| 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 | 39.4 | Very low | 50.8 | Low | 236 Ų | 236 | 149.1 Ų | 149.1 | 100% | 1.163 | 78% | 0.783 | S | S | * | * | 0 | 120.8 | 0 | -70.9 | 169.8 | 169.8 | 0 | 0 | 107.8 | |||||
| 2 | T | 43.7 | Very low | 50.9 | Low | 145 Ų | 145 | 146 Ų | 146 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | trans | -141.2 | 72.6 | -172.3 | 31.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 3 | T | 47.1 | Very low | 51.2 | Low | 139 Ų | 139 | 143.3 Ų | 143.3 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | -140.7 | 127.9 | -177.2 | 47.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 4 | G | 53 | Low | 51.1 | Low | 78 Ų | 78 | 141.6 Ų | 141.6 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | cis | -167.2 | 144.2 | -9.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 5 | R | 53.1 | Low | 51 | Low | 248 Ų | 248 | 141.1 Ų | 141.1 | 94% | 0.936 | 74% | 0.74 | S | S | * | * | trans | -126.7 | 37.6 | -169.9 | -151 | 179.3 | -172.3 | -175.1 | 2.3 | 114.1 | ||||
| 6 | H | 53.5 | Low | 51.1 | Low | 164 Ų | 164 | 140.1 Ų | 140.1 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | trans | -105.3 | -11.6 | -176.1 | -90.6 | -81.4 | 0 | 0 | 0 | 116.3 | G8 | H6-G8 VanDerWaalsContact C-N 3.34Å; H6-G8 PolarHBondContact O-N 3.49Å | ||
| 7 | S | 55.6 | Low | 51.1 | Low | 89 Ų | 89 | 136.2 Ų | 136.2 | 62% | 0.622 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -74.6 | -14.3 | -169.4 | -163.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 8 | G | 52.9 | Low | 51.2 | Low | 52 Ų | 52 | 134.6 Ų | 134.6 | 54% | 0.536 | 72% | 0.723 | S | S | . | * | H | α-helix | trans | -78.5 | -49 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | H6 K11 L12 | H6-G8 VanDerWaalsContact C-N 3.34Å; H6-G8 PolarHBondContact O-N 3.49Å; G8-K11 PolarHBondContact O-N 3.12Å; G8-L12 PolarHBondContact O-N 3.46Å |
| 9 | W | 55 | Low | 51.4 | Low | 210 Ų | 210 | 136.5 Ų | 136.5 | 80% | 0.795 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -72.5 | -33.3 | -170 | -78.9 | 36.6 | 0 | 0 | 0 | 113 | K11 L12 I13 | W9-K11 VanDerWaalsContact C-N 3.26Å; W9-K11 PolarHBondContact O-N 3Å; W9-L12 PolarHBondContact O-N 3.12Å; W9-L12 VanDerWaalsContact O-N 3.14Å; W9-I13 WeakPolarHBondContact O-CG1 3.42Å; W9-I13 PolarHBondContact O-N 3.24Å |
| 10 | Q | 53 | Low | 51.6 | Low | 133 Ų | 133 | 134.3 Ų | 134.3 | 62% | 0.621 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -60.5 | -34.3 | 176.4 | -71.7 | -179.8 | -54.5 | 0 | 0 | 112.6 | L14 | Q10-L14 WeakPolarHBondContact O-CB 3.32Å; Q10-L14 PolarHBondContact O-N 3.39Å |
| 11 | K | 52.8 | Low | 51.9 | Low | 146 Ų | 146 | 133.3 Ų | 133.3 | 64% | 0.635 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -73.4 | -33.8 | 175.9 | -66.3 | -168.6 | 177.2 | -171 | 0 | 112.9 | G8 W9 L14 L15 | G8-K11 PolarHBondContact O-N 3.12Å; W9-K11 VanDerWaalsContact C-N 3.26Å; W9-K11 PolarHBondContact O-N 3Å; K11-L14 PolarHBondContact O-N 3.15Å; K11-L15 PolarHBondContact O-N 3.23Å; K11-L15 VanDerWaalsContact O-N 3.1Å |
| 12 | L | 51.8 | Low | 53 | Low | 112 Ų | 112 | 126.4 Ų | 126.4 | 59% | 0.586 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -70 | -39.5 | 175.7 | -157.2 | 76.7 | 0 | 0 | 0 | 111.4 | G8 W9 L15 L16 | G8-L12 PolarHBondContact O-N 3.46Å; W9-L12 PolarHBondContact O-N 3.12Å; W9-L12 VanDerWaalsContact O-N 3.14Å; L12-L15 PolarHBondContact O-N 3.33Å; L12-L16 PolarHBondContact O-N 3.43Å |
| 13 | I | 54.2 | Low | 54.5 | Low | 111 Ų | 111 | 128.5 Ų | 128.5 | 57% | 0.569 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -64.8 | -41.8 | 174.4 | -66.6 | 166.2 | 0 | 0 | 0 | 110.5 | W9 L15 L16 A17 | W9-I13 WeakPolarHBondContact O-CG1 3.42Å; W9-I13 PolarHBondContact O-N 3.24Å; I13-L15 VanDerWaalsContact C-N 3.32Å; I13-L15 PolarHBondContact O-N 3.07Å; I13-L16 PolarHBondContact O-N 2.97Å; I13-A17 WeakPolarHBondContact O-CB 3.42Å; I13-A17 PolarHBondContact O-N 2.88Å |
| 14 | L | 50.3 | Low | 56.1 | Low | 119 Ų | 119 | 123 Ų | 123 | 62% | 0.623 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -63.2 | -33.9 | 175.1 | -103 | 157.7 | 0 | 0 | 0 | 113.5 | Q10 K11 A17 | Q10-L14 WeakPolarHBondContact O-CB 3.32Å; Q10-L14 PolarHBondContact O-N 3.39Å; K11-L14 PolarHBondContact O-N 3.15Å; L14-A17 PolarHBondContact O-N 3.14Å |
| 15 | L | 49.4 | Very low | 57.9 | Low | 134 Ų | 134 | 119.3 Ų | 119.3 | 70% | 0.702 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.9 | -26.6 | 175.4 | -82.7 | 163.2 | 0 | 0 | 0 | 113.4 | K11 L12 I13 | K11-L15 PolarHBondContact O-N 3.23Å; K11-L15 VanDerWaalsContact O-N 3.1Å; L12-L15 PolarHBondContact O-N 3.33Å; I13-L15 VanDerWaalsContact C-N 3.32Å; I13-L15 PolarHBondContact O-N 3.07Å |
| 16 | L | 52.4 | Low | 59.7 | Low | 125 Ų | 125 | 112.8 Ų | 112.8 | 65% | 0.654 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -84.4 | -21.9 | 172.7 | -74.7 | 165.1 | 0 | 0 | 0 | 113 | L12 I13 V18 | L12-L16 PolarHBondContact O-N 3.43Å; I13-L16 PolarHBondContact O-N 2.97Å; L16-V18 VanDerWaalsContact C-N 3.27Å; L16-V18 PolarHBondContact O-N 3.26Å |
| 17 | A | 51.1 | Low | 61.6 | Low | 75 Ų | 75 | 105.4 Ų | 105.4 | 62% | 0.62 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -5.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | I13 L14 | I13-A17 WeakPolarHBondContact O-CB 3.42Å; I13-A17 PolarHBondContact O-N 2.88Å; L14-A17 PolarHBondContact O-N 3.14Å |
| 18 | V | 53.1 | Low | 63.5 | Low | 107 Ų | 107 | 103.6 Ų | 103.6 | 65% | 0.648 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123 | 47.9 | 177 | -160.5 | 0 | 0 | 0 | 0 | 111 | L16 P20 | L16-V18 VanDerWaalsContact C-N 3.27Å; L16-V18 PolarHBondContact O-N 3.26Å; V18-P20 WeakPolarHBondContact O-CD 3.38Å |
| 19 | F | 55.9 | Low | 65.6 | Low | 171 Ų | 171 | 102.4 Ų | 102.4 | 75% | 0.75 | 53% | 0.53 | S | S | * | . | trans | -77.4 | 114.8 | 139.5 | -93.8 | -88.4 | 0 | 0 | 0 | 107.2 | C21 | F19-C21 PolarHBondContact O-N 3Š| ||
| 20 | P | 54.2 | Low | 67.3 | Low | 92 Ų | 92 | 100.4 Ų | 100.4 | 60% | 0.597 | 53% | 0.527 | S | S | * | . | trans | -57 | 129.8 | 163.4 | -16.8 | 30.7 | 0 | 0 | 0 | 107.3 | V18 C22 | V18-P20 WeakPolarHBondContact O-CD 3.38Å; P20-C22 PolarHBondContact O-N 3.36Å | ||
| 21 | C | 59.2 | Low | 69.3 | Low | 113 Ų | 113 | 97.7 Ų | 97.7 | 76% | 0.764 | 52% | 0.515 | S | S | * | . | trans | -73.2 | 79.8 | 166.1 | -173.4 | 0 | 0 | 0 | 0 | 106.9 | F19 R23 | F19-C21 PolarHBondContact O-N 3Å; C21-R23 PolarHBondContact O-N 3.27Å | ||
| 22 | C | 62.6 | Low | 71.3 | Confident | 91 Ų | 91 | 99.6 Ų | 99.6 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | trans | -61.9 | 91.7 | 169.7 | -65.7 | 0 | 0 | 0 | 0 | 107.1 | P20 | P20-C22 PolarHBondContact O-N 3.36Š| ||
| 23 | R | 74.1 | Confident | 73.4 | Confident | 189 Ų | 189 | 98.5 Ų | 98.5 | 71% | 0.713 | 52% | 0.515 | S | S | * | . | trans | -70.8 | 128.5 | 165 | -64.2 | -174.9 | 170.6 | -162.4 | -4.7 | 106.3 | C21 A51 | C21-R23 PolarHBondContact O-N 3.27Å; R23-A51 VanDerWaalsContact C-CB 3.42Å; R23-A51 HydrophobicContact CB-CB 3.78Å; R23-A51 WeakPolarHBondContact O-CB 3.35Å | ||
| 24 | S | 81.9 | Confident | 75.4 | Confident | 25 Ų | 25 | 94.3 Ų | 94.3 | 18% | 0.175 | 49% | 0.492 | C | S | . | . | trans | -140 | 158.2 | 173.9 | 54.9 | 0 | 0 | 0 | 0 | 107.9 | Q26 D126 G129 | S24-Q26 PolarHBondContact O-N 2.9Å; S24-D126 VanDerWaalsContact CA-OD1 3.28Å; S24-D126 WeakPolarHBondContact CA-OD1 3.3Å; S24-G129 WeakPolarHBondContact OG-CA 3.39Å | ||
| 25 | V | 89.8 | Confident | 77.5 | Confident | 0 Ų | 0 | 95.1 Ų | 95.1 | 0% | 0 | 49% | 0.487 | C | S | . | . | trans | -55.6 | 128.4 | -175.1 | 66.1 | 0 | 0 | 0 | 0 | 111.9 | V27 I49 I123 D126 G129 T130 P131 | V25-V27 HydrophobicContact CG2-CG2 4.1Å; V25-I49 WeakPolarHBondContact CA-O 3.39Å; V25-I123 HydrophobicContact CG2-CD1 4.1Å; V25-D126 WeakPolarHBondContact CG1-O 3.5Å; V25-D126 PolarHBondContact N-OD1 2.82Å; V25-G129 CarbonylContact O-C 3.4Å; V25-G129 WeakPolarHBondContact O-CA 3.35Å; V25-T130 CarbonylContact O-C 3.57Å; V25-T130 PolarHBondContact O-N 2.79Å; V25-P131 HydrophobicContact CG1-CB 3.8Å | ||
| 26 | Q | 90.9 | Very high | 79.8 | Confident | 110 Ų | 110 | 89.9 Ų | 89.9 | 51% | 0.514 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 98.3 | 177.4 | -70.8 | -179.2 | 2.2 | 0 | 0 | 110 | S24 F48 I49 | S24-Q26 PolarHBondContact O-N 2.9Å; Q26-F48 WeakPolarHBondContact O-CA 3.34Å; Q26-I49 HydrophobicContact CB-CB 4.43Å; Q26-I49 PolarHBondContact N-O 3.43Å; Q26-I49 PolarHBondContact O-N 2.97Å |
| 27 | V | 94.4 | Very high | 81.8 | Confident | 9 Ų | 9 | 85.5 Ų | 85.5 | 6% | 0.055 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 139 | 172.5 | -170.4 | 0 | 0 | 0 | 0 | 109.7 | V25 C46 F48 C119 V121 T130 A133 | V25-V27 HydrophobicContact CG2-CG2 4.1Å; V27-C46 WeakPolarHBondContact CG1-SG 3.32Å; V27-F48 HydrophobicContact CG2-CB 4.17Å; V27-C119 HydrophobicContact CG1-CB 4.38Å; V27-V121 HydrophobicContact CG1-CG2 4.07Å; V27-V121 HydrophobicContact CG2-CB 3.65Å; V27-V121 HydrophobicContact CG2-CG2 3.57Å; V27-T130 VanDerWaalsContact CB-O 3.3Å; V27-T130 WeakPolarHBondContact CB-O 3.4Å; V27-T130 WeakPolarHBondContact CG2-O 3.47Å; V27-T130 PolarHBondContact N-O 3.32Å; V27-A133 HydrophobicContact CB-CB 4.4Å; V27-A133 HydrophobicContact CG1-CB 3.89Å |
| 28 | S | 94.8 | Very high | 83.9 | Confident | 52 Ų | 52 | 86 Ų | 86 | 36% | 0.364 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 149.7 | -174.9 | 56.9 | 0 | 0 | 0 | 0 | 111.3 | C46 S47 | S28-C46 WeakPolarHBondContact O-CA 3.35Å; S28-S47 PolarHBondContact N-O 3.39Å; S28-S47 PolarHBondContact O-N 2.92Å; S28-S47 PolarHBondContact O-OG 3.29Å; S28-S47 PolarHBondContact OG-O 3.33Å; S28-S47 PolarHBondContact OG-OG 2.96Å |
| 29 | I | 96.1 | Very high | 85.9 | Confident | 27 Ų | 27 | 82.9 Ų | 82.9 | 14% | 0.138 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 134.5 | 171.1 | -63.5 | 167 | 0 | 0 | 0 | 107.1 | E31 Y34 C46 W62 C119 A133 T135 | I29-E31 WeakPolarHBondContact CG2-O 3.31Å; I29-Y34 HydrophobicContact CG2-CE2 4.38Å; I29-C46 HydrophobicContact CG1-CB 4.27Å; I29-W62 HydrophobicContact CD1-CH2 3.72Å; I29-W62 HydrophobicContact CD1-CZ3 3.89Å; I29-W62 HydrophobicContact CG1-CH2 4.27Å; I29-C119 HydrophobicContact CD1-CB 4.14Å; I29-A133 HydrophobicContact CB-CB 4.5Å; I29-A133 HydrophobicContact CD1-CB 4Å; I29-A133 HydrophobicContact CG1-CB 3.87Å; I29-T135 HydrophobicContact CD1-CG2 3.96Å; I29-T135 HydrophobicContact CG2-CG2 4.13Å |
| 30 | K | 91.7 | Very high | 87.7 | Confident | 168 Ų | 168 | 79.1 Ų | 79.1 | 73% | 0.73 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -66.9 | -39.3 | -172.3 | -179.1 | -172.9 | 165.1 | -123.4 | 0 | 113.3 | ||
| 31 | E | 95.1 | Very high | 89.8 | Confident | 76 Ų | 76 | 78.6 Ų | 78.6 | 36% | 0.355 | 40% | 0.4 | S | S | . | . | trans | -117.8 | 133 | -173.3 | -75.4 | 162.4 | -140.2 | 0 | 0 | 110.2 | I29 Y34 T135 | I29-E31 WeakPolarHBondContact CG2-O 3.31Å; E31-Y34 HydrophobicContact CB-CD2 4.48Å; E31-Y34 HydrophobicContact CB-CE1 4.29Å; E31-Y34 HydrophobicContact CB-CE2 3.93Å; E31-T135 WeakPolarHBondContact O-CB 3.33Å; E31-T135 PolarHBondContact O-OG1 2.68Å | ||
| 32 | K | 93.5 | Very high | 91.5 | Very high | 186 Ų | 186 | 73.6 Ų | 73.6 | 81% | 0.809 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -83.7 | -26.4 | -175.1 | -65.3 | -174.3 | 178 | -175.8 | 0 | 113.5 | T135 S136 | K32-T135 PolarHBondContact O-OG1 2.99Å; K32-S136 PolarHBondContact O-N 3.13Å |
| 33 | E | 96.2 | Very high | 93.1 | Very high | 88 Ų | 88 | 72.4 Ų | 72.4 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 122 | 178 | -175.3 | -176.4 | -111.5 | 0 | 0 | 109 | R35 S136 | E33-R35 HydrophobicContact CG-CG 4.34Å; E33-R35 IonicContact OE1-NH2 2.75Å; E33-R35 IonicContact OE2-CZ 3.36Å; E33-R35 IonicContact OE2-NE 2.76Å; E33-R35 PolarHBondContact OE2-NE 3.34Å; E33-R35 IonicContact OE2-NH2 3.61Å; E33-R35 PolarHBondContact OE2-NH2 3.36Å; E33-S136 CarbonylContact C-O 3.59Å; E33-S136 VanDerWaalsContact CA-O 3.28Å; E33-S136 WeakPolarHBondContact CA-O 3.4Å |
| 34 | Y | 96.3 | Very high | 94.2 | Very high | 24 Ų | 24 | 63.4 Ų | 63.4 | 9% | 0.094 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 129.6 | 172.1 | -70.5 | -96.3 | 0 | 0 | 0 | 109.1 | I29 E31 V42 L44 T135 S136 L138 | I29-Y34 HydrophobicContact CG2-CE2 4.38Å; E31-Y34 HydrophobicContact CB-CD2 4.48Å; E31-Y34 HydrophobicContact CB-CE1 4.29Å; E31-Y34 HydrophobicContact CB-CE2 3.93Å; Y34-V42 HydrophobicContact CD1-CG2 3.92Å; Y34-V42 HydrophobicContact CG-CG2 4.26Å; Y34-L44 HydrophobicContact CD1-CD2 4.11Å; Y34-L44 HydrophobicContact CD2-CD2 3.45Å; Y34-L44 VanDerWaalsContact CD2-CD2 3.45Å; Y34-L44 HydrophobicContact CE1-CD2 4.19Å; Y34-L44 HydrophobicContact CE2-CD2 3.56Å; Y34-L44 HydrophobicContact CG-CD2 3.74Å; Y34-T135 HydrophobicContact CD2-CG2 4.2Å; Y34-T135 WeakPolarHBondContact CD2-OG1 3.49Å; Y34-T135 HydrophobicContact CE2-CG2 4Å; Y34-T135 WeakPolarHBondContact CE2-OG1 3.31Å; Y34-S136 PolarHBondContact N-O 2.95Å; Y34-L138 PolarHBondContact O-N 3.2Å |
| 35 | R | 95.7 | Very high | 94.9 | Very high | 135 Ų | 135 | 64.4 Ų | 64.4 | 51% | 0.509 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 111.7 | -179.6 | -70.6 | -172.2 | -179.1 | -141.3 | -9.7 | 110 | E33 L140 | E33-R35 HydrophobicContact CG-CG 4.34Å; E33-R35 IonicContact OE1-NH2 2.75Å; E33-R35 IonicContact OE2-CZ 3.36Å; E33-R35 IonicContact OE2-NE 2.76Å; E33-R35 PolarHBondContact OE2-NE 3.34Å; E33-R35 IonicContact OE2-NH2 3.61Å; E33-R35 PolarHBondContact OE2-NH2 3.36Å; R35-L140 HydrophobicContact CB-CD1 4.12Å |
| 36 | V | 96.1 | Very high | 95.2 | Very high | 24 Ų | 24 | 64.4 Ų | 64.4 | 15% | 0.145 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 146.3 | -167.9 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | D40 V42 L109 L138 V139 L140 | V36-D40 HydrophobicContact CG1-CB 3.64Å; V36-V42 HydrophobicContact CG2-CB 4.07Å; V36-V42 HydrophobicContact CG2-CG2 3.88Å; V36-L109 HydrophobicContact CB-CD1 3.71Å; V36-L109 HydrophobicContact CG1-CD1 3.47Å; V36-L109 VanDerWaalsContact CG1-CD1 3.47Å; V36-L109 HydrophobicContact CG2-CD1 4.47Å; V36-L138 PolarHBondContact N-O 2.91Å; V36-V139 CarbonylContact O-C 3.5Å; V36-V139 VanDerWaalsContact O-CA 3.31Å; V36-V139 WeakPolarHBondContact O-CA 3.28Å; V36-L140 PolarHBondContact O-N 3.43Å |
| 37 | A | 95.1 | Very high | 95.4 | Very high | 34 Ų | 34 | 61.3 Ų | 61.3 | 28% | 0.281 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 155.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | G39 D40 L140 | A37-G39 PolarHBondContact O-N 2.92Å; A37-D40 WeakPolarHBondContact CB-OD2 3.35Å; A37-D40 WeakPolarHBondContact O-CB 3.45Å; A37-D40 PolarHBondContact O-N 3.16Å; A37-D40 VanDerWaalsContact O-N 3.15Å; A37-L140 CarbonylContact C-O 3.58Å; A37-L140 WeakPolarHBondContact CA-O 2.95Å |
| 38 | K | 95.1 | Very high | 95.4 | Very high | 85 Ų | 85 | 61 Ų | 61 | 37% | 0.37 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 123 | 172.2 | -175.8 | -176.7 | -179.4 | 179.1 | 0 | 109.9 | M111 V139 L140 E141 E168 | K38-M111 HydrophobicContact CB-SD 4.36Å; K38-M111 HydrophobicContact CD-CG 4.17Å; K38-M111 HydrophobicContact CD-SD 4.1Å; K38-M111 HydrophobicContact CG-SD 4.36Å; K38-V139 HydrophobicContact CB-CG1 3.92Å; K38-L140 PolarHBondContact N-O 2.84Å; K38-E141 HydrophobicContact CD-CB 4.48Å; K38-E141 HydrophobicContact CD-CG 4.41Å; K38-E141 WeakPolarHBondContact CD-OE1 2.98Å; K38-E141 VanDerWaalsContact CD-OE2 3.25Å; K38-E141 WeakPolarHBondContact CD-OE2 3.28Å; K38-E141 WeakPolarHBondContact CE-OE1 3.48Å; K38-E141 WeakPolarHBondContact CE-OE2 3.34Å; K38-E141 IonicContact NZ-OE1 3.76Å; K38-E141 PolarHBondContact NZ-OE1 2.91Å; K38-E141 IonicContact NZ-OE2 3.32Å; K38-E141 PolarHBondContact NZ-OE2 3.34Å; K38-E168 IonicContact NZ-OE1 2.71Å; K38-E168 PolarHBondContact NZ-OE1 2.8Å |
| 39 | G | 94.3 | Very high | 95.2 | Very high | 42 Ų | 42 | 63.7 Ų | 63.7 | 43% | 0.433 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | -12.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | A37 L109 | A37-G39 PolarHBondContact O-N 2.92Å; G39-L109 PolarHBondContact N-O 3.16Å |
| 40 | D | 95.3 | Very high | 94.8 | Very high | 92 Ų | 92 | 64.2 Ų | 64.2 | 49% | 0.492 | 33% | 0.33 | S | S | . | . | trans | -79.9 | 174 | 172.9 | -72.2 | -16.7 | 0 | 0 | 0 | 111.8 | V36 A37 K108 L109 | V36-D40 HydrophobicContact CG1-CB 3.64Å; A37-D40 WeakPolarHBondContact CB-OD2 3.35Å; A37-D40 WeakPolarHBondContact O-CB 3.45Å; A37-D40 PolarHBondContact O-N 3.16Å; A37-D40 VanDerWaalsContact O-N 3.15Å; D40-K108 WeakPolarHBondContact O-CA 3.17Å; D40-K108 PolarHBondContact O-N 2.87Å; D40-L109 WeakPolarHBondContact O-CB 3.36Å; D40-L109 WeakPolarHBondContact O-CG 3.46Å; D40-L109 PolarHBondContact O-N 2.96Å | ||
| 41 | D | 96.8 | Very high | 94.6 | Very high | 80 Ų | 80 | 56.6 Ų | 56.6 | 43% | 0.428 | 30% | 0.298 | S | S | . | . | trans | -105.5 | 150.1 | 177.4 | -65.5 | -0.9 | 0 | 0 | 0 | 110.9 | L105 L106 K107 K108 | D41-L105 HydrophobicContact CB-CD1 4.34Å; D41-L106 CarbonylContact C-O 3.58Å; D41-L106 WeakPolarHBondContact CA-O 3.1Å; D41-K107 HydrophobicContact CB-CG 4.48Å; D41-K107 WeakPolarHBondContact OD1-CA 3.37Å; D41-K107 VanDerWaalsContact OD1-CB 3.32Å; D41-K107 WeakPolarHBondContact OD1-CB 3.46Å; D41-K107 WeakPolarHBondContact OD2-CG 3.33Å; D41-K108 PolarHBondContact OD1-N 2.98Å | ||
| 42 | V | 96.6 | Very high | 94 | Very high | 8 Ų | 8 | 58.3 Ų | 58.3 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.7 | 174.3 | 67.7 | 0 | 0 | 0 | 0 | 112.3 | Y34 V36 L44 L105 L106 L109 | Y34-V42 HydrophobicContact CD1-CG2 3.92Å; Y34-V42 HydrophobicContact CG-CG2 4.26Å; V36-V42 HydrophobicContact CG2-CB 4.07Å; V36-V42 HydrophobicContact CG2-CG2 3.88Å; V42-L44 HydrophobicContact CG2-CD2 3.94Å; V42-L105 WeakPolarHBondContact O-CA 3.36Å; V42-L106 HydrophobicContact CG1-CB 3.98Å; V42-L106 PolarHBondContact N-O 2.94Å; V42-L106 PolarHBondContact O-N 2.83Å; V42-L109 HydrophobicContact CB-CD1 3.94Å; V42-L109 HydrophobicContact CG1-CD1 3.77Å; V42-L109 HydrophobicContact CG1-CD2 3.95Å; V42-L109 HydrophobicContact CG1-CG 4.22Å |
| 43 | T | 96.5 | Very high | 93.4 | Very high | 67 Ų | 67 | 54.3 Ų | 54.3 | 41% | 0.411 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 114.8 | 173 | -51.2 | 0 | 0 | 0 | 0 | 110.1 | T103 L104 | T43-T103 HydrophobicContact CG2-CG2 4.1Å; T43-L104 WeakPolarHBondContact CA-O 3.34Å |
| 44 | L | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 118.9 | 174.5 | -51.3 | -178.4 | 0 | 0 | 0 | 109 | Y34 V42 W62 T103 L104 Y117 T135 V137 | Y34-L44 HydrophobicContact CD1-CD2 4.11Å; Y34-L44 HydrophobicContact CD2-CD2 3.45Å; Y34-L44 VanDerWaalsContact CD2-CD2 3.45Å; Y34-L44 HydrophobicContact CE1-CD2 4.19Å; Y34-L44 HydrophobicContact CE2-CD2 3.56Å; Y34-L44 HydrophobicContact CG-CD2 3.74Å; V42-L44 HydrophobicContact CG2-CD2 3.94Å; L44-W62 HydrophobicContact CB-CH2 3.5Å; L44-W62 HydrophobicContact CB-CZ2 3.9Å; L44-W62 HydrophobicContact CB-CZ3 4Å; L44-W62 HydrophobicContact CD1-CE3 4.48Å; L44-W62 HydrophobicContact CD1-CH2 4.41Å; L44-W62 HydrophobicContact CD1-CZ3 4.04Å; L44-W62 WeakPolarHBondContact O-CZ2 3.23Å; L44-T103 WeakPolarHBondContact O-CA 3.48Å; L44-L104 HydrophobicContact CB-CB 4.48Å; L44-L104 HydrophobicContact CD1-CD2 4.49Å; L44-L104 PolarHBondContact N-O 2.85Å; L44-L104 PolarHBondContact O-N 3.17Å; L44-Y117 HydrophobicContact CD1-CD1 4.26Å; L44-Y117 HydrophobicContact CD1-CD2 4.32Å; L44-Y117 HydrophobicContact CD1-CG 3.99Å; L44-T135 HydrophobicContact CD2-CG2 4.46Å; L44-V137 HydrophobicContact CD1-CG2 4.04Å; L44-V137 HydrophobicContact CD2-CG2 3.84Å |
| 45 | T | 96.6 | Very high | 91.5 | Very high | 46 Ų | 46 | 59.6 Ų | 59.6 | 28% | 0.282 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 118.6 | -177.2 | -52 | 0 | 0 | 0 | 0 | 110.8 | T103 | T45-T103 HydrophobicContact CG2-CG2 3.93Å |
| 46 | C | 96.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.8 | 175 | 174.8 | 0 | 0 | 0 | 0 | 109.5 | V27 S28 I29 W62 E101 A102 C119 | V27-C46 WeakPolarHBondContact CG1-SG 3.32Å; S28-C46 WeakPolarHBondContact O-CA 3.35Å; I29-C46 HydrophobicContact CG1-CB 4.27Å; C46-W62 HydrophobicContact CB-CH2 4.08Å; C46-W62 HydrophobicContact CB-CZ2 3.47Å; C46-W62 VanDerWaalsContact CB-CZ2 3.47Å; C46-E101 CarbonylContact O-C 3.51Å; C46-A102 HydrophobicContact CB-CB 4.4Å; C46-A102 PolarHBondContact N-O 2.57Å; C46-A102 PolarHBondContact O-N 3.27Å; C46-C119 HydrophobicContact CB-CB 3.56Å; C46-C119 WeakPolarHBondContact CB-SG 3.43Å; C46-C119 WeakPolarHBondContact SG-CB 3.49Å; C46-C119 CovalentContact SG-SG 2.04Å; C46-C119 PolarHBondContact SG-SG 2.92Å |
| 47 | S | 95.8 | Very high | 89.7 | Confident | 44 Ų | 44 | 61.8 Ų | 61.8 | 31% | 0.308 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.2 | 175.8 | 40 | 0 | 0 | 0 | 0 | 110.1 | S28 G100 | S28-S47 PolarHBondContact N-O 3.39Å; S28-S47 PolarHBondContact O-N 2.92Å; S28-S47 PolarHBondContact O-OG 3.29Å; S28-S47 PolarHBondContact OG-O 3.33Å; S28-S47 PolarHBondContact OG-OG 2.96Å; S47-G100 CarbonylContact C-O 3.59Å; S47-G100 WeakPolarHBondContact CA-O 3.16Å |
| 48 | F | 93 | Very high | 89.4 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 1% | 0.013 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 129.3 | -176.9 | 63.7 | -87.3 | 0 | 0 | 0 | 111.7 | Q26 V27 I54 F58 L60 V95 G100 A102 V121 | Q26-F48 WeakPolarHBondContact O-CA 3.34Å; V27-F48 HydrophobicContact CG2-CB 4.17Å; F48-I54 HydrophobicContact CE2-CD1 4.03Å; F48-F58 HydrophobicContact CE2-CE2 4.35Å; F48-F58 HydrophobicContact CZ-CE2 4.3Å; F48-F58 HydrophobicContact CZ-CZ 4.31Å; F48-L60 HydrophobicContact CD1-CD1 3.99Å; F48-L60 HydrophobicContact CE1-CD1 3.79Å; F48-L60 HydrophobicContact CZ-CD1 4.48Å; F48-V95 HydrophobicContact CE1-CG1 4.42Å; F48-V95 HydrophobicContact CZ-CG1 4.39Å; F48-G100 WeakPolarHBondContact CD1-O 3.45Å; F48-G100 VanDerWaalsContact CE1-C 3.47Å; F48-G100 PolarHBondContact N-O 2.95Å; F48-G100 WeakPolarHBondContact O-CA 3.45Å; F48-A102 HydrophobicContact CE1-CB 4.27Å; F48-V121 HydrophobicContact CB-CG2 4.03Å; F48-V121 HydrophobicContact CD1-CG2 4.42Å; F48-V121 HydrophobicContact CD2-CG1 4.24Å; F48-V121 HydrophobicContact CG-CG1 4.38Å; F48-V121 HydrophobicContact CG-CG2 4.21Å |
| 49 | I | 91 | Very high | 89.2 | Confident | 109 Ų | 109 | 58.4 Ų | 58.4 | 56% | 0.559 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 110.9 | 176.1 | -55.7 | 176 | 0 | 0 | 0 | 107.7 | V25 Q26 | V25-I49 WeakPolarHBondContact CA-O 3.39Å; Q26-I49 HydrophobicContact CB-CB 4.43Å; Q26-I49 PolarHBondContact N-O 3.43Å; Q26-I49 PolarHBondContact O-N 2.97Å |
| 50 | P | 88.7 | Confident | 89.2 | Confident | 37 Ų | 37 | 56.4 Ų | 56.4 | 24% | 0.24 | 31% | 0.309 | C | S | . | . | trans | -78.9 | 155.5 | 177 | 34.9 | -36.9 | 0 | 0 | 0 | 111.2 | N52 I54 I123 | P50-N52 VanDerWaalsContact C-N 3.3Å; P50-N52 WeakPolarHBondContact CB-O 3.5Å; P50-N52 PolarHBondContact O-N 3.27Å; P50-I54 HydrophobicContact CB-CD1 4.33Å; P50-I54 HydrophobicContact CB-CG1 4.1Å; P50-I54 HydrophobicContact CG-CD1 4.31Å; P50-I54 HydrophobicContact CG-CG1 4.16Å; P50-I123 HydrophobicContact CB-CD1 3.61Å | ||
| 51 | A | 85.8 | Confident | 89.1 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 7% | 0.066 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -64.3 | -38.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | R23 D126 | R23-A51 VanDerWaalsContact C-CB 3.42Å; R23-A51 HydrophobicContact CB-CB 3.78Å; R23-A51 WeakPolarHBondContact O-CB 3.35Å; A51-D126 VanDerWaalsContact CB-CG 3.49Å; A51-D126 VanDerWaalsContact CB-OD1 3.31Å; A51-D126 WeakPolarHBondContact CB-OD1 3.33Å; A51-D126 WeakPolarHBondContact CB-OD2 3.31Å; A51-D126 PolarHBondContact N-OD2 2.76Å |
| 52 | N | 82.6 | Confident | 89 | Confident | 112 Ų | 112 | 48.7 Ų | 48.7 | 60% | 0.599 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -131.9 | 152 | -176.7 | -68.2 | -80.1 | 0 | 0 | 0 | 109.4 | P50 I54 | P50-N52 VanDerWaalsContact C-N 3.3Å; P50-N52 WeakPolarHBondContact CB-O 3.5Å; P50-N52 PolarHBondContact O-N 3.27Å; N52-I54 PolarHBondContact O-N 2.93Å |
| 53 | P | 82 | Confident | 88.8 | Confident | 102 Ų | 102 | 49.6 Ų | 49.6 | 66% | 0.662 | 27% | 0.274 | S | S | * | . | trans | -54.7 | 130.6 | 173 | -25.3 | 34.7 | 0 | 0 | 0 | 111.5 | K55 | P53-K55 PolarHBondContact O-N 3.47Å; P53-K55 VanDerWaalsContact O-N 3.13Å | ||
| 54 | I | 80.3 | Confident | 88.6 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 21% | 0.205 | 26% | 0.259 | C | S | . | . | trans | -69.1 | 109.4 | -174.5 | -62.3 | 173.2 | 0 | 0 | 0 | 109.3 | F48 P50 N52 N56 F58 V97 I123 | F48-I54 HydrophobicContact CE2-CD1 4.03Å; P50-I54 HydrophobicContact CB-CD1 4.33Å; P50-I54 HydrophobicContact CB-CG1 4.1Å; P50-I54 HydrophobicContact CG-CD1 4.31Å; P50-I54 HydrophobicContact CG-CG1 4.16Å; N52-I54 PolarHBondContact O-N 2.93Å; I54-N56 WeakPolarHBondContact CG2-O 3.47Å; I54-F58 HydrophobicContact CD1-CD1 4.2Å; I54-F58 HydrophobicContact CD1-CE1 4.25Å; I54-F58 HydrophobicContact CD1-CG 4.32Å; I54-F58 HydrophobicContact CD1-CZ 4.44Å; I54-F58 HydrophobicContact CG2-CB 4.4Å; I54-F58 HydrophobicContact CG2-CD1 3.66Å; I54-F58 HydrophobicContact CG2-CE1 4.27Å; I54-F58 HydrophobicContact CG2-CG 4.28Å; I54-V97 HydrophobicContact CB-CG1 4.49Å; I54-V97 HydrophobicContact CD1-CG1 4.14Å; I54-I123 HydrophobicContact CD1-CD1 3.9Å; I54-I123 HydrophobicContact CD1-CG1 4.46Å; I54-I123 HydrophobicContact CG1-CD1 4.12Å | ||
