| 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 | I | 59.8 | Low | 53.4 | Low | 176 Ų | 176 | 126.1 Ų | 126.1 | 90% | 0.903 | 62% | 0.615 | S | S | * | * | 0 | -66.2 | 0 | -42.5 | -175.1 | 0 | 0 | 0 | 112.7 | Y5 | I1-Y5 WeakPolarHBondContact O-CB 3.14Å; I1-Y5 PolarHBondContact O-N 2.91Å; I1-Y5 VanDerWaalsContact O-N 3.16Å | |||
| 2 | I | 59 | Low | 53.4 | Low | 136 Ų | 136 | 125.2 Ų | 125.2 | 70% | 0.697 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.4 | -39.8 | -176.8 | -59.2 | 175.6 | 0 | 0 | 0 | 113.1 | Y5 I6 | I2-Y5 PolarHBondContact O-N 2.96Å; I2-I6 HydrophobicContact CG2-CD1 4.3Å; I2-I6 WeakPolarHBondContact O-CG1 3.37Å; I2-I6 PolarHBondContact O-N 3.42Å |
| 3 | M | 54.9 | Low | 53.1 | Low | 140 Ų | 140 | 124.1 Ų | 124.1 | 69% | 0.69 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.3 | -40.1 | 176.9 | -73.1 | -151.9 | 73.3 | 0 | 0 | 112.9 | Y5 I6 E7 | M3-Y5 VanDerWaalsContact C-N 3.29Å; M3-Y5 PolarHBondContact O-N 3.31Å; M3-I6 PolarHBondContact O-N 3.41Å; M3-I6 VanDerWaalsContact O-N 3.16Å; M3-E7 PolarHBondContact O-N 2.81Å |
| 4 | E | 52.8 | Low | 52.7 | Low | 128 Ų | 128 | 118.6 Ų | 118.6 | 60% | 0.598 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.4 | -37.7 | 173.2 | -74.3 | -176.7 | 142.8 | 0 | 0 | 112.2 | I6 E7 D8 | E4-I6 VanDerWaalsContact C-N 3.33Å; E4-I6 PolarHBondContact O-N 3.06Å; E4-E7 PolarHBondContact O-N 3.05Å; E4-D8 WeakPolarHBondContact O-CB 3.22Å; E4-D8 PolarHBondContact O-N 3.43Å |
| 5 | Y | 50.3 | Low | 52.3 | Low | 148 Ų | 148 | 119.6 Ų | 119.6 | 58% | 0.58 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.8 | -32.7 | 176.8 | -171.5 | -99.9 | 0 | 0 | 0 | 113.3 | I1 I2 M3 K9 | I1-Y5 WeakPolarHBondContact O-CB 3.14Å; I1-Y5 PolarHBondContact O-N 2.91Å; I1-Y5 VanDerWaalsContact O-N 3.16Å; I2-Y5 PolarHBondContact O-N 2.96Å; M3-Y5 VanDerWaalsContact C-N 3.29Å; M3-Y5 PolarHBondContact O-N 3.31Å; Y5-K9 HydrophobicContact CD1-CG 4.47Å; Y5-K9 HydrophobicContact CE1-CD 4.28Å; Y5-K9 HydrophobicContact CE1-CG 4.12Å; Y5-K9 WeakPolarHBondContact O-CB 3.08Å; Y5-K9 WeakPolarHBondContact O-CG 3.32Å; Y5-K9 PolarHBondContact O-N 3.35Å; Y5-K9 VanDerWaalsContact O-N 3.07Å; Y5-K9 VanDerWaalsContact OH-CE 3.22Å; Y5-K9 WeakPolarHBondContact OH-CE 3.39Å |
| 6 | I | 54.5 | Low | 52.4 | Low | 102 Ų | 102 | 115.8 Ų | 115.8 | 52% | 0.523 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -74.9 | -41.2 | 177.3 | -65.9 | 170.4 | 0 | 0 | 0 | 110.2 | I2 M3 E4 K9 F10 | I2-I6 HydrophobicContact CG2-CD1 4.3Å; I2-I6 WeakPolarHBondContact O-CG1 3.37Å; I2-I6 PolarHBondContact O-N 3.42Å; M3-I6 PolarHBondContact O-N 3.41Å; M3-I6 VanDerWaalsContact O-N 3.16Å; E4-I6 VanDerWaalsContact C-N 3.33Å; E4-I6 PolarHBondContact O-N 3.06Å; I6-K9 PolarHBondContact O-N 3.45Å; I6-F10 WeakPolarHBondContact O-CB 3.39Å; I6-F10 PolarHBondContact O-N 3.42Å |
| 7 | E | 54.8 | Low | 52.6 | Low | 120 Ų | 120 | 112.8 Ų | 112.8 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.5 | -43.1 | 175.6 | -74.6 | 176.9 | -179 | 0 | 0 | 111.5 | M3 E4 F10 A11 | M3-E7 PolarHBondContact O-N 2.81Å; E4-E7 PolarHBondContact O-N 3.05Å; E7-F10 PolarHBondContact O-N 2.88Å; E7-A11 VanDerWaalsContact O-CB 3.31Å; E7-A11 WeakPolarHBondContact O-CB 3.24Å; E7-A11 PolarHBondContact O-N 2.81Å |
| 8 | D | 54.5 | Low | 52.5 | Low | 101 Ų | 101 | 113.9 Ų | 113.9 | 54% | 0.54 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.9 | -42.2 | 174.9 | -79.3 | -20.7 | 0 | 0 | 0 | 112 | E4 F10 A11 L12 | E4-D8 WeakPolarHBondContact O-CB 3.22Å; E4-D8 PolarHBondContact O-N 3.43Å; D8-F10 VanDerWaalsContact C-N 3.31Å; D8-F10 PolarHBondContact O-N 2.85Å; D8-A11 PolarHBondContact O-N 2.91Å; D8-L12 WeakPolarHBondContact O-CB 3.41Å; D8-L12 WeakPolarHBondContact O-CD1 3.26Å; D8-L12 PolarHBondContact O-N 3.37Å |
| 9 | K | 48.5 | Very low | 52.7 | Low | 128 Ų | 128 | 111 Ų | 111 | 56% | 0.557 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.6 | -36.3 | 174.2 | -84.4 | -129.2 | -179.2 | -175.4 | 0 | 112.7 | Y5 I6 K13 | Y5-K9 HydrophobicContact CD1-CG 4.47Å; Y5-K9 HydrophobicContact CE1-CD 4.28Å; Y5-K9 HydrophobicContact CE1-CG 4.12Å; Y5-K9 WeakPolarHBondContact O-CB 3.08Å; Y5-K9 WeakPolarHBondContact O-CG 3.32Å; Y5-K9 PolarHBondContact O-N 3.35Å; Y5-K9 VanDerWaalsContact O-N 3.07Å; Y5-K9 VanDerWaalsContact OH-CE 3.22Å; Y5-K9 WeakPolarHBondContact OH-CE 3.39Å; I6-K9 PolarHBondContact O-N 3.45Å; K9-K13 WeakPolarHBondContact O-CB 3.29Å; K9-K13 PolarHBondContact O-N 2.86Å |
| 10 | F | 46.2 | Very low | 52.9 | Low | 156 Ų | 156 | 106.2 Ų | 106.2 | 68% | 0.684 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -73.9 | -37.7 | 178.1 | -148.3 | -91.3 | 0 | 0 | 0 | 111.4 | I6 E7 D8 K13 S14 | I6-F10 WeakPolarHBondContact O-CB 3.39Å; I6-F10 PolarHBondContact O-N 3.42Å; E7-F10 PolarHBondContact O-N 2.88Å; D8-F10 VanDerWaalsContact C-N 3.31Å; D8-F10 PolarHBondContact O-N 2.85Å; F10-K13 PolarHBondContact O-N 3.42Å; F10-S14 VanDerWaalsContact O-CB 3.26Å; F10-S14 WeakPolarHBondContact O-CB 3.31Å; F10-S14 PolarHBondContact O-N 3.39Å |
| 11 | A | 52.2 | Low | 52.9 | Low | 52 Ų | 52 | 105.7 Ų | 105.7 | 43% | 0.43 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E7 D8 S14 Q15 | E7-A11 VanDerWaalsContact O-CB 3.31Å; E7-A11 WeakPolarHBondContact O-CB 3.24Å; E7-A11 PolarHBondContact O-N 2.81Å; D8-A11 PolarHBondContact O-N 2.91Å; A11-S14 CarbonylContact O-C 3.58Å; A11-S14 WeakPolarHBondContact O-CB 3.41Å; A11-S14 PolarHBondContact O-N 2.91Å; A11-Q15 VanDerWaalsContact O-CB 3.29Å; A11-Q15 WeakPolarHBondContact O-CB 3.34Å; A11-Q15 PolarHBondContact O-N 3.41Å |
| 12 | L | 53.2 | Low | 52.7 | Low | 115 Ų | 115 | 105.1 Ų | 105.1 | 60% | 0.602 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64 | -41.1 | 174 | -88.3 | 144.9 | 0 | 0 | 0 | 112.1 | D8 S14 Q15 A16 | D8-L12 WeakPolarHBondContact O-CB 3.41Å; D8-L12 WeakPolarHBondContact O-CD1 3.26Å; D8-L12 PolarHBondContact O-N 3.37Å; L12-S14 VanDerWaalsContact C-N 3.35Å; L12-Q15 PolarHBondContact O-N 3.16Å; L12-A16 WeakPolarHBondContact O-CB 3.4Å; L12-A16 PolarHBondContact O-N 3.41Å |
| 13 | K | 49.2 | Very low | 52.6 | Low | 111 Ų | 111 | 104.1 Ų | 104.1 | 48% | 0.483 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -38.1 | 173.3 | -166.1 | 175.2 | -179.2 | -176.4 | 0 | 111.1 | K9 F10 M17 E159 | K9-K13 WeakPolarHBondContact O-CB 3.29Å; K9-K13 PolarHBondContact O-N 2.86Å; F10-K13 PolarHBondContact O-N 3.42Å; K13-M17 WeakPolarHBondContact O-CB 3.22Å; K13-M17 WeakPolarHBondContact O-CG 3.49Å; K13-M17 PolarHBondContact O-N 3.21Å; K13-E159 IonicContact NZ-OE1 3.24Å; K13-E159 PolarHBondContact NZ-OE1 2.81Å |
| 14 | S | 47.8 | Very low | 53.2 | Low | 47 Ų | 47 | 97.8 Ų | 97.8 | 33% | 0.329 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.1 | -39.3 | 175.9 | -173.8 | 0 | 0 | 0 | 0 | 112.4 | F10 A11 L12 M17 K18 | F10-S14 VanDerWaalsContact O-CB 3.26Å; F10-S14 WeakPolarHBondContact O-CB 3.31Å; F10-S14 PolarHBondContact O-N 3.39Å; A11-S14 CarbonylContact O-C 3.58Å; A11-S14 WeakPolarHBondContact O-CB 3.41Å; A11-S14 PolarHBondContact O-N 2.91Å; L12-S14 VanDerWaalsContact C-N 3.35Å; S14-M17 WeakPolarHBondContact O-CB 3.49Å; S14-M17 PolarHBondContact O-N 3.2Å; S14-K18 WeakPolarHBondContact O-CG 3.37Å; S14-K18 PolarHBondContact O-N 2.99Å |
| 15 | Q | 47.2 | Very low | 53.7 | Low | 134 Ų | 134 | 95.5 Ų | 95.5 | 63% | 0.626 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -71.9 | -36.5 | 178 | -157.2 | 172.7 | 26.9 | 0 | 0 | 111.3 | A11 L12 M17 K18 A19 | A11-Q15 VanDerWaalsContact O-CB 3.29Å; A11-Q15 WeakPolarHBondContact O-CB 3.34Å; A11-Q15 PolarHBondContact O-N 3.41Å; L12-Q15 PolarHBondContact O-N 3.16Å; Q15-M17 VanDerWaalsContact C-N 3.35Å; Q15-K18 PolarHBondContact O-N 3.37Å; Q15-A19 VanDerWaalsContact O-CB 3.26Å; Q15-A19 WeakPolarHBondContact O-CB 3.03Å; Q15-A19 PolarHBondContact O-N 3.42Å |
| 16 | A | 54 | Low | 54.1 | Low | 59 Ų | 59 | 92.9 Ų | 92.9 | 49% | 0.488 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.6 | -37.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L12 S20 | L12-A16 WeakPolarHBondContact O-CB 3.4Å; L12-A16 PolarHBondContact O-N 3.41Å; A16-S20 WeakPolarHBondContact O-CB 3.06Å; A16-S20 PolarHBondContact O-N 3.29Å |
| 17 | M | 55.6 | Low | 54.4 | Low | 64 Ų | 64 | 89.4 Ų | 89.4 | 32% | 0.315 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 172.9 | -72.6 | -72.7 | 158.7 | 0 | 0 | 111.3 | K13 S14 Q15 S20 E21 R157 | K13-M17 WeakPolarHBondContact O-CB 3.22Å; K13-M17 WeakPolarHBondContact O-CG 3.49Å; K13-M17 PolarHBondContact O-N 3.21Å; S14-M17 WeakPolarHBondContact O-CB 3.49Å; S14-M17 PolarHBondContact O-N 3.2Å; Q15-M17 VanDerWaalsContact C-N 3.35Å; M17-S20 CarbonylContact O-C 3.54Å; M17-S20 PolarHBondContact O-N 3.07Å; M17-E21 WeakPolarHBondContact O-CB 3.44Å; M17-E21 PolarHBondContact O-N 3.07Å; M17-R157 PolarHBondContact O-NH2 3.5Å; M17-R157 HydrophobicContact SD-CG 4.14Å |
| 18 | K | 51.5 | Low | 55 | Low | 134 Ų | 134 | 84.2 Ų | 84.2 | 58% | 0.583 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -65.7 | -40.9 | 177 | -72.1 | 174.4 | -177.8 | 177.9 | 0 | 112.9 | S14 Q15 S20 E21 Y22 | S14-K18 WeakPolarHBondContact O-CG 3.37Å; S14-K18 PolarHBondContact O-N 2.99Å; Q15-K18 PolarHBondContact O-N 3.37Å; K18-S20 VanDerWaalsContact C-N 3.34Å; K18-E21 WeakPolarHBondContact O-CB 3.37Å; K18-E21 PolarHBondContact O-N 2.72Å; K18-E21 VanDerWaalsContact O-N 3.16Å; K18-Y22 WeakPolarHBondContact O-CB 3.35Å; K18-Y22 PolarHBondContact O-N 3.34Å |
| 19 | A | 55.4 | Low | 55.5 | Low | 58 Ų | 58 | 85.3 Ų | 85.3 | 48% | 0.479 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q15 E21 Y23 | Q15-A19 VanDerWaalsContact O-CB 3.26Å; Q15-A19 WeakPolarHBondContact O-CB 3.03Å; Q15-A19 PolarHBondContact O-N 3.42Å; A19-E21 VanDerWaalsContact C-N 3.29Å; A19-Y23 VanDerWaalsContact O-CB 3.24Å; A19-Y23 WeakPolarHBondContact O-CB 3.15Å; A19-Y23 PolarHBondContact O-N 2.76Å |
