact O-N 3.21Å; K400-A403 CarbonylContact O-C 3.55Å; K400-A403 PolarHBondContact O-N 2.96Å; K400-A403 VanDerWaalsContact O-N 3.12Å; A403-R408 PolarHBondContact O-NH2 3.01Å; A403-F413 HydrophobicContact CB-CE1 4.44Å; A403-F413 HydrophobicContact CB-CZ 3.93Å; A403-F413 WeakPolarHBondContact O-CE1 3.44Å |
| 404 | E | 95.5 | Very high | 95.6 | Very high | 107 Ų | 107 | 115.3 Ų | 115.3 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.6 | -41.7 | 172.4 | -74.3 | 167.3 | 175.5 | 0 | 0 | 110.9 | K400 R406 | K400-E404 VanDerWaalsContact CD-OE1 3.22Å; K400-E404 WeakPolarHBondContact CD-OE1 3.38Å; K400-E404 WeakPolarHBondContact CE-OE1 3.3Å; K400-E404 WeakPolarHBondContact CG-OE1 3.46Å; K400-E404 IonicContact NZ-OE1 2.81Å; K400-E404 PolarHBondContact NZ-OE1 3.29Å; K400-E404 WeakPolarHBondContact O-CG 3.44Å; K400-E404 PolarHBondContact O-N 2.71Å; E404-R406 VanDerWaalsContact C-N 3.3Å; E404-R406 PolarHBondContact O-N 2.89Å |
| 405 | K | 94.5 | Very high | 95.4 | Very high | 176 Ų | 176 | 120.7 Ų | 120.7 | 77% | 0.765 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -72.6 | -17 | 178.1 | -70.2 | 177 | -177.6 | -175 | 0 | 114.6 | L401 N402 | L401-K405 VanDerWaalsContact O-CG 3.3Å; L401-K405 WeakPolarHBondContact O-CG 3.26Å; L401-K405 PolarHBondContact O-N 3.01Å; L401-K405 VanDerWaalsContact O-N 3.1Å; N402-K405 PolarHBondContact O-N 3.1Å |
| 406 | R | 94.4 | Very high | 94.7 | Very high | 123 Ų | 123 | 121.4 Ų | 121.4 | 46% | 0.464 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -79.8 | 131.4 | -173.7 | -170.3 | 170.9 | 178.8 | -179.2 | -1.2 | 111 | N402 E404 F413 | N402-R406 WeakPolarHBondContact O-CB 3.3Å; N402-R406 PolarHBondContact O-N 3.13Å; N402-R406 VanDerWaalsContact O-N 3.14Å; E404-R406 VanDerWaalsContact C-N 3.3Å; E404-R406 PolarHBondContact O-N 2.89Å; R406-F413 HydrophobicContact CB-CD1 3.78Å; R406-F413 HydrophobicContact CB-CE1 3.79Å; R406-F413 VanDerWaalsContact CD-CD1 3.46Å; R406-F413 HydrophobicContact CG-CB 4.34Å; R406-F413 HydrophobicContact CG-CD1 3.55Å; R406-F413 HydrophobicContact CG-CE1 4.05Å; R406-F413 HydrophobicContact CG-CG 4.12Å |
| 407 | P | 94.1 | Very high | 94 | Very high | 47 Ų | 47 | 122 Ų | 122 | 31% | 0.305 | 57% | 0.574 | S | S | . | * | trans | -62.6 | 140.1 | -178.1 | 23.8 | -33 | 0 | 0 | 0 | 111.8 | F413 V414 R416 | P407-F413 WeakPolarHBondContact O-CA 3.38Å; P407-V414 WeakPolarHBondContact CG-O 3.39Å; P407-V414 PolarHBondContact O-N 3.44Å; P407-R416 HydrophobicContact CG-CG 4.38Å | ||
| 408 | R | 95.2 | Very high | 93 | Very high | 129 Ų | 129 | 120.3 Ų | 120.3 | 49% | 0.487 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.2 | 146.3 | -179.9 | -64.6 | 176.1 | -175.4 | -113.2 | 9.3 | 111.6 | A403 G411 R412 F413 | A403-R408 PolarHBondContact O-NH2 3.01Å; R408-G411 PolarHBondContact NH1-O 3.29Å; R408-R412 CarbonylContact C-O 3.58Å; R408-R412 WeakPolarHBondContact CA-O 3Å; R408-R412 WeakPolarHBondContact CB-O 3.27Å; R408-F413 HydrophobicContact CG-CD1 3.77Å; R408-F413 HydrophobicContact CG-CE1 4.13Å; R408-F413 VanDerWaalsContact NE-CE1 3.34Å |