| 55 | K | 72.4 | Confident | 88.2 | Confident | 183 Ų | 183 | 50.3 Ų | 50.3 | 80% | 0.796 | 28% | 0.278 | S | S | * | . | trans | -110.6 | -16 | 179.7 | -69.6 | 172.3 | -174.5 | 177.7 | 0 | 113.9 | P53 | P53-K55 PolarHBondContact O-N 3.47Å; P53-K55 VanDerWaalsContact O-N 3.13Å | ||
| 56 | N | 74.5 | Confident | 87.3 | Confident | 100 Ų | 100 | 51.7 Ų | 51.7 | 54% | 0.535 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -116.4 | 167.1 | -177.1 | -64 | -8 | 0 | 0 | 0 | 109.2 | I54 F58 | I54-N56 WeakPolarHBondContact CG2-O 3.47Å; N56-F58 PolarHBondContact O-N 3.33Å |
| 57 | N | 79.9 | Confident | 86.2 | Confident | 106 Ų | 106 | 54.5 Ų | 54.5 | 57% | 0.567 | 32% | 0.318 | S | S | * | . | trans | -56.1 | 129.9 | 171.1 | -68.9 | 14.4 | 0 | 0 | 0 | 110.7 | P124 | N57-P124 VanDerWaalsContact O-CD 3.24Å; N57-P124 WeakPolarHBondContact O-CD 3.45Å; N57-P124 WeakPolarHBondContact O-CG 3.37Å | ||
| 58 | F | 88.7 | Confident | 84.5 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.009 | 34% | 0.344 | C | S | . | . | trans | -119.7 | 165 | 167.8 | 81.8 | -76.1 | 0 | 0 | 0 | 109.7 | F48 I54 N56 L60 F75 L77 V95 V97 V121 R122 I123 | F48-F58 HydrophobicContact CE2-CE2 4.35Å; F48-F58 HydrophobicContact CZ-CE2 4.3Å; F48-F58 HydrophobicContact CZ-CZ 4.31Å; I54-F58 HydrophobicContact CD1-CD1 4.2Å; I54-F58 HydrophobicContact CD1-CE1 4.25Å; I54-F58 HydrophobicContact CD1-CG 4.32Å; I54-F58 HydrophobicContact CD1-CZ 4.44Å; I54-F58 HydrophobicContact CG2-CB 4.4Å; I54-F58 HydrophobicContact CG2-CD1 3.66Å; I54-F58 HydrophobicContact CG2-CE1 4.27Å; I54-F58 HydrophobicContact CG2-CG 4.28Å; N56-F58 PolarHBondContact O-N 3.33Å; F58-L60 HydrophobicContact CE2-CB 4.02Å; F58-L60 HydrophobicContact CE2-CD1 4.5Å; F58-F75 AromaticContact CE1-CE1 3.93Å; F58-F75 HydrophobicContact CE1-CE1 3.93Å; F58-F75 HydrophobicContact CZ-CD1 4.1Å; F58-F75 AromaticContact CZ-CE1 3.78Å; F58-F75 HydrophobicContact CZ-CE1 3.78Å; F58-L77 HydrophobicContact CD1-CB 4.19Å; F58-L77 HydrophobicContact CD1-CD1 4.5Å; F58-L77 HydrophobicContact CE1-CB 4.48Å; F58-L77 HydrophobicContact CE1-CD1 4.17Å; F58-L77 PolarHBondContact O-N 2.93Å; F58-V95 HydrophobicContact CZ-CG1 4.33Å; F58-V97 HydrophobicContact CE1-CG1 4.13Å; F58-V97 HydrophobicContact CE1-CG2 3.99Å; F58-V97 HydrophobicContact CZ-CG1 4.46Å; F58-V97 HydrophobicContact CZ-CG2 4.05Å; F58-V121 HydrophobicContact CD2-CG1 4.04Å; F58-V121 HydrophobicContact CE2-CG1 4.28Å; F58-R122 WeakPolarHBondContact CA-O 3.33Å; F58-R122 WeakPolarHBondContact CB-O 3.45Å; F58-I123 HydrophobicContact CB-CG1 3.87Å; F58-I123 HydrophobicContact CD2-CG1 4.42Å; F58-I123 HydrophobicContact CG-CG1 4.44Å | ||
| 59 | V | 90.9 | Very high | 82.8 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 28% | 0.279 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 133.5 | 176.1 | -170.3 | 0 | 0 | 0 | 0 | 108.9 | F75 F76 R122 | V59-F75 WeakPolarHBondContact CA-O 3.24Å; V59-F76 HydrophobicContact CB-CD1 4.33Å; V59-F76 HydrophobicContact CB-CE1 4.36Å; V59-F76 HydrophobicContact CG1-CD1 3.89Å; V59-F76 HydrophobicContact CG1-CE1 3.61Å; V59-F76 HydrophobicContact CG1-CZ 4.07Å; V59-F76 HydrophobicContact CG2-CD1 3.67Å; V59-F76 HydrophobicContact CG2-CE1 3.79Å; V59-R122 PolarHBondContact N-O 2.95Å; V59-R122 PolarHBondContact O-N 2.87Å |
| 60 | L | 93.6 | Very high | 81.6 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 125.9 | 169.2 | -175.8 | 149.9 | 0 | 0 | 0 | 108.4 | F48 F58 S74 F75 L93 V95 A102 S120 V121 | F48-L60 HydrophobicContact CD1-CD1 3.99Å; F48-L60 HydrophobicContact CE1-CD1 3.79Å; F48-L60 HydrophobicContact CZ-CD1 4.48Å; F58-L60 HydrophobicContact CE2-CB 4.02Å; F58-L60 HydrophobicContact CE2-CD1 4.5Å; L60-S74 CarbonylContact O-C 3.5Å; L60-S74 WeakPolarHBondContact O-CA 3.36Å; L60-F75 HydrophobicContact CB-CB 4.46Å; L60-F75 PolarHBondContact N-O 3.41Å; L60-F75 PolarHBondContact O-N 2.92Å; L60-L93 HydrophobicContact CD2-CD1 4.33Å; L60-L93 HydrophobicContact CD2-CD2 4.14Å; L60-V95 HydrophobicContact CD1-CG1 4.47Å; L60-V95 HydrophobicContact CD2-CG2 4.39Å; L60-A102 HydrophobicContact CD1-CB 3.42Å; L60-A102 VanDerWaalsContact CD1-CB 3.42Å; L60-A102 HydrophobicContact CD2-CB 3.88Å; L60-A102 HydrophobicContact CG-CB 4.33Å; L60-S120 CarbonylContact C-O 3.54Å; L60-S120 WeakPolarHBondContact CA-O 3.07Å; L60-V121 HydrophobicContact CD1-CG2 3.78Å; L60-V121 HydrophobicContact CG-CG2 4.04Å |
| 61 | A | 94 | Very high | 81.3 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 8% | 0.083 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 134.9 | 179 | 0 | 0 | 0 | 0 | 0 | 110.5 | A71 S120 | A61-A71 HydrophobicContact CB-CB 4.48Å; A61-S120 PolarHBondContact N-O 3.36Å; A61-S120 PolarHBondContact O-N 3.05Å; A61-S120 PolarHBondContact O-OG 3.33Å |
| 62 | W | 94.6 | Very high | 81.6 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 117.6 | 164.3 | -82.1 | 94.1 | 0 | 0 | 0 | 108.4 | I29 L44 C46 A71 V72 A73 L104 Q118 C119 T135 | I29-W62 HydrophobicContact CD1-CH2 3.72Å; I29-W62 HydrophobicContact CD1-CZ3 3.89Å; I29-W62 HydrophobicContact CG1-CH2 4.27Å; L44-W62 HydrophobicContact CB-CH2 3.5Å; L44-W62 HydrophobicContact CB-CZ2 3.9Å; L44-W62 HydrophobicContact CB-CZ3 4Å; L44-W62 HydrophobicContact CD1-CE3 4.48Å; L44-W62 HydrophobicContact CD1-CH2 4.41Å; L44-W62 HydrophobicContact CD1-CZ3 4.04Å; L44-W62 WeakPolarHBondContact O-CZ2 3.23Å; C46-W62 HydrophobicContact CB-CH2 4.08Å; C46-W62 HydrophobicContact CB-CZ2 3.47Å; C46-W62 VanDerWaalsContact CB-CZ2 3.47Å; W62-A71 CarbonylContact O-C 3.58Å; W62-V72 HydrophobicContact CB-CB 4.45Å; W62-V72 WeakPolarHBondContact O-CB 3.46Å; W62-V72 PolarHBondContact O-N 2.92Å; W62-A73 PolarHBondContact N-O 2.93Å; W62-A73 PolarHBondContact O-N 2.93Å; W62-L104 HydrophobicContact CB-CD2 3.77Å; W62-L104 HydrophobicContact CD2-CB 4.14Å; W62-L104 HydrophobicContact CD2-CD2 3.92Å; W62-L104 HydrophobicContact CE3-CD2 4.33Å; W62-L104 HydrophobicContact CG-CB 4.12Å; W62-L104 HydrophobicContact CG-CD2 3.7Å; W62-L104 HydrophobicContact CG-CG 4.48Å; W62-L104 HydrophobicContact CZ2-CB 4.37Å; W62-Q118 CarbonylContact C-O 3.6Å; W62-Q118 VanDerWaalsContact CA-O 3.26Å; W62-Q118 WeakPolarHBondContact CA-O 3.42Å; W62-C119 HydrophobicContact CD2-CB 4.06Å; W62-C119 HydrophobicContact CE3-CB 4.08Å; W62-C119 HydrophobicContact CH2-CB 4.03Å; W62-C119 HydrophobicContact CZ2-CB 4.01Å; W62-C119 HydrophobicContact CZ3-CB 4.05Å; W62-T135 HydrophobicContact CZ3-CG2 4.34Å |
| 63 | D | 91.9 | Very high | 82.1 | Confident | 27 Ų | 27 | 59 Ų | 59 | 14% | 0.144 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 170.6 | 179.7 | -40.1 | -63.5 | 0 | 0 | 0 | 112.1 | A71 Y117 Q118 | D63-A71 WeakPolarHBondContact OD1-CA 3.39Å; D63-A71 WeakPolarHBondContact OD1-CB 3.42Å; D63-Y117 CarbonylContact O-C 3.49Å; D63-Y117 WeakPolarHBondContact O-CA 3.41Å; D63-Q118 HydrophobicContact CB-CG 3.7Å; D63-Q118 PolarHBondContact N-O 3.4Å; D63-Q118 PolarHBondContact O-N 3.47Å; D63-Q118 PolarHBondContact OD2-NE2 3.02Å |
| 64 | V | 91.1 | Very high | 82.7 | Confident | 14 Ų | 14 | 54.8 Ų | 54.8 | 9% | 0.085 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 124.6 | 166.2 | 174.6 | 0 | 0 | 0 | 0 | 109.5 | G66 V67 V72 R115 Y117 | V64-G66 PolarHBondContact O-N 3.4Å; V64-V67 HydrophobicContact CB-CB 4.3Å; V64-V67 HydrophobicContact CB-CG2 4.25Å; V64-V67 HydrophobicContact CG1-CB 4.33Å; V64-V67 HydrophobicContact CG1-CG2 3.77Å; V64-V67 PolarHBondContact O-N 3.45Å; V64-V72 HydrophobicContact CG2-CG2 3.9Å; V64-R115 HydrophobicContact CG1-CB 4.16Å; V64-R115 HydrophobicContact CG1-CG 4.5Å; V64-Y117 HydrophobicContact CG2-CE1 4.37Å |
| 65 | V | 88.8 | Confident | 83.3 | Confident | 67 Ų | 67 | 54.3 Ų | 54.3 | 41% | 0.406 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 130.1 | 177.8 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | H116 Q118 | V65-H116 HydrophobicContact CB-CB 3.93Å; V65-H116 HydrophobicContact CG2-CB 4.03Å; V65-H116 PolarHBondContact N-O 2.93Å; V65-Q118 HydrophobicContact CG2-CB 3.97Å; V65-Q118 HydrophobicContact CG2-CG 4.19Å |
| 66 | G | 78.1 | Confident | 84.1 | Confident | 75 Ų | 75 | 49.8 Ų | 49.8 | 77% | 0.773 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -2.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | V64 P68 | V64-G66 PolarHBondContact O-N 3.4Å; G66-P68 WeakPolarHBondContact O-CD 3.37Å |
| 67 | V | 73.6 | Confident | 84.6 | Confident | 59 Ų | 59 | 46.7 Ų | 46.7 | 36% | 0.358 | 28% | 0.283 | S | S | . | . | trans | -110.2 | 95.2 | 175.1 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | V64 S69 | V64-V67 HydrophobicContact CB-CB 4.3Å; V64-V67 HydrophobicContact CB-CG2 4.25Å; V64-V67 HydrophobicContact CG1-CB 4.33Å; V64-V67 HydrophobicContact CG1-CG2 3.77Å; V64-V67 PolarHBondContact O-N 3.45Å; V67-S69 PolarHBondContact O-N 3.43Å | ||
| 68 | P | 58.2 | Low | 84.7 | Confident | 131 Ų | 131 | 48.5 Ų | 48.5 | 85% | 0.851 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 13 | -158.4 | 31.5 | -38.6 | 0 | 0 | 0 | 116.3 | G66 | G66-P68 WeakPolarHBondContact O-CD 3.37Š|
| 69 | S | 58.4 | Low | 84.6 | Confident | 106 Ų | 106 | 51.2 Ų | 51.2 | 74% | 0.741 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -153.4 | 9.2 | -168.3 | 58.4 | 0 | 0 | 0 | 0 | 116.9 | V67 | V67-S69 PolarHBondContact O-N 3.43Š|
| 70 | K | 66.2 | Low | 84.4 | Confident | 141 Ų | 141 | 54.5 Ų | 54.5 | 61% | 0.613 | 34% | 0.335 | S | S | * | . | trans | -140.2 | 104.9 | 173.6 | -69 | -169.3 | 177.7 | -176.3 | 0 | 111.9 | ||||
| 71 | A | 82.5 | Confident | 84.3 | Confident | 27 Ų | 27 | 57 Ų | 57 | 22% | 0.223 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 151.1 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | A61 W62 D63 S74 A84 | A61-A71 HydrophobicContact CB-CB 4.48Å; W62-A71 CarbonylContact O-C 3.58Å; D63-A71 WeakPolarHBondContact OD1-CA 3.39Å; D63-A71 WeakPolarHBondContact OD1-CB 3.42Å; A71-S74 WeakPolarHBondContact CB-OG 3.29Å; A71-A84 WeakPolarHBondContact O-CB 3.16Å |
| 72 | V | 91.8 | Very high | 84.2 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.006 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | -47.9 | 169.6 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | W62 V64 A84 Y87 L104 L106 Y117 | W62-V72 HydrophobicContact CB-CB 4.45Å; W62-V72 WeakPolarHBondContact O-CB 3.46Å; W62-V72 PolarHBondContact O-N 2.92Å; V64-V72 HydrophobicContact CG2-CG2 3.9Å; V72-A84 PolarHBondContact O-N 3.33Å; V72-Y87 HydrophobicContact CB-CD2 4.34Å; V72-Y87 HydrophobicContact CB-CE2 4.25Å; V72-Y87 HydrophobicContact CG1-CD1 3.87Å; V72-Y87 HydrophobicContact CG1-CD2 3.79Å; V72-Y87 HydrophobicContact CG1-CE1 3.97Å; V72-Y87 HydrophobicContact CG1-CE2 3.91Å; V72-Y87 HydrophobicContact CG1-CG 3.77Å; V72-Y87 HydrophobicContact CG2-CE2 3.97Å; V72-L104 HydrophobicContact CG1-CD2 3.97Å; V72-L106 HydrophobicContact CG1-CD2 4.13Å; V72-Y117 HydrophobicContact CG2-CD1 4.03Å; V72-Y117 HydrophobicContact CG2-CE1 3.81Å |
| 73 | A | 93.6 | Very high | 84.2 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.008 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 145.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | W62 V81 D82 I83 L93 L104 | W62-A73 PolarHBondContact N-O 2.93Å; W62-A73 PolarHBondContact O-N 2.93Å; A73-V81 HydrophobicContact CB-CG1 4.48Å; A73-D82 CarbonylContact C-O 3.55Å; A73-D82 WeakPolarHBondContact CA-O 3.44Å; A73-I83 HydrophobicContact CB-CG1 4.33Å; A73-L93 HydrophobicContact CB-CB 3.95Å; A73-L93 HydrophobicContact CB-CD2 3.9Å; A73-L104 HydrophobicContact CB-CD1 4.27Å |
| 74 | S | 93.6 | Very high | 84.1 | Confident | 15 Ų | 15 | 62.9 Ų | 62.9 | 11% | 0.105 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 139.2 | 176 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | L60 A71 D82 | L60-S74 CarbonylContact O-C 3.5Å; L60-S74 WeakPolarHBondContact O-CA 3.36Å; A71-S74 WeakPolarHBondContact CB-OG 3.29Å; S74-D82 PolarHBondContact N-O 2.92Å; S74-D82 PolarHBondContact O-N 3.49Å |
| 75 | F | 92.8 | Very high | 84.1 | Confident | 30 Ų | 30 | 67.5 Ų | 67.5 | 13% | 0.132 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.5 | 174.2 | 174.1 | -97.9 | 0 | 0 | 0 | 109.6 | F58 V59 L60 V81 L93 V95 | F58-F75 AromaticContact CE1-CE1 3.93Å; F58-F75 HydrophobicContact CE1-CE1 3.93Å; F58-F75 HydrophobicContact CZ-CD1 4.1Å; F58-F75 AromaticContact CZ-CE1 3.78Å; F58-F75 HydrophobicContact CZ-CE1 3.78Å; V59-F75 WeakPolarHBondContact CA-O 3.24Å; L60-F75 HydrophobicContact CB-CB 4.46Å; L60-F75 PolarHBondContact N-O 3.41Å; L60-F75 PolarHBondContact O-N 2.92Å; F75-V81 HydrophobicContact CD2-CG2 4.07Å; F75-L93 HydrophobicContact CB-CD2 4.04Å; F75-V95 HydrophobicContact CB-CG2 3.97Å; F75-V95 HydrophobicContact CD1-CB 4.17Å; F75-V95 HydrophobicContact CD1-CG1 4.07Å; F75-V95 HydrophobicContact CD1-CG2 4.03Å; F75-V95 HydrophobicContact CD2-CB 4.41Å; F75-V95 HydrophobicContact CD2-CG2 4.17Å; F75-V95 HydrophobicContact CE1-CB 4.24Å; F75-V95 HydrophobicContact CE1-CG1 4.03Å; F75-V95 HydrophobicContact CE2-CB 4.47Å; F75-V95 HydrophobicContact CG-CB 4.25Å; F75-V95 HydrophobicContact CG-CG2 3.79Å; F75-V95 HydrophobicContact CZ-CB 4.38Å |
| 76 | F | 90.3 | Very high | 84.1 | Confident | 88 Ų | 88 | 67.8 Ų | 67.8 | 39% | 0.386 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 133.2 | 172.4 | -57.8 | -98.8 | 0 | 0 | 0 | 107.8 | V59 N78 S79 | V59-F76 HydrophobicContact CB-CD1 4.33Å; V59-F76 HydrophobicContact CB-CE1 4.36Å; V59-F76 HydrophobicContact CG1-CD1 3.89Å; V59-F76 HydrophobicContact CG1-CE1 3.61Å; V59-F76 HydrophobicContact CG1-CZ 4.07Å; V59-F76 HydrophobicContact CG2-CD1 3.67Å; V59-F76 HydrophobicContact CG2-CE1 3.79Å; F76-N78 PolarHBondContact O-N 3.42Å; F76-S79 WeakPolarHBondContact O-CB 3.49Å; F76-S79 PolarHBondContact O-N 2.98Å |
| 77 | L | 84.2 | Confident | 84.7 | Confident | 35 Ų | 35 | 64.9 Ų | 64.9 | 18% | 0.183 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 134.9 | 179.9 | -170.6 | 68.5 | 0 | 0 | 0 | 111.2 | F58 S79 | F58-L77 HydrophobicContact CD1-CB 4.19Å; F58-L77 HydrophobicContact CD1-CD1 4.5Å; F58-L77 HydrophobicContact CE1-CB 4.48Å; F58-L77 HydrophobicContact CE1-CD1 4.17Å; F58-L77 PolarHBondContact O-N 2.93Å; L77-S79 PolarHBondContact O-N 3.44Å |
| 78 | N | 82.3 | Confident | 85.5 | Confident | 144 Ų | 144 | 69.1 Ų | 69.1 | 77% | 0.77 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 15.5 | -175.8 | -50.7 | -53.6 | 0 | 0 | 0 | 115.9 | F76 | F76-N78 PolarHBondContact O-N 3.42Š|
| 79 | S | 85.8 | Confident | 87 | Confident | 58 Ų | 58 | 66.8 Ų | 66.8 | 41% | 0.406 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -118.2 | 158.8 | 176.3 | -50.6 | 0 | 0 | 0 | 0 | 110.6 | F76 L77 | F76-S79 WeakPolarHBondContact O-CB 3.49Å; F76-S79 PolarHBondContact O-N 2.98Å; L77-S79 PolarHBondContact O-N 3.44Å |
| 80 | P | 87.4 | Confident | 88.7 | Confident | 116 Ų | 116 | 64.3 Ų | 64.3 | 75% | 0.753 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 156.9 | 164.8 | 29 | -35.8 | 0 | 0 | 0 | 111 | ||
| 81 | V | 91.9 | Very high | 90.1 | Very high | 52 Ų | 52 | 57.9 Ų | 57.9 | 32% | 0.315 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 130.3 | 168.6 | 174.3 | 0 | 0 | 0 | 0 | 109.1 | A73 F75 I83 L93 | A73-V81 HydrophobicContact CB-CG1 4.48Å; F75-V81 HydrophobicContact CD2-CG2 4.07Å; V81-I83 HydrophobicContact CG1-CD1 4.3Å; V81-I83 HydrophobicContact CG1-CG1 3.77Å; V81-L93 HydrophobicContact CG1-CB 3.94Å; V81-L93 HydrophobicContact CG1-CD2 4.4Å |
| 82 | D | 91.8 | Very high | 90.7 | Very high | 98 Ų | 98 | 59.2 Ų | 59.2 | 52% | 0.524 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 133.9 | 167.6 | -178.1 | 29.3 | 0 | 0 | 0 | 109.3 | A73 S74 | A73-D82 CarbonylContact C-O 3.55Å; A73-D82 WeakPolarHBondContact CA-O 3.44Å; S74-D82 PolarHBondContact N-O 2.92Å; S74-D82 PolarHBondContact O-N 3.49Å |
| 83 | I | 93.2 | Very high | 90.9 | Very high | 48 Ų | 48 | 59.6 Ų | 59.6 | 25% | 0.246 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 127.7 | -179 | -58.4 | -175.7 | 0 | 0 | 0 | 107.7 | A73 V81 A91 | A73-I83 HydrophobicContact CB-CG1 4.33Å; V81-I83 HydrophobicContact CG1-CD1 4.3Å; V81-I83 HydrophobicContact CG1-CG1 3.77Å; I83-A91 HydrophobicContact CG2-CB 3.97Å |
| 84 | A | 91.2 | Very high | 90.9 | Very high | 14 Ų | 14 | 65.4 Ų | 65.4 | 12% | 0.116 | 38% | 0.38 | C | S | . | . | trans | -65.2 | 143.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A71 V72 S86 Y87 E88 | A71-A84 WeakPolarHBondContact O-CB 3.16Å; V72-A84 PolarHBondContact O-N 3.33Å; A84-S86 PolarHBondContact O-N 3.49Å; A84-Y87 HydrophobicContact CB-CD2 4.31Å; A84-Y87 CarbonylContact O-C 3.59Å; A84-Y87 WeakPolarHBondContact O-CA 3.39Å; A84-Y87 WeakPolarHBondContact O-CB 3.47Å; A84-Y87 PolarHBondContact O-N 2.92Å; A84-E88 PolarHBondContact O-N 2.98Å | ||
| 85 | P | 89.8 | Confident | 90.8 | Very high | 111 Ų | 111 | 66.2 Ų | 66.2 | 72% | 0.721 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -23.1 | -175.4 | -31.2 | 36.4 | 0 | 0 | 0 | 116.5 | Y87 | P85-Y87 PolarHBondContact O-N 3.08Š|
| 86 | S | 88.8 | Confident | 90.8 | Very high | 74 Ų | 74 | 67.4 Ų | 67.4 | 52% | 0.517 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -3.6 | 173.3 | 54.3 | 0 | 0 | 0 | 0 | 114.4 | A84 R90 | A84-S86 PolarHBondContact O-N 3.49Å; S86-R90 PolarHBondContact O-NE 3.39Å; S86-R90 PolarHBondContact O-NH2 3.41Å; S86-R90 VanDerWaalsContact O-NH2 3.1Å |
| 87 | Y | 91.2 | Very high | 90.7 | Very high | 13 Ų | 13 | 65.6 Ų | 65.6 | 5% | 0.051 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | -0.3 | -177.1 | -66.4 | -78.6 | 0 | 0 | 0 | 112.5 | V72 A84 P85 R90 A91 L106 D113 Y117 | V72-Y87 HydrophobicContact CB-CD2 4.34Å; V72-Y87 HydrophobicContact CB-CE2 4.25Å; V72-Y87 HydrophobicContact CG1-CD1 3.87Å; V72-Y87 HydrophobicContact CG1-CD2 3.79Å; V72-Y87 HydrophobicContact CG1-CE1 3.97Å; V72-Y87 HydrophobicContact CG1-CE2 3.91Å; V72-Y87 HydrophobicContact CG1-CG 3.77Å; V72-Y87 HydrophobicContact CG2-CE2 3.97Å; A84-Y87 HydrophobicContact CB-CD2 4.31Å; A84-Y87 CarbonylContact O-C 3.59Å; A84-Y87 WeakPolarHBondContact O-CA 3.39Å; A84-Y87 WeakPolarHBondContact O-CB 3.47Å; A84-Y87 PolarHBondContact O-N 2.92Å; P85-Y87 PolarHBondContact O-N 3.08Å; Y87-R90 VanDerWaalsContact CD1-NH2 3.3Å; Y87-R90 WeakPolarHBondContact O-CG 3.4Å; Y87-R90 PolarHBondContact O-N 3.31Å; Y87-A91 WeakPolarHBondContact O-CB 3.24Å; Y87-A91 PolarHBondContact O-N 2.93Å; Y87-L106 HydrophobicContact CD1-CD2 3.89Å; Y87-L106 HydrophobicContact CE1-CD2 4.24Å; Y87-D113 WeakPolarHBondContact CE1-OD1 3.47Å; Y87-Y117 PolarHBondContact OH-OH 3.36Å |
| 88 | E | 90.4 | Very high | 90.9 | Very high | 148 Ų | 148 | 71.9 Ų | 71.9 | 69% | 0.692 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 137.8 | 177.8 | -169.1 | 174.2 | -178.2 | 0 | 0 | 111.3 | A84 R90 | A84-E88 PolarHBondContact O-N 2.98Å; E88-R90 PolarHBondContact O-N 2.89Å |
| 89 | G | 90.5 | Very high | 91.3 | Very high | 83 Ų | 83 | 72.4 Ų | 72.4 | 86% | 0.856 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | -8.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 90 | R | 94.3 | Very high | 91.6 | Very high | 54 Ų | 54 | 70 Ų | 70 | 20% | 0.204 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -23.6 | 179 | 71.1 | -178.4 | -168.6 | 110 | -3.1 | 115 | S86 Y87 E88 K107 D113 | S86-R90 PolarHBondContact O-NE 3.39Å; S86-R90 PolarHBondContact O-NH2 3.41Å; S86-R90 VanDerWaalsContact O-NH2 3.1Å; Y87-R90 VanDerWaalsContact CD1-NH2 3.3Å; Y87-R90 WeakPolarHBondContact O-CG 3.4Å; Y87-R90 PolarHBondContact O-N 3.31Å; E88-R90 PolarHBondContact O-N 2.89Å; R90-K107 WeakPolarHBondContact O-CB 2.92Å; R90-K107 WeakPolarHBondContact O-CG 3.12Å; R90-K107 PolarHBondContact O-N 3.09Å; R90-D113 IonicContact CZ-OD1 2.68Å; R90-D113 IonicContact CZ-OD2 2.66Å; R90-D113 VanDerWaalsContact NH1-CG 3.26Å; R90-D113 IonicContact NH1-OD1 2.67Å; R90-D113 PolarHBondContact NH1-OD1 3.12Å; R90-D113 VanDerWaalsContact NH1-OD1 3.08Å; R90-D113 IonicContact NH1-OD2 3.33Å; R90-D113 PolarHBondContact NH1-OD2 3.28Å; R90-D113 IonicContact NH2-OD1 3.61Å; R90-D113 PolarHBondContact NH2-OD1 3.29Å; R90-D113 IonicContact NH2-OD2 3.74Å |
| 91 | A | 95 | Very high | 91.9 | Very high | 5 Ų | 5 | 67.3 Ų | 67.3 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 155.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I83 Y87 L104 L105 L106 | I83-A91 HydrophobicContact CG2-CB 3.97Å; Y87-A91 WeakPolarHBondContact O-CB 3.24Å; Y87-A91 PolarHBondContact O-N 2.93Å; A91-L104 HydrophobicContact CB-CD1 4.3Å; A91-L105 CarbonylContact C-O 3.56Å; A91-L105 VanDerWaalsContact CA-O 3.28Å; A91-L105 WeakPolarHBondContact CA-O 3.47Å; A91-L106 HydrophobicContact CB-CD2 3.69Å |
| 92 | T | 95.1 | Very high | 92 | Very high | 55 Ų | 55 | 64.8 Ų | 64.8 | 34% | 0.337 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 126.8 | 167.2 | -53.7 | 0 | 0 | 0 | 0 | 107.9 | E94 L105 | T92-E94 HydrophobicContact CG2-CG 4.4Å; T92-L105 PolarHBondContact N-O 2.83Å; T92-L105 PolarHBondContact O-N 2.91Å |
| 93 | L | 95.1 | Very high | 92.2 | Very high | 9 Ų | 9 | 61.8 Ų | 61.8 | 5% | 0.047 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 120.7 | 176 | 173.8 | 60.9 | 0 | 0 | 0 | 109 | L60 A73 F75 V81 V95 A102 L104 | L60-L93 HydrophobicContact CD2-CD1 4.33Å; L60-L93 HydrophobicContact CD2-CD2 4.14Å; A73-L93 HydrophobicContact CB-CB 3.95Å; A73-L93 HydrophobicContact CB-CD2 3.9Å; F75-L93 HydrophobicContact CB-CD2 4.04Å; V81-L93 HydrophobicContact CG1-CB 3.94Å; V81-L93 HydrophobicContact CG1-CD2 4.4Å; L93-V95 HydrophobicContact CD1-CG2 4.11Å; L93-V95 HydrophobicContact CD2-CG2 4.44Å; L93-V95 HydrophobicContact CG-CG2 4.02Å; L93-A102 HydrophobicContact CD1-CB 4.5Å; L93-L104 HydrophobicContact CB-CD1 4.33Å; L93-L104 HydrophobicContact CD1-CB 4.34Å |
| 94 | E | 93.7 | Very high | 92.4 | Very high | 124 Ų | 124 | 59.5 Ų | 59.5 | 58% | 0.579 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 138.7 | 173.5 | -65.3 | 173.1 | 172.8 | 0 | 0 | 108.4 | T92 A102 T103 | T92-E94 HydrophobicContact CG2-CG 4.4Å; E94-A102 CarbonylContact O-C 3.6Å; E94-A102 WeakPolarHBondContact O-CA 3.22Å; E94-T103 PolarHBondContact N-O 3.44Å; E94-T103 PolarHBondContact O-N 3.38Å |
| 95 | V | 93.3 | Very high | 92.6 | Very high | 32 Ų | 32 | 61 Ų | 61 | 19% | 0.194 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 117.1 | -177.4 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | F48 F58 L60 F75 L93 V97 A102 | F48-V95 HydrophobicContact CE1-CG1 4.42Å; F48-V95 HydrophobicContact CZ-CG1 4.39Å; F58-V95 HydrophobicContact CZ-CG1 4.33Å; L60-V95 HydrophobicContact CD1-CG1 4.47Å; L60-V95 HydrophobicContact CD2-CG2 4.39Å; F75-V95 HydrophobicContact CB-CG2 3.97Å; F75-V95 HydrophobicContact CD1-CB 4.17Å; F75-V95 HydrophobicContact CD1-CG1 4.07Å; F75-V95 HydrophobicContact CD1-CG2 4.03Å; F75-V95 HydrophobicContact CD2-CB 4.41Å; F75-V95 HydrophobicContact CD2-CG2 4.17Å; F75-V95 HydrophobicContact CE1-CB 4.24Å; F75-V95 HydrophobicContact CE1-CG1 4.03Å; F75-V95 HydrophobicContact CE2-CB 4.47Å; F75-V95 HydrophobicContact CG-CB 4.25Å; F75-V95 HydrophobicContact CG-CG2 3.79Å; F75-V95 HydrophobicContact CZ-CB 4.38Å; L93-V95 HydrophobicContact CD1-CG2 4.11Å; L93-V95 HydrophobicContact CD2-CG2 4.44Å; L93-V95 HydrophobicContact CG-CG2 4.02Å; V95-V97 HydrophobicContact CG1-CG2 4.26Å; V95-A102 HydrophobicContact CG1-CB 4.44Å; V95-A102 HydrophobicContact CG2-CB 4.09Å |
| 96 | D | 91.6 | Very high | 92.9 | Very high | 54 Ų | 54 | 55.7 Ų | 55.7 | 29% | 0.289 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 99.6 | 175.4 | -174.2 | -26 | 0 | 0 | 0 | 108.5 | D98 R99 G100 E101 | D96-D98 VanDerWaalsContact C-N 3.33Å; D96-D98 PolarHBondContact OD1-N 2.88Å; D96-R99 HydrophobicContact CB-CB 4.34Å; D96-R99 PolarHBondContact OD1-N 3.05Å; D96-R99 WeakPolarHBondContact OD2-CD 3.48Å; D96-R99 WeakPolarHBondContact OD2-CG 3.28Å; D96-R99 IonicContact OD2-CZ 3.98Å; D96-R99 IonicContact OD2-NE 3.99Å; D96-R99 IonicContact OD2-NH1 3.19Å; D96-R99 PolarHBondContact OD2-NH1 3.03Å; D96-G100 WeakPolarHBondContact O-CA 3.12Å; D96-G100 PolarHBondContact O-N 3.26Å; D96-E101 PolarHBondContact N-O 2.8Å; D96-E101 PolarHBondContact O-N 3.34Å |