| 20 | S | 55.9 | Low | 56 | Low | 15 Ų | 15 | 83.1 Ų | 83.1 | 11% | 0.105 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -70.1 | -26.9 | 173 | -168.7 | 0 | 0 | 0 | 0 | 111.9 | A16 M17 K18 M24 Q153 R157 | A16-S20 WeakPolarHBondContact O-CB 3.06Å; A16-S20 PolarHBondContact O-N 3.29Å; M17-S20 CarbonylContact O-C 3.54Å; M17-S20 PolarHBondContact O-N 3.07Å; K18-S20 VanDerWaalsContact C-N 3.34Å; S20-M24 VanDerWaalsContact O-CB 3.23Å; S20-M24 WeakPolarHBondContact O-CB 3.36Å; S20-M24 WeakPolarHBondContact O-CG 3.44Å; S20-M24 PolarHBondContact O-N 3.3Å; S20-Q153 PolarHBondContact OG-NE2 3.24Å; S20-R157 VanDerWaalsContact CB-NH1 3.34Å; S20-R157 PolarHBondContact O-NH1 3.27Å; S20-R157 PolarHBondContact OG-NH1 2.96Å |
| 21 | E | 53.8 | Low | 56.6 | Low | 96 Ų | 96 | 79.6 Ų | 79.6 | 45% | 0.449 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -73.6 | -49 | 175.7 | -143 | 169.2 | 175 | 0 | 0 | 109.8 | M17 K18 A19 Y23 M24 D25 | M17-E21 WeakPolarHBondContact O-CB 3.44Å; M17-E21 PolarHBondContact O-N 3.07Å; K18-E21 WeakPolarHBondContact O-CB 3.37Å; K18-E21 PolarHBondContact O-N 2.72Å; K18-E21 VanDerWaalsContact O-N 3.16Å; A19-E21 VanDerWaalsContact C-N 3.29Å; E21-Y23 VanDerWaalsContact C-N 3.34Å; E21-Y23 PolarHBondContact O-N 2.98Å; E21-M24 PolarHBondContact O-N 2.91Å; E21-D25 WeakPolarHBondContact O-CB 3.13Å; E21-D25 PolarHBondContact O-N 2.87Å |
| 22 | Y | 56.2 | Low | 56.8 | Low | 163 Ų | 163 | 82.1 Ų | 82.1 | 64% | 0.639 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60.8 | -39.3 | 174.1 | -175.2 | -105.4 | 0 | 0 | 0 | 112.6 | K18 D25 Q26 | K18-Y22 WeakPolarHBondContact O-CB 3.35Å; K18-Y22 PolarHBondContact O-N 3.34Å; Y22-D25 PolarHBondContact O-N 2.71Å; Y22-Q26 WeakPolarHBondContact O-CB 3.48Å; Y22-Q26 PolarHBondContact O-N 2.86Å |
| 23 | Y | 56.5 | Low | 56.5 | Low | 115 Ų | 115 | 81.3 Ų | 81.3 | 45% | 0.451 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -75.5 | -36 | 177.5 | -165.6 | -87.2 | 0 | 0 | 0 | 112.6 | A19 E21 D25 Q26 V27 Y149 | A19-Y23 VanDerWaalsContact O-CB 3.24Å; A19-Y23 WeakPolarHBondContact O-CB 3.15Å; A19-Y23 PolarHBondContact O-N 2.76Å; E21-Y23 VanDerWaalsContact C-N 3.34Å; E21-Y23 PolarHBondContact O-N 2.98Å; Y23-D25 VanDerWaalsContact C-N 3.32Å; Y23-Q26 PolarHBondContact O-N 3.16Å; Y23-V27 HydrophobicContact CD1-CG2 3.69Å; Y23-V27 HydrophobicContact CE1-CG2 3.42Å; Y23-V27 VanDerWaalsContact CE1-CG2 3.42Å; Y23-V27 WeakPolarHBondContact O-CB 3.23Å; Y23-V27 VanDerWaalsContact O-CG2 3.22Å; Y23-V27 WeakPolarHBondContact O-CG2 3.48Å; Y23-V27 PolarHBondContact O-N 2.8Å; Y23-Y149 AromaticContact CD1-CE1 3.82Å; Y23-Y149 HydrophobicContact CD1-CE1 3.82Å; Y23-Y149 AromaticContact CD1-CZ 3.99Å; Y23-Y149 VanDerWaalsContact CD1-OH 3.32Å; Y23-Y149 WeakPolarHBondContact CD1-OH 3.42Å; Y23-Y149 HydrophobicContact CE1-CD1 4.36Å; Y23-Y149 AromaticContact CE1-CE1 3.28Å; Y23-Y149 HydrophobicContact CE1-CE1 3.28Å; Y23-Y149 AromaticContact CE1-CZ 3.44Å; Y23-Y149 VanDerWaalsContact CE1-CZ 3.44Å; Y23-Y149 WeakPolarHBondContact CE1-OH 3.39Å |
| 24 | M | 67.1 | Low | 56.4 | Low | 7 Ų | 7 | 79.4 Ų | 79.4 | 3% | 0.034 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -68.4 | -35.3 | 170.7 | -75.3 | -71.6 | -71.4 | 0 | 0 | 110.8 | S20 E21 V27 M28 V139 V150 Q153 | S20-M24 VanDerWaalsContact O-CB 3.23Å; S20-M24 WeakPolarHBondContact O-CB 3.36Å; S20-M24 WeakPolarHBondContact O-CG 3.44Å; S20-M24 PolarHBondContact O-N 3.3Å; E21-M24 PolarHBondContact O-N 2.91Å; M24-V27 PolarHBondContact O-N 3.41Å; M24-M28 HydrophobicContact CB-CE 4.48Å; M24-M28 WeakPolarHBondContact O-CA 3.26Å; M24-M28 WeakPolarHBondContact O-CB 3.32Å; M24-M28 WeakPolarHBondContact O-CG 3.41Å; M24-M28 PolarHBondContact O-N 3.16Å; M24-V139 HydrophobicContact CE-CG2 3.95Å; M24-V150 HydrophobicContact CE-CG1 4.05Å; M24-V150 HydrophobicContact SD-CG1 4.47Å; M24-Q153 HydrophobicContact SD-CB 4.14Å |
| 25 | D | 63.5 | Low | 56.3 | Low | 80 Ų | 80 | 84.2 Ų | 84.2 | 43% | 0.428 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 171.5 | -77.2 | -18.6 | 0 | 0 | 0 | 111.1 | E21 Y22 Y23 M28 E29 | E21-D25 WeakPolarHBondContact O-CB 3.13Å; E21-D25 PolarHBondContact O-N 2.87Å; Y22-D25 PolarHBondContact O-N 2.71Å; Y23-D25 VanDerWaalsContact C-N 3.32Å; D25-M28 CarbonylContact O-C 3.59Å; D25-M28 PolarHBondContact O-N 3.32Å; D25-M28 WeakPolarHBondContact OD1-CE 3.49Å; D25-E29 WeakPolarHBondContact O-CB 3.4Å; D25-E29 PolarHBondContact O-N 3.05Å |
| 26 | Q | 58.7 | Low | 56.1 | Low | 93 Ų | 93 | 87.5 Ų | 87.5 | 44% | 0.435 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 172.7 | -168.1 | 92.7 | 60.7 | 0 | 0 | 112.5 | Y22 Y23 M28 S30 | Y22-Q26 WeakPolarHBondContact O-CB 3.48Å; Y22-Q26 PolarHBondContact O-N 2.86Å; Y23-Q26 PolarHBondContact O-N 3.16Å; Q26-M28 VanDerWaalsContact C-N 3.35Å; Q26-S30 WeakPolarHBondContact O-CB 3.4Å; Q26-S30 PolarHBondContact O-N 3.31Å |
| 27 | V | 61.5 | Low | 55.4 | Low | 30 Ų | 30 | 92 Ų | 92 | 18% | 0.182 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 175.7 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | Y23 M24 S30 L31 V150 | Y23-V27 HydrophobicContact CD1-CG2 3.69Å; Y23-V27 HydrophobicContact CE1-CG2 3.42Å; Y23-V27 VanDerWaalsContact CE1-CG2 3.42Å; Y23-V27 WeakPolarHBondContact O-CB 3.23Å; Y23-V27 VanDerWaalsContact O-CG2 3.22Å; Y23-V27 WeakPolarHBondContact O-CG2 3.48Å; Y23-V27 PolarHBondContact O-N 2.8Å; M24-V27 PolarHBondContact O-N 3.41Å; V27-S30 PolarHBondContact O-N 2.88Å; V27-L31 WeakPolarHBondContact O-CG 3.42Å; V27-L31 PolarHBondContact O-N 2.88Å; V27-L31 VanDerWaalsContact O-N 3.07Å; V27-V150 HydrophobicContact CG1-CG2 4.08Å |
| 28 | M | 66.4 | Low | 54.5 | Low | 11 Ų | 11 | 95.7 Ų | 95.7 | 5% | 0.054 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -73.2 | -35 | 177.8 | -72.4 | -168.7 | -53 | 0 | 0 | 111.8 | M24 D25 Q26 L31 D32 K142 | M24-M28 HydrophobicContact CB-CE 4.48Å; M24-M28 WeakPolarHBondContact O-CA 3.26Å; M24-M28 WeakPolarHBondContact O-CB 3.32Å; M24-M28 WeakPolarHBondContact O-CG 3.41Å; M24-M28 PolarHBondContact O-N 3.16Å; D25-M28 CarbonylContact O-C 3.59Å; D25-M28 PolarHBondContact O-N 3.32Å; D25-M28 WeakPolarHBondContact OD1-CE 3.49Å; Q26-M28 VanDerWaalsContact C-N 3.35Å; M28-L31 PolarHBondContact O-N 2.97Å; M28-D32 PolarHBondContact O-N 3.29Å; M28-D32 VanDerWaalsContact O-N 3.07Å; M28-K142 HydrophobicContact CB-CD 4.06Å; M28-K142 HydrophobicContact CG-CD 3.79Å; M28-K142 HydrophobicContact SD-CD 3.33Å; M28-K142 WeakPolarHBondContact SD-CD 3.47Å; M28-K142 WeakPolarHBondContact SD-CE 3.45Å; M28-K142 PolarHBondContact SD-NZ 2.88Å |
| 29 | E | 65.3 | Low | 53.6 | Low | 123 Ų | 123 | 97.1 Ų | 97.1 | 58% | 0.575 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.2 | -37.3 | 171 | -175.4 | 173.1 | -154.1 | 0 | 0 | 111.1 | D25 L31 D32 S33 | D25-E29 WeakPolarHBondContact O-CB 3.4Å; D25-E29 PolarHBondContact O-N 3.05Å; E29-L31 VanDerWaalsContact C-N 3.29Å; E29-L31 PolarHBondContact O-N 3.2Å; E29-D32 PolarHBondContact O-N 3.36Å; E29-S33 PolarHBondContact O-N 3.27Å |
| 30 | S | 58.9 | Low | 52.9 | Low | 82 Ų | 82 | 100 Ų | 100 | 57% | 0.573 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.8 | -30 | 172.7 | -173.6 | 0 | 0 | 0 | 0 | 113 | Q26 V27 | Q26-S30 WeakPolarHBondContact O-CB 3.4Å; Q26-S30 PolarHBondContact O-N 3.31Å; V27-S30 PolarHBondContact O-N 2.88Å |
| 31 | L | 59 | Low | 52 | Low | 83 Ų | 83 | 104.3 Ų | 104.3 | 44% | 0.435 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -75.8 | -36 | 174.5 | -72.9 | 170.6 | 0 | 0 | 0 | 111.8 | V27 M28 E29 S33 A34 T143 | V27-L31 WeakPolarHBondContact O-CG 3.42Å; V27-L31 PolarHBondContact O-N 2.88Å; V27-L31 VanDerWaalsContact O-N 3.07Å; M28-L31 PolarHBondContact O-N 2.97Å; E29-L31 VanDerWaalsContact C-N 3.29Å; E29-L31 PolarHBondContact O-N 3.2Å; L31-S33 VanDerWaalsContact C-N 3.33Å; L31-A34 PolarHBondContact O-N 3.24Å; L31-T143 HydrophobicContact CD1-CG2 4.33Å |
| 32 | D | 55.5 | Low | 51.5 | Low | 104 Ų | 104 | 105.4 Ų | 105.4 | 56% | 0.556 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.8 | -31.2 | 173.6 | -72.8 | -21.7 | 0 | 0 | 0 | 112 | M28 E29 A34 | M28-D32 PolarHBondContact O-N 3.29Å; M28-D32 VanDerWaalsContact O-N 3.07Å; E29-D32 PolarHBondContact O-N 3.36Å; D32-A34 VanDerWaalsContact C-N 3.29Å; D32-A34 PolarHBondContact O-N 3.43Å |
| 33 | S | 46.8 | Very low | 50.6 | Low | 99 Ų | 99 | 106.6 Ų | 106.6 | 69% | 0.692 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -19.1 | 173.3 | -107.5 | 0 | 0 | 0 | 0 | 114.2 | E29 L31 H35 | E29-S33 PolarHBondContact O-N 3.27Å; L31-S33 VanDerWaalsContact C-N 3.33Å; S33-H35 PolarHBondContact O-N 2.77Å |
| 34 | A | 47.5 | Very low | 49.6 | Very low | 70 Ų | 70 | 107 Ų | 107 | 58% | 0.579 | 58% | 0.576 | S | S | * | * | trans | -83.1 | 33.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L31 D32 Y36 | L31-A34 PolarHBondContact O-N 3.24Å; D32-A34 VanDerWaalsContact C-N 3.29Å; D32-A34 PolarHBondContact O-N 3.43Å; A34-Y36 PolarHBondContact O-N 2.82Å | ||
| 35 | H | 45.9 | Very low | 48.5 | Very low | 149 Ų | 149 | 112.5 Ų | 112.5 | 69% | 0.69 | 61% | 0.61 | S | S | * | * | trans | -68.7 | 15.2 | 167.4 | -94.9 | -57.7 | 0 | 0 | 0 | 114.2 | S33 F37 | S33-H35 PolarHBondContact O-N 2.77Å; H35-F37 PolarHBondContact O-N 3Å | ||
| 36 | Y | 43.6 | Very low | 47.4 | Very low | 202 Ų | 202 | 117.8 Ų | 117.8 | 79% | 0.792 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 110.2 | 179.2 | -118.9 | -98 | 0 | 0 | 0 | 110.8 | A34 | A34-Y36 PolarHBondContact O-N 2.82Š|
| 37 | F | 38.9 | Very low | 46.5 | Very low | 154 Ų | 154 | 117.5 Ų | 117.5 | 68% | 0.675 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.9 | 55.3 | 179.1 | -64.1 | -76.1 | 0 | 0 | 0 | 118.2 | H35 K39 | H35-F37 PolarHBondContact O-N 3Å; F37-K39 VanDerWaalsContact C-N 3.3Å; F37-K39 HydrophobicContact CD1-CD 4.39Å; F37-K39 HydrophobicContact CD1-CG 4.19Å; F37-K39 PolarHBondContact O-N 3.41Å |
| 38 | N | 37.7 | Very low | 45.4 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 75% | 0.754 | 68% | 0.684 | S | S | * | * | trans | -75.1 | 87.2 | 140.9 | -119.7 | -38.8 | 0 | 0 | 0 | 108.7 | P40 | N38-P40 WeakPolarHBondContact O-CD 3.44Š| ||