| 409 | M | 92.1 | Very high | 91.3 | Very high | 136 Ų | 136 | 123.9 Ų | 123.9 | 67% | 0.67 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -127.2 | 124.5 | 163.9 | -69 | 177.8 | 71.5 | 0 | 0 | 107.5 | G411 R412 V414 | M409-G411 VanDerWaalsContact C-N 3.32Å; M409-G411 PolarHBondContact O-N 3.04Å; M409-R412 PolarHBondContact N-O 2.83Å; M409-R412 PolarHBondContact O-N 2.76Å; M409-R412 VanDerWaalsContact O-N 3.12Å; M409-V414 HydrophobicContact CB-CG2 3.63Å; M409-V414 HydrophobicContact CG-CG2 3.65Å; M409-V414 HydrophobicContact SD-CG1 4.39Å; M409-V414 HydrophobicContact SD-CG2 3.96Å |
| 410 | K | 94.8 | Very high | 89.6 | Confident | 207 Ų | 207 | 122.6 Ų | 122.6 | 90% | 0.9 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47.9 | 50.2 | -176.6 | -160.2 | 69.7 | 174.4 | 177.6 | 0 | 112.9 | R412 | K410-R412 PolarHBondContact O-N 3.05Å; K410-R412 VanDerWaalsContact O-N 3.15Å |
| 411 | G | 93.8 | Very high | 87.6 | Confident | 54 Ų | 54 | 119.8 Ų | 119.8 | 56% | 0.557 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.6 | -15.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | R408 M409 | R408-G411 PolarHBondContact NH1-O 3.29Å; M409-G411 VanDerWaalsContact C-N 3.32Å; M409-G411 PolarHBondContact O-N 3.04Å |
| 412 | R | 94.5 | Very high | 85.4 | Confident | 200 Ų | 200 | 119.9 Ų | 119.9 | 76% | 0.755 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.9 | 144.2 | -178.9 | -62.7 | 178.7 | -178.3 | -103 | -0.5 | 111.5 | R408 M409 K410 | R408-R412 CarbonylContact C-O 3.58Å; R408-R412 WeakPolarHBondContact CA-O 3Å; R408-R412 WeakPolarHBondContact CB-O 3.27Å; M409-R412 PolarHBondContact N-O 2.83Å; M409-R412 PolarHBondContact O-N 2.76Å; M409-R412 VanDerWaalsContact O-N 3.12Å; K410-R412 PolarHBondContact O-N 3.05Å; K410-R412 VanDerWaalsContact O-N 3.15Å |
| 413 | F | 96.3 | Very high | 83.5 | Confident | 85 Ų | 85 | 121.1 Ų | 121.1 | 37% | 0.373 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68 | 134.3 | 174.1 | -63.5 | -55.3 | 0 | 0 | 0 | 111.7 | A403 R406 P407 R408 | A403-F413 HydrophobicContact CB-CE1 4.44Å; A403-F413 HydrophobicContact CB-CZ 3.93Å; A403-F413 WeakPolarHBondContact O-CE1 3.44Å; R406-F413 HydrophobicContact CB-CD1 3.78Å; R406-F413 HydrophobicContact CB-CE1 3.79Å; R406-F413 VanDerWaalsContact CD-CD1 3.46Å; R406-F413 HydrophobicContact CG-CB 4.34Å; R406-F413 HydrophobicContact CG-CD1 3.55Å; R406-F413 HydrophobicContact CG-CE1 4.05Å; R406-F413 HydrophobicContact CG-CG 4.12Å; P407-F413 WeakPolarHBondContact O-CA 3.38Å; R408-F413 HydrophobicContact CG-CD1 3.77Å; R408-F413 HydrophobicContact CG-CE1 4.13Å; R408-F413 VanDerWaalsContact NE-CE1 3.34Å |
| 414 | V | 93.7 | Very high | 81.5 | Confident | 50 Ų | 50 | 123.9 Ų | 123.9 | 30% | 0.303 | 64% | 0.637 | S | S | . | * | trans | -111.2 | 142.9 | 176.7 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | P407 M409 | P407-V414 WeakPolarHBondContact CG-O 3.39Å; P407-V414 PolarHBondContact O-N 3.44Å; M409-V414 HydrophobicContact CB-CG2 3.63Å; M409-V414 HydrophobicContact CG-CG2 3.65Å; M409-V414 HydrophobicContact SD-CG1 4.39Å; M409-V414 HydrophobicContact SD-CG2 3.96Å | ||
| 415 | K | 91.3 | Very high | 79.5 | Confident | 180 Ų | 180 | 126.6 Ų | 126.6 | 78% | 0.783 | 65% | 0.654 | S | S | * | * | trans | -89.4 | 126.7 | 168.5 | -172.2 | 177 | -179 | -178.6 | 0 | 107.1 | T417 | K415-T417 PolarHBondContact O-N 3.15Š| ||
| 416 | R | 83.2 | Confident | 78.1 | Confident | 205 Ų | 205 | 124 Ų | 124 | 77% | 0.774 | 66% | 0.655 | S | S | * | * | trans | -62.8 | 109 | 168.4 | -66.1 | -176.8 | -175.9 | 146.1 | 0.5 | 107 | P407 | P407-R416 HydrophobicContact CG-CG 4.38Š| ||