| 97 | V | 88.5 | Confident | 93.3 | Very high | 50 Ų | 50 | 56.1 Ų | 56.1 | 30% | 0.303 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -29 | -175.2 | -171.4 | 0 | 0 | 0 | 0 | 111.8 | I54 F58 V95 | I54-V97 HydrophobicContact CB-CG1 4.49Å; I54-V97 HydrophobicContact CD1-CG1 4.14Å; F58-V97 HydrophobicContact CE1-CG1 4.13Å; F58-V97 HydrophobicContact CE1-CG2 3.99Å; F58-V97 HydrophobicContact CZ-CG1 4.46Å; F58-V97 HydrophobicContact CZ-CG2 4.05Å; V95-V97 HydrophobicContact CG1-CG2 4.26Å |
| 98 | D | 87.6 | Confident | 93.4 | Very high | 167 Ų | 167 | 62.9 Ų | 62.9 | 89% | 0.893 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -33.1 | -179.1 | -71 | -38 | 0 | 0 | 0 | 111.8 | D96 | D96-D98 VanDerWaalsContact C-N 3.33Å; D96-D98 PolarHBondContact OD1-N 2.88Å |
| 99 | R | 91.2 | Very high | 93.7 | Very high | 155 Ų | 155 | 55.9 Ų | 55.9 | 59% | 0.585 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -14.8 | 172.8 | -68.7 | -179.9 | 44.2 | -120.5 | 2.6 | 114 | D96 E101 | D96-R99 HydrophobicContact CB-CB 4.34Å; D96-R99 PolarHBondContact OD1-N 3.05Å; D96-R99 WeakPolarHBondContact OD2-CD 3.48Å; D96-R99 WeakPolarHBondContact OD2-CG 3.28Å; D96-R99 IonicContact OD2-CZ 3.98Å; D96-R99 IonicContact OD2-NE 3.99Å; D96-R99 IonicContact OD2-NH1 3.19Å; D96-R99 PolarHBondContact OD2-NH1 3.03Å; R99-E101 IonicContact CZ-OE1 3.08Å; R99-E101 IonicContact CZ-OE2 3.54Å; R99-E101 IonicContact NE-OE1 3.71Å; R99-E101 IonicContact NH1-OE2 2.68Å; R99-E101 IonicContact NH2-OE1 3.14Å; R99-E101 PolarHBondContact NH2-OE1 3.33Å; R99-E101 IonicContact NH2-OE2 3.37Å; R99-E101 PolarHBondContact NH2-OE2 3.29Å |
| 100 | G | 91.3 | Very high | 93.9 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 8% | 0.082 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 37 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S47 F48 D96 | S47-G100 CarbonylContact C-O 3.59Å; S47-G100 WeakPolarHBondContact CA-O 3.16Å; F48-G100 WeakPolarHBondContact CD1-O 3.45Å; F48-G100 VanDerWaalsContact CE1-C 3.47Å; F48-G100 PolarHBondContact N-O 2.95Å; F48-G100 WeakPolarHBondContact O-CA 3.45Å; D96-G100 WeakPolarHBondContact O-CA 3.12Å; D96-G100 PolarHBondContact O-N 3.26Å |
| 101 | E | 94.6 | Very high | 93.8 | Very high | 59 Ų | 59 | 55.3 Ų | 55.3 | 28% | 0.276 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 139.1 | -177.9 | -75.1 | 178.3 | -147.6 | 0 | 0 | 111.4 | C46 D96 R99 | C46-E101 CarbonylContact O-C 3.51Å; D96-E101 PolarHBondContact N-O 2.8Å; D96-E101 PolarHBondContact O-N 3.34Å; R99-E101 IonicContact CZ-OE1 3.08Å; R99-E101 IonicContact CZ-OE2 3.54Å; R99-E101 IonicContact NE-OE1 3.71Å; R99-E101 IonicContact NH1-OE2 2.68Å; R99-E101 IonicContact NH2-OE1 3.14Å; R99-E101 PolarHBondContact NH2-OE1 3.33Å; R99-E101 IonicContact NH2-OE2 3.37Å; R99-E101 PolarHBondContact NH2-OE2 3.29Å |
| 102 | A | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 119.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | C46 F48 L60 L93 E94 V95 | C46-A102 HydrophobicContact CB-CB 4.4Å; C46-A102 PolarHBondContact N-O 2.57Å; C46-A102 PolarHBondContact O-N 3.27Å; F48-A102 HydrophobicContact CE1-CB 4.27Å; L60-A102 HydrophobicContact CD1-CB 3.42Å; L60-A102 VanDerWaalsContact CD1-CB 3.42Å; L60-A102 HydrophobicContact CD2-CB 3.88Å; L60-A102 HydrophobicContact CG-CB 4.33Å; L93-A102 HydrophobicContact CD1-CB 4.5Å; E94-A102 CarbonylContact O-C 3.6Å; E94-A102 WeakPolarHBondContact O-CA 3.22Å; V95-A102 HydrophobicContact CG1-CB 4.44Å; V95-A102 HydrophobicContact CG2-CB 4.09Å |
| 103 | T | 95.9 | Very high | 93.6 | Very high | 34 Ų | 34 | 59.3 Ų | 59.3 | 21% | 0.209 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 112.3 | -174.9 | 34.3 | 0 | 0 | 0 | 0 | 110.6 | T43 L44 T45 E94 | T43-T103 HydrophobicContact CG2-CG2 4.1Å; L44-T103 WeakPolarHBondContact O-CA 3.48Å; T45-T103 HydrophobicContact CG2-CG2 3.93Å; E94-T103 PolarHBondContact N-O 3.44Å; E94-T103 PolarHBondContact O-N 3.38Å |
| 104 | L | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 109.2 | 170.8 | 176.1 | 64.2 | 0 | 0 | 0 | 109.2 | T43 L44 W62 V72 A73 A91 L93 L106 | T43-L104 WeakPolarHBondContact CA-O 3.34Å; L44-L104 HydrophobicContact CB-CB 4.48Å; L44-L104 HydrophobicContact CD1-CD2 4.49Å; L44-L104 PolarHBondContact N-O 2.85Å; L44-L104 PolarHBondContact O-N 3.17Å; W62-L104 HydrophobicContact CB-CD2 3.77Å; W62-L104 HydrophobicContact CD2-CB 4.14Å; W62-L104 HydrophobicContact CD2-CD2 3.92Å; W62-L104 HydrophobicContact CE3-CD2 4.33Å; W62-L104 HydrophobicContact CG-CB 4.12Å; W62-L104 HydrophobicContact CG-CD2 3.7Å; W62-L104 HydrophobicContact CG-CG 4.48Å; W62-L104 HydrophobicContact CZ2-CB 4.37Å; V72-L104 HydrophobicContact CG1-CD2 3.97Å; A73-L104 HydrophobicContact CB-CD1 4.27Å; A91-L104 HydrophobicContact CB-CD1 4.3Å; L93-L104 HydrophobicContact CB-CD1 4.33Å; L93-L104 HydrophobicContact CD1-CB 4.34Å; L104-L106 HydrophobicContact CD1-CD2 4.15Å; L104-L106 HydrophobicContact CD2-CD1 4.47Å; L104-L106 HydrophobicContact CD2-CD2 4.28Å; L104-L106 HydrophobicContact CD2-CG 4.3Å; L104-L106 HydrophobicContact CG-CD2 4.18Å; L104-L106 HydrophobicContact CG-CG 4.15Å |
| 105 | L | 96.3 | Very high | 93.5 | Very high | 45 Ų | 45 | 59 Ų | 59 | 24% | 0.236 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 124 | 168.9 | 175.6 | 58.4 | 0 | 0 | 0 | 109.1 | D41 V42 A91 T92 K107 | D41-L105 HydrophobicContact CB-CD1 4.34Å; V42-L105 WeakPolarHBondContact O-CA 3.36Å; A91-L105 CarbonylContact C-O 3.56Å; A91-L105 VanDerWaalsContact CA-O 3.28Å; A91-L105 WeakPolarHBondContact CA-O 3.47Å; T92-L105 PolarHBondContact N-O 2.83Å; T92-L105 PolarHBondContact O-N 2.91Å; L105-K107 HydrophobicContact CD1-CG 4.4Å; L105-K107 HydrophobicContact CG-CG 4.13Å |
| 106 | L | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 120.7 | 171.2 | -65.2 | 178.4 | 0 | 0 | 0 | 109 | D41 V42 V72 Y87 A91 L104 L109 Y117 | D41-L106 CarbonylContact C-O 3.58Å; D41-L106 WeakPolarHBondContact CA-O 3.1Å; V42-L106 HydrophobicContact CG1-CB 3.98Å; V42-L106 PolarHBondContact N-O 2.94Å; V42-L106 PolarHBondContact O-N 2.83Å; V72-L106 HydrophobicContact CG1-CD2 4.13Å; Y87-L106 HydrophobicContact CD1-CD2 3.89Å; Y87-L106 HydrophobicContact CE1-CD2 4.24Å; A91-L106 HydrophobicContact CB-CD2 3.69Å; L104-L106 HydrophobicContact CD1-CD2 4.15Å; L104-L106 HydrophobicContact CD2-CD1 4.47Å; L104-L106 HydrophobicContact CD2-CD2 4.28Å; L104-L106 HydrophobicContact CD2-CG 4.3Å; L104-L106 HydrophobicContact CG-CD2 4.18Å; L104-L106 HydrophobicContact CG-CG 4.15Å; L106-L109 HydrophobicContact CB-CD2 4.43Å; L106-Y117 HydrophobicContact CD1-CE1 3.87Å |
| 107 | K | 95.9 | Very high | 93.7 | Very high | 83 Ų | 83 | 60.4 Ų | 60.4 | 36% | 0.361 | 29% | 0.292 | S | S | . | . | trans | -99.5 | 150.3 | -178.2 | -56.4 | -169.8 | 175.8 | 170.3 | 0 | 112.9 | D41 R90 L105 | D41-K107 HydrophobicContact CB-CG 4.48Å; D41-K107 WeakPolarHBondContact OD1-CA 3.37Å; D41-K107 VanDerWaalsContact OD1-CB 3.32Å; D41-K107 WeakPolarHBondContact OD1-CB 3.46Å; D41-K107 WeakPolarHBondContact OD2-CG 3.33Å; R90-K107 WeakPolarHBondContact O-CB 2.92Å; R90-K107 WeakPolarHBondContact O-CG 3.12Å; R90-K107 PolarHBondContact O-N 3.09Å; L105-K107 HydrophobicContact CD1-CG 4.4Å; L105-K107 HydrophobicContact CG-CG 4.13Å | ||
| 108 | K | 95.1 | Very high | 94 | Very high | 155 Ų | 155 | 59.9 Ų | 59.9 | 67% | 0.674 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 48.9 | 64.8 | 177.1 | -62.2 | -178 | 178.3 | -179.7 | 0 | 112.6 | D40 D41 T110 | D40-K108 WeakPolarHBondContact O-CA 3.17Å; D40-K108 PolarHBondContact O-N 2.87Å; D41-K108 PolarHBondContact OD1-N 2.98Å; K108-T110 PolarHBondContact O-N 2.8Å |
| 109 | L | 95.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | trans | -56.2 | 134.1 | -177.4 | -76.4 | 164.9 | 0 | 0 | 0 | 112.9 | V36 G39 D40 V42 L106 D113 V137 V139 | V36-L109 HydrophobicContact CB-CD1 3.71Å; V36-L109 HydrophobicContact CG1-CD1 3.47Å; V36-L109 VanDerWaalsContact CG1-CD1 3.47Å; V36-L109 HydrophobicContact CG2-CD1 4.47Å; G39-L109 PolarHBondContact N-O 3.16Å; D40-L109 WeakPolarHBondContact O-CB 3.36Å; D40-L109 WeakPolarHBondContact O-CG 3.46Å; D40-L109 PolarHBondContact O-N 2.96Å; V42-L109 HydrophobicContact CB-CD1 3.94Å; V42-L109 HydrophobicContact CG1-CD1 3.77Å; V42-L109 HydrophobicContact CG1-CD2 3.95Å; V42-L109 HydrophobicContact CG1-CG 4.22Å; L106-L109 HydrophobicContact CB-CD2 4.43Å; L109-D113 HydrophobicContact CD2-CB 3.68Å; L109-V137 HydrophobicContact CD2-CG1 4.43Å; L109-V139 HydrophobicContact CB-CG1 4.23Å; L109-V139 HydrophobicContact CB-CG2 4.04Å; L109-V139 HydrophobicContact CD1-CG2 4.44Å; L109-V139 HydrophobicContact CD2-CG2 4.23Å; L109-V139 HydrophobicContact CG-CG2 4.49Å | ||
| 110 | T | 94.7 | Very high | 94.4 | Very high | 57 Ų | 57 | 44.7 Ų | 44.7 | 35% | 0.35 | 22% | 0.217 | S | C | . | . | trans | -107.1 | 162.5 | 175.3 | 68.4 | 0 | 0 | 0 | 0 | 110.2 | K108 E112 D113 V139 | K108-T110 PolarHBondContact O-N 2.8Å; T110-E112 PolarHBondContact O-N 2.96Å; T110-E112 VanDerWaalsContact O-N 3.17Å; T110-D113 WeakPolarHBondContact CB-OD2 3.07Å; T110-D113 PolarHBondContact N-OD2 2.62Å; T110-D113 WeakPolarHBondContact O-CB 3.47Å; T110-D113 PolarHBondContact O-N 3.04Å; T110-D113 PolarHBondContact OG1-OD2 2.67Å; T110-V139 WeakPolarHBondContact O-CG2 3.11Å | ||
| 111 | M | 93.1 | Very high | 94.5 | Very high | 68 Ų | 68 | 44.3 Ų | 44.3 | 34% | 0.335 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -59.4 | -29.3 | 175.7 | -64.1 | -49.2 | -56.6 | 0 | 0 | 112.5 | K38 D113 S114 V139 E141 S170 | K38-M111 HydrophobicContact CB-SD 4.36Å; K38-M111 HydrophobicContact CD-CG 4.17Å; K38-M111 HydrophobicContact CD-SD 4.1Å; K38-M111 HydrophobicContact CG-SD 4.36Å; M111-D113 PolarHBondContact O-N 2.75Å; M111-S114 WeakPolarHBondContact O-CB 3.47Å; M111-S114 PolarHBondContact O-N 2.82Å; M111-S114 PolarHBondContact O-OG 3.38Å; M111-S114 VanDerWaalsContact O-OG 3.13Å; M111-V139 HydrophobicContact CE-CB 4.44Å; M111-V139 WeakPolarHBondContact CE-O 3.41Å; M111-V139 HydrophobicContact SD-CB 4.16Å; M111-V139 HydrophobicContact SD-CG1 3.87Å; M111-E141 HydrophobicContact SD-CB 4.35Å; M111-S170 VanDerWaalsContact CE-CB 3.5Å |
| 112 | E | 91.6 | Very high | 94.3 | Very high | 143 Ų | 143 | 49.5 Ų | 49.5 | 67% | 0.668 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -65.2 | -19.2 | 173.3 | -71.5 | -166.3 | -146.2 | 0 | 0 | 114.2 | T110 S114 R115 | T110-E112 PolarHBondContact O-N 2.96Å; T110-E112 VanDerWaalsContact O-N 3.17Å; E112-S114 PolarHBondContact O-N 3.41Å; E112-R115 WeakPolarHBondContact O-CG 3.46Å; E112-R115 PolarHBondContact O-NE 2.86Å; E112-R115 PolarHBondContact O-NH2 3.42Å; E112-R115 VanDerWaalsContact O-NH2 3.15Å; E112-R115 IonicContact OE2-NH2 2.7Å |
| 113 | D | 93.1 | Very high | 94 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -82.3 | 1 | 175.9 | -58.9 | -62.4 | 0 | 0 | 0 | 112.6 | Y87 R90 L109 T110 M111 R115 Y117 V139 | Y87-D113 WeakPolarHBondContact CE1-OD1 3.47Å; R90-D113 IonicContact CZ-OD1 2.68Å; R90-D113 IonicContact CZ-OD2 2.66Å; R90-D113 VanDerWaalsContact NH1-CG 3.26Å; R90-D113 IonicContact NH1-OD1 2.67Å; R90-D113 PolarHBondContact NH1-OD1 3.12Å; R90-D113 VanDerWaalsContact NH1-OD1 3.08Å; R90-D113 IonicContact NH1-OD2 3.33Å; R90-D113 PolarHBondContact NH1-OD2 3.28Å; R90-D113 IonicContact NH2-OD1 3.61Å; R90-D113 PolarHBondContact NH2-OD1 3.29Å; R90-D113 IonicContact NH2-OD2 3.74Å; L109-D113 HydrophobicContact CD2-CB 3.68Å; T110-D113 WeakPolarHBondContact CB-OD2 3.07Å; T110-D113 PolarHBondContact N-OD2 2.62Å; T110-D113 WeakPolarHBondContact O-CB 3.47Å; T110-D113 PolarHBondContact O-N 3.04Å; T110-D113 PolarHBondContact OG1-OD2 2.67Å; M111-D113 PolarHBondContact O-N 2.75Å; D113-R115 VanDerWaalsContact C-N 3.26Å; D113-R115 PolarHBondContact O-N 3.47Å; D113-Y117 WeakPolarHBondContact O-CE2 3.45Å; D113-Y117 PolarHBondContact O-OH 3.32Å; D113-V139 HydrophobicContact CB-CG2 4.36Å |
| 114 | S | 94.3 | Very high | 93.6 | Very high | 44 Ų | 44 | 52.1 Ų | 52.1 | 31% | 0.308 | 25% | 0.246 | S | C | . | . | trans | -73 | 77.3 | 173.2 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | M111 E112 V137 V139 | M111-S114 WeakPolarHBondContact O-CB 3.47Å; M111-S114 PolarHBondContact O-N 2.82Å; M111-S114 PolarHBondContact O-OG 3.38Å; M111-S114 VanDerWaalsContact O-OG 3.13Å; E112-S114 PolarHBondContact O-N 3.41Å; S114-V137 CarbonylContact C-O 3.59Å; S114-V137 VanDerWaalsContact CA-O 3.24Å; S114-V137 WeakPolarHBondContact CA-O 3.34Å; S114-V139 WeakPolarHBondContact OG-CB 3.45Å; S114-V139 PolarHBondContact OG-N 2.82Å; S114-V139 VanDerWaalsContact OG-N 3.11Å | ||
| 115 | R | 93.1 | Very high | 93 | Very high | 82 Ų | 82 | 59.3 Ų | 59.3 | 31% | 0.309 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -133.6 | 165.4 | -171.9 | -53.5 | -165.7 | -169.6 | -145.9 | -4 | 112.9 | V64 E112 D113 Y117 V137 | V64-R115 HydrophobicContact CG1-CB 4.16Å; V64-R115 HydrophobicContact CG1-CG 4.5Å; E112-R115 WeakPolarHBondContact O-CG 3.46Å; E112-R115 PolarHBondContact O-NE 2.86Å; E112-R115 PolarHBondContact O-NH2 3.42Å; E112-R115 VanDerWaalsContact O-NH2 3.15Å; E112-R115 IonicContact OE2-NH2 2.7Å; D113-R115 VanDerWaalsContact C-N 3.26Å; D113-R115 PolarHBondContact O-N 3.47Å; R115-Y117 HydrophobicContact CB-CD2 4.27Å; R115-Y117 HydrophobicContact CB-CE2 3.8Å; R115-Y117 WeakPolarHBondContact O-CD2 3.32Å; R115-V137 PolarHBondContact N-O 3.17Å; R115-V137 PolarHBondContact O-N 2.89Å |
| 116 | H | 94.8 | Very high | 92.3 | Very high | 115 Ų | 115 | 57.7 Ų | 57.7 | 53% | 0.532 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 113 | 165.8 | -68 | 72.1 | 0 | 0 | 0 | 108.1 | V65 S136 | V65-H116 HydrophobicContact CB-CB 3.93Å; V65-H116 HydrophobicContact CG2-CB 4.03Å; V65-H116 PolarHBondContact N-O 2.93Å; H116-S136 PolarHBondContact CD2-OG 3.39Å; H116-S136 PolarHBondContact NE2-OG 2.83Å |
| 117 | Y | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 148.5 | 176.8 | -68.8 | -99.6 | 0 | 0 | 0 | 109.7 | L44 D63 V64 V72 Y87 L106 D113 R115 S134 T135 V137 | L44-Y117 HydrophobicContact CD1-CD1 4.26Å; L44-Y117 HydrophobicContact CD1-CD2 4.32Å; L44-Y117 HydrophobicContact CD1-CG 3.99Å; D63-Y117 CarbonylContact O-C 3.49Å; D63-Y117 WeakPolarHBondContact O-CA 3.41Å; V64-Y117 HydrophobicContact CG2-CE1 4.37Å; V72-Y117 HydrophobicContact CG2-CD1 4.03Å; V72-Y117 HydrophobicContact CG2-CE1 3.81Å; Y87-Y117 PolarHBondContact OH-OH 3.36Å; L106-Y117 HydrophobicContact CD1-CE1 3.87Å; D113-Y117 WeakPolarHBondContact O-CE2 3.45Å; D113-Y117 PolarHBondContact O-OH 3.32Å; R115-Y117 HydrophobicContact CB-CD2 4.27Å; R115-Y117 HydrophobicContact CB-CE2 3.8Å; R115-Y117 WeakPolarHBondContact O-CD2 3.32Å; Y117-S134 CarbonylContact O-C 3.6Å; Y117-S134 VanDerWaalsContact O-CA 3.28Å; Y117-S134 WeakPolarHBondContact O-CA 3.12Å; Y117-T135 PolarHBondContact N-O 2.87Å; Y117-T135 PolarHBondContact O-N 3.09Å; Y117-T135 VanDerWaalsContact O-O 3.07Å; Y117-V137 HydrophobicContact CD2-CB 4.12Å; Y117-V137 HydrophobicContact CD2-CG2 3.64Å; Y117-V137 HydrophobicContact CE2-CB 3.85Å; Y117-V137 HydrophobicContact CE2-CG2 3.69Å |
| 118 | Q | 94.5 | Very high | 90.6 | Very high | 40 Ų | 40 | 67.1 Ų | 67.1 | 19% | 0.187 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 137.9 | 170.9 | 63.4 | 177.4 | 33.2 | 0 | 0 | 110.5 | W62 D63 V65 I132 A133 | W62-Q118 CarbonylContact C-O 3.6Å; W62-Q118 VanDerWaalsContact CA-O 3.26Å; W62-Q118 WeakPolarHBondContact CA-O 3.42Å; D63-Q118 HydrophobicContact CB-CG 3.7Å; D63-Q118 PolarHBondContact N-O 3.4Å; D63-Q118 PolarHBondContact O-N 3.47Å; D63-Q118 PolarHBondContact OD2-NE2 3.02Å; V65-Q118 HydrophobicContact CG2-CB 3.97Å; V65-Q118 HydrophobicContact CG2-CG 4.19Å; Q118-I132 HydrophobicContact CB-CG2 4.01Å; Q118-A133 CarbonylContact C-O 3.57Å; Q118-A133 VanDerWaalsContact CA-O 3.24Å; Q118-A133 WeakPolarHBondContact CA-O 3.41Å |
| 119 | C | 95.2 | Very high | 90 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 121 | 164 | 177.7 | 0 | 0 | 0 | 0 | 107.4 | V27 I29 C46 W62 I132 A133 | V27-C119 HydrophobicContact CG1-CB 4.38Å; I29-C119 HydrophobicContact CD1-CB 4.14Å; C46-C119 HydrophobicContact CB-CB 3.56Å; C46-C119 WeakPolarHBondContact CB-SG 3.43Å; C46-C119 WeakPolarHBondContact SG-CB 3.49Å; C46-C119 CovalentContact SG-SG 2.04Å; C46-C119 PolarHBondContact SG-SG 2.92Å; W62-C119 HydrophobicContact CD2-CB 4.06Å; W62-C119 HydrophobicContact CE3-CB 4.08Å; W62-C119 HydrophobicContact CH2-CB 4.03Å; W62-C119 HydrophobicContact CZ2-CB 4.01Å; W62-C119 HydrophobicContact CZ3-CB 4.05Å; C119-I132 WeakPolarHBondContact O-CA 3.35Å; C119-A133 PolarHBondContact N-O 2.8Å; C119-A133 PolarHBondContact O-N 2.04Å |
| 120 | S | 93.5 | Very high | 89.7 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 135.5 | 171.9 | 73 | 0 | 0 | 0 | 0 | 110.9 | L60 A61 P131 | L60-S120 CarbonylContact C-O 3.54Å; L60-S120 WeakPolarHBondContact CA-O 3.07Å; A61-S120 PolarHBondContact N-O 3.36Å; A61-S120 PolarHBondContact O-N 3.05Å; A61-S120 PolarHBondContact O-OG 3.33Å; S120-P131 CarbonylContact C-O 3.48Å; S120-P131 WeakPolarHBondContact CA-O 3.5Å |
| 121 | V | 92.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 121.5 | -179.7 | -171.8 | 0 | 0 | 0 | 0 | 108.1 | V27 F48 F58 L60 I123 P131 | V27-V121 HydrophobicContact CG1-CG2 4.07Å; V27-V121 HydrophobicContact CG2-CB 3.65Å; V27-V121 HydrophobicContact CG2-CG2 3.57Å; F48-V121 HydrophobicContact CB-CG2 4.03Å; F48-V121 HydrophobicContact CD1-CG2 4.42Å; F48-V121 HydrophobicContact CD2-CG1 4.24Å; F48-V121 HydrophobicContact CG-CG1 4.38Å; F48-V121 HydrophobicContact CG-CG2 4.21Å; F58-V121 HydrophobicContact CD2-CG1 4.04Å; F58-V121 HydrophobicContact CE2-CG1 4.28Å; L60-V121 HydrophobicContact CD1-CG2 3.78Å; L60-V121 HydrophobicContact CG-CG2 4.04Å; V121-I123 HydrophobicContact CG1-CD1 4.27Å; V121-I123 HydrophobicContact CG1-CG1 4.21Å; V121-P131 PolarHBondContact N-O 3.27Å; V121-P131 VanDerWaalsContact O-CB 3.3Å; V121-P131 WeakPolarHBondContact O-CB 3.14Å |
| 122 | R | 90.4 | Very high | 89.5 | Confident | 168 Ų | 168 | 64.2 Ų | 64.2 | 63% | 0.634 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 108.8 | -175.9 | -57.4 | -173.5 | -170.1 | -165.6 | 3.4 | 109.6 | F58 V59 | F58-R122 WeakPolarHBondContact CA-O 3.33Å; F58-R122 WeakPolarHBondContact CB-O 3.45Å; V59-R122 PolarHBondContact N-O 2.95Å; V59-R122 PolarHBondContact O-N 2.87Å |
| 123 | I | 88.4 | Confident | 89.6 | Confident | 20 Ų | 20 | 58.1 Ų | 58.1 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -112.2 | 128.5 | 179.4 | -61.4 | 168.4 | 0 | 0 | 0 | 107.7 | V25 P50 I54 F58 V121 N125 D126 | V25-I123 HydrophobicContact CG2-CD1 4.1Å; P50-I123 HydrophobicContact CB-CD1 3.61Å; I54-I123 HydrophobicContact CD1-CD1 3.9Å; I54-I123 HydrophobicContact CD1-CG1 4.46Å; I54-I123 HydrophobicContact CG1-CD1 4.12Å; F58-I123 HydrophobicContact CB-CG1 3.87Å; F58-I123 HydrophobicContact CD2-CG1 4.42Å; F58-I123 HydrophobicContact CG-CG1 4.44Å; V121-I123 HydrophobicContact CG1-CD1 4.27Å; V121-I123 HydrophobicContact CG1-CG1 4.21Å; I123-N125 PolarHBondContact O-N 2.87Å; I123-D126 HydrophobicContact CB-CB 3.96Å; I123-D126 HydrophobicContact CG2-CB 3.81Å; I123-D126 PolarHBondContact O-N 3.11Å; I123-D126 VanDerWaalsContact O-N 3.1Å |
| 124 | P | 86.5 | Confident | 89.7 | Confident | 68 Ų | 68 | 61.4 Ų | 61.4 | 44% | 0.442 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 125.9 | -178.9 | -24.7 | 34.5 | 0 | 0 | 0 | 112.6 | N57 D126 | N57-P124 VanDerWaalsContact O-CD 3.24Å; N57-P124 WeakPolarHBondContact O-CD 3.45Å; N57-P124 WeakPolarHBondContact O-CG 3.37Å; P124-D126 VanDerWaalsContact C-N 3.31Å |
| 125 | N | 83.1 | Confident | 89.8 | Confident | 152 Ų | 152 | 59.4 Ų | 59.4 | 81% | 0.813 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 26.8 | -174.8 | -32.4 | -89.6 | 0 | 0 | 0 | 114.2 | I123 | I123-N125 PolarHBondContact O-N 2.87Š|
| 126 | D | 83.1 | Confident | 90 | Very high | 11 Ų | 11 | 56.6 Ų | 56.6 | 6% | 0.059 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -146.6 | 64.5 | 175.4 | -175.6 | 15.6 | 0 | 0 | 0 | 109.6 | S24 V25 A51 I123 P124 | S24-D126 VanDerWaalsContact CA-OD1 3.28Å; S24-D126 WeakPolarHBondContact CA-OD1 3.3Å; V25-D126 WeakPolarHBondContact CG1-O 3.5Å; V25-D126 PolarHBondContact N-OD1 2.82Å; A51-D126 VanDerWaalsContact CB-CG 3.49Å; A51-D126 VanDerWaalsContact CB-OD1 3.31Å; A51-D126 WeakPolarHBondContact CB-OD1 3.33Å; A51-D126 WeakPolarHBondContact CB-OD2 3.31Å; A51-D126 PolarHBondContact N-OD2 2.76Å; I123-D126 HydrophobicContact CB-CB 3.96Å; I123-D126 HydrophobicContact CG2-CB 3.81Å; I123-D126 PolarHBondContact O-N 3.11Å; I123-D126 VanDerWaalsContact O-N 3.1Å; P124-D126 VanDerWaalsContact C-N 3.31Å |
| 127 | D | 73.8 | Confident | 90 | Very high | 115 Ų | 115 | 51.4 Ų | 51.4 | 62% | 0.615 | 28% | 0.279 | S | S | * | . | trans | -123.7 | -6.8 | -177.1 | 61 | -31.7 | 0 | 0 | 0 | 114.3 | G129 | D127-G129 PolarHBondContact O-N 3.05Š| ||
| 128 | E | 81.8 | Confident | 90.1 | Very high | 165 Ų | 165 | 53.4 Ų | 53.4 | 77% | 0.771 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -67.8 | 9.3 | 177.5 | -57.7 | -171.6 | 164.2 | 0 | 0 | 115.1 | ||
| 129 | G | 82.8 | Confident | 90.2 | Very high | 27 Ų | 27 | 51.5 Ų | 51.5 | 28% | 0.278 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -110.1 | -140.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S24 V25 D127 P131 | S24-G129 WeakPolarHBondContact OG-CA 3.39Å; V25-G129 CarbonylContact O-C 3.4Å; V25-G129 WeakPolarHBondContact O-CA 3.35Å; D127-G129 PolarHBondContact O-N 3.05Å; G129-P131 WeakPolarHBondContact O-CD 3.25Å |
| 130 | T | 88.4 | Confident | 90.3 | Very high | 79 Ų | 79 | 52.6 Ų | 52.6 | 49% | 0.485 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -110.5 | 76.9 | 167 | 58.5 | 0 | 0 | 0 | 0 | 109.3 | V25 V27 I132 | V25-T130 CarbonylContact O-C 3.57Å; V25-T130 PolarHBondContact O-N 2.79Å; V27-T130 VanDerWaalsContact CB-O 3.3Å; V27-T130 WeakPolarHBondContact CB-O 3.4Å; V27-T130 WeakPolarHBondContact CG2-O 3.47Å; V27-T130 PolarHBondContact N-O 3.32Å; T130-I132 PolarHBondContact O-N 2.66Å; T130-I132 VanDerWaalsContact O-N 3.11Å |
| 131 | P | 90.3 | Very high | 90.4 | Very high | 36 Ų | 36 | 54 Ų | 54 | 23% | 0.234 | 29% | 0.293 | C | S | . | . | trans | -71.6 | 2.9 | -178 | 29.8 | -36.8 | 0 | 0 | 0 | 114.3 | V25 S120 V121 G129 | V25-P131 HydrophobicContact CG1-CB 3.8Å; S120-P131 CarbonylContact C-O 3.48Å; S120-P131 WeakPolarHBondContact CA-O 3.5Å; V121-P131 PolarHBondContact N-O 3.27Å; V121-P131 VanDerWaalsContact O-CB 3.3Å; V121-P131 WeakPolarHBondContact O-CB 3.14Å; G129-P131 WeakPolarHBondContact O-CD 3.25Å | ||
| 132 | I | 92.9 | Very high | 90.6 | Very high | 80 Ų | 80 | 57.1 Ų | 57.1 | 41% | 0.41 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 134.8 | -177.9 | -52.5 | 179.6 | 0 | 0 | 0 | 109.5 | Q118 C119 T130 | Q118-I132 HydrophobicContact CB-CG2 4.01Å; C119-I132 WeakPolarHBondContact O-CA 3.35Å; T130-I132 PolarHBondContact O-N 2.66Å; T130-I132 VanDerWaalsContact O-N 3.11Å |
| 133 | A | 94.9 | Very high | 91 | Very high | 14 Ų | 14 | 49.5 Ų | 49.5 | 12% | 0.116 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 151.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V27 I29 Q118 C119 | V27-A133 HydrophobicContact CB-CB 4.4Å; V27-A133 HydrophobicContact CG1-CB 3.89Å; I29-A133 HydrophobicContact CB-CB 4.5Å; I29-A133 HydrophobicContact CD1-CB 4Å; I29-A133 HydrophobicContact CG1-CB 3.87Å; Q118-A133 CarbonylContact C-O 3.57Å; Q118-A133 VanDerWaalsContact CA-O 3.24Å; Q118-A133 WeakPolarHBondContact CA-O 3.41Å; C119-A133 PolarHBondContact N-O 2.8Å; C119-A133 PolarHBondContact O-N 2.04Å |
| 134 | S | 95.1 | Very high | 91.4 | Very high | 70 Ų | 70 | 49.7 Ų | 49.7 | 49% | 0.49 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 149.4 | -175.5 | -51.7 | 0 | 0 | 0 | 0 | 112.6 | Y117 | Y117-S134 CarbonylContact O-C 3.6Å; Y117-S134 VanDerWaalsContact O-CA 3.28Å; Y117-S134 WeakPolarHBondContact O-CA 3.12Å |
| 135 | T | 96.4 | Very high | 91.9 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 151 | 177.6 | -170.3 | 0 | 0 | 0 | 0 | 110.3 | I29 E31 K32 Y34 L44 W62 Y117 | I29-T135 HydrophobicContact CD1-CG2 3.96Å; I29-T135 HydrophobicContact CG2-CG2 4.13Å; E31-T135 WeakPolarHBondContact O-CB 3.33Å; E31-T135 PolarHBondContact O-OG1 2.68Å; K32-T135 PolarHBondContact O-OG1 2.99Å; Y34-T135 HydrophobicContact CD2-CG2 4.2Å; Y34-T135 WeakPolarHBondContact CD2-OG1 3.49Å; Y34-T135 HydrophobicContact CE2-CG2 4Å; Y34-T135 WeakPolarHBondContact CE2-OG1 3.31Å; L44-T135 HydrophobicContact CD2-CG2 4.46Å; W62-T135 HydrophobicContact CZ3-CG2 4.34Å; Y117-T135 PolarHBondContact N-O 2.87Å; Y117-T135 PolarHBondContact O-N 3.09Å; Y117-T135 VanDerWaalsContact O-O 3.07Å |
| 136 | S | 96.3 | Very high | 92.6 | Very high | 23 Ų | 23 | 47.1 Ų | 47.1 | 16% | 0.161 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 139 | 177.6 | -52.5 | 0 | 0 | 0 | 0 | 110.5 | K32 E33 Y34 H116 | K32-S136 PolarHBondContact O-N 3.13Å; E33-S136 CarbonylContact C-O 3.59Å; E33-S136 VanDerWaalsContact CA-O 3.28Å; E33-S136 WeakPolarHBondContact CA-O 3.4Å; Y34-S136 PolarHBondContact N-O 2.95Å; H116-S136 PolarHBondContact CD2-OG 3.39Å; H116-S136 PolarHBondContact NE2-OG 2.83Å |