| 39 | K | 32.6 | Very low | 43.9 | Very low | 164 Ų | 164 | 129.9 Ų | 129.9 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 119.1 | 162.1 | -85.8 | 179.1 | 177.7 | 179.9 | 0 | 107.5 | F37 S41 | F37-K39 VanDerWaalsContact C-N 3.3Å; F37-K39 HydrophobicContact CD1-CD 4.39Å; F37-K39 HydrophobicContact CD1-CG 4.19Å; F37-K39 PolarHBondContact O-N 3.41Å; K39-S41 PolarHBondContact O-N 2.8Å |
| 40 | P | 39.4 | Very low | 43 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 120.8 | 168.5 | 27.2 | -30.8 | 0 | 0 | 0 | 107.8 | N38 P42 | N38-P40 WeakPolarHBondContact O-CD 3.44Å; P40-P42 WeakPolarHBondContact O-CD 3.41Å |
| 41 | S | 36.5 | Very low | 42 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 118.9 | 167.9 | 179.1 | 0 | 0 | 0 | 0 | 108.8 | K39 K43 | K39-S41 PolarHBondContact O-N 2.8Å; S41-K43 PolarHBondContact O-N 3.37Å |
| 42 | P | 43.3 | Very low | 40.8 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 119.8 | 173.9 | 28.9 | -28.8 | 0 | 0 | 0 | 107.3 | P40 C44 | P40-P42 WeakPolarHBondContact O-CD 3.41Å; P42-C44 PolarHBondContact O-N 3.21Å |
| 43 | K | 37.3 | Very low | 39.8 | Very low | 187 Ų | 187 | 136.4 Ų | 136.4 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 126.8 | 171.5 | -66.7 | 174.5 | 178.2 | 174.5 | 0 | 108.8 | S41 T45 | S41-K43 PolarHBondContact O-N 3.37Å; K43-T45 PolarHBondContact O-N 2.91Å; K43-T45 VanDerWaalsContact O-N 3.09Å |
| 44 | C | 37 | Very low | 39.1 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | trans | -60.7 | 109.2 | 164.9 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | P42 | P42-C44 PolarHBondContact O-N 3.21Š| ||
| 45 | T | 43.2 | Very low | 38.6 | Very low | 123 Ų | 123 | 144.8 Ų | 144.8 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -134.1 | 84.9 | 168.2 | -41.6 | 0 | 0 | 0 | 0 | 105.6 | K43 | K43-T45 PolarHBondContact O-N 2.91Å; K43-T45 VanDerWaalsContact O-N 3.09Å | ||
| 46 | Q | 40.5 | Very low | 38.1 | Very low | 191 Ų | 191 | 149.9 Ų | 149.9 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -99.2 | 98.1 | 170.3 | -112.8 | -177.6 | -0.2 | 0 | 0 | 108.4 | ||||
| 47 | A | 39.2 | Very low | 37.7 | Very low | 87 Ų | 87 | 145 Ų | 145 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | trans | -88.4 | 151.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 48 | F | 39.8 | Very low | 37.7 | Very low | 222 Ų | 222 | 143.5 Ų | 143.5 | 97% | 0.974 | 81% | 0.808 | S | S | * | * | trans | -43.9 | 149 | -174.2 | -69.3 | -98.2 | 0 | 0 | 0 | 117.4 | ||||
| 49 | G | 34.5 | Very low | 38.1 | Very low | 80 Ų | 80 | 142 Ų | 142 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -177.4 | 97 | 162.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 50 | L | 46.5 | Very low | 38.1 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -67.4 | 133.1 | 168.8 | -74.4 | 157.9 | 0 | 0 | 0 | 111.6 | ||||
| 51 | Q | 38.5 | Very low | 37.9 | Very low | 200 Ų | 200 | 138.8 Ų | 138.8 | 94% | 0.935 | 82% | 0.818 | S | S | * | * | trans | 177.3 | 131.3 | 152.8 | -99.4 | 148.3 | 86.6 | 0 | 0 | 106 | ||||
| 52 | G | 32.3 | Very low | 37.7 | Very low | 72 Ų | 72 | 141.4 Ų | 141.4 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | cis | 120.5 | 88.9 | 26.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 53 | A | 34.3 | Very low | 37.2 | Very low | 90 Ų | 90 | 145.2 Ų | 145.2 | 74% | 0.744 | 83% | 0.831 | S | S | * | * | trans | 61.3 | 162.9 | 152.4 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 54 | E | 33.3 | Very low | 37 | Very low | 171 Ų | 171 | 141.7 Ų | 141.7 | 80% | 0.799 | 83% | 0.83 | S | S | * | * | trans | 98.2 | 91.8 | 158.9 | -45.7 | -73.4 | 96.1 | 0 | 0 | 119 | ||||
| 55 | H | 37.2 | Very low | 36.7 | Very low | 173 Ų | 173 | 139.6 Ų | 139.6 | 80% | 0.801 | 82% | 0.817 | S | S | * | * | 33 | 117.4 | 128.7 | -89.7 | -105.7 | 0 | 0 | 0 | 120.3 | |||||
| 56 | R | 34.6 | Very low | 36.3 | Very low | 256 Ų | 256 | 138.2 Ų | 138.2 | 97% | 0.966 | 81% | 0.812 | S | S | * | * | trans | -158.2 | 117.1 | 133 | -115 | 174 | -172.6 | -132.8 | 2.2 | 112.2 | ||||
| 57 | S | 35.1 | Very low | 35.9 | Very low | 101 Ų | 101 | 139.4 Ų | 139.4 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -90.3 | 143.2 | 173.6 | 38.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 58 | S | 39 | Very low | 35.5 | Very low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | 173.3 | 158.5 | 134 | -96.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 59 | P | 47.1 | Very low | 35.2 | Very low | 111 Ų | 111 | 135 Ų | 135 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | trans | -119 | 173.6 | -139.7 | 43.1 | -33 | 0 | 0 | 0 | 114.3 | ||||
| 60 | C | 32.6 | Very low | 35.7 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | trans | 170.9 | 140.1 | 145.5 | -87.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 61 | G | 33.8 | Very low | 35.1 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | cis | 168 | 121 | 4.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 62 | D | 31.8 | Very low | 35 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | trans | -68 | 136 | 175.1 | -107.6 | -55.1 | 0 | 0 | 0 | 111 | ||||
| 63 | Q | 34.1 | Very low | 35.1 | Very low | 200 Ų | 200 | 137.7 Ų | 137.7 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | trans | -139.1 | 106.7 | 155.8 | -80.6 | -177.6 | 84.3 | 0 | 0 | 109.6 | ||||
| 64 | S | 33 | Very low | 35.1 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -103.7 | 130.2 | 162.6 | 167.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 65 | S | 31.4 | Very low | 35 | Very low | 80 Ų | 80 | 139.7 Ų | 139.7 | 56% | 0.559 | 80% | 0.795 | S | S | * | * | trans | -167.7 | 104.8 | 148.6 | -158.6 | 0 | 0 | 0 | 0 | 107.1 | Y67 | S65-Y67 PolarHBondContact OG-OH 3.37Å; S65-Y67 VanDerWaalsContact OG-OH 3.06Å | ||
| 66 | S | 33.5 | Very low | 34.8 | Very low | 93 Ų | 93 | 136.2 Ų | 136.2 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | 53.2 | 112.7 | 80.2 | -174.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 67 | Y | 31.3 | Very low | 34.9 | Very low | 216 Ų | 216 | 132.7 Ų | 132.7 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | -177 | 130.8 | 129.1 | -44.4 | -64.2 | 0 | 0 | 0 | 105.2 | S65 | S65-Y67 PolarHBondContact OG-OH 3.37Å; S65-Y67 VanDerWaalsContact OG-OH 3.06Å | |||
| 68 | G | 31.7 | Very low | 34.8 | Very low | 80 Ų | 80 | 139.1 Ų | 139.1 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | 112.7 | 103.3 | 63.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 69 | V | 34.4 | Very low | 34.7 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -72.8 | 154.8 | 175 | 174.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 70 | P | 44.9 | Very low | 34 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | -152.1 | 174.4 | 55.7 | 38.1 | -12.9 | 0 | 0 | 0 | 121.1 | |||||
| 71 | K | 34.2 | Very low | 34.2 | Very low | 179 Ų | 179 | 142.4 Ų | 142.4 | 78% | 0.778 | 80% | 0.799 | S | S | * | * | trans | -34.9 | 149.8 | 174.7 | -69 | 173 | 167.9 | -178.6 | 0 | 118.7 | ||||
| 72 | T | 35.5 | Very low | 34.6 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | -150.4 | 149.5 | 127.2 | 35.2 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 73 | D | 34.7 | Very low | 34.9 | Very low | 132 Ų | 132 | 146.9 Ų | 146.9 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -73.9 | -178.4 | -165.6 | -56.5 | -82.1 | 0 | 0 | 0 | 115.9 | ||||
| 74 | E | 34 | Very low | 34.9 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | 114.6 | 102 | 157.3 | -59 | -73.6 | 91.1 | 0 | 0 | 116.9 | ||||
| 75 | D | 30.3 | Very low | 35.3 | Very low | 136 Ų | 136 | 143.6 Ų | 143.6 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | 95 | 137.3 | 123.2 | -128.9 | -40.3 | 0 | 0 | 0 | 122.2 | |||||
| 76 | S | 32.8 | Very low | 35.9 | Very low | 101 Ų | 101 | 147 Ų | 147 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | 86.8 | 80.8 | 155.2 | -72.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 77 | L | 37.4 | Very low | 36.4 | Very low | 182 Ų | 182 | 148.5 Ų | 148.5 | 95% | 0.953 | 81% | 0.809 | S | S | * | * | trans | -2.6 | 119.2 | 140.5 | -63.8 | 168 | 0 | 0 | 0 | 117.6 | ||||
| 78 | R | 33.7 | Very low | 36.7 | Very low | 235 Ų | 235 | 144 Ų | 144 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -83.2 | 132.3 | 162.2 | -100.8 | 174 | 152 | 167.6 | -5.8 | 111 | ||||
| 79 | S | 35.5 | Very low | 37.2 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | 71.9 | 82.6 | 136.4 | -54.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 80 | D | 33.6 | Very low | 37.3 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | trans | -110.3 | 105.6 | 153.3 | -90.9 | -55.2 | 0 | 0 | 0 | 110.5 | ||||
| 81 | L | 36.5 | Very low | 37.2 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | -158.5 | 75.7 | 142.5 | -144.5 | 82.1 | 0 | 0 | 0 | 110.4 | ||||
| 82 | A | 42.3 | Very low | 37.4 | Very low | 99 Ų | 99 | 150.7 Ų | 150.7 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -105.1 | 85.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 83 | R | 37.2 | Very low | 37.5 | Very low | 231 Ų | 231 | 148.7 Ų | 148.7 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | trans | -160 | 141.1 | 157.9 | -82.7 | -168.4 | 163.9 | 121.4 | -3.8 | 104.6 | ||||
| 84 | S | 34.6 | Very low | 37.6 | Very low | 90 Ų | 90 | 147.5 Ų | 147.5 | 63% | 0.629 | 82% | 0.822 | S | S | * | * | cis | 171 | 145.8 | -0.1 | -175.4 | 0 | 0 | 0 | 0 | 102.3 | ||||
| 85 | I | 41.5 | Very low | 38.3 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | 87 | 108.5 | 156.3 | -56.6 | 138.4 | 0 | 0 | 0 | 117.4 | ||||
| 86 | D | 45 | Very low | 38.7 | Very low | 153 Ų | 153 | 145.9 Ų | 145.9 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -42.7 | 148.3 | 148.9 | -64.2 | -85.6 | 0 | 0 | 0 | 113.4 | ||||