| 417 | T | 81.3 | Confident | 76.2 | Confident | 120 Ų | 120 | 126.6 Ų | 126.6 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | trans | -67.4 | 123.5 | 164 | 46.5 | 0 | 0 | 0 | 0 | 106.3 | K415 F419 | K415-T417 PolarHBondContact O-N 3.15Å; T417-F419 PolarHBondContact O-N 3.09Å; T417-F419 VanDerWaalsContact O-N 3.12Å | ||
| 418 | P | 76.5 | Confident | 75.3 | Confident | 108 Ų | 108 | 130.6 Ų | 130.6 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | -59.8 | 122.8 | 170 | 26.1 | -31.1 | 0 | 0 | 0 | 106.8 | V420 | P418-V420 PolarHBondContact O-N 2.73Š| ||
| 419 | F | 63.6 | Low | 74.3 | Confident | 195 Ų | 195 | 130.6 Ų | 130.6 | 86% | 0.855 | 74% | 0.735 | S | S | * | * | trans | -65.7 | 93.1 | 169.6 | -171.7 | -98.5 | 0 | 0 | 0 | 106.1 | T417 G421 | T417-F419 PolarHBondContact O-N 3.09Å; T417-F419 VanDerWaalsContact O-N 3.12Å; F419-G421 VanDerWaalsContact CD1-CA 3.45Å; F419-G421 PolarHBondContact O-N 3.38Å | ||
| 420 | V | 60.9 | Low | 73.3 | Confident | 133 Ų | 133 | 130.3 Ų | 130.3 | 81% | 0.806 | 74% | 0.739 | S | S | * | * | trans | -71.6 | 76.8 | 162.1 | -178.4 | 0 | 0 | 0 | 0 | 104.7 | P418 A422 | P418-V420 PolarHBondContact O-N 2.73Å; V420-A422 PolarHBondContact O-N 3.46Å; V420-A422 VanDerWaalsContact O-N 3.12Å | ||
| 421 | G | 54.5 | Low | 72 | Confident | 33 Ų | 33 | 125.8 Ų | 125.8 | 34% | 0.34 | 73% | 0.729 | S | S | . | * | trans | -62.7 | 110.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | F419 T423 | F419-G421 VanDerWaalsContact CD1-CA 3.45Å; F419-G421 PolarHBondContact O-N 3.38Å; G421-T423 PolarHBondContact O-N 2.92Å | ||
| 422 | A | 52.5 | Low | 70.7 | Confident | 93 Ų | 93 | 130.3 Ų | 130.3 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | -50.9 | 97 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V420 A424 | V420-A422 PolarHBondContact O-N 3.46Å; V420-A422 VanDerWaalsContact O-N 3.12Å; A422-A424 PolarHBondContact O-N 3.46Å | ||
| 423 | T | 55.2 | Low | 69.1 | Low | 135 Ų | 135 | 125.7 Ų | 125.7 | 83% | 0.828 | 74% | 0.739 | S | S | * | * | trans | -75.5 | 74.1 | 152.3 | 51.3 | 0 | 0 | 0 | 0 | 106.6 | G421 L425 | G421-T423 PolarHBondContact O-N 2.92Å; T423-L425 PolarHBondContact O-N 3.33Å | ||
| 424 | A | 53.1 | Low | 67.2 | Low | 86 Ų | 86 | 128.6 Ų | 128.6 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | -67.3 | 105.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | A422 P426 | A422-A424 PolarHBondContact O-N 3.46Å; A424-P426 WeakPolarHBondContact O-CD 3.1Å | ||
| 425 | L | 54.5 | Low | 65.1 | Low | 164 Ų | 164 | 134.6 Ų | 134.6 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -61 | 125.6 | 165.8 | -69 | 166.2 | 0 | 0 | 0 | 108.1 | T423 | T423-L425 PolarHBondContact O-N 3.33Š| ||
| 426 | P | 65.6 | Low | 62.9 | Low | 121 Ų | 121 | 130.8 Ų | 130.8 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -78.5 | 135.4 | 158.9 | 31.7 | -28 | 0 | 0 | 0 | 108.7 | A424 | A424-P426 WeakPolarHBondContact O-CD 3.1Š| ||
| 427 | A | 54.2 | Low | 61.1 | Low | 177 Ų | 177 | 124.1 Ų | 124.1 | 100% | 1.463 | 81% | 0.805 | S | S | * | * | trans | -69.3 | 0 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.3 |
Retrieved 427 of 427 residues in 47.3 ms
(Link to these results)