| 137 | V | 96.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.03 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 129.3 | 163.2 | -180 | 0 | 0 | 0 | 0 | 107.5 | L44 L109 S114 R115 Y117 V139 | L44-V137 HydrophobicContact CD1-CG2 4.04Å; L44-V137 HydrophobicContact CD2-CG2 3.84Å; L109-V137 HydrophobicContact CD2-CG1 4.43Å; S114-V137 CarbonylContact C-O 3.59Å; S114-V137 VanDerWaalsContact CA-O 3.24Å; S114-V137 WeakPolarHBondContact CA-O 3.34Å; R115-V137 PolarHBondContact N-O 3.17Å; R115-V137 PolarHBondContact O-N 2.89Å; Y117-V137 HydrophobicContact CD2-CB 4.12Å; Y117-V137 HydrophobicContact CD2-CG2 3.64Å; Y117-V137 HydrophobicContact CE2-CB 3.85Å; Y117-V137 HydrophobicContact CE2-CG2 3.69Å; V137-V139 HydrophobicContact CG1-CG2 4.22Å |
| 138 | L | 95.9 | Very high | 94.3 | Very high | 43 Ų | 43 | 46.4 Ų | 46.4 | 23% | 0.225 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 108.2 | 174.3 | 178.5 | 62.9 | 0 | 0 | 0 | 108.5 | Y34 V36 L140 | Y34-L138 PolarHBondContact O-N 3.2Å; V36-L138 PolarHBondContact N-O 2.91Å; L138-L140 HydrophobicContact CD2-CD2 4.07Å; L138-L140 HydrophobicContact CG-CD2 3.89Å |
| 139 | V | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 132.6 | 177.9 | -174 | 0 | 0 | 0 | 0 | 109.1 | V36 K38 L109 T110 M111 D113 S114 V137 S170 | V36-V139 CarbonylContact O-C 3.5Å; V36-V139 VanDerWaalsContact O-CA 3.31Å; V36-V139 WeakPolarHBondContact O-CA 3.28Å; K38-V139 HydrophobicContact CB-CG1 3.92Å; L109-V139 HydrophobicContact CB-CG1 4.23Å; L109-V139 HydrophobicContact CB-CG2 4.04Å; L109-V139 HydrophobicContact CD1-CG2 4.44Å; L109-V139 HydrophobicContact CD2-CG2 4.23Å; L109-V139 HydrophobicContact CG-CG2 4.49Å; T110-V139 WeakPolarHBondContact O-CG2 3.11Å; M111-V139 HydrophobicContact CE-CB 4.44Å; M111-V139 WeakPolarHBondContact CE-O 3.41Å; M111-V139 HydrophobicContact SD-CB 4.16Å; M111-V139 HydrophobicContact SD-CG1 3.87Å; D113-V139 HydrophobicContact CB-CG2 4.36Å; S114-V139 WeakPolarHBondContact OG-CB 3.45Å; S114-V139 PolarHBondContact OG-N 2.82Å; S114-V139 VanDerWaalsContact OG-N 3.11Å; V137-V139 HydrophobicContact CG1-CG2 4.22Å; V139-S170 VanDerWaalsContact O-CB 3.24Å; V139-S170 WeakPolarHBondContact O-CB 3.33Å; V139-S170 PolarHBondContact O-OG 2.97Å |
| 140 | L | 96.7 | Very high | 95.7 | Very high | 22 Ų | 22 | 43 Ų | 43 | 12% | 0.115 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 142.2 | -170.7 | -55.2 | -172.7 | 0 | 0 | 0 | 111.8 | R35 V36 A37 K38 L138 S170 P171 V221 | R35-L140 HydrophobicContact CB-CD1 4.12Å; V36-L140 PolarHBondContact O-N 3.43Å; A37-L140 CarbonylContact C-O 3.58Å; A37-L140 WeakPolarHBondContact CA-O 2.95Å; K38-L140 PolarHBondContact N-O 2.84Å; L138-L140 HydrophobicContact CD2-CD2 4.07Å; L138-L140 HydrophobicContact CG-CD2 3.89Å; L140-S170 CarbonylContact C-O 3.55Å; L140-S170 WeakPolarHBondContact CA-O 3.22Å; L140-P171 HydrophobicContact CD2-CG 4.25Å; L140-V221 HydrophobicContact CB-CG2 3.84Å; L140-V221 HydrophobicContact CD1-CG2 4.33Å |
| 141 | E | 96.2 | Very high | 96 | Very high | 32 Ų | 32 | 44.4 Ų | 44.4 | 15% | 0.15 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -150.4 | 133.5 | 178.9 | 174.8 | 152.1 | -126.4 | 0 | 0 | 109.9 | K38 M111 S170 N219 | K38-E141 HydrophobicContact CD-CB 4.48Å; K38-E141 HydrophobicContact CD-CG 4.41Å; K38-E141 WeakPolarHBondContact CD-OE1 2.98Å; K38-E141 VanDerWaalsContact CD-OE2 3.25Å; K38-E141 WeakPolarHBondContact CD-OE2 3.28Å; K38-E141 WeakPolarHBondContact CE-OE1 3.48Å; K38-E141 WeakPolarHBondContact CE-OE2 3.34Å; K38-E141 IonicContact NZ-OE1 3.76Å; K38-E141 PolarHBondContact NZ-OE1 2.91Å; K38-E141 IonicContact NZ-OE2 3.32Å; K38-E141 PolarHBondContact NZ-OE2 3.34Å; M111-E141 HydrophobicContact SD-CB 4.35Å; E141-S170 PolarHBondContact N-O 2.8Å; E141-S170 PolarHBondContact O-N 2.85Å; E141-N219 PolarHBondContact O-ND2 2.83Å |
| 142 | P | 96.8 | Very high | 96.1 | Very high | 66 Ų | 66 | 45.5 Ų | 45.5 | 43% | 0.429 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 156.3 | 173.6 | 28.3 | -37 | 0 | 0 | 0 | 111.5 | S144 V221 | P142-S144 PolarHBondContact O-N 2.72Å; P142-V221 HydrophobicContact CB-CB 4.39Å; P142-V221 HydrophobicContact CB-CG1 4.36Å |
| 143 | P | 97.4 | Very high | 96 | Very high | 8 Ų | 8 | 50 Ų | 50 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 132.7 | -176.8 | -15.8 | 31.6 | 0 | 0 | 0 | 110.7 | E168 P173 S217 N219 G222 A224 | P143-E168 WeakPolarHBondContact CA-O 3.14Å; P143-P173 HydrophobicContact CB-CB 4.01Å; P143-P173 HydrophobicContact CB-CG 4.29Å; P143-P173 HydrophobicContact CG-CB 3.86Å; P143-S217 VanDerWaalsContact CB-OG 3.31Å; P143-S217 WeakPolarHBondContact CB-OG 3.32Å; P143-N219 HydrophobicContact CG-CB 4.29Å; P143-G222 VanDerWaalsContact CD-O 3.32Å; P143-G222 WeakPolarHBondContact CD-O 3.47Å; P143-A224 WeakPolarHBondContact O-CB 3.36Å |
| 144 | S | 96.9 | Very high | 95.9 | Very high | 25 Ų | 25 | 50.3 Ų | 50.3 | 18% | 0.175 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 160.4 | 172.8 | 71.6 | 0 | 0 | 0 | 0 | 110.6 | P142 P146 S166 E167 E168 | P142-S144 PolarHBondContact O-N 2.72Å; S144-P146 VanDerWaalsContact O-CD 3.28Å; S144-P146 WeakPolarHBondContact O-CD 3.34Å; S144-S166 VanDerWaalsContact O-CB 3.31Å; S144-S166 WeakPolarHBondContact O-CB 3.39Å; S144-S166 PolarHBondContact O-OG 3.46Å; S144-E167 PolarHBondContact OG-N 3.1Å; S144-E167 VanDerWaalsContact OG-N 3.13Å; S144-E168 PolarHBondContact N-O 2.97Å; S144-E168 PolarHBondContact OG-N 2.99Å |
| 145 | K | 96.9 | Very high | 95.9 | Very high | 161 Ų | 161 | 49.3 Ų | 49.3 | 70% | 0.7 | 27% | 0.268 | S | S | * | . | trans | -57.1 | 115.2 | -177 | -175.3 | -179.2 | 178.8 | -178.9 | 0 | 110 | ||||
| 146 | P | 97.6 | Very high | 95.8 | Very high | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.032 | 28% | 0.28 | C | S | . | . | trans | -67 | 149.1 | -172.6 | 24.4 | -32.5 | 0 | 0 | 0 | 112.1 | S144 C164 K165 C226 | S144-P146 VanDerWaalsContact O-CD 3.28Å; S144-P146 WeakPolarHBondContact O-CD 3.34Å; P146-C164 VanDerWaalsContact CB-SG 3.55Å; P146-K165 CarbonylContact C-O 3.59Å; P146-K165 WeakPolarHBondContact CA-O 3.42Å; P146-C226 HydrophobicContact CG-CB 4.15Å; P146-C226 VanDerWaalsContact O-CB 3.22Å; P146-C226 WeakPolarHBondContact O-CB 3.31Å; P146-C226 PolarHBondContact O-SG 2.87Å; P146-C226 VanDerWaalsContact O-SG 3.42Å | ||
| 147 | V | 97.2 | Very high | 95.6 | Very high | 89 Ų | 89 | 58.7 Ų | 58.7 | 54% | 0.539 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 114.9 | 171.2 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | T149 C164 K165 | V147-T149 HydrophobicContact CG1-CG2 3.77Å; V147-C164 WeakPolarHBondContact O-CA 3.49Å; V147-K165 PolarHBondContact N-O 2.92Å; V147-K165 PolarHBondContact O-N 2.91Å |
| 148 | C | 97.2 | Very high | 95.4 | Very high | 22 Ų | 22 | 59.8 Ų | 59.8 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 123.3 | 171.5 | -81 | 0 | 0 | 0 | 0 | 109.4 | T163 W177 C226 F228 | C148-T163 CarbonylContact C-O 3.48Å; C148-T163 VanDerWaalsContact CA-O 3.28Å; C148-T163 WeakPolarHBondContact CA-O 3.44Å; C148-W177 HydrophobicContact CB-CH2 4.39Å; C148-C226 HydrophobicContact CB-CB 3.88Å; C148-C226 WeakPolarHBondContact CB-SG 3.49Å; C148-C226 PolarHBondContact N-SG 3.41Å; C148-C226 VanDerWaalsContact N-SG 3.39Å; C148-C226 WeakPolarHBondContact SG-CB 3.28Å; C148-C226 CovalentContact SG-SG 2.04Å; C148-C226 PolarHBondContact SG-SG 2.7Å; C148-F228 HydrophobicContact CB-CB 3.94Å; C148-F228 HydrophobicContact CB-CD2 4.05Å; C148-F228 HydrophobicContact CB-CG 4.39Å |
| 149 | T | 96.4 | Very high | 95.4 | Very high | 59 Ų | 59 | 62 Ų | 62 | 36% | 0.362 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 152.3 | 175.1 | 80.8 | 0 | 0 | 0 | 0 | 112.8 | V147 L162 T163 | V147-T149 HydrophobicContact CG1-CG2 3.77Å; T149-L162 CarbonylContact O-C 3.58Å; T149-L162 WeakPolarHBondContact O-CA 3.38Å; T149-T163 PolarHBondContact N-O 2.92Å; T149-T163 PolarHBondContact O-N 3.15Å; T149-T163 PolarHBondContact O-OG1 3.3Å; T149-T163 PolarHBondContact OG1-OG1 2.75Å |
| 150 | L | 96.4 | Very high | 95.3 | Very high | 60 Ų | 60 | 62.1 Ų | 62.1 | 31% | 0.314 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 129.9 | 176.2 | 170.2 | 66.2 | 0 | 0 | 0 | 110.5 | A154 I160 L162 F228 | L150-A154 HydrophobicContact CD2-CB 4.34Å; L150-I160 HydrophobicContact CD1-CB 3.91Å; L150-I160 HydrophobicContact CD1-CD1 3.95Å; L150-I160 HydrophobicContact CD1-CG1 4.33Å; L150-I160 HydrophobicContact CD1-CG2 4.4Å; L150-L162 HydrophobicContact CB-CD2 3.94Å; L150-L162 HydrophobicContact CD1-CD2 3.71Å; L150-L162 HydrophobicContact CG-CD2 4.42Å; L150-F228 HydrophobicContact CB-CE1 4.3Å; L150-F228 HydrophobicContact CB-CE2 4.27Å; L150-F228 HydrophobicContact CB-CZ 3.64Å; L150-F228 HydrophobicContact CD2-CZ 4.42Å |
| 151 | Q | 95.5 | Very high | 95.3 | Very high | 109 Ų | 109 | 62.4 Ų | 62.4 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 141 | 168.3 | -58 | -177.7 | -2.4 | 0 | 0 | 109.4 | T161 T163 | Q151-T161 PolarHBondContact N-O 2.66Å; Q151-T161 PolarHBondContact O-N 2.02Å; Q151-T163 HydrophobicContact CG-CG2 4.38Å |
| 152 | G | 90.9 | Very high | 95.4 | Very high | 60 Ų | 60 | 60.9 Ų | 60.9 | 62% | 0.619 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 87.4 | -159 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 153 | R | 91.4 | Very high | 95.4 | Very high | 175 Ų | 175 | 59 Ų | 59 | 66% | 0.66 | 31% | 0.31 | S | S | * | . | trans | -131.1 | 135.4 | 177.3 | -60.9 | -172.8 | -174.8 | 175.5 | 2.2 | 110.5 | E155 A158 I160 | R153-E155 HydrophobicContact CB-CG 4.11Å; R153-E155 WeakPolarHBondContact CD-OE1 3.49Å; R153-E155 IonicContact CZ-OE1 3.77Å; R153-E155 IonicContact NE-OE1 3.8Å; R153-E155 IonicContact NH1-OE1 2.89Å; R153-E155 PolarHBondContact NH1-OE1 3.36Å; R153-E155 PolarHBondContact O-N 2.88Å; R153-A158 WeakPolarHBondContact O-CB 3.49Å; R153-I160 WeakPolarHBondContact O-CG2 3.48Å | ||
| 154 | A | 93.6 | Very high | 95.4 | Very high | 19 Ų | 19 | 58.9 Ų | 58.9 | 16% | 0.157 | 31% | 0.309 | C | S | . | . | trans | -76.9 | 58.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L150 L230 A231 V232 M233 | L150-A154 HydrophobicContact CD2-CB 4.34Å; A154-L230 HydrophobicContact CB-CD1 3.82Å; A154-A231 WeakPolarHBondContact CB-O 3.35Å; A154-V232 HydrophobicContact CB-CG2 4.41Å; A154-V232 WeakPolarHBondContact O-CA 3.48Å; A154-M233 PolarHBondContact O-N 2.93Å | ||
| 155 | E | 94.5 | Very high | 95.3 | Very high | 49 Ų | 49 | 64.8 Ų | 64.8 | 23% | 0.229 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -100.4 | 147.3 | 174.1 | -64.3 | -178.9 | -141 | 0 | 0 | 109.7 | R153 F157 A158 V205 M233 P235 | R153-E155 HydrophobicContact CB-CG 4.11Å; R153-E155 WeakPolarHBondContact CD-OE1 3.49Å; R153-E155 IonicContact CZ-OE1 3.77Å; R153-E155 IonicContact NE-OE1 3.8Å; R153-E155 IonicContact NH1-OE1 2.89Å; R153-E155 PolarHBondContact NH1-OE1 3.36Å; R153-E155 PolarHBondContact O-N 2.88Å; E155-F157 PolarHBondContact O-N 2.98Å; E155-A158 WeakPolarHBondContact O-CB 3.35Å; E155-A158 PolarHBondContact O-N 2.9Å; E155-A158 VanDerWaalsContact O-N 3.09Å; E155-V205 WeakPolarHBondContact O-CG2 3.24Å; E155-M233 CarbonylContact C-O 3.44Å; E155-M233 VanDerWaalsContact CA-O 3.29Å; E155-M233 WeakPolarHBondContact CA-O 3.34Å; E155-P235 HydrophobicContact CB-CB 4.47Å; E155-P235 WeakPolarHBondContact OE2-CA 3.25Å; E155-P235 VanDerWaalsContact OE2-CB 3.23Å; E155-P235 WeakPolarHBondContact OE2-CB 3.27Å |
| 156 | Y | 94.1 | Very high | 95.4 | Very high | 71 Ų | 71 | 57.5 Ų | 57.5 | 28% | 0.278 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 135.8 | -179.4 | -66.1 | -25.6 | 0 | 0 | 0 | 112.4 | A158 V205 K207 V232 M233 P234 | Y156-A158 PolarHBondContact O-N 2.93Å; Y156-V205 WeakPolarHBondContact CA-O 3.32Å; Y156-K207 HydrophobicContact CE1-CB 3.75Å; Y156-V232 HydrophobicContact CD1-CB 4.43Å; Y156-V232 HydrophobicContact CD1-CG1 3.7Å; Y156-V232 HydrophobicContact CE1-CB 4.46Å; Y156-V232 HydrophobicContact CE1-CG1 4.2Å; Y156-V232 WeakPolarHBondContact CE1-O 3.49Å; Y156-M233 WeakPolarHBondContact CD1-O 3.34Å; Y156-M233 PolarHBondContact N-O 2.86Å; Y156-P234 VanDerWaalsContact CD2-CA 3.45Å; Y156-P234 HydrophobicContact CD2-CB 3.82Å; Y156-P234 HydrophobicContact CE2-CB 3.67Å; Y156-P234 HydrophobicContact CE2-CG 4.23Å |
| 157 | F | 92 | Very high | 95.2 | Very high | 153 Ų | 153 | 65.9 Ų | 65.9 | 67% | 0.671 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 7.9 | -176.4 | -43.2 | -73.3 | 0 | 0 | 0 | 115.4 | E155 V205 | E155-F157 PolarHBondContact O-N 2.98Å; F157-V205 PolarHBondContact N-O 2.81Å |
| 158 | A | 93.3 | Very high | 95.1 | Very high | 28 Ų | 28 | 66.1 Ų | 66.1 | 23% | 0.231 | 34% | 0.335 | C | S | . | . | trans | -71 | 162.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112 | R153 E155 Y156 I160 N204 V205 | R153-A158 WeakPolarHBondContact O-CB 3.49Å; E155-A158 WeakPolarHBondContact O-CB 3.35Å; E155-A158 PolarHBondContact O-N 2.9Å; E155-A158 VanDerWaalsContact O-N 3.09Å; Y156-A158 PolarHBondContact O-N 2.93Å; A158-I160 HydrophobicContact CB-CG2 4.48Å; A158-N204 CarbonylContact O-C 3.51Å; A158-N204 VanDerWaalsContact O-CA 3.3Å; A158-N204 WeakPolarHBondContact O-CA 3.11Å; A158-N204 PolarHBondContact O-N 2.8Å; A158-N204 VanDerWaalsContact O-N 3.1Å; A158-V205 HydrophobicContact CB-CG2 4.39Å; A158-V205 WeakPolarHBondContact O-CG2 3.36Å; A158-V205 PolarHBondContact O-N 2.69Å | ||
| 159 | D | 95.1 | Very high | 95 | Very high | 88 Ų | 88 | 66.1 Ų | 66.1 | 47% | 0.471 | 34% | 0.338 | S | S | . | . | trans | -102.7 | 135.8 | 163.1 | -59 | -33.2 | 0 | 0 | 0 | 108 | L202 F203 N204 | D159-L202 WeakPolarHBondContact CA-O 3.46Å; D159-F203 HydrophobicContact CB-CD1 3.98Å; D159-F203 WeakPolarHBondContact OD1-CA 3.49Å; D159-F203 WeakPolarHBondContact OD1-CB 3.47Å; D159-N204 PolarHBondContact OD1-N 2.84Å; D159-N204 PolarHBondContact OD1-ND2 2.86Å | ||
| 160 | I | 95.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.015 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 157.9 | -176.3 | 66 | 176.5 | 0 | 0 | 0 | 111.4 | L150 R153 A158 S201 L202 V205 L230 | L150-I160 HydrophobicContact CD1-CB 3.91Å; L150-I160 HydrophobicContact CD1-CD1 3.95Å; L150-I160 HydrophobicContact CD1-CG1 4.33Å; L150-I160 HydrophobicContact CD1-CG2 4.4Å; R153-I160 WeakPolarHBondContact O-CG2 3.48Å; A158-I160 HydrophobicContact CB-CG2 4.48Å; I160-S201 WeakPolarHBondContact O-CA 3.43Å; I160-L202 HydrophobicContact CD1-CD1 4.36Å; I160-L202 HydrophobicContact CG1-CB 3.98Å; I160-L202 HydrophobicContact CG1-CD1 4.43Å; I160-L202 PolarHBondContact N-O 3.48Å; I160-L202 PolarHBondContact O-N 2.92Å; I160-V205 HydrophobicContact CD1-CG1 3.86Å; I160-V205 HydrophobicContact CD1-CG2 4.39Å; I160-V205 HydrophobicContact CG1-CG1 3.81Å; I160-V205 HydrophobicContact CG2-CG2 4.46Å; I160-L230 HydrophobicContact CD1-CD1 3.71Å; I160-L230 HydrophobicContact CD1-CD2 3.78Å; I160-L230 HydrophobicContact CD1-CG 4.41Å |
| 161 | T | 96.8 | Very high | 94.8 | Very high | 29 Ų | 29 | 62.8 Ų | 62.8 | 18% | 0.178 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 122.8 | 177 | -60.7 | 0 | 0 | 0 | 0 | 110.5 | Q151 T163 V199 L200 S201 | Q151-T161 PolarHBondContact N-O 2.66Å; Q151-T161 PolarHBondContact O-N 2.02Å; T161-T163 HydrophobicContact CG2-CG2 4.1Å; T161-V199 HydrophobicContact CG2-CG1 3.29Å; T161-L200 CarbonylContact C-O 3.35Å; T161-L200 WeakPolarHBondContact CA-O 3.41Å; T161-S201 PolarHBondContact OG1-OG 3.13Å |
| 162 | L | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 136.4 | 165.9 | -60.4 | -177.5 | 0 | 0 | 0 | 108.5 | T149 L150 W177 L200 L202 F213 F228 | T149-L162 CarbonylContact O-C 3.58Å; T149-L162 WeakPolarHBondContact O-CA 3.38Å; L150-L162 HydrophobicContact CB-CD2 3.94Å; L150-L162 HydrophobicContact CD1-CD2 3.71Å; L150-L162 HydrophobicContact CG-CD2 4.42Å; L162-W177 HydrophobicContact CB-CH2 3.7Å; L162-W177 HydrophobicContact CB-CZ2 3.8Å; L162-W177 HydrophobicContact CB-CZ3 4.39Å; L162-W177 HydrophobicContact CD1-CH2 4.26Å; L162-W177 HydrophobicContact CD1-CZ3 4.18Å; L162-L200 HydrophobicContact CB-CB 4.42Å; L162-L200 HydrophobicContact CD1-CD2 4.37Å; L162-L200 PolarHBondContact N-O 2.84Å; L162-L200 PolarHBondContact O-N 3.31Å; L162-L202 HydrophobicContact CD1-CD1 4.47Å; L162-F213 HydrophobicContact CD1-CB 3.64Å; L162-F213 HydrophobicContact CD1-CD1 3.86Å; L162-F213 HydrophobicContact CD1-CD2 4.18Å; L162-F213 HydrophobicContact CD1-CG 3.61Å; L162-F228 HydrophobicContact CD1-CD1 4.05Å; L162-F228 HydrophobicContact CD2-CD1 3.73Å; L162-F228 HydrophobicContact CD2-CE1 3.58Å; L162-F228 HydrophobicContact CD2-CG 4.41Å; L162-F228 HydrophobicContact CD2-CZ 4.14Å |
| 163 | T | 97.2 | Very high | 95 | Very high | 27 Ų | 27 | 60 Ų | 60 | 17% | 0.166 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 141.5 | 175.9 | 60.4 | 0 | 0 | 0 | 0 | 109.7 | C148 T149 Q151 T161 V199 | C148-T163 CarbonylContact C-O 3.48Å; C148-T163 VanDerWaalsContact CA-O 3.28Å; C148-T163 WeakPolarHBondContact CA-O 3.44Å; T149-T163 PolarHBondContact N-O 2.92Å; T149-T163 PolarHBondContact O-N 3.15Å; T149-T163 PolarHBondContact O-OG1 3.3Å; T149-T163 PolarHBondContact OG1-OG1 2.75Å; Q151-T163 HydrophobicContact CG-CG2 4.38Å; T161-T163 HydrophobicContact CG2-CG2 4.1Å; T163-V199 HydrophobicContact CG2-CG1 4.44Å; T163-V199 HydrophobicContact CG2-CG2 4.44Å |
| 164 | C | 97.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.027 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 123.4 | 179.4 | 171 | 0 | 0 | 0 | 0 | 108.8 | P146 V147 W177 G198 C215 | P146-C164 VanDerWaalsContact CB-SG 3.55Å; V147-C164 WeakPolarHBondContact O-CA 3.49Å; C164-W177 HydrophobicContact CB-CH2 4.1Å; C164-W177 HydrophobicContact CB-CZ2 3.4Å; C164-G198 WeakPolarHBondContact CB-O 3.28Å; C164-G198 PolarHBondContact N-O 2.88Å; C164-C215 HydrophobicContact CB-CB 3.54Å; C164-C215 WeakPolarHBondContact CB-SG 3.49Å; C164-C215 WeakPolarHBondContact SG-CB 3.44Å; C164-C215 CovalentContact SG-SG 2.02Å; C164-C215 PolarHBondContact SG-SG 2.87Å |
| 165 | K | 96.6 | Very high | 95.5 | Very high | 150 Ų | 150 | 57.9 Ų | 57.9 | 65% | 0.652 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 126.9 | 179.9 | -176 | 170.9 | 179.6 | -179.6 | 0 | 111.4 | P146 V147 | P146-K165 CarbonylContact C-O 3.59Å; P146-K165 WeakPolarHBondContact CA-O 3.42Å; V147-K165 PolarHBondContact N-O 2.92Å; V147-K165 PolarHBondContact O-N 2.91Å |
| 166 | S | 97.3 | Very high | 95.5 | Very high | 8 Ų | 8 | 57.9 Ų | 57.9 | 6% | 0.056 | 32% | 0.315 | C | S | . | . | trans | -79 | 144.4 | 164.2 | -67 | 0 | 0 | 0 | 0 | 109.9 | S144 E168 Y175 S217 | S144-S166 VanDerWaalsContact O-CB 3.31Å; S144-S166 WeakPolarHBondContact O-CB 3.39Å; S144-S166 PolarHBondContact O-OG 3.46Å; S166-E168 WeakPolarHBondContact CB-O 3.49Å; S166-Y175 PolarHBondContact N-OH 2.87Å; S166-S217 WeakPolarHBondContact OG-CB 3.38Å; S166-S217 PolarHBondContact OG-OG 3.19Å | ||
| 167 | E | 94.9 | Very high | 95.7 | Very high | 181 Ų | 181 | 55 Ų | 55 | 85% | 0.846 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -81.6 | -36 | 177.1 | -175.4 | 167.9 | -160.9 | 0 | 0 | 111.7 | S144 | S144-E167 PolarHBondContact OG-N 3.1Å; S144-E167 VanDerWaalsContact OG-N 3.13Å |
| 168 | E | 94.5 | Very high | 95.9 | Very high | 94 Ų | 94 | 50.5 Ų | 50.5 | 44% | 0.439 | 29% | 0.289 | S | S | . | . | trans | -120.6 | 157.6 | 176.1 | -53.9 | 173.4 | 115.3 | 0 | 0 | 110 | K38 P143 S144 S166 | K38-E168 IonicContact NZ-OE1 2.71Å; K38-E168 PolarHBondContact NZ-OE1 2.8Å; P143-E168 WeakPolarHBondContact CA-O 3.14Å; S144-E168 PolarHBondContact N-O 2.97Å; S144-E168 PolarHBondContact OG-N 2.99Å; S166-E168 WeakPolarHBondContact CB-O 3.49Å | ||
| 169 | G | 94.6 | Very high | 96 | Very high | 22 Ų | 22 | 49.4 Ų | 49.4 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | trans | 152.2 | 114.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P171 | G169-P171 CarbonylContact C-O 3.48Å; G169-P171 CarbonylContact O-C 3.59Å | ||
| 170 | S | 95.5 | Very high | 96.1 | Very high | 14 Ų | 14 | 48.6 Ų | 48.6 | 10% | 0.098 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -129.7 | 119.9 | 178.6 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | M111 V139 L140 E141 N219 V221 | M111-S170 VanDerWaalsContact CE-CB 3.5Å; V139-S170 VanDerWaalsContact O-CB 3.24Å; V139-S170 WeakPolarHBondContact O-CB 3.33Å; V139-S170 PolarHBondContact O-OG 2.97Å; L140-S170 CarbonylContact C-O 3.55Å; L140-S170 WeakPolarHBondContact CA-O 3.22Å; E141-S170 PolarHBondContact N-O 2.8Å; E141-S170 PolarHBondContact O-N 2.85Å; S170-N219 PolarHBondContact O-ND2 2.97Å; S170-V221 WeakPolarHBondContact O-CG2 3.42Å |
| 171 | P | 94.4 | Very high | 96 | Very high | 35 Ų | 35 | 48.8 Ų | 48.8 | 23% | 0.227 | 27% | 0.272 | C | S | . | . | S | Bend | cis | -67.3 | 167.5 | -0.4 | -14.1 | 32.2 | 0 | 0 | 0 | 111.4 | L140 G169 N219 N220 | L140-P171 HydrophobicContact CD2-CG 4.25Å; G169-P171 CarbonylContact C-O 3.48Å; G169-P171 CarbonylContact O-C 3.59Å; P171-N219 WeakPolarHBondContact O-CB 3.39Å; P171-N219 PolarHBondContact O-ND2 3.28Å; P171-N220 WeakPolarHBondContact CD-OD1 3.42Å; P171-N220 VanDerWaalsContact CG-OD1 3.29Å; P171-N220 WeakPolarHBondContact CG-OD1 3.28Å |
| 172 | A | 94.1 | Very high | 95.8 | Very high | 86 Ų | 86 | 52.3 Ų | 52.3 | 71% | 0.711 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -51 | 129.4 | -180 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 173 | P | 96.5 | Very high | 95.6 | Very high | 23 Ų | 23 | 58.5 Ų | 58.5 | 15% | 0.149 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 143.5 | -176.2 | 27.7 | -34.2 | 0 | 0 | 0 | 112.6 | P143 Y175 S217 K218 | P143-P173 HydrophobicContact CB-CB 4.01Å; P143-P173 HydrophobicContact CB-CG 4.29Å; P143-P173 HydrophobicContact CG-CB 3.86Å; P173-Y175 HydrophobicContact CG-CE1 4.28Å; P173-Y175 HydrophobicContact CG-CE2 4.2Å; P173-Y175 WeakPolarHBondContact O-CE2 3.32Å; P173-S217 VanDerWaalsContact CB-OG 3.25Å; P173-S217 WeakPolarHBondContact CB-OG 3.45Å; P173-S217 WeakPolarHBondContact CG-OG 3.48Å; P173-K218 CarbonylContact C-O 3.59Å; P173-K218 WeakPolarHBondContact CA-O 3.42Å |
| 174 | V | 96.8 | Very high | 95.4 | Very high | 112 Ų | 112 | 62 Ų | 62 | 68% | 0.679 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 134.3 | 164.5 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | K218 | V174-K218 PolarHBondContact N-O 2.84Å; V174-K218 PolarHBondContact O-N 2.83Å |
| 175 | Y | 97.1 | Very high | 95.2 | Very high | 38 Ų | 38 | 67.2 Ų | 67.2 | 15% | 0.149 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 137 | -179.5 | -58.3 | -84.2 | 0 | 0 | 0 | 111.4 | S166 P173 G198 L216 S217 | S166-Y175 PolarHBondContact N-OH 2.87Å; P173-Y175 HydrophobicContact CG-CE1 4.28Å; P173-Y175 HydrophobicContact CG-CE2 4.2Å; P173-Y175 WeakPolarHBondContact O-CE2 3.32Å; Y175-G198 VanDerWaalsContact CB-CA 3.41Å; Y175-L216 CarbonylContact C-O 3.59Å; Y175-L216 WeakPolarHBondContact CA-O 3.35Å; Y175-S217 WeakPolarHBondContact CE1-OG 3.4Å |
| 176 | S | 96.1 | Very high | 95.1 | Very high | 50 Ų | 50 | 65 Ų | 65 | 35% | 0.35 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 141.4 | 167.7 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | C215 L216 | S176-C215 CarbonylContact O-C 3.48Å; S176-C215 WeakPolarHBondContact O-CA 3.38Å; S176-L216 PolarHBondContact N-O 2.86Å; S176-L216 PolarHBondContact O-N 3.32Å |
| 177 | W | 97.1 | Very high | 94.9 | Very high | 9 Ų | 9 | 68.8 Ų | 68.8 | 3% | 0.034 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 151.3 | 176.2 | -72.4 | 90.5 | 0 | 0 | 0 | 111.5 | C148 L162 C164 F189 G198 L200 F213 I214 C215 | C148-W177 HydrophobicContact CB-CH2 4.39Å; L162-W177 HydrophobicContact CB-CH2 3.7Å; L162-W177 HydrophobicContact CB-CZ2 3.8Å; L162-W177 HydrophobicContact CB-CZ3 4.39Å; L162-W177 HydrophobicContact CD1-CH2 4.26Å; L162-W177 HydrophobicContact CD1-CZ3 4.18Å; C164-W177 HydrophobicContact CB-CH2 4.1Å; C164-W177 HydrophobicContact CB-CZ2 3.4Å; W177-F189 HydrophobicContact CB-CE2 4.29Å; W177-F189 HydrophobicContact CB-CZ 3.74Å; W177-F189 WeakPolarHBondContact O-CE2 3.28Å; W177-G198 PolarHBondContact NE1-O 2.88Å; W177-L200 HydrophobicContact CB-CD1 4.24Å; W177-L200 HydrophobicContact CB-CD2 4.06Å; W177-L200 HydrophobicContact CD2-CB 4.17Å; W177-L200 HydrophobicContact CD2-CD2 3.98Å; W177-L200 HydrophobicContact CE3-CD2 4.25Å; W177-L200 HydrophobicContact CG-CB 4Å; W177-L200 HydrophobicContact CG-CD1 4.4Å; W177-L200 HydrophobicContact CG-CD2 3.96Å; W177-L200 HydrophobicContact CG-CG 4.35Å; W177-F213 HydrophobicContact CE3-CB 4.02Å; W177-F213 HydrophobicContact CZ3-CB 3.82Å; W177-I214 CarbonylContact C-O 3.56Å; W177-I214 WeakPolarHBondContact CA-O 3.38Å; W177-C215 HydrophobicContact CD2-CB 3.78Å; W177-C215 HydrophobicContact CE3-CB 3.73Å; W177-C215 HydrophobicContact CH2-CB 4Å; W177-C215 HydrophobicContact CZ2-CB 4.06Å; W177-C215 HydrophobicContact CZ3-CB 3.82Å |