| 87 | S | 44.2 | Very low | 39.2 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | trans | 106.8 | 94.3 | 163.5 | -162.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 88 | C | 35.8 | Very low | 39.3 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -165.4 | 82.1 | 131.2 | 64.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 89 | C | 42.7 | Very low | 39.3 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 91% | 0.912 | 82% | 0.822 | S | S | * | * | trans | -93.9 | 92.3 | 149.9 | -89 | 0 | 0 | 0 | 0 | 108 | ||||
| 90 | S | 36.6 | Very low | 39.9 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -143.5 | 96.6 | 161.3 | -82.4 | 0 | 0 | 0 | 0 | 107.6 | R92 | S90-R92 PolarHBondContact O-N 3.07Å; S90-R92 VanDerWaalsContact O-N 3.16Å | ||
| 91 | L | 43.2 | Very low | 39.9 | Very low | 176 Ų | 176 | 139 Ų | 139 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | -65.4 | 110 | 171.9 | -72.9 | 161.1 | 0 | 0 | 0 | 108.3 | A93 | L91-A93 PolarHBondContact O-N 3.01Š| ||
| 92 | R | 37.6 | Very low | 40.2 | Very low | 233 Ų | 233 | 139.8 Ų | 139.8 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | 28 | 93.5 | 128.5 | -150.3 | -176.8 | -166.3 | -172.5 | 4.3 | 115.2 | S90 | S90-R92 PolarHBondContact O-N 3.07Å; S90-R92 VanDerWaalsContact O-N 3.16Å | |||
| 93 | A | 38.4 | Very low | 40.1 | Very low | 98 Ų | 98 | 142 Ų | 142 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | trans | -99.5 | 131.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | L91 | L91-A93 PolarHBondContact O-N 3.01Š| ||
| 94 | S | 37.6 | Very low | 40.6 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 76% | 0.755 | 83% | 0.827 | S | S | * | * | trans | -145.6 | 154.1 | 166.6 | -82.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 95 | P | 48.5 | Very low | 41.4 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 81% | 0.812 | 84% | 0.839 | S | S | * | * | trans | -99.9 | 159.4 | -137 | 36.3 | -32.6 | 0 | 0 | 0 | 112.6 | ||||
| 96 | V | 38.8 | Very low | 41.7 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 87% | 0.873 | 84% | 0.84 | S | S | * | * | trans | -134.1 | 134.4 | 153.8 | 100 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 97 | T | 43.5 | Very low | 42.1 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 79% | 0.785 | 84% | 0.842 | S | S | * | * | trans | -92.3 | 136.4 | 180 | 159.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 98 | S | 38.6 | Very low | 42.6 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 78% | 0.783 | 84% | 0.839 | S | S | * | * | trans | 174.3 | 118.1 | 136.5 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 99 | G | 34.2 | Very low | 43.1 | Very low | 77 Ų | 77 | 142.6 Ų | 142.6 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | 84.7 | 125.4 | 129.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 100 | P | 46.8 | Very low | 43.1 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 84% | 0.844 | 83% | 0.828 | S | S | * | * | trans | -98 | 145.8 | -179.3 | 37 | -29 | 0 | 0 | 0 | 113 | ||||
| 101 | E | 35.5 | Very low | 43.7 | Very low | 195 Ų | 195 | 147.5 Ų | 147.5 | 91% | 0.911 | 83% | 0.832 | S | S | * | * | trans | -156.9 | 151 | 145.1 | -137 | -176.3 | 114.8 | 0 | 0 | 112.2 | ||||
| 102 | K | 41 | Very low | 43.8 | Very low | 187 Ų | 187 | 144 Ų | 144 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | trans | -70 | 148.7 | -164.6 | -61.6 | 166 | 172.7 | -179 | 0 | 113.8 | ||||
| 103 | T | 41.6 | Very low | 44.5 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | -162.7 | 117.7 | 129.7 | 20.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 104 | E | 47.8 | Very low | 45.1 | Very low | 181 Ų | 181 | 140.1 Ų | 140.1 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -60.3 | 139.3 | 161.5 | -72.1 | 164.6 | 106.8 | 0 | 0 | 109.7 | ||||
| 105 | L | 50.2 | Low | 45.7 | Very low | 170 Ų | 170 | 142.9 Ų | 142.9 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | trans | -173.9 | 114.3 | 134.1 | -97.7 | 156.4 | 0 | 0 | 0 | 110 | ||||
| 106 | E | 48.8 | Very low | 45.8 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -28.6 | 131.5 | 160.8 | -41.6 | -91.5 | 121.6 | 0 | 0 | 114.7 | ||||
| 107 | D | 52.8 | Low | 46.2 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | -148.5 | 127.9 | 145.7 | -171 | 43.9 | 0 | 0 | 0 | 111.1 | ||||
| 108 | V | 54.8 | Low | 46.6 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -97.7 | 121.7 | -174.6 | 168.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 109 | G | 46.1 | Very low | 47.5 | Very low | 69 Ų | 69 | 138 Ų | 138 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -169.6 | 86.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 110 | D | 43.3 | Very low | 49 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | 55.7 | 99.8 | 145.5 | -131.8 | -100.8 | 0 | 0 | 0 | 119.7 | C112 | D110-C112 PolarHBondContact O-N 3.16Å; D110-C112 VanDerWaalsContact O-N 3.08Å | ||
| 111 | K | 49.4 | Very low | 50.2 | Low | 209 Ų | 209 | 146.5 Ų | 146.5 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -67.4 | 96.3 | 157.6 | -98.4 | 175.2 | 158.2 | 172.5 | 0 | 108.8 | ||||
| 112 | C | 45 | Very low | 52.4 | Low | 102 Ų | 102 | 148 Ų | 148 | 69% | 0.689 | 79% | 0.793 | S | S | * | * | trans | -84.5 | 113.2 | 162.5 | 52.2 | 0 | 0 | 0 | 0 | 110.2 | D110 S114 | D110-C112 PolarHBondContact O-N 3.16Å; D110-C112 VanDerWaalsContact O-N 3.08Å; C112-S114 PolarHBondContact O-N 3.26Å | ||
| 113 | D | 52.6 | Low | 54.4 | Low | 157 Ų | 157 | 150.5 Ų | 150.5 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | trans | -49.9 | 121.3 | 159.9 | -87.1 | -72.9 | 0 | 0 | 0 | 110.3 | ||||
| 114 | S | 49.3 | Very low | 56.5 | Low | 94 Ų | 94 | 151.1 Ų | 151.1 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | trans | -153.9 | 65.9 | 164.5 | -80.2 | 0 | 0 | 0 | 0 | 109.9 | C112 V116 | C112-S114 PolarHBondContact O-N 3.26Å; S114-V116 PolarHBondContact O-N 3.22Å | ||
| 115 | N | 50.5 | Low | 58.6 | Low | 165 Ų | 165 | 153.4 Ų | 153.4 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | trans | -63.2 | 82.4 | 145.9 | 178.1 | 29.4 | 0 | 0 | 0 | 108 | ||||
| 116 | V | 51.6 | Low | 60.6 | Low | 104 Ų | 104 | 147.6 Ų | 147.6 | 63% | 0.63 | 76% | 0.762 | S | S | * | * | trans | -123.9 | 101.8 | 171.3 | -160 | 0 | 0 | 0 | 0 | 107 | S114 | S114-V116 PolarHBondContact O-N 3.22Š| ||
| 117 | S | 46.3 | Very low | 62.8 | Low | 77 Ų | 77 | 145.3 Ų | 145.3 | 54% | 0.538 | 76% | 0.76 | S | S | . | * | trans | 31.2 | 119.1 | 154.6 | 69.7 | 0 | 0 | 0 | 0 | 116.4 | S119 | S117-S119 PolarHBondContact O-N 3.18Š| ||
| 118 | S | 51.9 | Low | 64.9 | Low | 130 Ų | 130 | 140.7 Ų | 140.7 | 91% | 0.909 | 73% | 0.732 | S | S | * | * | trans | -62.8 | 60.3 | 157.7 | 53.5 | 0 | 0 | 0 | 0 | 111.5 | K120 | S118-K120 PolarHBondContact O-N 3.09Š| ||
| 119 | S | 58.5 | Low | 67 | Low | 95 Ų | 95 | 138.1 Ų | 138.1 | 66% | 0.664 | 72% | 0.717 | S | S | * | * | trans | -63.2 | 106.8 | 166.6 | -95.3 | 0 | 0 | 0 | 0 | 106.9 | S117 K121 | S117-S119 PolarHBondContact O-N 3.18Å; S119-K121 PolarHBondContact O-N 3.17Å | ||
| 120 | K | 65.7 | Low | 69.5 | Low | 209 Ų | 209 | 138.7 Ų | 138.7 | 91% | 0.909 | 71% | 0.71 | S | S | * | * | trans | -38.6 | 94.8 | 177.4 | -154.8 | 156.5 | -171.1 | 154.9 | 0 | 110.3 | S118 R122 | S118-K120 PolarHBondContact O-N 3.09Å; K120-R122 PolarHBondContact O-N 2.78Å | ||
| 121 | K | 72 | Confident | 72 | Confident | 177 Ų | 177 | 134.9 Ų | 134.9 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | trans | -58.4 | 111.3 | -176.1 | -160.5 | 171.4 | -176 | 177.9 | 0 | 107.3 | S119 R123 | S119-K121 PolarHBondContact O-N 3.17Å; K121-R123 PolarHBondContact O-N 3.46Å | ||
| 122 | R | 80.4 | Confident | 74.3 | Confident | 228 Ų | 228 | 126.5 Ų | 126.5 | 86% | 0.86 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 127.6 | -176.1 | -150.9 | 170.9 | 82.8 | -176.7 | 4 | 107.7 | K120 H124 | K120-R122 PolarHBondContact O-N 2.78Å; R122-H124 PolarHBondContact O-N 2.88Å |
| 123 | R | 82.9 | Confident | 76.9 | Confident | 238 Ų | 238 | 124.9 Ų | 124.9 | 90% | 0.898 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 134.7 | -178 | -70.7 | -178.5 | -175.8 | 174.2 | 0.1 | 109.7 | K121 R125 | K121-R123 PolarHBondContact O-N 3.46Å; R123-R125 PolarHBondContact O-N 2.8Å |
| 124 | H | 86.2 | Confident | 79 | Confident | 159 Ų | 159 | 123.2 Ų | 123.2 | 74% | 0.736 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 125.6 | 177 | -63.9 | -49.8 | 0 | 0 | 0 | 109.9 | R122 | R122-H124 PolarHBondContact O-N 2.88Š|
| 125 | R | 91.8 | Very high | 81.3 | Confident | 230 Ų | 230 | 120.9 Ų | 120.9 | 87% | 0.868 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 133 | 179.8 | -174.5 | 180 | -175.9 | -175.9 | 1.9 | 108.6 | R123 | R123-R125 PolarHBondContact O-N 2.8Š|
| 126 | T | 92.6 | Very high | 83.6 | Confident | 47 Ų | 47 | 113 Ų | 113 | 29% | 0.288 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -72.3 | 129.7 | 172.3 | -48.6 | 0 | 0 | 0 | 0 | 110.1 | F128 L160 R164 | T126-F128 HydrophobicContact CG2-CE1 4.23Å; T126-F128 HydrophobicContact CG2-CZ 4.39Å; T126-L160 HydrophobicContact CG2-CD2 4.16Å; T126-R164 WeakPolarHBondContact OG1-CD 3.48Å |
| 127 | T | 95.3 | Very high | 85.8 | Confident | 123 Ų | 123 | 110.1 Ų | 110.1 | 76% | 0.755 | 55% | 0.55 | S | S | * | * | trans | -104.3 | 131.6 | 168.4 | 50.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 128 | F | 97.3 | Very high | 88.2 | Confident | 64 Ų | 64 | 110.3 Ų | 110.3 | 28% | 0.281 | 54% | 0.541 | S | S | . | . | trans | -95.1 | 139.9 | -179.6 | -56.5 | -82.2 | 0 | 0 | 0 | 109.9 | T126 L133 L136 L160 W168 | T126-F128 HydrophobicContact CG2-CE1 4.23Å; T126-F128 HydrophobicContact CG2-CZ 4.39Å; F128-L133 HydrophobicContact CB-CD1 4.42Å; F128-L133 HydrophobicContact CB-CD2 3.69Å; F128-L133 HydrophobicContact CB-CG 3.84Å; F128-L133 HydrophobicContact CD2-CD2 4.38Å; F128-L133 HydrophobicContact CG-CD2 4.1Å; F128-L136 HydrophobicContact CD1-CD1 4.5Å; F128-L160 HydrophobicContact CD1-CD1 3.69Å; F128-L160 HydrophobicContact CD1-CD2 4.42Å; F128-L160 HydrophobicContact CE1-CD1 3.59Å; F128-L160 HydrophobicContact CE1-CD2 4.38Å; F128-W168 AromaticContact CD2-CD1 4Å; F128-W168 AromaticContact CE2-CD1 3.71Å; F128-W168 HydrophobicContact CZ-CB 4.22Å; F128-W168 AromaticContact CZ-CD1 3.78Å; F128-W168 HydrophobicContact CZ-CG 4.4Å | ||