| 178 | T | 96 | Very high | 94.7 | Very high | 59 Ų | 59 | 69 Ų | 69 | 36% | 0.362 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 147.5 | 170.2 | 51.3 | 0 | 0 | 0 | 0 | 109.2 | F213 I214 | T178-F213 CarbonylContact O-C 3.51Å; T178-F213 WeakPolarHBondContact O-CA 3.24Å; T178-I214 PolarHBondContact N-O 2.71Å; T178-I214 PolarHBondContact O-N 3.15Å; T178-I214 PolarHBondContact OG1-O 3.46Å; T178-I214 VanDerWaalsContact OG1-O 3.11Å |
| 179 | S | 95.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 67.2 Ų | 67.2 | 4% | 0.035 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 143.8 | 179.8 | -173.9 | 0 | 0 | 0 | 0 | 110.7 | R187 F212 F213 | S179-R187 PolarHBondContact O-N 2.84Å; S179-F212 CarbonylContact C-O 3.57Å; S179-F212 WeakPolarHBondContact CA-O 3.12Å; S179-F213 WeakPolarHBondContact OG-CE1 3.46Å; S179-F213 WeakPolarHBondContact OG-CZ 3.22Å |
| 180 | Y | 96.3 | Very high | 94.1 | Very high | 72 Ų | 72 | 68.6 Ų | 68.6 | 28% | 0.282 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 149.5 | 175.6 | -61.3 | -99.4 | 0 | 0 | 0 | 109.6 | L185 P186 G211 F212 I214 | Y180-L185 CarbonylContact C-O 3.49Å; Y180-L185 VanDerWaalsContact CA-O 3.24Å; Y180-L185 WeakPolarHBondContact CA-O 3.39Å; Y180-P186 HydrophobicContact CD1-CB 4.04Å; Y180-P186 HydrophobicContact CE1-CB 3.86Å; Y180-G211 WeakPolarHBondContact O-CA 3.41Å; Y180-F212 PolarHBondContact N-O 3.47Å; Y180-F212 PolarHBondContact O-N 3.04Å; Y180-I214 HydrophobicContact CD2-CD1 4.12Å; Y180-I214 HydrophobicContact CD2-CG1 4.34Å; Y180-I214 HydrophobicContact CE2-CD1 3.83Å; Y180-I214 HydrophobicContact CE2-CG1 4.27Å |
| 181 | S | 93.5 | Very high | 93.5 | Very high | 7 Ų | 7 | 74.6 Ų | 74.6 | 5% | 0.049 | 41% | 0.412 | C | S | . | . | trans | -71.8 | 175.4 | 173.9 | 79 | 0 | 0 | 0 | 0 | 112.4 | E183 N184 L185 R187 F212 | S181-E183 WeakPolarHBondContact CB-OE2 3.23Å; S181-E183 PolarHBondContact O-N 2.82Å; S181-E183 PolarHBondContact OG-N 2.92Å; S181-E183 PolarHBondContact OG-OE2 2.96Å; S181-N184 WeakPolarHBondContact O-CA 3.46Å; S181-N184 PolarHBondContact O-N 2.96Å; S181-L185 PolarHBondContact N-O 3Å; S181-L185 WeakPolarHBondContact OG-CB 3.43Å; S181-L185 PolarHBondContact OG-N 3.32Å; S181-L185 VanDerWaalsContact OG-N 3.17Å; S181-R187 VanDerWaalsContact CB-NH2 3.35Å; S181-F212 WeakPolarHBondContact O-CD2 3.4Å | ||
| 182 | I | 92.4 | Very high | 93.3 | Very high | 103 Ų | 103 | 80.4 Ų | 80.4 | 53% | 0.528 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -30.9 | 175 | -56.5 | 174.8 | 0 | 0 | 0 | 110.3 | N184 | I182-N184 PolarHBondContact O-N 3.02Š|
| 183 | E | 93.5 | Very high | 93.1 | Very high | 130 Ų | 130 | 77.6 Ų | 77.6 | 61% | 0.607 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 8.4 | 174.5 | -47.7 | 74.1 | -160.6 | 0 | 0 | 113.3 | S181 L185 | S181-E183 WeakPolarHBondContact CB-OE2 3.23Å; S181-E183 PolarHBondContact O-N 2.82Å; S181-E183 PolarHBondContact OG-N 2.92Å; S181-E183 PolarHBondContact OG-OE2 2.96Å; E183-L185 VanDerWaalsContact C-N 3.25Å; E183-L185 HydrophobicContact CB-CD1 4.34Å; E183-L185 HydrophobicContact CB-CG 4.24Å; E183-L185 PolarHBondContact O-N 2.91Å |
| 184 | N | 92.1 | Very high | 93 | Very high | 101 Ų | 101 | 80.2 Ų | 80.2 | 54% | 0.54 | 42% | 0.423 | S | S | . | . | trans | 60.2 | 23 | -173.7 | -62.2 | -77 | 0 | 0 | 0 | 115.2 | S181 I182 F212 | S181-N184 WeakPolarHBondContact O-CA 3.46Å; S181-N184 PolarHBondContact O-N 2.96Å; I182-N184 PolarHBondContact O-N 3.02Å; N184-F212 WeakPolarHBondContact OD1-CD2 3.47Å; N184-F212 WeakPolarHBondContact OD1-CE2 3.45Å | ||
| 185 | L | 93.9 | Very high | 92.8 | Very high | 112 Ų | 112 | 78.9 Ų | 78.9 | 59% | 0.586 | 41% | 0.41 | S | S | * | . | trans | -81.2 | 130.5 | 175.1 | -61.5 | 172.5 | 0 | 0 | 0 | 110.2 | Y180 S181 E183 R187 | Y180-L185 CarbonylContact C-O 3.49Å; Y180-L185 VanDerWaalsContact CA-O 3.24Å; Y180-L185 WeakPolarHBondContact CA-O 3.39Å; S181-L185 PolarHBondContact N-O 3Å; S181-L185 WeakPolarHBondContact OG-CB 3.43Å; S181-L185 PolarHBondContact OG-N 3.32Å; S181-L185 VanDerWaalsContact OG-N 3.17Å; E183-L185 VanDerWaalsContact C-N 3.25Å; E183-L185 HydrophobicContact CB-CD1 4.34Å; E183-L185 HydrophobicContact CB-CG 4.24Å; E183-L185 PolarHBondContact O-N 2.91Å; L185-R187 PolarHBondContact O-N 3.19Å | ||
| 186 | P | 94.3 | Very high | 92.7 | Very high | 104 Ų | 104 | 84.2 Ų | 84.2 | 68% | 0.675 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 135.3 | -179.2 | 26.1 | -34.1 | 0 | 0 | 0 | 111.3 | Y180 | Y180-P186 HydrophobicContact CD1-CB 4.04Å; Y180-P186 HydrophobicContact CE1-CB 3.86Å |
| 187 | R | 93 | Very high | 92.5 | Very high | 88 Ų | 88 | 88.8 Ų | 88.8 | 33% | 0.332 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 133.9 | -172.7 | -163.8 | -160.5 | -61.5 | -89.8 | 8.9 | 110.4 | S179 S181 L185 E208 S210 | S179-R187 PolarHBondContact O-N 2.84Å; S181-R187 VanDerWaalsContact CB-NH2 3.35Å; L185-R187 PolarHBondContact O-N 3.19Å; R187-E208 PolarHBondContact NH1-O 2.87Å; R187-E208 VanDerWaalsContact NH1-O 3.12Å; R187-E208 PolarHBondContact NH2-O 2.78Å; R187-S210 PolarHBondContact NH2-O 2.8Å |
| 188 | Q | 91.3 | Very high | 92.3 | Very high | 184 Ų | 184 | 88.5 Ų | 88.5 | 86% | 0.86 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -73.1 | 147.3 | 167.1 | -65.2 | -175.6 | 2.1 | 0 | 0 | 110.4 | ||
| 189 | F | 90.7 | Very high | 92.3 | Very high | 57 Ų | 57 | 88.5 Ų | 88.5 | 25% | 0.25 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 147.6 | 175.7 | -64.7 | -64.1 | 0 | 0 | 0 | 111.7 | W177 T193 L200 L202 F213 | W177-F189 HydrophobicContact CB-CE2 4.29Å; W177-F189 HydrophobicContact CB-CZ 3.74Å; W177-F189 WeakPolarHBondContact O-CE2 3.28Å; F189-T193 HydrophobicContact CB-CG2 3.97Å; F189-T193 HydrophobicContact CD1-CG2 4.22Å; F189-T193 HydrophobicContact CG-CG2 4.11Å; F189-L200 HydrophobicContact CD1-CD1 4.29Å; F189-L200 HydrophobicContact CD1-CD2 4.49Å; F189-L200 HydrophobicContact CE1-CD1 3.97Å; F189-L200 HydrophobicContact CE1-CD2 3.71Å; F189-L200 HydrophobicContact CE1-CG 4.46Å; F189-L200 HydrophobicContact CE2-CD1 4.29Å; F189-L200 HydrophobicContact CZ-CD1 3.98Å; F189-L200 HydrophobicContact CZ-CD2 4.08Å; F189-L202 HydrophobicContact CD1-CD2 4.27Å; F189-F213 HydrophobicContact CD1-CE1 4.42Å; F189-F213 HydrophobicContact CE1-CD1 4.05Å; F189-F213 AromaticContact CE1-CE1 3.91Å; F189-F213 HydrophobicContact CE1-CE1 3.91Å |
| 190 | P | 85.7 | Confident | 92.4 | Very high | 51 Ų | 51 | 88.2 Ų | 88.2 | 33% | 0.331 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -54 | 145.6 | 170 | -25.9 | 33.9 | 0 | 0 | 0 | 112 | K192 T193 | P190-K192 PolarHBondContact O-N 3.05Å; P190-T193 WeakPolarHBondContact CD-OG1 3.38Å; P190-T193 VanDerWaalsContact O-CB 3.23Å; P190-T193 WeakPolarHBondContact O-CB 3.47Å; P190-T193 PolarHBondContact O-N 3.1Å; P190-T193 PolarHBondContact O-OG1 2.7Å |
| 191 | P | 83.8 | Confident | 92.4 | Very high | 141 Ų | 141 | 85.7 Ų | 85.7 | 92% | 0.916 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -4.2 | -170.2 | 27.1 | -36.4 | 0 | 0 | 0 | 115.7 | ||
| 192 | K | 88.4 | Confident | 92.5 | Very high | 156 Ų | 156 | 85.5 Ų | 85.5 | 68% | 0.678 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -3.9 | 171 | -68.1 | -172.7 | 175.9 | -176.5 | 0 | 113.8 | P190 F203 | P190-K192 PolarHBondContact O-N 3.05Å; K192-F203 HydrophobicContact CB-CD2 4.3Å; K192-F203 WeakPolarHBondContact O-CD2 3.31Å; K192-F203 WeakPolarHBondContact O-CE2 3.36Å |
| 193 | T | 91.4 | Very high | 92.5 | Very high | 28 Ų | 28 | 84.4 Ų | 84.4 | 17% | 0.172 | 44% | 0.437 | C | S | . | . | trans | -68.5 | 131.7 | -175.5 | -52.2 | 0 | 0 | 0 | 0 | 110.4 | F189 P190 L200 S201 L202 | F189-T193 HydrophobicContact CB-CG2 3.97Å; F189-T193 HydrophobicContact CD1-CG2 4.22Å; F189-T193 HydrophobicContact CG-CG2 4.11Å; P190-T193 WeakPolarHBondContact CD-OG1 3.38Å; P190-T193 VanDerWaalsContact O-CB 3.23Å; P190-T193 WeakPolarHBondContact O-CB 3.47Å; P190-T193 PolarHBondContact O-N 3.1Å; P190-T193 PolarHBondContact O-OG1 2.7Å; T193-L200 HydrophobicContact CG2-CD1 3.52Å; T193-L200 HydrophobicContact CG2-CG 4.23Å; T193-S201 WeakPolarHBondContact CA-O 3.48Å; T193-S201 WeakPolarHBondContact CG2-O 3.35Å; T193-L202 HydrophobicContact CG2-CD2 3.75Å | ||
| 194 | T | 93.1 | Very high | 92.5 | Very high | 77 Ų | 77 | 82.5 Ų | 82.5 | 47% | 0.472 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 145.4 | 170.6 | 60.6 | 0 | 0 | 0 | 0 | 110.4 | L200 S201 | T194-L200 WeakPolarHBondContact O-CA 3.42Å; T194-S201 PolarHBondContact N-O 3.08Å; T194-S201 PolarHBondContact O-N 2.76Å |
| 195 | Q | 94.2 | Very high | 92.6 | Very high | 84 Ų | 84 | 77.7 Ų | 77.7 | 39% | 0.393 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 114.2 | 178.6 | -167.5 | -161.2 | -74.3 | 0 | 0 | 109.8 | V199 L200 | Q195-V199 VanDerWaalsContact CA-O 3.28Å; Q195-V199 WeakPolarHBondContact CA-O 3.34Å; Q195-L200 HydrophobicContact CB-CD1 3.98Å; Q195-L200 HydrophobicContact CG-CD1 3.99Å |
| 196 | E | 93.4 | Very high | 92.6 | Very high | 150 Ų | 150 | 74.4 Ų | 74.4 | 70% | 0.701 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152 | 132.9 | -173 | -173.1 | 167.8 | -150.4 | 0 | 0 | 109.1 | G198 V199 | E196-G198 PolarHBondContact O-N 3.17Å; E196-V199 PolarHBondContact N-O 2.83Å; E196-V199 WeakPolarHBondContact O-CA 3.42Å; E196-V199 VanDerWaalsContact O-CB 3.27Å; E196-V199 WeakPolarHBondContact O-CB 3.33Å; E196-V199 PolarHBondContact O-N 2.83Å |
| 197 | D | 91.8 | Very high | 92.5 | Very high | 147 Ų | 147 | 75.4 Ų | 75.4 | 79% | 0.786 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.6 | 38.2 | 177.3 | -68.1 | -6 | 0 | 0 | 0 | 116.7 | V199 | D197-V199 VanDerWaalsContact C-N 3.28Å; D197-V199 PolarHBondContact O-N 2.75Å |
| 198 | G | 93.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 76.7 Ų | 76.7 | 2% | 0.021 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | -2.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | C164 Y175 W177 E196 | C164-G198 WeakPolarHBondContact CB-O 3.28Å; C164-G198 PolarHBondContact N-O 2.88Å; Y175-G198 VanDerWaalsContact CB-CA 3.41Å; W177-G198 PolarHBondContact NE1-O 2.88Å; E196-G198 PolarHBondContact O-N 3.17Å |
| 199 | V | 96.8 | Very high | 92.4 | Very high | 59 Ų | 59 | 69 Ų | 69 | 36% | 0.358 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 134.8 | 169.8 | -171.3 | 0 | 0 | 0 | 0 | 109.4 | T161 T163 Q195 E196 D197 | T161-V199 HydrophobicContact CG2-CG1 3.29Å; T163-V199 HydrophobicContact CG2-CG1 4.44Å; T163-V199 HydrophobicContact CG2-CG2 4.44Å; Q195-V199 VanDerWaalsContact CA-O 3.28Å; Q195-V199 WeakPolarHBondContact CA-O 3.34Å; E196-V199 PolarHBondContact N-O 2.83Å; E196-V199 WeakPolarHBondContact O-CA 3.42Å; E196-V199 VanDerWaalsContact O-CB 3.27Å; E196-V199 WeakPolarHBondContact O-CB 3.33Å; E196-V199 PolarHBondContact O-N 2.83Å; D197-V199 VanDerWaalsContact C-N 3.28Å; D197-V199 PolarHBondContact O-N 2.75Å |
| 200 | L | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 107.9 | 176.9 | 178.1 | 78.8 | 0 | 0 | 0 | 109.1 | T161 L162 W177 F189 T193 T194 Q195 L202 F213 | T161-L200 CarbonylContact C-O 3.35Å; T161-L200 WeakPolarHBondContact CA-O 3.41Å; L162-L200 HydrophobicContact CB-CB 4.42Å; L162-L200 HydrophobicContact CD1-CD2 4.37Å; L162-L200 PolarHBondContact N-O 2.84Å; L162-L200 PolarHBondContact O-N 3.31Å; W177-L200 HydrophobicContact CB-CD1 4.24Å; W177-L200 HydrophobicContact CB-CD2 4.06Å; W177-L200 HydrophobicContact CD2-CB 4.17Å; W177-L200 HydrophobicContact CD2-CD2 3.98Å; W177-L200 HydrophobicContact CE3-CD2 4.25Å; W177-L200 HydrophobicContact CG-CB 4Å; W177-L200 HydrophobicContact CG-CD1 4.4Å; W177-L200 HydrophobicContact CG-CD2 3.96Å; W177-L200 HydrophobicContact CG-CG 4.35Å; F189-L200 HydrophobicContact CD1-CD1 4.29Å; F189-L200 HydrophobicContact CD1-CD2 4.49Å; F189-L200 HydrophobicContact CE1-CD1 3.97Å; F189-L200 HydrophobicContact CE1-CD2 3.71Å; F189-L200 HydrophobicContact CE1-CG 4.46Å; F189-L200 HydrophobicContact CE2-CD1 4.29Å; F189-L200 HydrophobicContact CZ-CD1 3.98Å; F189-L200 HydrophobicContact CZ-CD2 4.08Å; T193-L200 HydrophobicContact CG2-CD1 3.52Å; T193-L200 HydrophobicContact CG2-CG 4.23Å; T194-L200 WeakPolarHBondContact O-CA 3.42Å; Q195-L200 HydrophobicContact CB-CD1 3.98Å; Q195-L200 HydrophobicContact CG-CD1 3.99Å; L200-L202 HydrophobicContact CD2-CD1 4.43Å; L200-L202 HydrophobicContact CD2-CG 4.46Å; L200-L202 HydrophobicContact CG-CG 4.45Å; L200-F213 HydrophobicContact CD2-CD1 3.8Å; L200-F213 HydrophobicContact CD2-CE1 4.23Å |
| 201 | S | 96.1 | Very high | 93.1 | Very high | 18 Ų | 18 | 64.4 Ų | 64.4 | 13% | 0.126 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 119.4 | -179.5 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | I160 T161 T193 T194 F203 | I160-S201 WeakPolarHBondContact O-CA 3.43Å; T161-S201 PolarHBondContact OG1-OG 3.13Å; T193-S201 WeakPolarHBondContact CA-O 3.48Å; T193-S201 WeakPolarHBondContact CG2-O 3.35Å; T194-S201 PolarHBondContact N-O 3.08Å; T194-S201 PolarHBondContact O-N 2.76Å; S201-F203 WeakPolarHBondContact O-CE2 3.41Å |
| 202 | L | 95.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 122.4 | -177.5 | -64 | 164.2 | 0 | 0 | 0 | 109.1 | D159 I160 L162 F189 T193 L200 V205 F213 L230 | D159-L202 WeakPolarHBondContact CA-O 3.46Å; I160-L202 HydrophobicContact CD1-CD1 4.36Å; I160-L202 HydrophobicContact CG1-CB 3.98Å; I160-L202 HydrophobicContact CG1-CD1 4.43Å; I160-L202 PolarHBondContact N-O 3.48Å; I160-L202 PolarHBondContact O-N 2.92Å; L162-L202 HydrophobicContact CD1-CD1 4.47Å; F189-L202 HydrophobicContact CD1-CD2 4.27Å; T193-L202 HydrophobicContact CG2-CD2 3.75Å; L200-L202 HydrophobicContact CD2-CD1 4.43Å; L200-L202 HydrophobicContact CD2-CG 4.46Å; L200-L202 HydrophobicContact CG-CG 4.45Å; L202-V205 HydrophobicContact CB-CG1 3.83Å; L202-F213 HydrophobicContact CD1-CD1 4.36Å; L202-F213 HydrophobicContact CD1-CE1 3.64Å; L202-F213 HydrophobicContact CD1-CZ 3.88Å; L202-F213 HydrophobicContact CD2-CE1 4.27Å; L202-L230 HydrophobicContact CD1-CD2 4.28Å |
| 203 | F | 94.1 | Very high | 94.1 | Very high | 81 Ų | 81 | 52.5 Ų | 52.5 | 36% | 0.355 | 27% | 0.269 | S | S | . | . | trans | -104.3 | 139.6 | -174.7 | -60 | -90.3 | 0 | 0 | 0 | 111.8 | D159 K192 S201 | D159-F203 HydrophobicContact CB-CD1 3.98Å; D159-F203 WeakPolarHBondContact OD1-CA 3.49Å; D159-F203 WeakPolarHBondContact OD1-CB 3.47Å; K192-F203 HydrophobicContact CB-CD2 4.3Å; K192-F203 WeakPolarHBondContact O-CD2 3.31Å; K192-F203 WeakPolarHBondContact O-CE2 3.36Å; S201-F203 WeakPolarHBondContact O-CE2 3.41Å | ||
| 204 | N | 92.9 | Very high | 94.3 | Very high | 89 Ų | 89 | 53.4 Ų | 53.4 | 48% | 0.476 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 55.7 | 54.2 | 176.1 | -71.9 | -135.4 | 0 | 0 | 0 | 112.1 | A158 D159 | A158-N204 CarbonylContact O-C 3.51Å; A158-N204 VanDerWaalsContact O-CA 3.3Å; A158-N204 WeakPolarHBondContact O-CA 3.11Å; A158-N204 PolarHBondContact O-N 2.8Å; A158-N204 VanDerWaalsContact O-N 3.1Å; D159-N204 PolarHBondContact OD1-N 2.84Å; D159-N204 PolarHBondContact OD1-ND2 2.86Å |
| 205 | V | 93.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | trans | -65.3 | 137 | -171.6 | -64.9 | 0 | 0 | 0 | 0 | 113.2 | E155 Y156 F157 A158 I160 L202 T209 V232 | E155-V205 WeakPolarHBondContact O-CG2 3.24Å; Y156-V205 WeakPolarHBondContact CA-O 3.32Å; F157-V205 PolarHBondContact N-O 2.81Å; A158-V205 HydrophobicContact CB-CG2 4.39Å; A158-V205 WeakPolarHBondContact O-CG2 3.36Å; A158-V205 PolarHBondContact O-N 2.69Å; I160-V205 HydrophobicContact CD1-CG1 3.86Å; I160-V205 HydrophobicContact CD1-CG2 4.39Å; I160-V205 HydrophobicContact CG1-CG1 3.81Å; I160-V205 HydrophobicContact CG2-CG2 4.46Å; L202-V205 HydrophobicContact CB-CG1 3.83Å; V205-T209 WeakPolarHBondContact CB-OG1 3.29Å; V205-V232 HydrophobicContact CB-CG1 4.26Å; V205-V232 HydrophobicContact CB-CG2 4.26Å; V205-V232 HydrophobicContact CG2-CG1 3.7Å; V205-V232 HydrophobicContact CG2-CG2 4.26Å | ||
| 206 | T | 93.1 | Very high | 94.7 | Very high | 42 Ų | 42 | 48.7 Ų | 48.7 | 26% | 0.258 | 25% | 0.247 | S | C | . | . | trans | -118.5 | 173.3 | -179.8 | 73.4 | 0 | 0 | 0 | 0 | 111 | E208 T209 | T206-E208 WeakPolarHBondContact CB-OE2 2.93Å; T206-E208 PolarHBondContact O-N 3.11Å; T206-E208 VanDerWaalsContact O-N 3.16Å; T206-E208 PolarHBondContact OG1-N 3.18Å; T206-E208 PolarHBondContact OG1-OE2 3.28Å; T206-T209 PolarHBondContact N-OG1 3.35Å; T206-T209 PolarHBondContact O-N 3.3Å; T206-T209 PolarHBondContact O-OG1 2.92Å | ||
| 207 | K | 92.4 | Very high | 94.9 | Very high | 126 Ų | 126 | 41.6 Ų | 41.6 | 55% | 0.548 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -51 | -40.5 | 174.1 | -173.7 | -170.6 | 174.7 | -168.3 | 0 | 111.6 | Y156 T209 S210 | Y156-K207 HydrophobicContact CE1-CB 3.75Å; K207-T209 PolarHBondContact O-N 2.66Å; K207-S210 WeakPolarHBondContact O-CB 3.47Å; K207-S210 PolarHBondContact O-N 2.94Å; K207-S210 PolarHBondContact O-OG 3.24Å |
| 208 | E | 90.9 | Very high | 95.2 | Very high | 115 Ų | 115 | 40.1 Ų | 40.1 | 54% | 0.537 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -67.8 | -18.9 | -178.4 | -59 | 64.4 | -134.9 | 0 | 0 | 112.8 | R187 T206 S210 | R187-E208 PolarHBondContact NH1-O 2.87Å; R187-E208 VanDerWaalsContact NH1-O 3.12Å; R187-E208 PolarHBondContact NH2-O 2.78Å; T206-E208 WeakPolarHBondContact CB-OE2 2.93Å; T206-E208 PolarHBondContact O-N 3.11Å; T206-E208 VanDerWaalsContact O-N 3.16Å; T206-E208 PolarHBondContact OG1-N 3.18Å; T206-E208 PolarHBondContact OG1-OE2 3.28Å; E208-S210 VanDerWaalsContact C-N 3.25Å |
| 209 | T | 92.8 | Very high | 95.3 | Very high | 21 Ų | 21 | 40.8 Ų | 40.8 | 13% | 0.129 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -78.7 | -8.8 | 172.5 | 66.5 | 0 | 0 | 0 | 0 | 113.1 | V205 T206 K207 F213 V232 | V205-T209 WeakPolarHBondContact CB-OG1 3.29Å; T206-T209 PolarHBondContact N-OG1 3.35Å; T206-T209 PolarHBondContact O-N 3.3Å; T206-T209 PolarHBondContact O-OG1 2.92Å; K207-T209 PolarHBondContact O-N 2.66Å; T209-F213 WeakPolarHBondContact O-CE2 3.47Å; T209-F213 WeakPolarHBondContact O-CZ 3.47Å; T209-V232 WeakPolarHBondContact OG1-CG2 3.48Å |
| 210 | S | 94.9 | Very high | 95.2 | Very high | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | trans | -65.8 | 149 | 172.2 | -48.8 | 0 | 0 | 0 | 0 | 111.7 | R187 K207 E208 L230 V232 | R187-S210 PolarHBondContact NH2-O 2.8Å; K207-S210 WeakPolarHBondContact O-CB 3.47Å; K207-S210 PolarHBondContact O-N 2.94Å; K207-S210 PolarHBondContact O-OG 3.24Å; E208-S210 VanDerWaalsContact C-N 3.25Å; S210-L230 CarbonylContact C-O 3.58Å; S210-L230 VanDerWaalsContact CA-O 3.24Å; S210-L230 WeakPolarHBondContact CA-O 3.49Å; S210-L230 WeakPolarHBondContact CB-O 3.48Å; S210-V232 PolarHBondContact OG-N 2.95Å | ||
| 211 | G | 95.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.2 | -150.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y180 T229 L230 | Y180-G211 WeakPolarHBondContact O-CA 3.41Å; G211-T229 WeakPolarHBondContact O-CA 3Å; G211-L230 PolarHBondContact N-O 2.85Å; G211-L230 PolarHBondContact O-N 2.86Å |
| 212 | F | 96.4 | Very high | 95 | Very high | 45 Ų | 45 | 46.1 Ų | 46.1 | 20% | 0.197 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 129.3 | -175.2 | -54.6 | -77.9 | 0 | 0 | 0 | 110.9 | S179 Y180 S181 N184 T229 | S179-F212 CarbonylContact C-O 3.57Å; S179-F212 WeakPolarHBondContact CA-O 3.12Å; Y180-F212 PolarHBondContact N-O 3.47Å; Y180-F212 PolarHBondContact O-N 3.04Å; S181-F212 WeakPolarHBondContact O-CD2 3.4Å; N184-F212 WeakPolarHBondContact OD1-CD2 3.47Å; N184-F212 WeakPolarHBondContact OD1-CE2 3.45Å; F212-T229 HydrophobicContact CD1-CG2 4.23Å; F212-T229 WeakPolarHBondContact CD1-OG1 3.4Å; F212-T229 HydrophobicContact CE1-CG2 3.95Å; F212-T229 WeakPolarHBondContact CE1-OG1 3.22Å |
| 213 | F | 96.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 110.7 | 176.6 | -71.1 | -100.4 | 0 | 0 | 0 | 107.8 | L162 W177 T178 S179 F189 L200 L202 T209 F228 L230 | L162-F213 HydrophobicContact CD1-CB 3.64Å; L162-F213 HydrophobicContact CD1-CD1 3.86Å; L162-F213 HydrophobicContact CD1-CD2 4.18Å; L162-F213 HydrophobicContact CD1-CG 3.61Å; W177-F213 HydrophobicContact CE3-CB 4.02Å; W177-F213 HydrophobicContact CZ3-CB 3.82Å; T178-F213 CarbonylContact O-C 3.51Å; T178-F213 WeakPolarHBondContact O-CA 3.24Å; S179-F213 WeakPolarHBondContact OG-CE1 3.46Å; S179-F213 WeakPolarHBondContact OG-CZ 3.22Å; F189-F213 HydrophobicContact CD1-CE1 4.42Å; F189-F213 HydrophobicContact CE1-CD1 4.05Å; F189-F213 AromaticContact CE1-CE1 3.91Å; F189-F213 HydrophobicContact CE1-CE1 3.91Å; L200-F213 HydrophobicContact CD2-CD1 3.8Å; L200-F213 HydrophobicContact CD2-CE1 4.23Å; L202-F213 HydrophobicContact CD1-CD1 4.36Å; L202-F213 HydrophobicContact CD1-CE1 3.64Å; L202-F213 HydrophobicContact CD1-CZ 3.88Å; L202-F213 HydrophobicContact CD2-CE1 4.27Å; T209-F213 WeakPolarHBondContact O-CE2 3.47Å; T209-F213 WeakPolarHBondContact O-CZ 3.47Å; F213-F228 PolarHBondContact N-O 2.88Å; F213-F228 PolarHBondContact O-N 2.81Å; F213-L230 HydrophobicContact CD2-CB 3.76Å; F213-L230 HydrophobicContact CD2-CD2 4.35Å; F213-L230 HydrophobicContact CE2-CB 3.69Å; F213-L230 HydrophobicContact CE2-CD2 3.65Å; F213-L230 HydrophobicContact CE2-CG 4.31Å; F213-L230 HydrophobicContact CZ-CD2 4.02Å |
| 214 | I | 97.1 | Very high | 95.3 | Very high | 46 Ų | 46 | 46.4 Ų | 46.4 | 24% | 0.236 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 115 | -177.7 | -54.8 | -179 | 0 | 0 | 0 | 108.5 | W177 T178 Y180 C226 N227 | W177-I214 CarbonylContact C-O 3.56Å; W177-I214 WeakPolarHBondContact CA-O 3.38Å; T178-I214 PolarHBondContact N-O 2.71Å; T178-I214 PolarHBondContact O-N 3.15Å; T178-I214 PolarHBondContact OG1-O 3.46Å; T178-I214 VanDerWaalsContact OG1-O 3.11Å; Y180-I214 HydrophobicContact CD2-CD1 4.12Å; Y180-I214 HydrophobicContact CD2-CG1 4.34Å; Y180-I214 HydrophobicContact CE2-CD1 3.83Å; Y180-I214 HydrophobicContact CE2-CG1 4.27Å; I214-C226 WeakPolarHBondContact CA-O 3.01Å; I214-N227 HydrophobicContact CG1-CB 4.11Å |
| 215 | C | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 132.5 | 167.1 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | C164 S176 W177 S225 C226 | C164-C215 HydrophobicContact CB-CB 3.54Å; C164-C215 WeakPolarHBondContact CB-SG 3.49Å; C164-C215 WeakPolarHBondContact SG-CB 3.44Å; C164-C215 CovalentContact SG-SG 2.02Å; C164-C215 PolarHBondContact SG-SG 2.87Å; S176-C215 CarbonylContact O-C 3.48Å; S176-C215 WeakPolarHBondContact O-CA 3.38Å; W177-C215 HydrophobicContact CD2-CB 3.78Å; W177-C215 HydrophobicContact CE3-CB 3.73Å; W177-C215 HydrophobicContact CH2-CB 4Å; W177-C215 HydrophobicContact CZ2-CB 4.06Å; W177-C215 HydrophobicContact CZ3-CB 3.82Å; C215-S225 CarbonylContact O-C 3.56Å; C215-S225 WeakPolarHBondContact O-CA 3.26Å; C215-S225 WeakPolarHBondContact O-CB 3.24Å; C215-C226 PolarHBondContact N-O 3.47Å; C215-C226 PolarHBondContact O-N 2.91Å |
| 216 | L | 97.5 | Very high | 95.7 | Very high | 63 Ų | 63 | 45.4 Ų | 45.4 | 33% | 0.33 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 117.3 | 167.9 | -179.4 | 66.7 | 0 | 0 | 0 | 108.9 | Y175 S176 K218 | Y175-L216 CarbonylContact C-O 3.59Å; Y175-L216 WeakPolarHBondContact CA-O 3.35Å; S176-L216 PolarHBondContact N-O 2.86Å; S176-L216 PolarHBondContact O-N 3.32Å; L216-K218 HydrophobicContact CG-CB 4.48Å |
| 217 | S | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 122.3 | 169.1 | 178.9 | 0 | 0 | 0 | 0 | 108.5 | P143 S166 P173 Y175 S223 A224 | P143-S217 VanDerWaalsContact CB-OG 3.31Å; P143-S217 WeakPolarHBondContact CB-OG 3.32Å; S166-S217 WeakPolarHBondContact OG-CB 3.38Å; S166-S217 PolarHBondContact OG-OG 3.19Å; P173-S217 VanDerWaalsContact CB-OG 3.25Å; P173-S217 WeakPolarHBondContact CB-OG 3.45Å; P173-S217 WeakPolarHBondContact CG-OG 3.48Å; Y175-S217 WeakPolarHBondContact CE1-OG 3.4Å; S217-S223 CarbonylContact O-C 3.58Å; S217-S223 WeakPolarHBondContact O-CA 3.36Å; S217-S223 VanDerWaalsContact O-CB 3.31Å; S217-S223 WeakPolarHBondContact O-CB 3.49Å; S217-A224 WeakPolarHBondContact CB-O 3.37Å; S217-A224 PolarHBondContact N-O 2.82Å; S217-A224 PolarHBondContact O-N 2.88Å; S217-A224 VanDerWaalsContact O-O 3.08Å |
| 218 | K | 96.8 | Very high | 96.1 | Very high | 117 Ų | 117 | 43.8 Ų | 43.8 | 51% | 0.509 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 134 | -172.5 | 178.9 | 169.7 | -178.9 | 179.7 | 0 | 113 | P173 V174 L216 | P173-K218 CarbonylContact C-O 3.59Å; P173-K218 WeakPolarHBondContact CA-O 3.42Å; V174-K218 PolarHBondContact N-O 2.84Å; V174-K218 PolarHBondContact O-N 2.83Å; L216-K218 HydrophobicContact CG-CB 4.48Å |
| 219 | N | 95.9 | Very high | 96.3 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | trans | -122 | -164.8 | 163.4 | 69.7 | 13.3 | 0 | 0 | 0 | 110.4 | E141 P143 S170 P171 V221 G222 | E141-N219 PolarHBondContact O-ND2 2.83Å; P143-N219 HydrophobicContact CG-CB 4.29Å; S170-N219 PolarHBondContact O-ND2 2.97Å; P171-N219 WeakPolarHBondContact O-CB 3.39Å; P171-N219 PolarHBondContact O-ND2 3.28Å; N219-V221 VanDerWaalsContact C-N 3.31Å; N219-V221 WeakPolarHBondContact OD1-CA 3.39Å; N219-V221 WeakPolarHBondContact OD1-CB 3.45Å; N219-V221 PolarHBondContact OD1-N 2.83Å; N219-G222 PolarHBondContact N-O 2.71Å; N219-G222 PolarHBondContact OD1-N 2.86Å; N219-G222 PolarHBondContact OD1-O 2.7Å | ||
| 220 | N | 94.4 | Very high | 96.5 | Very high | 105 Ų | 105 | 41.7 Ų | 41.7 | 56% | 0.561 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -81.7 | -5.7 | 178.2 | 67.6 | -59.5 | 0 | 0 | 0 | 114.1 | P171 | P171-N220 WeakPolarHBondContact CD-OD1 3.42Å; P171-N220 VanDerWaalsContact CG-OD1 3.29Å; P171-N220 WeakPolarHBondContact CG-OD1 3.28Å |
| 221 | V | 94.9 | Very high | 96.5 | Very high | 60 Ų | 60 | 44.3 Ų | 44.3 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -96.3 | -38 | 179.6 | -162.5 | 0 | 0 | 0 | 0 | 110.6 | L140 P142 S170 N219 | L140-V221 HydrophobicContact CB-CG2 3.84Å; L140-V221 HydrophobicContact CD1-CG2 4.33Å; P142-V221 HydrophobicContact CB-CB 4.39Å; P142-V221 HydrophobicContact CB-CG1 4.36Å; S170-V221 WeakPolarHBondContact O-CG2 3.42Å; N219-V221 VanDerWaalsContact C-N 3.31Å; N219-V221 WeakPolarHBondContact OD1-CA 3.39Å; N219-V221 WeakPolarHBondContact OD1-CB 3.45Å; N219-V221 PolarHBondContact OD1-N 2.83Å |
| 222 | G | 95.8 | Very high | 96.5 | Very high | 23 Ų | 23 | 44.5 Ų | 44.5 | 24% | 0.237 | 26% | 0.261 | C | S | . | . | trans | -175.6 | -165.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P143 N219 | P143-G222 VanDerWaalsContact CD-O 3.32Å; P143-G222 WeakPolarHBondContact CD-O 3.47Å; N219-G222 PolarHBondContact N-O 2.71Å; N219-G222 PolarHBondContact OD1-N 2.86Å; N219-G222 PolarHBondContact OD1-O 2.7Å | ||
| 223 | S | 97.4 | Very high | 96.3 | Very high | 70 Ų | 70 | 48.3 Ų | 48.3 | 49% | 0.49 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 144.8 | 177.4 | 58.1 | 0 | 0 | 0 | 0 | 112.2 | S217 | S217-S223 CarbonylContact O-C 3.58Å; S217-S223 WeakPolarHBondContact O-CA 3.36Å; S217-S223 VanDerWaalsContact O-CB 3.31Å; S217-S223 WeakPolarHBondContact O-CB 3.49Å |
| 224 | A | 98 | Very high | 95.9 | Very high | 21 Ų | 21 | 51.5 Ų | 51.5 | 17% | 0.174 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 161.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | P143 S217 | P143-A224 WeakPolarHBondContact O-CB 3.36Å; S217-A224 WeakPolarHBondContact CB-O 3.37Å; S217-A224 PolarHBondContact N-O 2.82Å; S217-A224 PolarHBondContact O-N 2.88Å; S217-A224 VanDerWaalsContact O-O 3.08Å |
| 225 | S | 97.6 | Very high | 95.3 | Very high | 59 Ų | 59 | 52.7 Ų | 52.7 | 41% | 0.413 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 156.5 | -175.4 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | C215 | C215-S225 CarbonylContact O-C 3.56Å; C215-S225 WeakPolarHBondContact O-CA 3.26Å; C215-S225 WeakPolarHBondContact O-CB 3.24Å |
| 226 | C | 97.3 | Very high | 94.3 | Very high | 10 Ų | 10 | 57.6 Ų | 57.6 | 7% | 0.068 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 137 | 166.7 | 55.3 | 0 | 0 | 0 | 0 | 110.2 | P146 C148 I214 C215 | P146-C226 HydrophobicContact CG-CB 4.15Å; P146-C226 VanDerWaalsContact O-CB 3.22Å; P146-C226 WeakPolarHBondContact O-CB 3.31Å; P146-C226 PolarHBondContact O-SG 2.87Å; P146-C226 VanDerWaalsContact O-SG 3.42Å; C148-C226 HydrophobicContact CB-CB 3.88Å; C148-C226 WeakPolarHBondContact CB-SG 3.49Å; C148-C226 PolarHBondContact N-SG 3.41Å; C148-C226 VanDerWaalsContact N-SG 3.39Å; C148-C226 WeakPolarHBondContact SG-CB 3.28Å; C148-C226 CovalentContact SG-SG 2.04Å; C148-C226 PolarHBondContact SG-SG 2.7Å; I214-C226 WeakPolarHBondContact CA-O 3.01Å; C215-C226 PolarHBondContact N-O 3.47Å; C215-C226 PolarHBondContact O-N 2.91Å |
| 227 | N | 96.9 | Very high | 92.8 | Very high | 91 Ų | 91 | 65.4 Ų | 65.4 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123 | 172 | -179.4 | -4.8 | 0 | 0 | 0 | 107.8 | I214 | I214-N227 HydrophobicContact CG1-CB 4.11Å |
| 228 | F | 95.8 | Very high | 91 | Very high | 43 Ų | 43 | 67.5 Ų | 67.5 | 19% | 0.189 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122 | 178.1 | -174.4 | -88.2 | 0 | 0 | 0 | 110 | C148 L150 L162 F213 L230 | C148-F228 HydrophobicContact CB-CB 3.94Å; C148-F228 HydrophobicContact CB-CD2 4.05Å; C148-F228 HydrophobicContact CB-CG 4.39Å; L150-F228 HydrophobicContact CB-CE1 4.3Å; L150-F228 HydrophobicContact CB-CE2 4.27Å; L150-F228 HydrophobicContact CB-CZ 3.64Å; L150-F228 HydrophobicContact CD2-CZ 4.42Å; L162-F228 HydrophobicContact CD1-CD1 4.05Å; L162-F228 HydrophobicContact CD2-CD1 3.73Å; L162-F228 HydrophobicContact CD2-CE1 3.58Å; L162-F228 HydrophobicContact CD2-CG 4.41Å; L162-F228 HydrophobicContact CD2-CZ 4.14Å; F213-F228 PolarHBondContact N-O 2.88Å; F213-F228 PolarHBondContact O-N 2.81Å; F228-L230 HydrophobicContact CD1-CB 4.44Å; F228-L230 HydrophobicContact CE1-CB 4.31Å; F228-L230 HydrophobicContact CE1-CD1 4.33Å |
| 229 | T | 96.4 | Very high | 89.2 | Confident | 88 Ų | 88 | 70.9 Ų | 70.9 | 54% | 0.54 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 112.5 | 175.4 | -51.7 | 0 | 0 | 0 | 0 | 109.8 | G211 F212 | G211-T229 WeakPolarHBondContact O-CA 3Å; F212-T229 HydrophobicContact CD1-CG2 4.23Å; F212-T229 WeakPolarHBondContact CD1-OG1 3.4Å; F212-T229 HydrophobicContact CE1-CG2 3.95Å; F212-T229 WeakPolarHBondContact CE1-OG1 3.22Å |
| 230 | L | 95.8 | Very high | 87.4 | Confident | 3 Ų | 3 | 73.7 Ų | 73.7 | 2% | 0.016 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.3 | 173.2 | -178.2 | 66.7 | 0 | 0 | 0 | 109.6 | A154 I160 L202 S210 G211 F213 F228 V232 | A154-L230 HydrophobicContact CB-CD1 3.82Å; I160-L230 HydrophobicContact CD1-CD1 3.71Å; I160-L230 HydrophobicContact CD1-CD2 3.78Å; I160-L230 HydrophobicContact CD1-CG 4.41Å; L202-L230 HydrophobicContact CD1-CD2 4.28Å; S210-L230 CarbonylContact C-O 3.58Å; S210-L230 VanDerWaalsContact CA-O 3.24Å; S210-L230 WeakPolarHBondContact CA-O 3.49Å; S210-L230 WeakPolarHBondContact CB-O 3.48Å; G211-L230 PolarHBondContact N-O 2.85Å; G211-L230 PolarHBondContact O-N 2.86Å; F213-L230 HydrophobicContact CD2-CB 3.76Å; F213-L230 HydrophobicContact CD2-CD2 4.35Å; F213-L230 HydrophobicContact CE2-CB 3.69Å; F213-L230 HydrophobicContact CE2-CD2 3.65Å; F213-L230 HydrophobicContact CE2-CG 4.31Å; F213-L230 HydrophobicContact CZ-CD2 4.02Å; F228-L230 HydrophobicContact CD1-CB 4.44Å; F228-L230 HydrophobicContact CE1-CB 4.31Å; F228-L230 HydrophobicContact CE1-CD1 4.33Å; L230-V232 HydrophobicContact CD1-CG2 4.39Å; L230-V232 HydrophobicContact CD2-CG2 3.96Å; L230-V232 HydrophobicContact CG-CG2 3.92Å |
| 231 | A | 94.9 | Very high | 85.9 | Confident | 65 Ų | 65 | 71.1 Ų | 71.1 | 54% | 0.537 | 43% | 0.425 | S | S | . | . | trans | -121.3 | 109.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109 | A154 | A154-A231 WeakPolarHBondContact CB-O 3.35Š| ||
| 232 | V | 94.9 | Very high | 84.6 | Confident | 6 Ų | 6 | 71.7 Ų | 71.7 | 4% | 0.036 | 43% | 0.428 | C | S | . | . | trans | -92.5 | 126.1 | 179.6 | -166.4 | 0 | 0 | 0 | 0 | 109.6 | A154 Y156 V205 T209 S210 L230 | A154-V232 HydrophobicContact CB-CG2 4.41Å; A154-V232 WeakPolarHBondContact O-CA 3.48Å; Y156-V232 HydrophobicContact CD1-CB 4.43Å; Y156-V232 HydrophobicContact CD1-CG1 3.7Å; Y156-V232 HydrophobicContact CE1-CB 4.46Å; Y156-V232 HydrophobicContact CE1-CG1 4.2Å; Y156-V232 WeakPolarHBondContact CE1-O 3.49Å; V205-V232 HydrophobicContact CB-CG1 4.26Å; V205-V232 HydrophobicContact CB-CG2 4.26Å; V205-V232 HydrophobicContact CG2-CG1 3.7Å; V205-V232 HydrophobicContact CG2-CG2 4.26Å; T209-V232 WeakPolarHBondContact OG1-CG2 3.48Å; S210-V232 PolarHBondContact OG-N 2.95Å; L230-V232 HydrophobicContact CD1-CG2 4.39Å; L230-V232 HydrophobicContact CD2-CG2 3.96Å; L230-V232 HydrophobicContact CG-CG2 3.92Å | ||
| 233 | M | 92.1 | Very high | 83.6 | Confident | 126 Ų | 126 | 72.4 Ų | 72.4 | 62% | 0.621 | 44% | 0.436 | S | S | * | . | B | Isolated β-bridge | trans | -113.3 | 158.5 | -174.3 | -75.5 | -69 | -152.8 | 0 | 0 | 111.7 | A154 E155 Y156 | A154-M233 PolarHBondContact O-N 2.93Å; E155-M233 CarbonylContact C-O 3.44Å; E155-M233 VanDerWaalsContact CA-O 3.29Å; E155-M233 WeakPolarHBondContact CA-O 3.34Å; Y156-M233 WeakPolarHBondContact CD1-O 3.34Å; Y156-M233 PolarHBondContact N-O 2.86Å |
| 234 | P | 89.3 | Confident | 82.7 | Confident | 70 Ų | 70 | 74.9 Ų | 74.9 | 46% | 0.455 | 44% | 0.442 | S | S | . | . | trans | -61.4 | 144.6 | 164.3 | 27.6 | -33.7 | 0 | 0 | 0 | 110.5 | Y156 S236 | Y156-P234 VanDerWaalsContact CD2-CA 3.45Å; Y156-P234 HydrophobicContact CD2-CB 3.82Å; Y156-P234 HydrophobicContact CE2-CB 3.67Å; Y156-P234 HydrophobicContact CE2-CG 4.23Å; P234-S236 PolarHBondContact O-N 2.99Å | ||
| 235 | P | 85 | Confident | 81.9 | Confident | 70 Ų | 70 | 79.1 Ų | 79.1 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | trans | -56.5 | 122.7 | 174.5 | 24.1 | -34.5 | 0 | 0 | 0 | 109.9 | E155 R237 | E155-P235 HydrophobicContact CB-CB 4.47Å; E155-P235 WeakPolarHBondContact OE2-CA 3.25Å; E155-P235 VanDerWaalsContact OE2-CB 3.23Å; E155-P235 WeakPolarHBondContact OE2-CB 3.27Å; P235-R237 PolarHBondContact O-N 2.79Å | ||
| 236 | S | 74.7 | Confident | 81.4 | Confident | 104 Ų | 104 | 81.5 Ų | 81.5 | 73% | 0.727 | 47% | 0.468 | S | S | * | . | trans | -74.7 | 102.4 | -173.7 | 52 | 0 | 0 | 0 | 0 | 110.2 | P234 G238 | P234-S236 PolarHBondContact O-N 2.99Å; S236-G238 PolarHBondContact O-N 2.93Å | ||
| 237 | R | 67 | Low | 80.8 | Confident | 227 Ų | 227 | 83.9 Ų | 83.9 | 86% | 0.857 | 49% | 0.488 | S | S | * | . | trans | -58.7 | 103.2 | 165.1 | -73.5 | -169.5 | 176.7 | 103.6 | -1.5 | 107.9 | P235 | P235-R237 PolarHBondContact O-N 2.79Š| ||
| 238 | G | 59.9 | Low | 80.5 | Confident | 44 Ų | 44 | 82.6 Ų | 82.6 | 45% | 0.454 | 49% | 0.49 | S | S | . | . | trans | -57.9 | 146.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S236 A240 S241 | S236-G238 PolarHBondContact O-N 2.93Å; G238-A240 PolarHBondContact O-N 3.19Å; G238-S241 PolarHBondContact O-N 2.66Å; G238-S241 PolarHBondContact O-OG 3.27Å | ||
| 239 | F | 58.3 | Low | 80.5 | Confident | 187 Ų | 187 | 84.5 Ų | 84.5 | 82% | 0.82 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -17.1 | -173.6 | -61.4 | -82 | 0 | 0 | 0 | 115.3 | S241 T242 G243 | F239-S241 VanDerWaalsContact C-N 3.27Å; F239-S241 PolarHBondContact O-N 2.67Å; F239-T242 PolarHBondContact O-N 2.68Å; F239-T242 VanDerWaalsContact O-N 3.09Å; F239-G243 PolarHBondContact O-N 2.94Å |
| 240 | A | 58.2 | Low | 80.4 | Confident | 75 Ų | 75 | 82.7 Ų | 82.7 | 62% | 0.62 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -49.3 | -41.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G238 T242 G243 I244 | G238-A240 PolarHBondContact O-N 3.19Å; A240-T242 VanDerWaalsContact C-N 3.33Å; A240-T242 PolarHBondContact O-N 2.99Å; A240-G243 PolarHBondContact O-N 3.39Å; A240-I244 WeakPolarHBondContact O-CG1 3.37Å; A240-I244 PolarHBondContact O-N 2.77Å; A240-I244 VanDerWaalsContact O-N 3.08Å |
| 241 | S | 63.2 | Low | 80.3 | Confident | 52 Ų | 52 | 85.3 Ų | 85.3 | 36% | 0.364 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -38.3 | 178 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | G238 F239 I245 | G238-S241 PolarHBondContact O-N 2.66Å; G238-S241 PolarHBondContact O-OG 3.27Å; F239-S241 VanDerWaalsContact C-N 3.27Å; F239-S241 PolarHBondContact O-N 2.67Å; S241-I245 WeakPolarHBondContact O-CD1 3.4Å; S241-I245 WeakPolarHBondContact O-CG1 3.37Å; S241-I245 PolarHBondContact O-N 3.3Å |
| 242 | T | 68.9 | Low | 80.3 | Confident | 72 Ų | 72 | 84.1 Ų | 84.1 | 44% | 0.442 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.2 | -40.1 | 178.3 | -37.5 | 0 | 0 | 0 | 0 | 111.1 | F239 A240 I244 I245 I246 | F239-T242 PolarHBondContact O-N 2.68Å; F239-T242 VanDerWaalsContact O-N 3.09Å; A240-T242 VanDerWaalsContact C-N 3.33Å; A240-T242 PolarHBondContact O-N 2.99Å; T242-I244 PolarHBondContact O-N 2.85Å; T242-I245 PolarHBondContact O-N 3.35Å; T242-I246 HydrophobicContact CG2-CD1 4.03Å; T242-I246 WeakPolarHBondContact O-CG1 3.35Å; T242-I246 PolarHBondContact O-N 2.88Å |
| 243 | G | 74.3 | Confident | 80.3 | Confident | 38 Ų | 38 | 89.4 Ų | 89.4 | 39% | 0.392 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F239 A240 I246 A247 | F239-G243 PolarHBondContact O-N 2.94Å; A240-G243 PolarHBondContact O-N 3.39Å; G243-I246 PolarHBondContact O-N 2.95Å; G243-A247 VanDerWaalsContact O-CB 3.32Å; G243-A247 WeakPolarHBondContact O-CB 3.3Å; G243-A247 PolarHBondContact O-N 3.37Å |
| 244 | I | 78.5 | Confident | 80.5 | Confident | 122 Ų | 122 | 89.2 Ų | 89.2 | 63% | 0.626 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.2 | -43.7 | 176 | -68.5 | 165.1 | 0 | 0 | 0 | 111.1 | A240 T242 A247 A248 | A240-I244 WeakPolarHBondContact O-CG1 3.37Å; A240-I244 PolarHBondContact O-N 2.77Å; A240-I244 VanDerWaalsContact O-N 3.08Å; T242-I244 PolarHBondContact O-N 2.85Å; I244-A247 PolarHBondContact O-N 2.89Å; I244-A248 WeakPolarHBondContact O-CB 3.47Å; I244-A248 PolarHBondContact O-N 2.83Å |
| 245 | I | 81.8 | Confident | 80.7 | Confident | 110 Ų | 110 | 88.2 Ų | 88.2 | 56% | 0.564 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.8 | -46.2 | 178.3 | -66 | 165.5 | 0 | 0 | 0 | 110.8 | S241 T242 A247 A248 V249 | S241-I245 WeakPolarHBondContact O-CD1 3.4Å; S241-I245 WeakPolarHBondContact O-CG1 3.37Å; S241-I245 PolarHBondContact O-N 3.3Å; T242-I245 PolarHBondContact O-N 3.35Å; I245-A247 PolarHBondContact O-N 2.81Å; I245-A248 PolarHBondContact O-N 2.84Å; I245-V249 WeakPolarHBondContact O-CG2 3.24Å; I245-V249 PolarHBondContact O-N 3.47Å |
| 246 | I | 85.4 | Confident | 81.1 | Confident | 109 Ų | 109 | 89.4 Ų | 89.4 | 56% | 0.559 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.6 | -43.8 | 178.6 | -67.7 | 165.9 | 0 | 0 | 0 | 110.9 | T242 G243 V249 A250 | T242-I246 HydrophobicContact CG2-CD1 4.03Å; T242-I246 WeakPolarHBondContact O-CG1 3.35Å; T242-I246 PolarHBondContact O-N 2.88Å; G243-I246 PolarHBondContact O-N 2.95Å; I246-V249 PolarHBondContact O-N 2.9Å; I246-A250 WeakPolarHBondContact O-CB 3.41Å; I246-A250 PolarHBondContact O-N 2.97Å |
| 247 | A | 86.4 | Confident | 82 | Confident | 59 Ų | 59 | 86.3 Ų | 86.3 | 49% | 0.488 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G243 I244 I245 A250 A251 | G243-A247 VanDerWaalsContact O-CB 3.32Å; G243-A247 WeakPolarHBondContact O-CB 3.3Å; G243-A247 PolarHBondContact O-N 3.37Å; I244-A247 PolarHBondContact O-N 2.89Å; I245-A247 PolarHBondContact O-N 2.81Å; A247-A250 PolarHBondContact O-N 2.8Å; A247-A251 WeakPolarHBondContact O-CB 3.3Å; A247-A251 PolarHBondContact O-N 2.91Å |
| 248 | A | 90.1 | Very high | 83.3 | Confident | 64 Ų | 64 | 80.5 Ų | 80.5 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | I244 I245 G252 | I244-A248 WeakPolarHBondContact O-CB 3.47Å; I244-A248 PolarHBondContact O-N 2.83Å; I245-A248 PolarHBondContact O-N 2.84Å; A248-G252 PolarHBondContact O-N 3.27Å |
| 249 | V | 94.9 | Very high | 84.8 | Confident | 84 Ų | 84 | 83.4 Ų | 83.4 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | I245 I246 G252 L253 | I245-V249 WeakPolarHBondContact O-CG2 3.24Å; I245-V249 PolarHBondContact O-N 3.47Å; I246-V249 PolarHBondContact O-N 2.9Å; V249-G252 PolarHBondContact O-N 3.19Å; V249-L253 HydrophobicContact CG1-CD1 3.98Å; V249-L253 HydrophobicContact CG1-CG 4.45Å; V249-L253 WeakPolarHBondContact O-CG 3.45Å; V249-L253 PolarHBondContact O-N 3.01Å |
| 250 | A | 94.4 | Very high | 86.4 | Confident | 49 Ų | 49 | 79 Ų | 79 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I246 A247 L253 L254 | I246-A250 WeakPolarHBondContact O-CB 3.41Å; I246-A250 PolarHBondContact O-N 2.97Å; A247-A250 PolarHBondContact O-N 2.8Å; A250-L253 PolarHBondContact O-N 2.04Å; A250-L254 WeakPolarHBondContact O-CG 3.41Å; A250-L254 PolarHBondContact O-N 2.81Å |
| 251 | A | 94.3 | Very high | 87.9 | Confident | 58 Ų | 58 | 80.7 Ų | 80.7 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A247 L254 A255 | A247-A251 WeakPolarHBondContact O-CB 3.3Å; A247-A251 PolarHBondContact O-N 2.91Å; A251-L254 PolarHBondContact O-N 2.84Å; A251-A255 WeakPolarHBondContact O-CB 3.19Å; A251-A255 PolarHBondContact O-N 3.01Å |
| 252 | G | 94.8 | Very high | 89 | Confident | 40 Ų | 40 | 81.6 Ų | 81.6 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A248 V249 A255 L256 | A248-G252 PolarHBondContact O-N 3.27Å; V249-G252 PolarHBondContact O-N 3.19Å; G252-A255 PolarHBondContact O-N 3.29Å; G252-L256 WeakPolarHBondContact O-CB 3.16Å; G252-L256 PolarHBondContact O-N 2.82Å |
| 253 | L | 95.5 | Very high | 89.8 | Confident | 118 Ų | 118 | 82 Ų | 82 | 62% | 0.618 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.2 | -39.9 | 176.9 | -71.1 | 171.4 | 0 | 0 | 0 | 112.4 | V249 A250 L256 G257 | V249-L253 HydrophobicContact CG1-CD1 3.98Å; V249-L253 HydrophobicContact CG1-CG 4.45Å; V249-L253 WeakPolarHBondContact O-CG 3.45Å; V249-L253 PolarHBondContact O-N 3.01Å; A250-L253 PolarHBondContact O-N 2.04Å; L253-L256 PolarHBondContact O-N 2.95Å; L253-G257 PolarHBondContact O-N 2.81Å |
| 254 | L | 95.1 | Very high | 90.2 | Very high | 122 Ų | 122 | 83.6 Ų | 83.6 | 64% | 0.639 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.6 | -46.8 | 173.8 | -78.7 | 167.9 | 0 | 0 | 0 | 111.9 | A250 A251 L256 G257 I258 | A250-L254 WeakPolarHBondContact O-CG 3.41Å; A250-L254 PolarHBondContact O-N 2.81Å; A251-L254 PolarHBondContact O-N 2.84Å; L254-L256 VanDerWaalsContact C-N 3.35Å; L254-L256 PolarHBondContact O-N 3.42Å; L254-G257 PolarHBondContact O-N 2.79Å; L254-I258 VanDerWaalsContact O-CG1 3.31Å; L254-I258 WeakPolarHBondContact O-CG1 3.31Å; L254-I258 PolarHBondContact O-N 2.77Å |
| 255 | A | 93.8 | Very high | 90.2 | Very high | 48 Ų | 48 | 85.6 Ų | 85.6 | 40% | 0.397 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | A251 G252 I258 I259 | A251-A255 WeakPolarHBondContact O-CB 3.19Å; A251-A255 PolarHBondContact O-N 3.01Å; G252-A255 PolarHBondContact O-N 3.29Å; A255-I258 PolarHBondContact O-N 2.82Å; A255-I259 VanDerWaalsContact O-CG1 3.28Å; A255-I259 WeakPolarHBondContact O-CG1 3.44Å; A255-I259 PolarHBondContact O-N 2.81Å |
| 256 | L | 94.3 | Very high | 89.6 | Confident | 96 Ų | 96 | 89.6 Ų | 89.6 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 178 | -149.6 | 168.1 | 0 | 0 | 0 | 111.2 | G252 L253 L254 I259 I260 | G252-L256 WeakPolarHBondContact O-CB 3.16Å; G252-L256 PolarHBondContact O-N 2.82Å; L253-L256 PolarHBondContact O-N 2.95Å; L254-L256 VanDerWaalsContact C-N 3.35Å; L254-L256 PolarHBondContact O-N 3.42Å; L256-I259 PolarHBondContact O-N 2.86Å; L256-I260 HydrophobicContact CD2-CD1 3.47Å; L256-I260 VanDerWaalsContact CD2-CD1 3.47Å; L256-I260 HydrophobicContact CD2-CG1 3.98Å; L256-I260 WeakPolarHBondContact O-CG1 3.35Å; L256-I260 PolarHBondContact O-N 2.96Å |
| 257 | G | 93.6 | Very high | 88.6 | Confident | 38 Ų | 38 | 90.9 Ų | 90.9 | 39% | 0.392 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L253 L254 I260 F261 | L253-G257 PolarHBondContact O-N 2.81Å; L254-G257 PolarHBondContact O-N 2.79Å; G257-I260 PolarHBondContact O-N 3.11Å; G257-F261 WeakPolarHBondContact O-CB 3.17Å; G257-F261 PolarHBondContact O-N 2.92Å |
| 258 | I | 92.5 | Very high | 87.3 | Confident | 106 Ų | 106 | 93.5 Ų | 93.5 | 54% | 0.544 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 174.6 | -68.5 | 163.5 | 0 | 0 | 0 | 110.9 | L254 A255 F261 C262 | L254-I258 VanDerWaalsContact O-CG1 3.31Å; L254-I258 WeakPolarHBondContact O-CG1 3.31Å; L254-I258 PolarHBondContact O-N 2.77Å; A255-I258 PolarHBondContact O-N 2.82Å; I258-F261 PolarHBondContact O-N 3.13Å; I258-C262 WeakPolarHBondContact O-CB 3.12Å; I258-C262 PolarHBondContact O-N 3.31Å; I258-C262 PolarHBondContact O-SG 2.93Å; I258-C262 VanDerWaalsContact O-SG 3.34Å |
| 259 | I | 91.8 | Very high | 85.7 | Confident | 105 Ų | 105 | 97.6 Ų | 97.6 | 54% | 0.538 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.9 | -47 | 176.8 | -70.3 | 163.1 | 0 | 0 | 0 | 110.8 | A255 L256 F261 C262 C263 | A255-I259 VanDerWaalsContact O-CG1 3.28Å; A255-I259 WeakPolarHBondContact O-CG1 3.44Å; A255-I259 PolarHBondContact O-N 2.81Å; L256-I259 PolarHBondContact O-N 2.86Å; I259-F261 PolarHBondContact O-N 3.33Å; I259-C262 PolarHBondContact O-N 3.29Å; I259-C263 WeakPolarHBondContact O-CB 3.28Å; I259-C263 PolarHBondContact O-N 2.95Å; I259-C263 PolarHBondContact O-SG 2.87Å; I259-C263 VanDerWaalsContact O-SG 3.33Å |
| 260 | I | 92 | Very high | 83.8 | Confident | 93 Ų | 93 | 99.6 Ų | 99.6 | 48% | 0.477 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.1 | -49.1 | 175.9 | -70.6 | 167.9 | 0 | 0 | 0 | 110.5 | L256 G257 C262 C263 C264 | L256-I260 HydrophobicContact CD2-CD1 3.47Å; L256-I260 VanDerWaalsContact CD2-CD1 3.47Å; L256-I260 HydrophobicContact CD2-CG1 3.98Å; L256-I260 WeakPolarHBondContact O-CG1 3.35Å; L256-I260 PolarHBondContact O-N 2.96Å; G257-I260 PolarHBondContact O-N 3.11Å; I260-C262 VanDerWaalsContact C-N 3.34Å; I260-C262 PolarHBondContact O-N 3.1Å; I260-C263 PolarHBondContact O-N 2.79Å; I260-C263 VanDerWaalsContact O-N 3.16Å; I260-C264 PolarHBondContact O-N 3.45Å; I260-C264 PolarHBondContact O-SG 2.75Å; I260-C264 VanDerWaalsContact O-SG 3.34Å |
| 261 | F | 89.8 | Confident | 81.7 | Confident | 111 Ų | 111 | 103.8 Ų | 103.8 | 49% | 0.487 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.7 | -42 | 179.6 | -178.9 | -111.7 | 0 | 0 | 0 | 112.7 | G257 I258 I259 R265 | G257-F261 WeakPolarHBondContact O-CB 3.17Å; G257-F261 PolarHBondContact O-N 2.92Å; I258-F261 PolarHBondContact O-N 3.13Å; I259-F261 PolarHBondContact O-N 3.33Å; F261-R265 VanDerWaalsContact CZ-NE 3.33Å; F261-R265 WeakPolarHBondContact O-CB 3.46Å; F261-R265 PolarHBondContact O-N 2.81Å |
| 262 | C | 86.9 | Confident | 79.6 | Confident | 72 Ų | 72 | 104.5 Ų | 104.5 | 49% | 0.486 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.5 | -42.6 | 174.2 | -75 | 0 | 0 | 0 | 0 | 112.2 | I258 I259 I260 R265 R266 | I258-C262 WeakPolarHBondContact O-CB 3.12Å; I258-C262 PolarHBondContact O-N 3.31Å; I258-C262 PolarHBondContact O-SG 2.93Å; I258-C262 VanDerWaalsContact O-SG 3.34Å; I259-C262 PolarHBondContact O-N 3.29Å; I260-C262 VanDerWaalsContact C-N 3.34Å; I260-C262 PolarHBondContact O-N 3.1Å; C262-R265 PolarHBondContact O-N 2.82Å; C262-R266 WeakPolarHBondContact O-CB 3.41Å; C262-R266 PolarHBondContact O-N 3.27Å |
| 263 | C | 85.6 | Confident | 77.4 | Confident | 81 Ų | 81 | 109.7 Ų | 109.7 | 55% | 0.547 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.5 | -45.4 | 176 | -73.1 | 0 | 0 | 0 | 0 | 112.3 | I259 I260 R266 K267 | I259-C263 WeakPolarHBondContact O-CB 3.28Å; I259-C263 PolarHBondContact O-N 2.95Å; I259-C263 PolarHBondContact O-SG 2.87Å; I259-C263 VanDerWaalsContact O-SG 3.33Å; I260-C263 PolarHBondContact O-N 2.79Å; I260-C263 VanDerWaalsContact O-N 3.16Å; C263-R266 PolarHBondContact O-N 3.42Å; C263-K267 PolarHBondContact O-N 3.24Å |
| 264 | C | 81.8 | Confident | 74.9 | Confident | 71 Ų | 71 | 111 Ų | 111 | 48% | 0.48 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60 | -47.5 | 174.4 | -67 | 0 | 0 | 0 | 0 | 111.7 | I260 R266 K267 N268 | I260-C264 PolarHBondContact O-N 3.45Å; I260-C264 PolarHBondContact O-SG 2.75Å; I260-C264 VanDerWaalsContact O-SG 3.34Å; C264-R266 VanDerWaalsContact C-N 3.3Å; C264-R266 PolarHBondContact O-N 3.41Å; C264-K267 PolarHBondContact O-N 3.42Å; C264-N268 PolarHBondContact O-N 3.33Å; C264-N268 VanDerWaalsContact O-N 3.14Å; C264-N268 PolarHBondContact O-OD1 3.1Å; C264-N268 VanDerWaalsContact O-OD1 3.12Å |
| 265 | R | 78.7 | Confident | 72.4 | Confident | 164 Ų | 164 | 115.1 Ų | 115.1 | 62% | 0.619 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64 | -31.7 | 176.8 | -81.6 | -174.7 | 156.2 | -173.4 | -4.2 | 113.6 | F261 C262 K269 | F261-R265 VanDerWaalsContact CZ-NE 3.33Å; F261-R265 WeakPolarHBondContact O-CB 3.46Å; F261-R265 PolarHBondContact O-N 2.81Å; C262-R265 PolarHBondContact O-N 2.82Å; R265-K269 PolarHBondContact O-N 3.49Å |
| 266 | R | 70.6 | Confident | 69.5 | Low | 194 Ų | 194 | 116.9 Ų | 116.9 | 73% | 0.732 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71.8 | -39 | 176 | -158 | 172.3 | -167.9 | 170.1 | 2.9 | 111.4 | C262 C263 C264 K269 N270 | C262-R266 WeakPolarHBondContact O-CB 3.41Å; C262-R266 PolarHBondContact O-N 3.27Å; C263-R266 PolarHBondContact O-N 3.42Å; C264-R266 VanDerWaalsContact C-N 3.3Å; C264-R266 PolarHBondContact O-N 3.41Å; R266-K269 PolarHBondContact O-N 3.05Å; R266-N270 PolarHBondContact O-N 3Å; R266-N270 PolarHBondContact O-OD1 3.22Å |
| 267 | K | 64.7 | Low | 66.6 | Low | 136 Ų | 136 | 118 Ų | 118 | 59% | 0.591 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -59.9 | -48.4 | 173.8 | -167.2 | -178 | 177.7 | -168.3 | 0 | 111.7 | C263 C264 K269 N270 E271 | C263-K267 PolarHBondContact O-N 3.24Å; C264-K267 PolarHBondContact O-N 3.42Å; K267-K269 PolarHBondContact O-N 2.96Å; K267-K269 VanDerWaalsContact O-N 3.15Å; K267-N270 PolarHBondContact O-N 3.29Å; K267-N270 VanDerWaalsContact O-N 3.07Å; K267-E271 VanDerWaalsContact CE-OE1 3.32Å; K267-E271 WeakPolarHBondContact CE-OE1 3.45Å; K267-E271 PolarHBondContact O-N 3.14Å |