| 129 | T | 98.3 | Very high | 90.3 | Very high | 78 Ų | 78 | 104.3 Ų | 104.3 | 48% | 0.479 | 50% | 0.499 | S | S | . | . | trans | -76.5 | 164.6 | 170.6 | 69.7 | 0 | 0 | 0 | 0 | 110.6 | Q132 L133 | T129-Q132 PolarHBondContact O-N 2.91Å; T129-Q132 VanDerWaalsContact OG1-CG 3.24Å; T129-Q132 WeakPolarHBondContact OG1-CG 3.35Å; T129-Q132 PolarHBondContact OG1-N 2.93Å; T129-Q132 PolarHBondContact OG1-OE1 2.74Å; T129-L133 WeakPolarHBondContact O-CG 3.41Å; T129-L133 PolarHBondContact O-N 3.15Å; T129-L133 VanDerWaalsContact O-N 3.15Å | ||
| 130 | S | 97.7 | Very high | 92.2 | Very high | 81 Ų | 81 | 100 Ų | 100 | 57% | 0.566 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -58.9 | -49.3 | 177.8 | -164.6 | 0 | 0 | 0 | 0 | 111.8 | Q132 L133 E134 | S130-Q132 VanDerWaalsContact C-N 3.28Å; S130-Q132 PolarHBondContact O-N 3.14Å; S130-L133 WeakPolarHBondContact O-CA 3.38Å; S130-L133 WeakPolarHBondContact O-CB 3.33Å; S130-L133 PolarHBondContact O-N 2.97Å; S130-E134 WeakPolarHBondContact O-CG 3.46Å; S130-E134 PolarHBondContact O-N 3.48Å; S130-E134 PolarHBondContact OG-OE1 3.08Å |
| 131 | A | 97.1 | Very high | 93.7 | Very high | 66 Ų | 66 | 97.2 Ų | 97.2 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -57.9 | -38.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | E134 E135 | A131-E134 PolarHBondContact O-N 3.44Å; A131-E135 PolarHBondContact O-N 3.44Å |
| 132 | Q | 97.9 | Very high | 94.7 | Very high | 32 Ų | 32 | 93.2 Ų | 93.2 | 15% | 0.15 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 174.6 | -70.8 | 170.2 | -21.7 | 0 | 0 | 111.8 | T129 S130 L136 T158 | T129-Q132 PolarHBondContact O-N 2.91Å; T129-Q132 VanDerWaalsContact OG1-CG 3.24Å; T129-Q132 WeakPolarHBondContact OG1-CG 3.35Å; T129-Q132 PolarHBondContact OG1-N 2.93Å; T129-Q132 PolarHBondContact OG1-OE1 2.74Å; S130-Q132 VanDerWaalsContact C-N 3.28Å; S130-Q132 PolarHBondContact O-N 3.14Å; Q132-L136 WeakPolarHBondContact O-CB 3.37Å; Q132-L136 WeakPolarHBondContact O-CD1 3.33Å; Q132-L136 WeakPolarHBondContact O-CG 3.18Å; Q132-L136 PolarHBondContact O-N 3.35Å; Q132-L136 VanDerWaalsContact O-N 3.14Å; Q132-T158 HydrophobicContact CB-CG2 4.42Å; Q132-T158 HydrophobicContact CG-CG2 4.48Å; Q132-T158 PolarHBondContact NE2-O 3.43Å |
| 133 | L | 98.3 | Very high | 95.4 | Very high | 68 Ų | 68 | 83.9 Ų | 83.9 | 36% | 0.356 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.1 | -37.4 | 178.6 | -67.3 | 174.4 | 0 | 0 | 0 | 112 | F128 T129 S130 L136 E137 W168 | F128-L133 HydrophobicContact CB-CD1 4.42Å; F128-L133 HydrophobicContact CB-CD2 3.69Å; F128-L133 HydrophobicContact CB-CG 3.84Å; F128-L133 HydrophobicContact CD2-CD2 4.38Å; F128-L133 HydrophobicContact CG-CD2 4.1Å; T129-L133 WeakPolarHBondContact O-CG 3.41Å; T129-L133 PolarHBondContact O-N 3.15Å; T129-L133 VanDerWaalsContact O-N 3.15Å; S130-L133 WeakPolarHBondContact O-CA 3.38Å; S130-L133 WeakPolarHBondContact O-CB 3.33Å; S130-L133 PolarHBondContact O-N 2.97Å; L133-L136 PolarHBondContact O-N 3.05Å; L133-E137 VanDerWaalsContact O-CB 3.25Å; L133-E137 WeakPolarHBondContact O-CB 3.32Å; L133-E137 PolarHBondContact O-N 3.16Å; L133-W168 HydrophobicContact CD2-CZ2 4.24Å |
| 134 | E | 97.9 | Very high | 96.1 | Very high | 122 Ų | 122 | 75.4 Ų | 75.4 | 57% | 0.57 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.1 | -47.8 | 177.3 | -73.3 | 160.8 | -145.6 | 0 | 0 | 111.3 | S130 A131 E137 K138 | S130-E134 WeakPolarHBondContact O-CG 3.46Å; S130-E134 PolarHBondContact O-N 3.48Å; S130-E134 PolarHBondContact OG-OE1 3.08Å; A131-E134 PolarHBondContact O-N 3.44Å; E134-E137 PolarHBondContact O-N 3.46Å; E134-K138 WeakPolarHBondContact O-CB 3.12Å; E134-K138 PolarHBondContact O-N 3.44Å |
| 135 | E | 97.3 | Very high | 96.7 | Very high | 46 Ų | 46 | 75.2 Ų | 75.2 | 22% | 0.215 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 178.3 | -169.6 | 61.1 | -159.5 | 0 | 0 | 112 | A131 E137 K138 V139 L154 T158 | A131-E135 PolarHBondContact O-N 3.44Å; E135-E137 VanDerWaalsContact C-N 3.34Å; E135-E137 PolarHBondContact O-N 3.03Å; E135-K138 PolarHBondContact O-N 2.78Å; E135-V139 PolarHBondContact O-N 3.18Å; E135-L154 HydrophobicContact CG-CD2 3.94Å; E135-T158 HydrophobicContact CB-CG2 4.17Å; E135-T158 HydrophobicContact CG-CG2 4.32Å |
| 136 | L | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 176.1 | -69.5 | 168.4 | 0 | 0 | 0 | 111.9 | F128 Q132 L133 F140 L154 T158 V165 W168 F169 | F128-L136 HydrophobicContact CD1-CD1 4.5Å; Q132-L136 WeakPolarHBondContact O-CB 3.37Å; Q132-L136 WeakPolarHBondContact O-CD1 3.33Å; Q132-L136 WeakPolarHBondContact O-CG 3.18Å; Q132-L136 PolarHBondContact O-N 3.35Å; Q132-L136 VanDerWaalsContact O-N 3.14Å; L133-L136 PolarHBondContact O-N 3.05Å; L136-F140 WeakPolarHBondContact O-CB 3.47Å; L136-F140 PolarHBondContact O-N 3.31Å; L136-F140 VanDerWaalsContact O-N 3.08Å; L136-L154 HydrophobicContact CD2-CD1 4.32Å; L136-T158 HydrophobicContact CG-CG2 4.39Å; L136-V165 HydrophobicContact CD2-CG1 3.89Å; L136-V165 HydrophobicContact CD2-CG2 4.32Å; L136-W168 HydrophobicContact CB-CD2 4.11Å; L136-W168 HydrophobicContact CB-CE3 3.96Å; L136-W168 HydrophobicContact CB-CH2 3.68Å; L136-W168 HydrophobicContact CB-CZ2 3.8Å; L136-W168 HydrophobicContact CB-CZ3 3.76Å; L136-W168 HydrophobicContact CD1-CD2 3.86Å; L136-W168 HydrophobicContact CD1-CE3 4.39Å; L136-W168 HydrophobicContact CD1-CG 3.9Å; L136-W168 HydrophobicContact CD2-CE3 4.49Å; L136-W168 HydrophobicContact CG-CD2 4.45Å; L136-F169 HydrophobicContact CD2-CE2 3.93Å |
| 137 | E | 98.1 | Very high | 97.1 | Very high | 43 Ų | 43 | 67.4 Ų | 67.4 | 20% | 0.201 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -71.8 | -37 | 178.2 | -167.3 | 66.5 | -148.3 | 0 | 0 | 111.9 | L133 E134 E135 V139 F140 Q141 R172 | L133-E137 VanDerWaalsContact O-CB 3.25Å; L133-E137 WeakPolarHBondContact O-CB 3.32Å; L133-E137 PolarHBondContact O-N 3.16Å; E134-E137 PolarHBondContact O-N 3.46Å; E135-E137 VanDerWaalsContact C-N 3.34Å; E135-E137 PolarHBondContact O-N 3.03Å; E137-V139 VanDerWaalsContact C-N 3.29Å; E137-V139 PolarHBondContact O-N 2.92Å; E137-F140 WeakPolarHBondContact O-CB 3.24Å; E137-F140 PolarHBondContact O-N 2.95Å; E137-F140 VanDerWaalsContact O-N 3.08Å; E137-Q141 WeakPolarHBondContact O-CG 3.25Å; E137-Q141 PolarHBondContact O-N 3.08Å; E137-R172 VanDerWaalsContact CD-CZ 3.48Å; E137-R172 IonicContact OE1-CZ 3.25Å; E137-R172 VanDerWaalsContact OE1-CZ 3.25Å; E137-R172 IonicContact OE1-NE 3.35Å; E137-R172 PolarHBondContact OE1-NE 3.09Å; E137-R172 IonicContact OE1-NH2 2.65Å; E137-R172 PolarHBondContact OE1-NH2 3.27Å; E137-R172 IonicContact OE2-CZ 2.93Å; E137-R172 IonicContact OE2-NE 2.92Å; E137-R172 PolarHBondContact OE2-NE 3.04Å; E137-R172 IonicContact OE2-NH1 3.5Å; E137-R172 IonicContact OE2-NH2 3.13Å; E137-R172 PolarHBondContact OE2-NH2 3.32Å; E137-R172 VanDerWaalsContact OE2-NH2 3.13Å |
| 138 | K | 96.7 | Very high | 97.3 | Very high | 80 Ų | 80 | 64.5 Ų | 64.5 | 35% | 0.348 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -54.2 | -46 | 174.4 | -178.9 | -176.9 | 175.6 | -174.5 | 0 | 111.3 | E134 E135 | E134-K138 WeakPolarHBondContact O-CB 3.12Å; E134-K138 PolarHBondContact O-N 3.44Å; E135-K138 PolarHBondContact O-N 2.78Å |
| 139 | V | 96.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.024 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.5 | -37.9 | 175.8 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | M24 E135 E137 Q141 K142 T143 V150 L154 F169 | M24-V139 HydrophobicContact CE-CG2 3.95Å; E135-V139 PolarHBondContact O-N 3.18Å; E137-V139 VanDerWaalsContact C-N 3.29Å; E137-V139 PolarHBondContact O-N 2.92Å; V139-Q141 VanDerWaalsContact C-N 3.26Å; V139-Q141 PolarHBondContact O-N 3.08Å; V139-K142 PolarHBondContact O-N 3.36Å; V139-T143 HydrophobicContact CG1-CG2 4.25Å; V139-T143 PolarHBondContact O-N 3.4Å; V139-V150 HydrophobicContact CG1-CG1 4.13Å; V139-L154 HydrophobicContact CB-CD1 4.11Å; V139-L154 HydrophobicContact CG1-CD1 4.09Å; V139-L154 HydrophobicContact CG2-CD1 4.06Å; V139-L154 HydrophobicContact CG2-CD2 3.82Å; V139-L154 HydrophobicContact CG2-CG 4.28Å; V139-F169 HydrophobicContact CB-CZ 4.27Å; V139-F169 HydrophobicContact CG1-CZ 4.13Å |
| 140 | F | 97.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 62.3 Ų | 62.3 | 2% | 0.022 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.5 | -36.1 | 178.4 | -172.2 | -97.3 | 0 | 0 | 0 | 113 | L136 E137 K142 T143 H144 W168 F169 R172 R173 W176 | L136-F140 WeakPolarHBondContact O-CB 3.47Å; L136-F140 PolarHBondContact O-N 3.31Å; L136-F140 VanDerWaalsContact O-N 3.08Å; E137-F140 WeakPolarHBondContact O-CB 3.24Å; E137-F140 PolarHBondContact O-N 2.95Å; E137-F140 VanDerWaalsContact O-N 3.08Å; F140-K142 PolarHBondContact O-N 3.32Å; F140-T143 WeakPolarHBondContact CA-O 3.44Å; F140-T143 CarbonylContact O-C 3.48Å; F140-H144 AromaticContact CD1-CD2 3.69Å; F140-H144 AromaticContact CD2-CD2 3.89Å; F140-H144 AromaticContact CE1-CD2 3.25Å; F140-H144 WeakPolarHBondContact CE1-CD2 3.5Å; F140-H144 AromaticContact CE1-NE2 3.53Å; F140-H144 HydrophobicContact CE2-CB 3.98Å; F140-H144 AromaticContact CE2-CD2 3.47Å; F140-H144 VanDerWaalsContact CE2-CD2 3.47Å; F140-H144 WeakPolarHBondContact CE2-CD2 3.4Å; F140-H144 AromaticContact CG-CD2 3.99Å; F140-H144 HydrophobicContact CZ-CB 4.3Å; F140-H144 AromaticContact CZ-CD2 3.12Å; F140-H144 WeakPolarHBondContact CZ-CD2 3.47Å; F140-H144 AromaticContact CZ-CG 3.88Å; F140-H144 AromaticContact CZ-NE2 3.75Å; F140-H144 PolarHBondContact O-CD2 2.8Å; F140-W168 HydrophobicContact CB-CH2 4.48Å; F140-W168 HydrophobicContact CB-CZ3 4.33Å; F140-W168 HydrophobicContact CD2-CZ3 4.5Å; F140-F169 HydrophobicContact CB-CE1 4Å; F140-F169 AromaticContact CD2-CD1 3.79Å; F140-F169 HydrophobicContact CD2-CD1 3.79Å; F140-F169 AromaticContact CD2-CE1 3.77Å; F140-F169 HydrophobicContact CD2-CE1 3.77Å; F140-F169 HydrophobicContact CG-CE1 4.4Å; F140-R172 HydrophobicContact CD1-CG 3.89Å; F140-R172 HydrophobicContact CD2-CB 4.24Å; F140-R172 HydrophobicContact CD2-CG 3.52Å; F140-R172 HydrophobicContact CE1-CG 3.75Å; F140-R172 HydrophobicContact CE2-CB 3.98Å; F140-R172 HydrophobicContact CE2-CG 3.37Å; F140-R172 HydrophobicContact CG-CG 3.79Å; F140-R172 HydrophobicContact CZ-CB 4.42Å; F140-R172 HydrophobicContact CZ-CG 3.5Å; F140-R172 VanDerWaalsContact CZ-CG 3.5Å; F140-R173 HydrophobicContact CE2-CG 3.89Å; F140-R173 HydrophobicContact CZ-CG 4.44Å; F140-W176 HydrophobicContact CZ-CB 4.31Å; F140-W176 HydrophobicContact CZ-CG 4.46Å |
| 141 | Q | 96.9 | Very high | 97.2 | Very high | 150 Ų | 150 | 60.7 Ų | 60.7 | 70% | 0.701 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.3 | -29.9 | 175.9 | -72 | 173.7 | 9.7 | 0 | 0 | 112.9 | E137 V139 | E137-Q141 WeakPolarHBondContact O-CG 3.25Å; E137-Q141 PolarHBondContact O-N 3.08Å; V139-Q141 VanDerWaalsContact C-N 3.26Å; V139-Q141 PolarHBondContact O-N 3.08Å |
| 142 | K | 93.7 | Very high | 97.3 | Very high | 93 Ų | 93 | 62.1 Ų | 62.1 | 40% | 0.404 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -88.5 | -47.5 | 178.5 | -59.5 | -168.9 | -174.3 | -163.9 | 0 | 112.1 | M28 V139 F140 | M28-K142 HydrophobicContact CB-CD 4.06Å; M28-K142 HydrophobicContact CG-CD 3.79Å; M28-K142 HydrophobicContact SD-CD 3.33Å; M28-K142 WeakPolarHBondContact SD-CD 3.47Å; M28-K142 WeakPolarHBondContact SD-CE 3.45Å; M28-K142 PolarHBondContact SD-NZ 2.88Å; V139-K142 PolarHBondContact O-N 3.36Å; F140-K142 PolarHBondContact O-N 3.32Å |
| 143 | T | 95.7 | Very high | 97.2 | Very high | 32 Ų | 32 | 62 Ų | 62 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | trans | -140 | 127.6 | 176.3 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | L31 V139 F140 Y145 P146 | L31-T143 HydrophobicContact CD1-CG2 4.33Å; V139-T143 HydrophobicContact CG1-CG2 4.25Å; V139-T143 PolarHBondContact O-N 3.4Å; F140-T143 WeakPolarHBondContact CA-O 3.44Å; F140-T143 CarbonylContact O-C 3.48Å; T143-Y145 PolarHBondContact O-N 2.94Å; T143-Y145 PolarHBondContact OG1-N 3.46Å; T143-Y145 VanDerWaalsContact OG1-N 3.17Å; T143-Y145 PolarHBondContact OG1-O 3.14Å; T143-P146 HydrophobicContact CG2-CB 4.27Å | ||
| 144 | H | 97.3 | Very high | 97.2 | Very high | 61 Ų | 61 | 58.9 Ų | 58.9 | 28% | 0.282 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -74.4 | -17.3 | 173.1 | -58.7 | 140.4 | 0 | 0 | 0 | 112.7 | F140 R173 | F140-H144 AromaticContact CD1-CD2 3.69Å; F140-H144 AromaticContact CD2-CD2 3.89Å; F140-H144 AromaticContact CE1-CD2 3.25Å; F140-H144 WeakPolarHBondContact CE1-CD2 3.5Å; F140-H144 AromaticContact CE1-NE2 3.53Å; F140-H144 HydrophobicContact CE2-CB 3.98Å; F140-H144 AromaticContact CE2-CD2 3.47Å; F140-H144 VanDerWaalsContact CE2-CD2 3.47Å; F140-H144 WeakPolarHBondContact CE2-CD2 3.4Å; F140-H144 AromaticContact CG-CD2 3.99Å; F140-H144 HydrophobicContact CZ-CB 4.3Å; F140-H144 AromaticContact CZ-CD2 3.12Å; F140-H144 WeakPolarHBondContact CZ-CD2 3.47Å; F140-H144 AromaticContact CZ-CG 3.88Å; F140-H144 AromaticContact CZ-NE2 3.75Å; F140-H144 PolarHBondContact O-CD2 2.8Å; H144-R173 HydrophobicContact CB-CG 4.28Å; H144-R173 VanDerWaalsContact O-CD 3.24Å; H144-R173 WeakPolarHBondContact O-CD 3.38Å; H144-R173 PolarHBondContact O-NH1 3.47Å |
| 145 | Y | 97.9 | Very high | 97.2 | Very high | 155 Ų | 155 | 53.5 Ų | 53.5 | 61% | 0.608 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -127.9 | 71.7 | -175.1 | -66.2 | -94.2 | 0 | 0 | 0 | 110.7 | T143 R173 | T143-Y145 PolarHBondContact O-N 2.94Å; T143-Y145 PolarHBondContact OG1-N 3.46Å; T143-Y145 VanDerWaalsContact OG1-N 3.17Å; T143-Y145 PolarHBondContact OG1-O 3.14Å; Y145-R173 VanDerWaalsContact CE1-CD 3.48Å; Y145-R173 VanDerWaalsContact CE1-NE 3.28Å |
| 146 | P | 96.5 | Very high | 97.2 | Very high | 6 Ų | 6 | 57.7 Ų | 57.7 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | trans | -67 | 138.4 | 176.8 | 29.2 | -36.5 | 0 | 0 | 0 | 111.1 | T143 V150 R151 F169 | T143-P146 HydrophobicContact CG2-CB 4.27Å; P146-V150 HydrophobicContact CB-CB 4.06Å; P146-V150 HydrophobicContact CB-CG1 3.8Å; P146-R151 HydrophobicContact CB-CG 4.07Å; P146-R151 HydrophobicContact CG-CG 3.86Å; P146-R151 PolarHBondContact O-NH1 3.11Å; P146-F169 VanDerWaalsContact CD-CD1 3.43Å; P146-F169 HydrophobicContact CG-CD1 3.58Å; P146-F169 HydrophobicContact CG-CD2 4.01Å; P146-F169 HydrophobicContact CG-CE1 3.54Å; P146-F169 HydrophobicContact CG-CE2 3.98Å; P146-F169 HydrophobicContact CG-CG 3.84Å; P146-F169 HydrophobicContact CG-CZ 3.76Å | ||
| 147 | D | 97.7 | Very high | 97.1 | Very high | 106 Ų | 106 | 59.9 Ų | 59.9 | 57% | 0.567 | 28% | 0.279 | S | S | * | . | trans | -69.8 | 166.3 | 175.4 | -172.6 | 28.1 | 0 | 0 | 0 | 112.3 | Y149 V150 R151 | D147-Y149 VanDerWaalsContact C-N 3.3Å; D147-Y149 PolarHBondContact O-N 2.65Å; D147-V150 PolarHBondContact O-N 3.04Å; D147-V150 VanDerWaalsContact O-N 3.16Å; D147-R151 WeakPolarHBondContact O-CG 3.47Å; D147-R151 PolarHBondContact O-N 3.25Å | ||
| 148 | V | 97.6 | Very high | 97 | Very high | 62 Ų | 62 | 58.2 Ų | 58.2 | 38% | 0.376 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -50.6 | -47.6 | -179.5 | 66.3 | 0 | 0 | 0 | 0 | 112 | V150 R151 E152 | V148-V150 PolarHBondContact O-N 3.21Å; V148-R151 PolarHBondContact O-N 2.85Å; V148-R151 VanDerWaalsContact O-N 3.14Å; V148-E152 WeakPolarHBondContact O-CG 3.39Å; V148-E152 PolarHBondContact O-N 3.39Å |
| 149 | Y | 97.2 | Very high | 97 | Very high | 82 Ų | 82 | 61.3 Ų | 61.3 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 179.8 | 178.8 | -90.8 | 0 | 0 | 0 | 111.9 | Y23 D147 R151 E152 Q153 | Y23-Y149 AromaticContact CD1-CE1 3.82Å; Y23-Y149 HydrophobicContact CD1-CE1 3.82Å; Y23-Y149 AromaticContact CD1-CZ 3.99Å; Y23-Y149 VanDerWaalsContact CD1-OH 3.32Å; Y23-Y149 WeakPolarHBondContact CD1-OH 3.42Å; Y23-Y149 HydrophobicContact CE1-CD1 4.36Å; Y23-Y149 AromaticContact CE1-CE1 3.28Å; Y23-Y149 HydrophobicContact CE1-CE1 3.28Å; Y23-Y149 AromaticContact CE1-CZ 3.44Å; Y23-Y149 VanDerWaalsContact CE1-CZ 3.44Å; Y23-Y149 WeakPolarHBondContact CE1-OH 3.39Å; D147-Y149 VanDerWaalsContact C-N 3.3Å; D147-Y149 PolarHBondContact O-N 2.65Å; Y149-R151 VanDerWaalsContact C-N 3.28Å; Y149-R151 PolarHBondContact O-N 2.89Å; Y149-E152 PolarHBondContact O-N 3.31Å; Y149-Q153 HydrophobicContact CD1-CG 4.25Å; Y149-Q153 HydrophobicContact CE1-CG 3.65Å; Y149-Q153 HydrophobicContact CE2-CG 4.47Å; Y149-Q153 WeakPolarHBondContact O-CG 3.39Å; Y149-Q153 PolarHBondContact O-N 3.48Å |
| 150 | V | 96.7 | Very high | 97 | Very high | 14 Ų | 14 | 62.4 Ų | 62.4 | 9% | 0.085 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.6 | -38 | 178.2 | 179.5 | 0 | 0 | 0 | 0 | 111 | M24 V27 V139 P146 D147 V148 L154 | M24-V150 HydrophobicContact CE-CG1 4.05Å; M24-V150 HydrophobicContact SD-CG1 4.47Å; V27-V150 HydrophobicContact CG1-CG2 4.08Å; V139-V150 HydrophobicContact CG1-CG1 4.13Å; P146-V150 HydrophobicContact CB-CB 4.06Å; P146-V150 HydrophobicContact CB-CG1 3.8Å; D147-V150 PolarHBondContact O-N 3.04Å; D147-V150 VanDerWaalsContact O-N 3.16Å; V148-V150 PolarHBondContact O-N 3.21Å; V150-L154 HydrophobicContact CG1-CD1 4.47Å; V150-L154 WeakPolarHBondContact O-CG 3.34Å; V150-L154 PolarHBondContact O-N 3.13Å; V150-L154 VanDerWaalsContact O-N 3.08Å |
| 151 | R | 98.3 | Very high | 97 | Very high | 47 Ų | 47 | 66.1 Ų | 66.1 | 18% | 0.177 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.7 | -37 | 176.7 | -65.8 | -166.8 | -51.5 | -89.8 | -2 | 112.4 | P146 D147 V148 Y149 L154 A155 E162 V165 | P146-R151 HydrophobicContact CB-CG 4.07Å; P146-R151 HydrophobicContact CG-CG 3.86Å; P146-R151 PolarHBondContact O-NH1 3.11Å; D147-R151 WeakPolarHBondContact O-CG 3.47Å; D147-R151 PolarHBondContact O-N 3.25Å; V148-R151 PolarHBondContact O-N 2.85Å; V148-R151 VanDerWaalsContact O-N 3.14Å; Y149-R151 VanDerWaalsContact C-N 3.28Å; Y149-R151 PolarHBondContact O-N 2.89Å; R151-L154 PolarHBondContact O-N 2.92Å; R151-A155 WeakPolarHBondContact O-CB 3.43Å; R151-A155 PolarHBondContact O-N 2.92Å; R151-E162 HydrophobicContact CB-CG 3.99Å; R151-E162 IonicContact CZ-OE1 3.26Å; R151-E162 VanDerWaalsContact CZ-OE1 3.26Å; R151-E162 IonicContact NE-OE1 2.74Å; R151-E162 PolarHBondContact NE-OE1 3.16Å; R151-E162 IonicContact NH2-OE1 2.88Å; R151-E162 PolarHBondContact NH2-OE1 3.46Å; R151-V165 HydrophobicContact CB-CG1 4.19Å; R151-V165 HydrophobicContact CG-CG1 4.23Å |
| 152 | E | 98.1 | Very high | 97.1 | Very high | 96 Ų | 96 | 61.3 Ų | 61.3 | 45% | 0.449 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 175 | -72.5 | 176.9 | 164.4 | 0 | 0 | 111.6 | V148 Y149 L154 A155 M156 E162 | V148-E152 WeakPolarHBondContact O-CG 3.39Å; V148-E152 PolarHBondContact O-N 3.39Å; Y149-E152 PolarHBondContact O-N 3.31Å; E152-L154 PolarHBondContact O-N 2.65Å; E152-A155 WeakPolarHBondContact O-CB 3.46Å; E152-A155 PolarHBondContact O-N 3Å; E152-A155 VanDerWaalsContact O-N 3.15Å; E152-M156 PolarHBondContact O-N 3Å; E152-E162 HydrophobicContact CG-CG 4.07Å |
| 153 | Q | 96.7 | Very high | 97.3 | Very high | 31 Ų | 31 | 58.8 Ų | 58.8 | 15% | 0.145 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 175.9 | -65 | -61 | 89.1 | 0 | 0 | 112.2 | S20 M24 Y149 A155 M156 R157 | S20-Q153 PolarHBondContact OG-NE2 3.24Å; M24-Q153 HydrophobicContact SD-CB 4.14Å; Y149-Q153 HydrophobicContact CD1-CG 4.25Å; Y149-Q153 HydrophobicContact CE1-CG 3.65Å; Y149-Q153 HydrophobicContact CE2-CG 4.47Å; Y149-Q153 WeakPolarHBondContact O-CG 3.39Å; Y149-Q153 PolarHBondContact O-N 3.48Å; Q153-A155 VanDerWaalsContact C-N 3.32Å; Q153-A155 PolarHBondContact O-N 3.19Å; Q153-M156 PolarHBondContact O-N 3.04Å; Q153-R157 PolarHBondContact O-N 2.78Å |