| 268 | N | 59.3 | Low | 64 | Low | 113 Ų | 113 | 125.3 Ų | 125.3 | 60% | 0.604 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -63.9 | -18.5 | 178.9 | -71.4 | 41.6 | 0 | 0 | 0 | 114.4 | C264 | C264-N268 PolarHBondContact O-N 3.33Å; C264-N268 VanDerWaalsContact O-N 3.14Å; C264-N268 PolarHBondContact O-OD1 3.1Å; C264-N268 VanDerWaalsContact O-OD1 3.12Å |
| 269 | K | 55.8 | Low | 61.4 | Low | 150 Ų | 150 | 123.7 Ų | 123.7 | 65% | 0.652 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -78.7 | -39.8 | 171 | -79.6 | -162.9 | 168.9 | -160.2 | 0 | 112.3 | R265 R266 K267 E271 A272 | R265-K269 PolarHBondContact O-N 3.49Å; R266-K269 PolarHBondContact O-N 3.05Å; K267-K269 PolarHBondContact O-N 2.96Å; K267-K269 VanDerWaalsContact O-N 3.15Å; K269-E271 PolarHBondContact O-N 3.48Å; K269-E271 VanDerWaalsContact O-N 3.12Å; K269-A272 WeakPolarHBondContact O-CB 3.33Å; K269-A272 PolarHBondContact O-N 3.37Å |
| 270 | N | 54 | Low | 59 | Low | 127 Ų | 127 | 125 Ų | 125 | 68% | 0.679 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -66.2 | -12.6 | 179 | -67.7 | 22.1 | 0 | 0 | 0 | 113.3 | R266 K267 | R266-N270 PolarHBondContact O-N 3Å; R266-N270 PolarHBondContact O-OD1 3.22Å; K267-N270 PolarHBondContact O-N 3.29Å; K267-N270 VanDerWaalsContact O-N 3.07Å |
| 271 | E | 51.8 | Low | 56.4 | Low | 137 Ų | 137 | 130.1 Ų | 130.1 | 64% | 0.64 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 1.8 | 174.6 | -67 | 172.1 | -167.4 | 0 | 0 | 112.9 | K267 K269 | K267-E271 VanDerWaalsContact CE-OE1 3.32Å; K267-E271 WeakPolarHBondContact CE-OE1 3.45Å; K267-E271 PolarHBondContact O-N 3.14Å; K269-E271 PolarHBondContact O-N 3.48Å; K269-E271 VanDerWaalsContact O-N 3.12Å |
| 272 | A | 48.7 | Very low | 53.9 | Low | 72 Ų | 72 | 129.9 Ų | 129.9 | 60% | 0.595 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -24.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | K269 | K269-A272 WeakPolarHBondContact O-CB 3.33Å; K269-A272 PolarHBondContact O-N 3.37Å |
| 273 | D | 49.4 | Very low | 51.6 | Low | 150 Ų | 150 | 136.3 Ų | 136.3 | 80% | 0.802 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -97 | 14.2 | -168.7 | -65.5 | -30.2 | 0 | 0 | 0 | 114.5 | ||
| 274 | D | 42.3 | Very low | 49.3 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | trans | -115.4 | 50.3 | -176.8 | -172 | 30.1 | 0 | 0 | 0 | 114 | ||||
| 275 | K | 42.5 | Very low | 47.8 | Very low | 209 Ų | 209 | 146.5 Ų | 146.5 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | trans | -146.3 | 100.6 | 167.1 | -72.2 | -163.1 | 178.3 | 176.7 | 0 | 114.5 | ||||
| 276 | G | 34.4 | Very low | 46.1 | Very low | 85 Ų | 85 | 147 Ų | 147 | 88% | 0.876 | 75% | 0.75 | S | S | * | * | trans | 97.2 | 147.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 277 | S | 33.3 | Very low | 44.6 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | cis | -147.9 | 152.1 | -2.7 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 278 | H | 39.2 | Very low | 43.3 | Very low | 191 Ų | 191 | 142.2 Ų | 142.2 | 88% | 0.884 | 76% | 0.758 | S | S | * | * | trans | -73.2 | 144.2 | 169 | -162.8 | 53.9 | 0 | 0 | 0 | 110.1 | ||||
| 279 | G | 36.2 | Very low | 43.2 | Very low | 71 Ų | 71 | 142.5 Ų | 142.5 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | trans | -179.6 | 67.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 280 | D | 41.8 | Very low | 42.2 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | trans | -23.4 | 142 | 173 | -174 | 17.7 | 0 | 0 | 0 | 119.4 | V282 | D280-V282 PolarHBondContact OD1-N 3.3Š| ||
| 281 | K | 37.7 | Very low | 41.4 | Very low | 199 Ų | 199 | 144 Ų | 144 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | trans | -163.8 | 94.3 | 152.5 | -113.8 | 162.2 | -171.1 | 172.5 | 0 | 115.1 | ||||
| 282 | V | 36.5 | Very low | 40.3 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 65% | 0.648 | 78% | 0.783 | S | S | * | * | trans | 46.3 | 122.7 | 132.1 | -175.7 | 0 | 0 | 0 | 0 | 120 | D280 | D280-V282 PolarHBondContact OD1-N 3.3Š| ||
| 283 | Y | 39.3 | Very low | 40.1 | Very low | 207 Ų | 207 | 146.1 Ų | 146.1 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -75.4 | 157.8 | 168 | -84.2 | -111.2 | 0 | 0 | 0 | 114.1 | ||||
| 284 | Y | 37.4 | Very low | 40.5 | Very low | 219 Ų | 219 | 143.4 Ų | 143.4 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | -134.4 | 130.5 | 154.5 | -82.5 | -82 | 0 | 0 | 0 | 110.2 | ||||
| 285 | D | 49.5 | Very low | 40.2 | Very low | 146 Ų | 146 | 146.9 Ų | 146.9 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -117.6 | 139.9 | 168.6 | -84.1 | -50.8 | 0 | 0 | 0 | 109.5 | ||||
| 286 | K | 42.9 | Very low | 40.3 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | 174.9 | 129.5 | 118.6 | -96.3 | -171.2 | 172.7 | -138 | 0 | 115 | |||||
| 287 | E | 39.6 | Very low | 40.8 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | 32.7 | 136.8 | 121.5 | -54.9 | 173.4 | 135.1 | 0 | 0 | 120.1 | |||||
| 288 | G | 36.7 | Very low | 41.3 | Very low | 73 Ų | 73 | 145.2 Ų | 145.2 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | -83.5 | -143.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 289 | P | 58.4 | Low | 41.5 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | cis | -144.5 | -161.9 | 18.9 | 44.4 | -23.5 | 0 | 0 | 0 | 116.4 | ||||
| 290 | E | 34.6 | Very low | 41.7 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | trans | 80.3 | 120.9 | 149.6 | -76.7 | -168.2 | 153.6 | 0 | 0 | 124.7 | ||||
| 291 | V | 36.8 | Very low | 41.5 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | trans | 70.3 | 133.1 | 132.4 | -179.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 292 | G | 30 | Very low | 41.6 | Very low | 67 Ų | 67 | 140.7 Ų | 140.7 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | cis | -164.5 | -170.1 | 8.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 293 | E | 43.8 | Very low | 41.6 | Very low | 186 Ų | 186 | 142.1 Ų | 142.1 | 87% | 0.869 | 74% | 0.737 | S | S | * | * | trans | -86.8 | -160.8 | -169.2 | -40.9 | -169.9 | 138.1 | 0 | 0 | 113.2 | ||||
| 294 | P | 57.4 | Low | 41.4 | Very low | 92 Ų | 92 | 140.3 Ų | 140.3 | 60% | 0.597 | 73% | 0.733 | S | S | * | * | cis | -141.6 | 161.6 | -6.5 | 25.8 | -0.8 | 0 | 0 | 0 | 118.5 | ||||
| 295 | Y | 35.7 | Very low | 41 | Very low | 218 Ų | 218 | 138.6 Ų | 138.6 | 86% | 0.855 | 73% | 0.73 | S | S | * | * | 177.4 | 168.3 | 105.3 | -109.9 | -82.1 | 0 | 0 | 0 | 115.1 | |||||
| 296 | M | 44.3 | Very low | 40 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | trans | -69.2 | 174.1 | -172.3 | -56.4 | -67.8 | -125.4 | 0 | 0 | 115.4 | ||||
| 297 | D | 44.8 | Very low | 39.2 | Very low | 122 Ų | 122 | 137 Ų | 137 | 65% | 0.652 | 73% | 0.725 | S | S | * | * | cis | -155.8 | -174.8 | 16 | -146 | 17.3 | 0 | 0 | 0 | 109.1 | ||||
| 298 | D | 44.3 | Very low | 38.6 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 54% | 0.54 | 72% | 0.724 | S | S | . | * | cis | -159.8 | -176.1 | 7.8 | -162.7 | 10.2 | 0 | 0 | 0 | 112.9 | ||||
| 299 | K | 43.1 | Very low | 38.1 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 71% | 0.709 | 72% | 0.723 | S | S | * | * | trans | -19.4 | 151.3 | 159.5 | -68.6 | 160.5 | -151 | 76.6 | 0 | 117.7 | ||||
| 300 | S | 41 | Very low | 36.7 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | cis | -173.8 | -170.1 | -10.1 | 62.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 301 | N | 38.4 | Very low | 36.3 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | cis | -159.5 | 156.7 | 0.2 | -117.8 | -10.8 | 0 | 0 | 0 | 106.2 | ||||
| 302 | T | 38.8 | Very low | 35.9 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | cis | 88 | 115.8 | 46 | -52 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 303 | E | 36.7 | Very low | 36 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 65% | 0.645 | 72% | 0.717 | S | S | * | * | cis | -163.6 | 158.1 | 12.4 | -124.9 | 179.8 | 177.5 | 0 | 0 | 117.1 | ||||
| 304 | K | 34.9 | Very low | 35.3 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 74% | 0.735 | 71% | 0.712 | S | S | * | * | trans | 34.1 | 156.1 | 132.9 | -74.8 | 169 | -152.8 | 163.3 | 0 | 122.4 | ||||
| 305 | K | 30.3 | Very low | 34 | Very low | 182 Ų | 182 | 144.9 Ų | 144.9 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | cis | -169.2 | 170.6 | -2.4 | 162.9 | 178.9 | 173.2 | -167.1 | 0 | 111.8 | ||||
| 306 | K | 27.7 | Very low | 34 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 79% | 0.787 | 72% | 0.718 | S | S | * | * | trans | -58.8 | 177.7 | -176.1 | -45.3 | 176.6 | 177.2 | -177.1 | 0 | 119.9 | ||||
| 307 | T | 25.9 | Very low | 33.9 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 64% | 0.644 | 71% | 0.712 | S | S | * | * | trans | 103.9 | 135 | 131.9 | 26.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 308 | N | 27.5 | Very low | 33.1 | Very low | 132 Ų | 132 | 139 Ų | 139 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | trans | 65.7 | 162.2 | 153.2 | -69.7 | 47 | 0 | 0 | 0 | 118.6 | ||||
| 309 | E | 26.6 | Very low | 32.3 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | cis | -174 | 171.1 | -24.9 | 178.5 | 164.5 | -151.2 | 0 | 0 | 109.1 | ||||
| 310 | S | 27.6 | Very low | 31.5 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | trans | 74.6 | 117.7 | 161.7 | 69.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 311 | E | 27.5 | Very low | 30.8 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | 59.4 | 113 | 126.7 | -78.7 | -156.2 | -165.3 | 0 | 0 | 125.8 | |||||
| 312 | N | 28.4 | Very low | 30.3 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 67% | 0.668 | 74% | 0.737 | S | S | * | * | 99.4 | 150 | 109.8 | -155.5 | -0.3 | 0 | 0 | 0 | 120.5 | |||||
| 313 | K | 30.7 | Very low | 29.8 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | trans | 75.1 | 101.6 | 168 | -57.9 | -168.6 | 179.5 | 176 | 0 | 121.4 | ||||
| 314 | D | 29.4 | Very low | 29.4 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | 57.5 | 157.6 | 111.5 | -70.7 | -45.8 | 0 | 0 | 0 | 123.4 | |||||
| 315 | I | 31 | Very low | 29 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | trans | 83.1 | 100.2 | 166.2 | -60.9 | 156.3 | 0 | 0 | 0 | 116.5 | ||||
| 316 | S | 34.1 | Very low | 29 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | -72.2 | 157.8 | 149.2 | -129.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 317 | P | 43.6 | Very low | 29 | Very low | 97 Ų | 97 | 129 Ų | 129 | 63% | 0.63 | 75% | 0.754 | S | S | * | * | -154.7 | -176.7 | 53.1 | 42.8 | -21.5 | 0 | 0 | 0 | 118.3 | |||||
| 318 | Q | 27.2 | Very low | 29.4 | Very low | 169 Ų | 169 | 133.6 Ų | 133.6 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | 63.8 | 125.9 | 144.5 | -87 | 179 | -33.9 | 0 | 0 | 122 | ||||
| 319 | S | 27.1 | Very low | 29.5 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | 74 | 154.3 | 143.8 | 85.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 320 | N | 27.1 | Very low | 29.6 | Very low | 137 Ų | 137 | 132.7 Ų | 132.7 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | cis | -148.3 | -178.7 | -1.1 | -131.4 | -12.7 | 0 | 0 | 0 | 110.7 | ||||
| 321 | Y | 26.9 | Very low | 30 | Very low | 203 Ų | 203 | 133 Ų | 133 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | trans | -27.7 | 148.1 | 166.3 | -70.4 | -102.9 | 0 | 0 | 0 | 116.8 | ||||
| 322 | T | 27.2 | Very low | 30.4 | Very low | 123 Ų | 123 | 131 Ų | 131 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | -176 | 118.6 | 106.4 | -74.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 323 | I | 29.3 | Very low | 31 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 82% | 0.821 | 75% | 0.745 | S | S | * | * | trans | 29 | 126.7 | 138.8 | -49.5 | 173.9 | 0 | 0 | 0 | 120.1 | ||||
| 324 | G | 27.4 | Very low | 31.6 | Very low | 77 Ų | 77 | 128.6 Ų | 128.6 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | 105.6 | 144.4 | 139.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 325 | G | 27.6 | Very low | 32.2 | Very low | 72 Ų | 72 | 128.8 Ų | 128.8 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | cis | 154.5 | 123.1 | -7.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 326 | A | 28.8 | Very low | 32.5 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 95% | 0.95 | 73% | 0.728 | S | S | * | * | trans | 61.1 | 147.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 327 | G | 28.7 | Very low | 32.4 | Very low | 64 Ų | 64 | 129.6 Ų | 129.6 | 66% | 0.66 | 73% | 0.728 | S | S | * | * | cis | 145.1 | 171.4 | -2.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 328 | K | 33.6 | Very low | 31.8 | Very low | 202 Ų | 202 | 135.8 Ų | 135.8 | 88% | 0.878 | 74% | 0.739 | S | S | * | * | trans | 72.7 | 148.4 | 178.6 | -56.2 | -169.8 | 176.3 | -174.3 | 0 | 115.2 | ||||
| 329 | T | 30.1 | Very low | 32.1 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 60% | 0.595 | 74% | 0.735 | S | S | * | * | cis | -161.1 | -177.2 | -11.3 | 17.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 330 | F | 28.7 | Very low | 32.5 | Very low | 174 Ų | 174 | 130.2 Ų | 130.2 | 76% | 0.763 | 73% | 0.728 | S | S | * | * | trans | 85.1 | 126.8 | 162.5 | -53.1 | -79.3 | 0 | 0 | 0 | 117.1 | ||||
| 331 | D | 34.9 | Very low | 32.9 | Very low | 115 Ų | 115 | 131 Ų | 131 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | cis | -163.6 | 154.5 | -20.1 | -114.5 | 12.4 | 0 | 0 | 0 | 109.7 | ||||
| 332 | D | 35.9 | Very low | 33.4 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | trans | 43.6 | 145.5 | 139.9 | -61.3 | -1.3 | 0 | 0 | 0 | 122.6 | ||||
| 333 | D | 41.1 | Very low | 33.8 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 58% | 0.583 | 72% | 0.719 | S | S | * | * | cis | -158.6 | 162.1 | 3 | -137.6 | -17.2 | 0 | 0 | 0 | 115.6 | ||||
| 334 | Q | 44.5 | Very low | 34.1 | Very low | 135 Ų | 135 | 130 Ų | 130 | 63% | 0.631 | 71% | 0.713 | S | S | * | * | trans | 33.6 | 149.9 | 147.2 | -76.4 | 159.1 | 56 | 0 | 0 | 122.9 | ||||
| 335 | H | 42.3 | Very low | 34.6 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 68% | 0.681 | 71% | 0.712 | S | S | * | * | cis | -150.1 | 172.3 | 11 | -98.4 | -37.2 | 0 | 0 | 0 | 108.1 | ||||
| 336 | S | 35.8 | Very low | 34.9 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | cis | -160.2 | 143.1 | 12.6 | 23 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 337 | Y | 31.7 | Very low | 35.1 | Very low | 193 Ų | 193 | 138 Ų | 138 | 76% | 0.757 | 71% | 0.712 | S | S | * | * | trans | 38.2 | 120.9 | 159 | -62.7 | -91.3 | 0 | 0 | 0 | 121.2 | ||||
| 338 | R | 32 | Very low | 35.2 | Very low | 226 Ų | 226 | 138.6 Ų | 138.6 | 85% | 0.853 | 72% | 0.718 | S | S | * | * | 65.2 | 148.5 | 64.1 | -82.7 | -163.1 | 171.7 | -176 | -1.4 | 114.6 | |||||
| 339 | S | 33.3 | Very low | 35.3 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | cis | -177.7 | 167.4 | -14.8 | 49 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 340 | G | 35.1 | Very low | 35.6 | Very low | 58 Ų | 58 | 137.5 Ų | 137.5 | 60% | 0.598 | 73% | 0.727 | S | S | * | * | cis | -158.2 | 171.8 | 8.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 341 | L | 36.7 | Very low | 35.8 | Very low | 154 Ų | 154 | 137 Ų | 137 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | 68.2 | 143.2 | 55.1 | -78.5 | 73.2 | 0 | 0 | 0 | 113.1 | |||||
| 342 | E | 37.8 | Very low | 35.7 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 60% | 0.598 | 74% | 0.738 | S | S | * | * | cis | -171.6 | 176.5 | -12.7 | -112.7 | -177.1 | 139.9 | 0 | 0 | 107.3 | ||||
| 343 | R | 34.3 | Very low | 35.6 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 69% | 0.694 | 73% | 0.734 | S | S | * | * | cis | -150.7 | 170 | 5.1 | -121.5 | -176.6 | -156.1 | 149.4 | 25.5 | 109.2 | ||||
| 344 | H | 35.9 | Very low | 35.2 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | 42.6 | 153.5 | 85.5 | -71.1 | -106.1 | 0 | 0 | 0 | 117.6 | |||||
| 345 | D | 37.2 | Very low | 34.5 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | cis | -143.6 | 162 | 2.6 | -104.4 | -43.9 | 0 | 0 | 0 | 108.2 | ||||
| 346 | G | 34 | Very low | 34 | Very low | 72 Ų | 72 | 146 Ų | 146 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | 99 | 158.4 | 61.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 347 | K | 33.7 | Very low | 33.9 | Very low | 217 Ų | 217 | 150.5 Ų | 150.5 | 94% | 0.943 | 77% | 0.77 | S | S | * | * | cis | -172.8 | 139.9 | -20.4 | -175 | 177.7 | -178.2 | 179.6 | 0 | 110.6 | ||||
| 348 | G | 30.9 | Very low | 33.7 | Very low | 77 Ų | 77 | 144.9 Ų | 144.9 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | 98.6 | 160.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 349 | S | 35.6 | Very low | 33.7 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | cis | -156.9 | 177.4 | -2.7 | 57.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 350 | D | 37.1 | Very low | 33.5 | Very low | 155 Ų | 155 | 148.8 Ų | 148.8 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | -89 | -178.9 | -162.2 | -49.6 | -92.5 | 0 | 0 | 0 | 118.8 | ||||
| 351 | I | 32.9 | Very low | 33.5 | Very low | 163 Ų | 163 | 154 Ų | 154 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | 112 | 88.6 | 157.8 | -54.5 | 177.6 | 0 | 0 | 0 | 118.8 | ||||
| 352 | D | 31.9 | Very low | 33.2 | Very low | 144 Ų | 144 | 154 Ų | 154 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | 64.3 | 130.5 | 120.5 | -151.3 | 19.7 | 0 | 0 | 0 | 126.3 | |||||
| 353 | S | 34.8 | Very low | 32.9 | Very low | 86 Ų | 86 | 156.6 Ų | 156.6 | 60% | 0.601 | 80% | 0.796 | S | S | * | * | trans | 91.8 | 141.7 | 143.7 | 82.9 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 354 | Q | 31.3 | Very low | 32.8 | Very low | 178 Ų | 178 | 159.4 Ų | 159.4 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | 84.7 | 87 | 155.8 | -49.9 | -153.4 | 36.7 | 0 | 0 | 123.7 | ||||
| 355 | R | 31.4 | Very low | 32.6 | Very low | 217 Ų | 217 | 163.8 Ų | 163.8 | 82% | 0.819 | 82% | 0.818 | S | S | * | * | 55.1 | 116.3 | 105.8 | -176.7 | 175.7 | -90.4 | -166.8 | -2.8 | 122.4 | |||||
| 356 | Y | 31.8 | Very low | 32.3 | Very low | 200 Ų | 200 | 160 Ų | 160 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | 75.8 | 135 | 147.1 | -86.7 | -50.5 | 0 | 0 | 0 | 124.5 | ||||
| 357 | Q | 32.1 | Very low | 32.2 | Very low | 190 Ų | 190 | 161.9 Ų | 161.9 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | 68.6 | 137.8 | 150.7 | -74.3 | -176.9 | -51.2 | 0 | 0 | 120.9 | ||||
| 358 | G | 28.1 | Very low | 32.1 | Very low | 76 Ų | 76 | 161.9 Ų | 161.9 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | 153.4 | 103.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 359 | D | 32.8 | Very low | 32.4 | Very low | 167 Ų | 167 | 165 Ų | 165 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | -64.9 | 153.5 | 167.2 | -60.6 | -92.5 | 0 | 0 | 0 | 111.8 | ||||
| 360 | R | 28.7 | Very low | 32.3 | Very low | 243 Ų | 243 | 167.7 Ų | 167.7 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | 176.8 | 154.7 | 102.5 | -164.7 | 158.8 | -179.5 | 147.8 | -4.8 | 112.6 | |||||
| 361 | K | 34.3 | Very low | 32.2 | Very low | 168 Ų | 168 | 167.3 Ų | 167.3 | 73% | 0.73 | 80% | 0.804 | S | S | * | * | trans | -57 | 155.8 | 171 | -51.5 | 169.9 | -179.2 | 178.9 | 0 | 112 | ||||
| 362 | D | 31.2 | Very low | 32.4 | Very low | 155 Ų | 155 | 166.6 Ų | 166.6 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | trans | -148.8 | 168.2 | 131.1 | -122.4 | -35.9 | 0 | 0 | 0 | 114.2 | ||||
| 363 | Y | 31 | Very low | 32.5 | Very low | 182 Ų | 182 | 167.3 Ų | 167.3 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | trans | -96.7 | 155.2 | -168.9 | -61.1 | -103.5 | 0 | 0 | 0 | 113.6 | ||||
| 364 | Y | 32.7 | Very low | 32.3 | Very low | 243 Ų | 243 | 171.8 Ų | 171.8 | 95% | 0.953 | 82% | 0.817 | S | S | * | * | trans | -130.4 | 143.4 | 143.8 | -94.8 | -81.3 | 0 | 0 | 0 | 111.3 | ||||
| 365 | R | 30.8 | Very low | 32.4 | Very low | 243 Ų | 243 | 174 Ų | 174 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -146.7 | 131.2 | -171.7 | -178.8 | -174.5 | -173.9 | -177.6 | 4 | 110.6 | ||||
| 366 | G | 30.5 | Very low | 32.5 | Very low | 65 Ų | 65 | 170.4 Ų | 170.4 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | trans | 100.6 | 151.7 | 171 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 367 | S | 32.3 | Very low | 32.5 | Very low | 111 Ų | 111 | 168.7 Ų | 168.7 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | cis | -165.1 | 155.9 | -0.8 | -109.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 368 | R | 32.3 | Very low | 32.5 | Very low | 217 Ų | 217 | 170.2 Ų | 170.2 | 82% | 0.819 | 81% | 0.813 | S | S | * | * | trans | 72.3 | 152.6 | 156.4 | -75.5 | -176.7 | 179 | 149 | 0.4 | 117.9 | ||||
| 369 | D | 37.4 | Very low | 32.5 | Very low | 143 Ų | 143 | 169.6 Ų | 169.6 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | cis | -130.5 | 178.8 | 2.2 | -109.5 | -39.9 | 0 | 0 | 0 | 113.6 | ||||
| 370 | H | 33.6 | Very low | 32.5 | Very low | 175 Ų | 175 | 167.4 Ų | 167.4 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -109.9 | -162.7 | -170.5 | -141.8 | -154.6 | 0 | 0 | 0 | 111.7 | ||||
| 371 | L | 34.3 | Very low | 32.6 | Very low | 148 Ų | 148 | 167.7 Ų | 167.7 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | 81.5 | 134.7 | 179.3 | -45.8 | 168.8 | 0 | 0 | 0 | 114.8 | ||||
| 372 | D | 36.5 | Very low | 32.4 | Very low | 148 Ų | 148 | 168.6 Ų | 168.6 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | cis | -153.7 | 163.9 | -16.8 | -122.8 | -16.6 | 0 | 0 | 0 | 112.5 | ||||
| 373 | N | 33.6 | Very low | 32.3 | Very low | 158 Ų | 158 | 171.8 Ų | 171.8 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -109.6 | 116 | -179.7 | -131.8 | -19.9 | 0 | 0 | 0 | 109.4 | ||||
| 374 | Q | 31.6 | Very low | 32.3 | Very low | 181 Ų | 181 | 169.4 Ų | 169.4 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -140.4 | 127.5 | 162.1 | -161.3 | 125.9 | 9.2 | 0 | 0 | 112.7 | ||||
| 375 | R | 32.9 | Very low | 32.1 | Very low | 224 Ų | 224 | 164.8 Ų | 164.8 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -93.3 | 136.5 | 173.4 | 165.6 | -158 | -76.3 | 179.4 | -7.7 | 107.9 | ||||
| 376 | D | 33.4 | Very low | 32.1 | Very low | 142 Ų | 142 | 159.5 Ų | 159.5 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | -137.7 | 155.1 | 158.4 | -110.9 | -47.9 | 0 | 0 | 0 | 112.2 | ||||
| 377 | H | 33 | Very low | 32.1 | Very low | 163 Ų | 163 | 166.1 Ų | 166.1 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -148.8 | 112.6 | -161.2 | -179.2 | 82 | 0 | 0 | 0 | 111.6 | ||||
| 378 | Y | 31.3 | Very low | 32 | Very low | 223 Ų | 223 | 167.7 Ų | 167.7 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | trans | -136.4 | 145.8 | 169.3 | -84 | -84.3 | 0 | 0 | 0 | 110.4 | ||||
| 379 | G | 29 | Very low | 32.2 | Very low | 62 Ų | 62 | 168.5 Ų | 168.5 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | trans | -144.1 | -163.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 380 | S | 32.1 | Very low | 31.8 | Very low | 122 Ų | 122 | 172.4 Ų | 172.4 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | 80.7 | 104.1 | -177 | -40.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 381 | R | 29.7 | Very low | 31.7 | Very low | 249 Ų | 249 | 167.5 Ų | 167.5 | 94% | 0.94 | 80% | 0.799 | S | S | * | * | -165.4 | 127.6 | 100.3 | -103.6 | 170 | -179.4 | 150.5 | 2.2 | 111.9 | |||||
| 382 | E | 31.9 | Very low | 31.6 | Very low | 186 Ų | 186 | 166.4 Ų | 166.4 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | -89.7 | 152.2 | 162.2 | -60.1 | 172.6 | 131.4 | 0 | 0 | 109.5 | ||||
| 383 | R | 28.7 | Very low | 31.4 | Very low | 223 Ų | 223 | 170.2 Ų | 170.2 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | trans | -173.6 | 135.8 | 134.9 | -101.3 | -173.1 | -170 | -163.6 | -1.1 | 110.8 | ||||
| 384 | D | 30.1 | Very low | 31.3 | Very low | 131 Ų | 131 | 169.4 Ų | 169.4 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | 27.8 | 143.4 | 127.5 | -38 | -29.9 | 0 | 0 | 0 | 118.9 | |||||
| 385 | D | 29.6 | Very low | 31.3 | Very low | 147 Ų | 147 | 171 Ų | 171 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | cis | -154 | -177.5 | 24.9 | -149 | -23.4 | 0 | 0 | 0 | 113.4 | ||||
| 386 | Q | 31.1 | Very low | 31.3 | Very low | 131 Ų | 131 | 167.8 Ų | 167.8 | 61% | 0.612 | 80% | 0.8 | S | S | * | * | trans | -82 | 171.6 | -171.8 | -47.2 | 173.5 | 0.7 | 0 | 0 | 115.1 | ||||
| 387 | R | 28.6 | Very low | 31.4 | Very low | 205 Ų | 205 | 168 Ų | 168 | 77% | 0.774 | 80% | 0.801 | S | S | * | * | trans | 72.5 | 143.2 | 155.3 | -62.8 | 167.7 | -162.1 | -140.5 | 3.6 | 115.4 | ||||
| 388 | N | 30.2 | Very low | 31.2 | Very low | 143 Ų | 143 | 168.1 Ų | 168.1 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | cis | -145.6 | 167.1 | 37.9 | -104.4 | -55.4 | 0 | 0 | 0 | 114.8 | ||||