| 154 | L | 97.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 173.5 | -81 | 172.1 | 0 | 0 | 0 | 112.3 | E135 L136 V139 V150 R151 E152 M156 R157 T158 V165 F169 | E135-L154 HydrophobicContact CG-CD2 3.94Å; L136-L154 HydrophobicContact CD2-CD1 4.32Å; V139-L154 HydrophobicContact CB-CD1 4.11Å; V139-L154 HydrophobicContact CG1-CD1 4.09Å; V139-L154 HydrophobicContact CG2-CD1 4.06Å; V139-L154 HydrophobicContact CG2-CD2 3.82Å; V139-L154 HydrophobicContact CG2-CG 4.28Å; V150-L154 HydrophobicContact CG1-CD1 4.47Å; V150-L154 WeakPolarHBondContact O-CG 3.34Å; V150-L154 PolarHBondContact O-N 3.13Å; V150-L154 VanDerWaalsContact O-N 3.08Å; R151-L154 PolarHBondContact O-N 2.92Å; E152-L154 PolarHBondContact O-N 2.65Å; L154-M156 VanDerWaalsContact C-N 3.32Å; L154-M156 PolarHBondContact O-N 3.35Å; L154-R157 PolarHBondContact O-N 3.47Å; L154-T158 WeakPolarHBondContact O-CB 3.41Å; L154-T158 WeakPolarHBondContact O-CG2 3.39Å; L154-T158 PolarHBondContact O-N 2.98Å; L154-T158 PolarHBondContact O-OG1 3.42Å; L154-V165 HydrophobicContact CB-CG1 4.14Å; L154-V165 HydrophobicContact CD1-CG1 4.2Å; L154-F169 HydrophobicContact CD1-CE2 3.84Å; L154-F169 HydrophobicContact CD1-CZ 4.09Å |
| 155 | A | 98.1 | Very high | 97.4 | Very high | 9 Ų | 9 | 59 Ų | 59 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R151 E152 Q153 E159 L160 E162 V165 | R151-A155 WeakPolarHBondContact O-CB 3.43Å; R151-A155 PolarHBondContact O-N 2.92Å; E152-A155 WeakPolarHBondContact O-CB 3.46Å; E152-A155 PolarHBondContact O-N 3Å; E152-A155 VanDerWaalsContact O-N 3.15Å; Q153-A155 VanDerWaalsContact C-N 3.32Å; Q153-A155 PolarHBondContact O-N 3.19Å; A155-E159 WeakPolarHBondContact O-CA 3.25Å; A155-E159 PolarHBondContact O-N 3.36Å; A155-L160 CarbonylContact C-O 3.5Å; A155-L160 WeakPolarHBondContact CB-O 3.47Å; A155-L160 PolarHBondContact O-N 3.3Å; A155-L160 VanDerWaalsContact O-O 3.11Å; A155-E162 HydrophobicContact CB-CB 4.39Å; A155-V165 HydrophobicContact CB-CG2 4.11Å |
| 156 | M | 97.4 | Very high | 97.4 | Very high | 134 Ų | 134 | 55.2 Ų | 55.2 | 66% | 0.66 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.9 | -44.9 | 174.4 | -66.6 | -176 | 68.1 | 0 | 0 | 112.7 | E152 Q153 L154 | E152-M156 PolarHBondContact O-N 3Å; Q153-M156 PolarHBondContact O-N 3.04Å; L154-M156 VanDerWaalsContact C-N 3.32Å; L154-M156 PolarHBondContact O-N 3.35Å |
| 157 | R | 95.5 | Very high | 97.5 | Very high | 47 Ų | 47 | 58 Ų | 58 | 18% | 0.177 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 179.5 | -94.8 | -166.8 | 159.2 | 87.2 | 8.3 | 113.7 | M17 S20 Q153 L154 | M17-R157 PolarHBondContact O-NH2 3.5Å; M17-R157 HydrophobicContact SD-CG 4.14Å; S20-R157 VanDerWaalsContact CB-NH1 3.34Å; S20-R157 PolarHBondContact O-NH1 3.27Å; S20-R157 PolarHBondContact OG-NH1 2.96Å; Q153-R157 PolarHBondContact O-N 2.78Å; L154-R157 PolarHBondContact O-N 3.47Å |
| 158 | T | 96.8 | Very high | 97.6 | Very high | 8 Ų | 8 | 54 Ų | 54 | 5% | 0.049 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -90.7 | -2.7 | -175 | 57.9 | 0 | 0 | 0 | 0 | 113.1 | Q132 E135 L136 L154 L160 | Q132-T158 HydrophobicContact CB-CG2 4.42Å; Q132-T158 HydrophobicContact CG-CG2 4.48Å; Q132-T158 PolarHBondContact NE2-O 3.43Å; E135-T158 HydrophobicContact CB-CG2 4.17Å; E135-T158 HydrophobicContact CG-CG2 4.32Å; L136-T158 HydrophobicContact CG-CG2 4.39Å; L154-T158 WeakPolarHBondContact O-CB 3.41Å; L154-T158 WeakPolarHBondContact O-CG2 3.39Å; L154-T158 PolarHBondContact O-N 2.98Å; L154-T158 PolarHBondContact O-OG1 3.42Å; T158-L160 VanDerWaalsContact C-N 3.29Å; T158-L160 PolarHBondContact O-N 2.87Å; T158-L160 WeakPolarHBondContact OG1-CD1 3.46Å |
| 159 | E | 97.8 | Very high | 97.6 | Very high | 144 Ų | 144 | 51.1 Ų | 51.1 | 67% | 0.673 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 43.8 | -174.9 | -56.4 | -172.6 | 171.8 | 0 | 0 | 112.2 | K13 A155 | K13-E159 IonicContact NZ-OE1 3.24Å; K13-E159 PolarHBondContact NZ-OE1 2.81Å; A155-E159 WeakPolarHBondContact O-CA 3.25Å; A155-E159 PolarHBondContact O-N 3.36Å |
| 160 | L | 96.8 | Very high | 97.7 | Very high | 28 Ų | 28 | 51.4 Ų | 51.4 | 15% | 0.147 | 25% | 0.253 | C | S | . | . | trans | -120 | 168.1 | 177.8 | -63 | 173.4 | 0 | 0 | 0 | 110 | T126 F128 A155 T158 R164 V165 | T126-L160 HydrophobicContact CG2-CD2 4.16Å; F128-L160 HydrophobicContact CD1-CD1 3.69Å; F128-L160 HydrophobicContact CD1-CD2 4.42Å; F128-L160 HydrophobicContact CE1-CD1 3.59Å; F128-L160 HydrophobicContact CE1-CD2 4.38Å; A155-L160 CarbonylContact C-O 3.5Å; A155-L160 WeakPolarHBondContact CB-O 3.47Å; A155-L160 PolarHBondContact O-N 3.3Å; A155-L160 VanDerWaalsContact O-O 3.11Å; T158-L160 VanDerWaalsContact C-N 3.29Å; T158-L160 PolarHBondContact O-N 2.87Å; T158-L160 WeakPolarHBondContact OG1-CD1 3.46Å; L160-R164 HydrophobicContact CB-CB 4.31Å; L160-V165 HydrophobicContact CB-CG2 4.37Å | ||
| 161 | T | 97.9 | Very high | 97.7 | Very high | 83 Ų | 83 | 55.1 Ų | 55.1 | 51% | 0.509 | 27% | 0.272 | S | S | . | . | trans | -83 | 149.6 | 167.8 | 73.1 | 0 | 0 | 0 | 0 | 110.7 | A163 R164 V165 | T161-A163 PolarHBondContact O-N 3.24Å; T161-A163 VanDerWaalsContact O-N 3.16Å; T161-R164 WeakPolarHBondContact O-CA 3.48Å; T161-R164 WeakPolarHBondContact O-CB 3.45Å; T161-R164 PolarHBondContact O-N 3.43Å; T161-R164 WeakPolarHBondContact OG1-CG 3.37Å; T161-V165 PolarHBondContact O-N 3.26Å | ||
| 162 | E | 97.9 | Very high | 97.7 | Very high | 49 Ų | 49 | 56 Ų | 56 | 23% | 0.229 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -50.5 | -41.8 | 176.4 | -176 | -79.8 | 162.4 | 0 | 0 | 111.2 | R151 E152 A155 R164 V165 Q166 | R151-E162 HydrophobicContact CB-CG 3.99Å; R151-E162 IonicContact CZ-OE1 3.26Å; R151-E162 VanDerWaalsContact CZ-OE1 3.26Å; R151-E162 IonicContact NE-OE1 2.74Å; R151-E162 PolarHBondContact NE-OE1 3.16Å; R151-E162 IonicContact NH2-OE1 2.88Å; R151-E162 PolarHBondContact NH2-OE1 3.46Å; E152-E162 HydrophobicContact CG-CG 4.07Å; A155-E162 HydrophobicContact CB-CB 4.39Å; E162-R164 VanDerWaalsContact C-N 3.28Å; E162-R164 PolarHBondContact O-N 2.92Å; E162-V165 CarbonylContact O-C 3.58Å; E162-V165 WeakPolarHBondContact O-CA 3.48Å; E162-V165 WeakPolarHBondContact O-CB 3.44Å; E162-V165 PolarHBondContact O-N 2.97Å; E162-Q166 WeakPolarHBondContact O-CB 3.35Å; E162-Q166 PolarHBondContact O-N 3.14Å |
| 163 | A | 97.5 | Very high | 97.7 | Very high | 39 Ų | 39 | 53.6 Ų | 53.6 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.4 | -34.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | T161 V167 | T161-A163 PolarHBondContact O-N 3.24Å; T161-A163 VanDerWaalsContact O-N 3.16Å; A163-V167 WeakPolarHBondContact O-CB 3.4Å; A163-V167 VanDerWaalsContact O-CG2 3.23Å; A163-V167 WeakPolarHBondContact O-CG2 3.4Å; A163-V167 PolarHBondContact O-N 3.15Å |
| 164 | R | 97.9 | Very high | 97.7 | Very high | 99 Ų | 99 | 54 Ų | 54 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.5 | -42.2 | 174.1 | -64 | -59.5 | 96 | 147.5 | 9 | 111 | T126 L160 T161 E162 V167 W168 | T126-R164 WeakPolarHBondContact OG1-CD 3.48Å; L160-R164 HydrophobicContact CB-CB 4.31Å; T161-R164 WeakPolarHBondContact O-CA 3.48Å; T161-R164 WeakPolarHBondContact O-CB 3.45Å; T161-R164 PolarHBondContact O-N 3.43Å; T161-R164 WeakPolarHBondContact OG1-CG 3.37Å; E162-R164 VanDerWaalsContact C-N 3.28Å; E162-R164 PolarHBondContact O-N 2.92Å; R164-V167 PolarHBondContact O-N 3.39Å; R164-W168 WeakPolarHBondContact O-CB 3.18Å; R164-W168 PolarHBondContact O-N 3.44Å |
| 165 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.2 | -48.3 | 175.5 | 177.8 | 0 | 0 | 0 | 0 | 109.8 | L136 R151 L154 A155 L160 T161 E162 V167 W168 F169 | L136-V165 HydrophobicContact CD2-CG1 3.89Å; L136-V165 HydrophobicContact CD2-CG2 4.32Å; R151-V165 HydrophobicContact CB-CG1 4.19Å; R151-V165 HydrophobicContact CG-CG1 4.23Å; L154-V165 HydrophobicContact CB-CG1 4.14Å; L154-V165 HydrophobicContact CD1-CG1 4.2Å; A155-V165 HydrophobicContact CB-CG2 4.11Å; L160-V165 HydrophobicContact CB-CG2 4.37Å; T161-V165 PolarHBondContact O-N 3.26Å; E162-V165 CarbonylContact O-C 3.58Å; E162-V165 WeakPolarHBondContact O-CA 3.48Å; E162-V165 WeakPolarHBondContact O-CB 3.44Å; E162-V165 PolarHBondContact O-N 2.97Å; V165-V167 PolarHBondContact O-N 3.31Å; V165-W168 WeakPolarHBondContact O-CB 3.41Å; V165-W168 PolarHBondContact O-N 3.44Å; V165-W168 VanDerWaalsContact O-N 3.11Å; V165-F169 HydrophobicContact CG1-CD2 3.83Å; V165-F169 HydrophobicContact CG1-CE2 3.86Å; V165-F169 WeakPolarHBondContact O-CD2 3.24Å; V165-F169 PolarHBondContact O-N 2.9Å |
| 166 | Q | 98.3 | Very high | 97.5 | Very high | 74 Ų | 74 | 66 Ų | 66 | 35% | 0.346 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -55.2 | -50 | 176.4 | -169.8 | -164.9 | 0.2 | 0 | 0 | 111.9 | E162 W168 F169 Q170 | E162-Q166 WeakPolarHBondContact O-CB 3.35Å; E162-Q166 PolarHBondContact O-N 3.14Å; Q166-W168 VanDerWaalsContact C-N 3.31Å; Q166-W168 PolarHBondContact O-N 3.41Å; Q166-F169 PolarHBondContact O-N 3.05Å; Q166-Q170 WeakPolarHBondContact O-CG 3.47Å; Q166-Q170 PolarHBondContact O-N 3.45Å |
| 167 | V | 98.2 | Very high | 97.3 | Very high | 64 Ų | 64 | 65.2 Ų | 65.2 | 39% | 0.388 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.7 | -37.6 | 178 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | A163 R164 V165 Q170 N171 | A163-V167 WeakPolarHBondContact O-CB 3.4Å; A163-V167 VanDerWaalsContact O-CG2 3.23Å; A163-V167 WeakPolarHBondContact O-CG2 3.4Å; A163-V167 PolarHBondContact O-N 3.15Å; R164-V167 PolarHBondContact O-N 3.39Å; V165-V167 PolarHBondContact O-N 3.31Å; V167-Q170 PolarHBondContact O-N 3.14Å; V167-N171 WeakPolarHBondContact O-CB 3.45Å; V167-N171 PolarHBondContact O-N 2.95Å; V167-N171 PolarHBondContact O-ND2 3.36Å; V167-N171 VanDerWaalsContact O-ND2 3.14Å |