| 389 | R | 37 | Very low | 31.4 | Very low | 234 Ų | 234 | 164.9 Ų | 164.9 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -118.9 | 109.5 | 176.9 | 176.4 | -167 | -169.4 | 175.1 | 5.9 | 109.6 | ||||
| 390 | Y | 30 | Very low | 31.5 | Very low | 226 Ų | 226 | 172 Ų | 172 | 89% | 0.886 | 81% | 0.808 | S | S | * | * | trans | -138.4 | 148.5 | 160.4 | -83.2 | -77.2 | 0 | 0 | 0 | 109.1 | ||||
| 391 | G | 30.3 | Very low | 31.4 | Very low | 72 Ų | 72 | 172.6 Ų | 172.6 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | -146.2 | 162.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 392 | S | 31.9 | Very low | 31.3 | Very low | 125 Ų | 125 | 171 Ų | 171 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -130.6 | 151.7 | 170.1 | -74.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 393 | R | 33 | Very low | 31.3 | Very low | 227 Ų | 227 | 172 Ų | 172 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -80.7 | 144.1 | 164.5 | -64.9 | 169.7 | 170.7 | 152 | -5.9 | 108.3 | ||||
| 394 | D | 31.3 | Very low | 31.2 | Very low | 142 Ų | 142 | 165 Ų | 165 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | 174.7 | 164.6 | 108.7 | -85.3 | -27.3 | 0 | 0 | 0 | 107.8 | |||||
| 395 | R | 31.9 | Very low | 31.4 | Very low | 213 Ų | 213 | 165.1 Ų | 165.1 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | cis | 158.8 | 144.6 | -23 | -167.5 | 178.7 | -168.9 | 173.4 | 1.8 | 103.7 | ||||
| 396 | L | 32.2 | Very low | 31.5 | Very low | 157 Ų | 157 | 167.8 Ų | 167.8 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | 80.9 | 153.6 | 179 | -54.6 | 173.4 | 0 | 0 | 0 | 116.7 | ||||
| 397 | D | 35.8 | Very low | 31.6 | Very low | 146 Ų | 146 | 169 Ų | 169 | 78% | 0.781 | 82% | 0.818 | S | S | * | * | trans | -92.9 | 160.6 | -167.5 | -42.1 | -103.4 | 0 | 0 | 0 | 111.8 | ||||
| 398 | D | 30.2 | Very low | 31.8 | Very low | 166 Ų | 166 | 168.4 Ų | 168.4 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | -164.5 | 170.5 | 120 | -126.1 | -36.3 | 0 | 0 | 0 | 113.1 | |||||
| 399 | Q | 34.9 | Very low | 32.1 | Very low | 155 Ų | 155 | 167.8 Ų | 167.8 | 72% | 0.724 | 81% | 0.811 | S | S | * | * | trans | -105.5 | 150 | 177.7 | -61 | -174.2 | -0.2 | 0 | 0 | 113.5 | ||||
| 400 | R | 30 | Very low | 32.1 | Very low | 212 Ų | 212 | 163 Ų | 163 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | trans | 74.4 | 159.6 | 171.4 | -47.8 | 177.8 | -174.3 | -155.3 | -2.1 | 112.8 | ||||
| 401 | D | 30 | Very low | 32.3 | Very low | 135 Ų | 135 | 158.5 Ų | 158.5 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | cis | -110.4 | 157.5 | 7.4 | -84.5 | -56.6 | 0 | 0 | 0 | 112.2 | ||||
| 402 | R | 28.5 | Very low | 32.6 | Very low | 216 Ų | 216 | 163.3 Ų | 163.3 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | cis | 74.5 | 84.7 | 45.4 | -148.2 | -172.5 | -158.9 | -168.8 | 6.6 | 113.8 | ||||
| 403 | H | 31.1 | Very low | 32.5 | Very low | 206 Ų | 206 | 167.2 Ų | 167.2 | 95% | 0.954 | 79% | 0.793 | S | S | * | * | trans | -127.8 | 148.1 | 151 | -108 | 51.9 | 0 | 0 | 0 | 109 | ||||
| 404 | G | 28.4 | Very low | 32.4 | Very low | 75 Ų | 75 | 161.4 Ų | 161.4 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -162 | 129.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 405 | S | 33.7 | Very low | 32.6 | Very low | 134 Ų | 134 | 166 Ų | 166 | 94% | 0.937 | 79% | 0.786 | S | S | * | * | trans | -89.1 | 140.1 | 167.5 | -61.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 406 | R | 31.4 | Very low | 32.5 | Very low | 203 Ų | 203 | 166.2 Ų | 166.2 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -104.8 | 140.4 | 178.3 | -77.1 | 170 | 156.5 | 156.1 | -10.1 | 110.3 | ||||
| 407 | D | 32.8 | Very low | 32.4 | Very low | 158 Ų | 158 | 162 Ų | 162 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | -128.7 | 133.8 | 126.3 | -72.5 | -56.8 | 0 | 0 | 0 | 106 | |||||
| 408 | R | 33.4 | Very low | 32.2 | Very low | 191 Ų | 191 | 160.5 Ų | 160.5 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | cis | 68.2 | 134.3 | 34.8 | -70 | -169.2 | 150.8 | 168.5 | -6.1 | 112.7 | ||||
| 409 | L | 36.3 | Very low | 32.2 | Very low | 131 Ų | 131 | 163.1 Ų | 163.1 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | cis | -138.9 | 173.7 | -6.2 | -66.4 | -174.7 | 0 | 0 | 0 | 106.8 | ||||
| 410 | D | 36.3 | Very low | 32.1 | Very low | 134 Ų | 134 | 160.6 Ų | 160.6 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | cis | -176.3 | 154.3 | -22.5 | -91.9 | 4.4 | 0 | 0 | 0 | 104.3 | ||||
| 411 | D | 33.8 | Very low | 32.1 | Very low | 131 Ų | 131 | 158.9 Ų | 158.9 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | cis | -161.9 | -177.1 | -7.2 | -167 | 7.1 | 0 | 0 | 0 | 108.7 | ||||
| 412 | Q | 36.9 | Very low | 32.1 | Very low | 172 Ų | 172 | 158.4 Ų | 158.4 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -72 | 176.4 | 164.1 | -60.9 | 179.5 | -13.9 | 0 | 0 | 112.3 | ||||
| 413 | R | 31.3 | Very low | 32.4 | Very low | 207 Ų | 207 | 155.7 Ų | 155.7 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | trans | 139 | 156.7 | 152.6 | -79.9 | 177.3 | -174.1 | -89.8 | 3.1 | 113.2 | ||||
| 414 | D | 31.1 | Very low | 32.4 | Very low | 106 Ų | 106 | 152.6 Ų | 152.6 | 57% | 0.567 | 76% | 0.755 | S | S | * | * | cis | -149.5 | 169.4 | -13.4 | -127.9 | -34.6 | 0 | 0 | 0 | 112.2 | Y416 | D414-Y416 HydrophobicContact CB-CD2 4.41Š| ||
| 415 | R | 35.2 | Very low | 32.5 | Very low | 238 Ų | 238 | 158.4 Ų | 158.4 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | trans | -95.3 | 112.5 | 170.7 | -174.5 | -170.1 | -163.5 | -178.5 | 7.5 | 110.8 | ||||
| 416 | Y | 29.8 | Very low | 32.3 | Very low | 217 Ų | 217 | 161.7 Ų | 161.7 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | trans | -118.6 | 155.5 | 168.1 | -93.9 | -85.9 | 0 | 0 | 0 | 112.1 | D414 | D414-Y416 HydrophobicContact CB-CD2 4.41Š| ||
| 417 | G | 29.3 | Very low | 32.2 | Very low | 70 Ų | 70 | 159.7 Ų | 159.7 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | -161.7 | 136.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 418 | S | 31.8 | Very low | 32 | Very low | 113 Ų | 113 | 161.6 Ų | 161.6 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -153.5 | 135.3 | 165 | -76 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 419 | R | 30.8 | Very low | 31.9 | Very low | 222 Ų | 222 | 163.7 Ų | 163.7 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | 53.7 | 135.5 | 69.3 | -69.9 | -152.8 | 171.6 | 166.4 | -2.7 | 112.6 | |||||
| 420 | D | 32.3 | Very low | 31.5 | Very low | 101 Ų | 101 | 160.7 Ų | 160.7 | 54% | 0.54 | 76% | 0.764 | S | S | . | * | cis | -162.5 | 164.7 | 3.4 | -112.7 | 15.8 | 0 | 0 | 0 | 106.8 | ||||
| 421 | R | 30 | Very low | 31.3 | Very low | 177 Ų | 177 | 159.8 Ų | 159.8 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | cis | 175.4 | 165.9 | -13.6 | -177.1 | -176.3 | 81.9 | -110.7 | -3.3 | 106.6 | ||||
| 422 | L | 30.8 | Very low | 31.1 | Very low | 124 Ų | 124 | 164 Ų | 164 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | trans | 75.9 | 155.8 | -176.1 | -49.1 | 170.9 | 0 | 0 | 0 | 111.1 | ||||
| 423 | D | 33.8 | Very low | 30.8 | Very low | 159 Ų | 159 | 162.2 Ų | 162.2 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | cis | -112.4 | 162 | 19.6 | -72 | -51.3 | 0 | 0 | 0 | 117 | ||||
| 424 | D | 31.7 | Very low | 30.8 | Very low | 142 Ų | 142 | 162.9 Ų | 162.9 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -76.1 | 140.7 | 164.2 | -81.2 | -71.4 | 0 | 0 | 0 | 111.4 | ||||
| 425 | Q | 29.3 | Very low | 30.9 | Very low | 196 Ų | 196 | 165 Ų | 165 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | -154.3 | 133.3 | 128.2 | -117 | 164.7 | 34.8 | 0 | 0 | 112.9 | |||||
| 426 | R | 29.1 | Very low | 30.9 | Very low | 204 Ų | 204 | 160.3 Ų | 160.3 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -84 | 157 | 161.8 | -65.2 | 175 | 172.1 | 179.7 | -2.4 | 108.4 | ||||
| 427 | D | 30.8 | Very low | 31.1 | Very low | 160 Ų | 160 | 156.2 Ų | 156.2 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -136.7 | 155.9 | 133.7 | -132.8 | -36.1 | 0 | 0 | 0 | 111.9 | ||||
| 428 | R | 28.8 | Very low | 31.2 | Very low | 198 Ų | 198 | 160 Ų | 160 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | trans | -156.3 | 98.6 | -155.4 | -172.7 | -156.5 | -167.7 | -159.6 | 5.9 | 115.5 | ||||
| 429 | Y | 30 | Very low | 31.2 | Very low | 235 Ų | 235 | 164 Ų | 164 | 92% | 0.922 | 77% | 0.766 | S | S | * | * | trans | -143.4 | 141.4 | 159.3 | -74.1 | -86.9 | 0 | 0 | 0 | 111.2 | ||||
| 430 | G | 28.3 | Very low | 31.2 | Very low | 68 Ų | 68 | 158.6 Ų | 158.6 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | cis | 149.3 | 76 | -15.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 431 | S | 31.8 | Very low | 31.2 | Very low | 115 Ų | 115 | 162.9 Ų | 162.9 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -166.2 | 132.2 | 154.7 | -76.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 432 | R | 30.2 | Very low | 31.2 | Very low | 219 Ų | 219 | 165.6 Ų | 165.6 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | 66.2 | 130.1 | 61.3 | -75.4 | -169.4 | -179.6 | 170.9 | 0.5 | 112.3 | |||||
| 433 | D | 31.5 | Very low | 31 | Very low | 135 Ų | 135 | 163.4 Ų | 163.4 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | -117.6 | 165.5 | 8.9 | -70.3 | -62.2 | 0 | 0 | 0 | 111.9 | ||||
| 434 | R | 31.2 | Very low | 31.3 | Very low | 221 Ų | 221 | 161.6 Ų | 161.6 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | cis | 89.5 | 151 | 31.9 | -137.6 | -177.6 | -166.7 | -175.3 | 2.5 | 114.1 | ||||
| 435 | L | 33.2 | Very low | 31.2 | Very low | 150 Ų | 150 | 166.4 Ų | 166.4 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | 78.4 | 128.7 | -160.8 | -47.3 | 169 | 0 | 0 | 0 | 113.2 | ||||
| 436 | D | 34.7 | Very low | 31.5 | Very low | 141 Ų | 141 | 164.1 Ų | 164.1 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | cis | -152.9 | 169.8 | -15 | -105.5 | -21.6 | 0 | 0 | 0 | 112.4 | ||||
| 437 | D | 34.3 | Very low | 31.5 | Very low | 130 Ų | 130 | 166.4 Ų | 166.4 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -40.2 | 160.2 | 169.6 | -83.2 | -0.8 | 0 | 0 | 0 | 117 | ||||
| 438 | Q | 31.2 | Very low | 31.7 | Very low | 149 Ų | 149 | 165.8 Ų | 165.8 | 70% | 0.696 | 79% | 0.788 | S | S | * | * | cis | -156.6 | 153.7 | 9.3 | -114.9 | 161.7 | 53.1 | 0 | 0 | 109 | ||||
| 439 | R | 31.7 | Very low | 31.8 | Very low | 198 Ų | 198 | 162.9 Ų | 162.9 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | 41.8 | 149.7 | 97.5 | -67.7 | -174.8 | 173.9 | -93.2 | 4.6 | 116.3 | |||||
| 440 | D | 31.7 | Very low | 31.8 | Very low | 109 Ų | 109 | 159.5 Ų | 159.5 | 58% | 0.583 | 79% | 0.785 | S | S | * | * | cis | -170.9 | 167.6 | -2.8 | -103.8 | -16.1 | 0 | 0 | 0 | 107.2 | ||||
| 441 | R | 32.3 | Very low | 32 | Very low | 191 Ų | 191 | 164.4 Ų | 164.4 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | cis | 177.8 | 120 | -17.1 | 173 | 176.8 | 178 | -110.7 | 2.6 | 111.6 | ||||
| 442 | Y | 28.9 | Very low | 31.9 | Very low | 233 Ų | 233 | 168.6 Ų | 168.6 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | trans | 66.8 | 156.3 | 166.8 | -78.7 | -127.6 | 0 | 0 | 0 | 118.9 | ||||
| 443 | G | 27.5 | Very low | 31.9 | Very low | 79 Ų | 79 | 163.4 Ų | 163.4 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | 149.4 | 81.5 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 444 | S | 38.8 | Very low | 31.8 | Very low | 121 Ų | 121 | 167.3 Ų | 167.3 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -71.7 | 152.2 | 173.4 | -45 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 445 | R | 30.1 | Very low | 31.7 | Very low | 243 Ų | 243 | 166.9 Ų | 166.9 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | trans | -159.4 | 138.4 | 150.5 | -120.3 | 171.4 | -171.8 | 168.1 | 3.6 | 113.2 | ||||
| 446 | D | 34.8 | Very low | 31.5 | Very low | 147 Ų | 147 | 163.6 Ų | 163.6 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | -83 | 157.3 | -177.7 | -35.2 | -96.8 | 0 | 0 | 0 | 112.2 | ||||
| 447 | R | 30.5 | Very low | 31.5 | Very low | 252 Ų | 252 | 162.1 Ų | 162.1 | 95% | 0.951 | 78% | 0.784 | S | S | * | * | trans | -157.5 | 158.7 | 136.3 | -114.3 | 165 | -166.7 | 174.2 | 3.1 | 113 | ||||
| 448 | L | 33.5 | Very low | 31.3 | Very low | 148 Ų | 148 | 166.9 Ų | 166.9 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -95.2 | 164.9 | -169.6 | -74.6 | 156.2 | 0 | 0 | 0 | 112.1 | ||||
| 449 | D | 31.2 | Very low | 31.4 | Very low | 137 Ų | 137 | 164.9 Ų | 164.9 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | 53 | 126.1 | 152.6 | -49.9 | -27.7 | 0 | 0 | 0 | 117.8 | ||||
| 450 | D | 30.7 | Very low | 31.3 | Very low | 163 Ų | 163 | 165.1 Ų | 165.1 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | -152.3 | 152 | 76.9 | -112.6 | -32.7 | 0 | 0 | 0 | 114.4 | |||||
| 451 | Q | 32.1 | Very low | 31.4 | Very low | 172 Ų | 172 | 166.7 Ų | 166.7 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -114.2 | 133.4 | 164.4 | -70.4 | -176.4 | -15.1 | 0 | 0 | 109.8 | ||||
| 452 | R | 29.4 | Very low | 31.4 | Very low | 202 Ų | 202 | 164.8 Ų | 164.8 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | 166.3 | 151.1 | 125.2 | -93.3 | 171.9 | 178.9 | -79.2 | -1.7 | 115.4 | |||||
| 453 | D | 29.9 | Very low | 31.6 | Very low | 111 Ų | 111 | 159.8 Ų | 159.8 | 59% | 0.594 | 79% | 0.787 | S | S | * | * | trans | 33.7 | 134 | 136.3 | -40 | -28.6 | 0 | 0 | 0 | 118.5 | ||||
| 454 | R | 30.5 | Very low | 31.7 | Very low | 217 Ų | 217 | 162 Ų | 162 | 82% | 0.819 | 78% | 0.777 | S | S | * | * | cis | 174.6 | 132.4 | 48 | -146.8 | 164.2 | -164.5 | -142.2 | 1 | 112.6 | ||||
| 455 | Y | 29.6 | Very low | 31.2 | Very low | 212 Ų | 212 | 165.8 Ų | 165.8 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | trans | 48.4 | 137.9 | 146.5 | -79.8 | -108.8 | 0 | 0 | 0 | 123.9 | ||||
| 456 | G | 27.8 | Very low | 31.2 | Very low | 80 Ų | 80 | 159 Ų | 159 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | -175.1 | 100.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 457 | S | 34.9 | Very low | 30.8 | Very low | 110 Ų | 110 | 161.8 Ų | 161.8 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -118.1 | 154.4 | -176.5 | -46.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 458 | R | 30.4 | Very low | 30.7 | Very low | 231 Ų | 231 | 161 Ų | 161 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | trans | -163.9 | 143.8 | 157 | -110.3 | -174.1 | 178.9 | 140.3 | 3.8 | 112.9 | ||||
| 459 | D | 34 | Very low | 30.5 | Very low | 106 Ų | 106 | 157.7 Ų | 157.7 | 57% | 0.567 | 75% | 0.753 | S | S | * | * | trans | 54.4 | 138.9 | 159.3 | -64.1 | 51.1 | 0 | 0 | 0 | 118.2 | ||||
| 460 | R | 29.4 | Very low | 30.4 | Very low | 203 Ų | 203 | 157.5 Ų | 157.5 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | cis | -155.4 | 165.5 | -5.1 | -100.5 | 176.2 | -138.3 | 179.5 | 8.6 | 107.1 | ||||
| 461 | L | 33.2 | Very low | 30.4 | Very low | 143 Ų | 143 | 160.4 Ų | 160.4 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | 60 | 127.2 | 57.9 | -51.1 | -177.9 | 0 | 0 | 0 | 113.8 | |||||
| 462 | D | 32.3 | Very low | 30.4 | Very low | 151 Ų | 151 | 158 Ų | 158 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | cis | -135.4 | -159.9 | 10.1 | -92.7 | -47 | 0 | 0 | 0 | 113.1 | ||||
| 463 | D | 32.7 | Very low | 30.6 | Very low | 127 Ų | 127 | 159 Ų | 159 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | trans | -122.1 | 165.7 | -136.7 | -164.2 | 18.9 | 0 | 0 | 0 | 117 | ||||
| 464 | Q | 30.3 | Very low | 30.7 | Very low | 127 Ų | 127 | 162 Ų | 162 | 59% | 0.593 | 77% | 0.772 | S | S | * | * | trans | 68.1 | 121.1 | 154.6 | -83.7 | 174.3 | 84 | 0 | 0 | 124.5 | ||||
| 465 | R | 28.4 | Very low | 30.8 | Very low | 200 Ų | 200 | 158.7 Ų | 158.7 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | 88.4 | 138 | 123.3 | -80.2 | 179.5 | -161.4 | -92.4 | -1.3 | 124.9 | |||||
| 466 | D | 29.6 | Very low | 31 | Very low | 101 Ų | 101 | 156.7 Ų | 156.7 | 54% | 0.54 | 77% | 0.774 | S | S | . | * | trans | 80.7 | 120.1 | 136.6 | -86.9 | -69.7 | 0 | 0 | 0 | 122.5 | ||||
| 467 | R | 27.4 | Very low | 31.3 | Very low | 205 Ų | 205 | 161.1 Ų | 161.1 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | trans | 81.7 | 120.9 | 135.9 | -69.2 | 162.7 | -165.3 | -154.9 | -1.2 | 122.2 | ||||
| 468 | R | 28.6 | Very low | 32 | Very low | 236 Ų | 236 | 160.5 Ų | 160.5 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | trans | 57.5 | 103.3 | 131.5 | -63.4 | -174.4 | -179.9 | -157.5 | -0.1 | 118.4 | ||||
| 469 | G | 27.4 | Very low | 32 | Very low | 78 Ų | 78 | 155.2 Ų | 155.2 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | 87.9 | 127.6 | 115.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 470 | S | 30.4 | Very low | 31.9 | Very low | 132 Ų | 132 | 161 Ų | 161 | 92% | 0.923 | 77% | 0.774 | S | S | * | * | trans | -133.7 | 120.8 | 167.4 | -53.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 471 | R | 30.4 | Very low | 31.9 | Very low | 224 Ų | 224 | 157 Ų | 157 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | -130 | 160.5 | 166.7 | -155 | -176.4 | -160.7 | 171.1 | 5.5 | 105.9 | ||||
| 472 | D | 32.4 | Very low | 31.7 | Very low | 123 Ų | 123 | 153.1 Ų | 153.1 | 66% | 0.658 | 77% | 0.772 | S | S | * | * | trans | 71.7 | 108.5 | 176.6 | -50.7 | -41.4 | 0 | 0 | 0 | 112.2 | ||||
| 473 | R | 32.9 | Very low | 31.7 | Very low | 221 Ų | 221 | 151.8 Ų | 151.8 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | 77.9 | 121.4 | 81.8 | -81 | 178.7 | 170.4 | 173.6 | -2.5 | 112.7 | |||||
| 474 | L | 33.1 | Very low | 31.6 | Very low | 176 Ų | 176 | 156 Ų | 156 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | -131.3 | 149 | 147.9 | -79.1 | 173.6 | 0 | 0 | 0 | 107.8 | ||||
| 475 | D | 32.5 | Very low | 31.7 | Very low | 147 Ų | 147 | 155.5 Ų | 155.5 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -90.3 | 164.7 | -171.6 | -55.2 | -86.3 | 0 | 0 | 0 | 112.7 | ||||
| 476 | D | 33.8 | Very low | 31.8 | Very low | 169 Ų | 169 | 156.7 Ų | 156.7 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | trans | -150.9 | 154.3 | 136.6 | -119.7 | -31.4 | 0 | 0 | 0 | 111.1 | ||||
| 477 | Q | 32.7 | Very low | 31.9 | Very low | 174 Ų | 174 | 158.4 Ų | 158.4 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -140 | -177.9 | -171.2 | -114.8 | -163.9 | 38.5 | 0 | 0 | 109.5 | ||||
| 478 | P | 49.5 | Very low | 32.1 | Very low | 97 Ų | 97 | 155.3 Ų | 155.3 | 63% | 0.63 | 79% | 0.794 | S | S | * | * | cis | -129.9 | -166 | -11.3 | 34.5 | -14.6 | 0 | 0 | 0 | 112.7 | ||||
| 479 | V | 31.8 | Very low | 32.7 | Very low | 120 Ų | 120 | 152.8 Ų | 152.8 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | 175.1 | 126.1 | 116.8 | 151.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 480 | R | 30.3 | Very low | 32.8 | Very low | 228 Ų | 228 | 160.2 Ų | 160.2 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | 62.2 | 114.4 | 155.1 | -77.5 | 174 | -177.3 | -180 | 0.2 | 123.1 | ||||
| 481 | S | 31.4 | Very low | 33.1 | Very low | 118 Ų | 118 | 162.9 Ų | 162.9 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | 43.2 | 133.8 | 129.9 | 62.3 | 0 | 0 | 0 | 0 | 122 | |||||
| 482 | G | 28.9 | Very low | 33.3 | Very low | 62 Ų | 62 | 160.1 Ų | 160.1 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | cis | 134 | 143.6 | -7.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 483 | S | 31.6 | Very low | 33.5 | Very low | 123 Ų | 123 | 160.5 Ų | 160.5 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | 66.6 | 153.2 | 178.4 | 7.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 484 | R | 31.4 | Very low | 33.7 | Very low | 215 Ų | 215 | 157 Ų | 157 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | cis | -163.2 | 155.8 | -16.5 | -129.6 | -174.9 | 156.7 | 134 | 0.6 | 110.2 | ||||
| 485 | D | 31.5 | Very low | 33.9 | Very low | 117 Ų | 117 | 155.2 Ų | 155.2 | 63% | 0.626 | 78% | 0.776 | S | S | * | * | trans | 37.8 | 121.5 | 146.4 | -54.2 | -23.5 | 0 | 0 | 0 | 122.5 | ||||
| 486 | R | 30.3 | Very low | 34 | Very low | 224 Ų | 224 | 158.3 Ų | 158.3 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | 82.2 | 127.7 | 128.9 | -82.3 | -175.3 | 161.6 | 169.9 | -4.2 | 123.8 | |||||
| 487 | L | 32.1 | Very low | 34 | Very low | 137 Ų | 137 | 162.5 Ų | 162.5 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | 94.1 | 155.3 | 125.7 | -78.7 | 175 | 0 | 0 | 0 | 122.4 | |||||
| 488 | D | 32 | Very low | 33.8 | Very low | 140 Ų | 140 | 157.3 Ų | 157.3 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | 73.3 | 101.9 | 160.1 | -55.5 | -20.6 | 0 | 0 | 0 | 121.1 | ||||
| 489 | E | 40.2 | Very low | 33 | Very low | 183 Ų | 183 | 159.1 Ų | 159.1 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -52.2 | 131.9 | 150.2 | 165.7 | -176.8 | -143.1 | 0 | 0 | 111.6 | ||||
| 490 | Y | 29.4 | Very low | 33.4 | Very low | 235 Ų | 235 | 164.1 Ų | 164.1 | 92% | 0.922 | 80% | 0.795 | S | S | * | * | trans | -148.8 | 152.5 | 145.7 | -121.9 | -83.8 | 0 | 0 | 0 | 111.4 | ||||
| 491 | R | 37.3 | Very low | 33.8 | Very low | 187 Ų | 187 | 159 Ų | 159 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -114.7 | 140.9 | -174.1 | 162.6 | -174.1 | 173.8 | -173.4 | -0.9 | 109.3 | ||||
| 492 | D | 33.9 | Very low | 34.1 | Very low | 166 Ų | 166 | 163.9 Ų | 163.9 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -142.6 | 154.9 | 157.6 | -117.9 | -30.3 | 0 | 0 | 0 | 112.2 | ||||
| 493 | Q | 37.8 | Very low | 34.5 | Very low | 132 Ų | 132 | 168.7 Ų | 168.7 | 62% | 0.617 | 80% | 0.795 | S | S | * | * | trans | -162.5 | 119.3 | -163.2 | 171.6 | -175.3 | 3.6 | 0 | 0 | 109.9 | ||||
| 494 | D | 37.2 | Very low | 35.1 | Very low | 147 Ų | 147 | 168 Ų | 168 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | -172.2 | 157.8 | 174.9 | -97.4 | -6.4 | 0 | 0 | 0 | 109.5 | ||||
| 495 | L | 37 | Very low | 35.4 | Very low | 139 Ų | 139 | 166 Ų | 166 | 73% | 0.728 | 78% | 0.775 | S | S | * | * | cis | -154.8 | 164.6 | -11.2 | -120.3 | 166.3 | 0 | 0 | 0 | 113 | ||||
| 496 | Y | 34.8 | Very low | 36 | Very low | 212 Ų | 212 | 169.4 Ų | 169.4 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | trans | -71.2 | 150.9 | -170.7 | -77.5 | -130.5 | 0 | 0 | 0 | 118 | ||||
| 497 | R | 32.8 | Very low | 36.9 | Very low | 256 Ų | 256 | 164.2 Ų | 164.2 | 97% | 0.966 | 77% | 0.768 | S | S | * | * | -178.5 | 142.4 | 118.5 | -107.6 | 175.9 | 170.9 | 166.7 | -2.1 | 111.2 | |||||
| 498 | G | 29.3 | Very low | 37.8 | Very low | 66 Ų | 66 | 170.6 Ų | 170.6 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | cis | 153.8 | 137.7 | -12.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 499 | S | 33.2 | Very low | 38.1 | Very low | 135 Ų | 135 | 172.1 Ų | 172.1 | 94% | 0.944 | 80% | 0.797 | S | S | * | * | trans | -176.2 | 155.5 | 154.2 | -100.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 500 | R | 39.9 | Very low | 38 | Very low | 224 Ų | 224 | 171.5 Ų | 171.5 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -132.6 | 165.8 | 176.9 | -124.8 | 178.8 | -171.7 | 158.3 | 0.9 | 105.6 | ||||
| 501 | D | 37.9 | Very low | 38.4 | Very low | 122 Ų | 122 | 168 Ų | 168 | 65% | 0.652 | 79% | 0.786 | S | S | * | * | cis | -161.2 | 147 | 36.7 | -102.5 | -49.3 | 0 | 0 | 0 | 107.3 | ||||
| 502 | R | 37 | Very low | 38.5 | Very low | 220 Ų | 220 | 166.9 Ų | 166.9 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | 72.5 | 117.7 | 79.7 | -165.7 | -169.1 | -172.2 | -174.7 | 3 | 116.1 | |||||
| 503 | I | 38.7 | Very low | 38.8 | Very low | 163 Ų | 163 | 166.9 Ų | 166.9 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | 169.2 | 143.4 | 155.4 | -97.3 | 154.7 | 0 | 0 | 0 | 107.7 | ||||
| 504 | D | 42.8 | Very low | 38.9 | Very low | 107 Ų | 107 | 169.3 Ų | 169.3 | 57% | 0.572 | 80% | 0.796 | S | S | * | * | cis | -167.5 | 167 | -25.3 | -153.8 | -10.2 | 0 | 0 | 0 | 109.7 | ||||
| 505 | Y | 39.4 | Very low | 39 | Very low | 174 Ų | 174 | 170.9 Ų | 170.9 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | trans | 63.4 | 151.1 | 161.6 | -72.8 | -56.4 | 0 | 0 | 0 | 119.9 | ||||
| 506 | R | 42.9 | Very low | 39.1 | Very low | 189 Ų | 189 | 173.3 Ų | 173.3 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | cis | -154 | 163.5 | -2.1 | -158 | 144.4 | -173.2 | 162.2 | 1.9 | 113.7 | ||||
| 507 | D | 50.5 | Low | 39.5 | Very low | 114 Ų | 114 | 170.1 Ų | 170.1 | 61% | 0.61 | 80% | 0.8 | S | S | * | * | trans | -19.8 | 153.2 | 148.6 | -21.8 | -38.9 | 0 | 0 | 0 | 115.9 | ||||
| 508 | E | 49.7 | Very low | 40.1 | Very low | 271 Ų | 271 | 162.3 Ų | 162.3 | 100% | 1.266 | 79% | 0.785 | S | S | * | * | cis | -128.8 | 0 | 19 | -61.8 | 179.6 | 121.4 | 0 | 0 | 114.1 |
Retrieved 508 of 508 residues in 557.6 ms
(Link to these results)