| 168 | W | 98.2 | Very high | 97.1 | Very high | 24 Ų | 24 | 68.4 Ų | 68.4 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.8 | -49 | 175.2 | -173.3 | 101.9 | 0 | 0 | 0 | 111.2 | F128 L133 L136 F140 R164 V165 Q166 Q170 N171 R172 | F128-W168 AromaticContact CD2-CD1 4Å; F128-W168 AromaticContact CE2-CD1 3.71Å; F128-W168 HydrophobicContact CZ-CB 4.22Å; F128-W168 AromaticContact CZ-CD1 3.78Å; F128-W168 HydrophobicContact CZ-CG 4.4Å; L133-W168 HydrophobicContact CD2-CZ2 4.24Å; L136-W168 HydrophobicContact CB-CD2 4.11Å; L136-W168 HydrophobicContact CB-CE3 3.96Å; L136-W168 HydrophobicContact CB-CH2 3.68Å; L136-W168 HydrophobicContact CB-CZ2 3.8Å; L136-W168 HydrophobicContact CB-CZ3 3.76Å; L136-W168 HydrophobicContact CD1-CD2 3.86Å; L136-W168 HydrophobicContact CD1-CE3 4.39Å; L136-W168 HydrophobicContact CD1-CG 3.9Å; L136-W168 HydrophobicContact CD2-CE3 4.49Å; L136-W168 HydrophobicContact CG-CD2 4.45Å; F140-W168 HydrophobicContact CB-CH2 4.48Å; F140-W168 HydrophobicContact CB-CZ3 4.33Å; F140-W168 HydrophobicContact CD2-CZ3 4.5Å; R164-W168 WeakPolarHBondContact O-CB 3.18Å; R164-W168 PolarHBondContact O-N 3.44Å; V165-W168 WeakPolarHBondContact O-CB 3.41Å; V165-W168 PolarHBondContact O-N 3.44Å; V165-W168 VanDerWaalsContact O-N 3.11Å; Q166-W168 VanDerWaalsContact C-N 3.31Å; Q166-W168 PolarHBondContact O-N 3.41Å; W168-Q170 PolarHBondContact O-N 3.27Å; W168-N171 PolarHBondContact O-N 3.33Å; W168-R172 HydrophobicContact CE3-CB 4.09Å; W168-R172 HydrophobicContact CH2-CB 4.21Å; W168-R172 HydrophobicContact CH2-CG 3.89Å; W168-R172 HydrophobicContact CZ3-CB 3.89Å; W168-R172 HydrophobicContact CZ3-CG 3.9Å; W168-R172 WeakPolarHBondContact O-CB 3.44Å; W168-R172 PolarHBondContact O-N 3.13Å |
| 169 | F | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 76.8 Ų | 76.8 | 0% | 0.004 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 178.1 | -89.1 | -90.4 | 0 | 0 | 0 | 112.3 | L136 V139 F140 P146 L154 V165 Q166 R172 R173 | L136-F169 HydrophobicContact CD2-CE2 3.93Å; V139-F169 HydrophobicContact CB-CZ 4.27Å; V139-F169 HydrophobicContact CG1-CZ 4.13Å; F140-F169 HydrophobicContact CB-CE1 4Å; F140-F169 AromaticContact CD2-CD1 3.79Å; F140-F169 HydrophobicContact CD2-CD1 3.79Å; F140-F169 AromaticContact CD2-CE1 3.77Å; F140-F169 HydrophobicContact CD2-CE1 3.77Å; F140-F169 HydrophobicContact CG-CE1 4.4Å; P146-F169 VanDerWaalsContact CD-CD1 3.43Å; P146-F169 HydrophobicContact CG-CD1 3.58Å; P146-F169 HydrophobicContact CG-CD2 4.01Å; P146-F169 HydrophobicContact CG-CE1 3.54Å; P146-F169 HydrophobicContact CG-CE2 3.98Å; P146-F169 HydrophobicContact CG-CG 3.84Å; P146-F169 HydrophobicContact CG-CZ 3.76Å; L154-F169 HydrophobicContact CD1-CE2 3.84Å; L154-F169 HydrophobicContact CD1-CZ 4.09Å; V165-F169 HydrophobicContact CG1-CD2 3.83Å; V165-F169 HydrophobicContact CG1-CE2 3.86Å; V165-F169 WeakPolarHBondContact O-CD2 3.24Å; V165-F169 PolarHBondContact O-N 2.9Å; Q166-F169 PolarHBondContact O-N 3.05Å; F169-R172 PolarHBondContact O-N 3.5Å; F169-R173 WeakPolarHBondContact O-CB 3.47Å; F169-R173 WeakPolarHBondContact O-CG 3.32Å; F169-R173 PolarHBondContact O-N 3.05Å |
| 170 | Q | 98.4 | Very high | 95.4 | Very high | 87 Ų | 87 | 75.8 Ų | 75.8 | 41% | 0.407 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.7 | -47.9 | 173.2 | -71.9 | 176.2 | 27 | 0 | 0 | 111.7 | Q166 V167 W168 R172 R173 A174 | Q166-Q170 WeakPolarHBondContact O-CG 3.47Å; Q166-Q170 PolarHBondContact O-N 3.45Å; V167-Q170 PolarHBondContact O-N 3.14Å; W168-Q170 PolarHBondContact O-N 3.27Å; Q170-R172 VanDerWaalsContact C-N 3.34Å; Q170-R172 PolarHBondContact O-N 3.21Å; Q170-R173 PolarHBondContact O-N 3.21Å; Q170-A174 WeakPolarHBondContact O-CB 3.23Å; Q170-A174 PolarHBondContact O-N 2.99Å |
| 171 | N | 97.9 | Very high | 94.1 | Very high | 92 Ų | 92 | 82.6 Ų | 82.6 | 49% | 0.492 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 178 | -75 | -35.8 | 0 | 0 | 0 | 112 | V167 W168 A174 K175 | V167-N171 WeakPolarHBondContact O-CB 3.45Å; V167-N171 PolarHBondContact O-N 2.95Å; V167-N171 PolarHBondContact O-ND2 3.36Å; V167-N171 VanDerWaalsContact O-ND2 3.14Å; W168-N171 PolarHBondContact O-N 3.33Å; N171-A174 PolarHBondContact O-N 3.37Å; N171-K175 WeakPolarHBondContact O-CG 3.2Å; N171-K175 PolarHBondContact O-N 3.34Å |
| 172 | R | 98 | Very high | 92.4 | Very high | 67 Ų | 67 | 84.3 Ų | 84.3 | 25% | 0.253 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63 | -49.4 | 177.5 | -174.4 | 67.8 | -171 | 172.8 | -0.4 | 110.9 | E137 F140 W168 F169 Q170 A174 K175 W176 | E137-R172 VanDerWaalsContact CD-CZ 3.48Å; E137-R172 IonicContact OE1-CZ 3.25Å; E137-R172 VanDerWaalsContact OE1-CZ 3.25Å; E137-R172 IonicContact OE1-NE 3.35Å; E137-R172 PolarHBondContact OE1-NE 3.09Å; E137-R172 IonicContact OE1-NH2 2.65Å; E137-R172 PolarHBondContact OE1-NH2 3.27Å; E137-R172 IonicContact OE2-CZ 2.93Å; E137-R172 IonicContact OE2-NE 2.92Å; E137-R172 PolarHBondContact OE2-NE 3.04Å; E137-R172 IonicContact OE2-NH1 3.5Å; E137-R172 IonicContact OE2-NH2 3.13Å; E137-R172 PolarHBondContact OE2-NH2 3.32Å; E137-R172 VanDerWaalsContact OE2-NH2 3.13Å; F140-R172 HydrophobicContact CD1-CG 3.89Å; F140-R172 HydrophobicContact CD2-CB 4.24Å; F140-R172 HydrophobicContact CD2-CG 3.52Å; F140-R172 HydrophobicContact CE1-CG 3.75Å; F140-R172 HydrophobicContact CE2-CB 3.98Å; F140-R172 HydrophobicContact CE2-CG 3.37Å; F140-R172 HydrophobicContact CG-CG 3.79Å; F140-R172 HydrophobicContact CZ-CB 4.42Å; F140-R172 HydrophobicContact CZ-CG 3.5Å; F140-R172 VanDerWaalsContact CZ-CG 3.5Å; W168-R172 HydrophobicContact CE3-CB 4.09Å; W168-R172 HydrophobicContact CH2-CB 4.21Å; W168-R172 HydrophobicContact CH2-CG 3.89Å; W168-R172 HydrophobicContact CZ3-CB 3.89Å; W168-R172 HydrophobicContact CZ3-CG 3.9Å; W168-R172 WeakPolarHBondContact O-CB 3.44Å; W168-R172 PolarHBondContact O-N 3.13Å; F169-R172 PolarHBondContact O-N 3.5Å; Q170-R172 VanDerWaalsContact C-N 3.34Å; Q170-R172 PolarHBondContact O-N 3.21Å; R172-A174 VanDerWaalsContact C-N 3.31Å; R172-A174 PolarHBondContact O-N 2.95Å; R172-K175 PolarHBondContact O-N 2.8Å; R172-W176 PolarHBondContact O-N 3.35Å |
| 173 | R | 97.8 | Very high | 90.6 | Very high | 44 Ų | 44 | 83.8 Ų | 83.8 | 17% | 0.166 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.3 | -37.8 | 174 | -72.3 | -164.3 | -62.6 | -87.1 | 3.8 | 112.9 | F140 H144 Y145 F169 Q170 W176 R177 | F140-R173 HydrophobicContact CE2-CG 3.89Å; F140-R173 HydrophobicContact CZ-CG 4.44Å; H144-R173 HydrophobicContact CB-CG 4.28Å; H144-R173 VanDerWaalsContact O-CD 3.24Å; H144-R173 WeakPolarHBondContact O-CD 3.38Å; H144-R173 PolarHBondContact O-NH1 3.47Å; Y145-R173 VanDerWaalsContact CE1-CD 3.48Å; Y145-R173 VanDerWaalsContact CE1-NE 3.28Å; F169-R173 WeakPolarHBondContact O-CB 3.47Å; F169-R173 WeakPolarHBondContact O-CG 3.32Å; F169-R173 PolarHBondContact O-N 3.05Å; Q170-R173 PolarHBondContact O-N 3.21Å; R173-W176 PolarHBondContact O-N 3.24Å; R173-R177 PolarHBondContact O-N 3.27Å |
| 174 | A | 97.2 | Very high | 88.7 | Confident | 40 Ų | 40 | 88.4 Ų | 88.4 | 33% | 0.331 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q170 N171 R172 K178 | Q170-A174 WeakPolarHBondContact O-CB 3.23Å; Q170-A174 PolarHBondContact O-N 2.99Å; N171-A174 PolarHBondContact O-N 3.37Å; R172-A174 VanDerWaalsContact C-N 3.31Å; R172-A174 PolarHBondContact O-N 2.95Å; A174-K178 WeakPolarHBondContact O-CB 3.47Å; A174-K178 PolarHBondContact O-N 2.94Å |
| 175 | K | 95.8 | Very high | 86.8 | Confident | 143 Ų | 143 | 87.9 Ų | 87.9 | 62% | 0.622 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.1 | -41.8 | 174.3 | -69.2 | 179 | -169.9 | 179.3 | 0 | 111.8 | N171 R172 K178 R179 | N171-K175 WeakPolarHBondContact O-CG 3.2Å; N171-K175 PolarHBondContact O-N 3.34Å; R172-K175 PolarHBondContact O-N 2.8Å; K175-K178 PolarHBondContact O-N 3.13Å; K175-R179 PolarHBondContact O-N 3.48Å |
| 176 | W | 94.5 | Very high | 84.8 | Confident | 118 Ų | 118 | 94.4 Ų | 94.4 | 45% | 0.447 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.9 | -52.8 | 177.8 | -177.6 | 90.2 | 0 | 0 | 0 | 111.4 | F140 R172 R173 K178 R179 E180 | F140-W176 HydrophobicContact CZ-CB 4.31Å; F140-W176 HydrophobicContact CZ-CG 4.46Å; R172-W176 PolarHBondContact O-N 3.35Å; R173-W176 PolarHBondContact O-N 3.24Å; W176-K178 VanDerWaalsContact C-N 3.26Å; W176-K178 PolarHBondContact O-N 3.33Å; W176-R179 WeakPolarHBondContact O-CB 3.38Å; W176-R179 PolarHBondContact O-N 3.02Å; W176-R179 VanDerWaalsContact O-N 3.14Å; W176-E180 PolarHBondContact O-N 3.46Å |
| 177 | R | 94.7 | Very high | 82.7 | Confident | 119 Ų | 119 | 97.2 Ų | 97.2 | 45% | 0.449 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.1 | -32.9 | 174.7 | -71.6 | -173.1 | -77.8 | 100.1 | -2.6 | 113 | R173 R181 | R173-R177 PolarHBondContact O-N 3.27Å; R177-R181 PolarHBondContact O-N 3.41Å |
| 178 | K | 91.1 | Very high | 80.7 | Confident | 114 Ų | 114 | 97.1 Ų | 97.1 | 50% | 0.496 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.9 | -39.2 | 177.4 | -169.8 | 174.1 | -177.3 | -180 | 0 | 111.4 | A174 K175 W176 E180 R181 Y182 | A174-K178 WeakPolarHBondContact O-CB 3.47Å; A174-K178 PolarHBondContact O-N 2.94Å; K175-K178 PolarHBondContact O-N 3.13Å; W176-K178 VanDerWaalsContact C-N 3.26Å; W176-K178 PolarHBondContact O-N 3.33Å; K178-E180 VanDerWaalsContact C-N 3.31Å; K178-E180 PolarHBondContact O-N 3.26Å; K178-R181 PolarHBondContact O-N 3.25Å; K178-Y182 HydrophobicContact CD-CD2 4.37Å; K178-Y182 HydrophobicContact CD-CE2 3.88Å; K178-Y182 WeakPolarHBondContact CE-OH 3.2Å; K178-Y182 HydrophobicContact CG-CD2 3.52Å; K178-Y182 HydrophobicContact CG-CE2 3.44Å; K178-Y182 VanDerWaalsContact CG-CE2 3.44Å; K178-Y182 VanDerWaalsContact O-CD2 3.24Å; K178-Y182 WeakPolarHBondContact O-CD2 3.24Å; K178-Y182 PolarHBondContact O-N 2.77Å |
| 179 | R | 86.3 | Confident | 78.5 | Confident | 184 Ų | 184 | 103.2 Ų | 103.2 | 69% | 0.694 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59.3 | -42.8 | 179 | -173.9 | 179.5 | -69.8 | 166.3 | -4.3 | 111.7 | K175 W176 R181 Y182 G183 | K175-R179 PolarHBondContact O-N 3.48Å; W176-R179 WeakPolarHBondContact O-CB 3.38Å; W176-R179 PolarHBondContact O-N 3.02Å; W176-R179 VanDerWaalsContact O-N 3.14Å; R179-R181 PolarHBondContact O-N 2.97Å; R179-Y182 PolarHBondContact O-N 3.33Å; R179-G183 PolarHBondContact O-N 3.27Å |
| 180 | E | 72.4 | Confident | 76.4 | Confident | 123 Ų | 123 | 106.9 Ų | 106.9 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.2 | -42.7 | 177.8 | -169.4 | 176.5 | -164.9 | 0 | 0 | 112.4 | W176 K178 | W176-E180 PolarHBondContact O-N 3.46Å; K178-E180 VanDerWaalsContact C-N 3.31Å; K178-E180 PolarHBondContact O-N 3.26Å |
| 181 | R | 68.6 | Low | 74.2 | Confident | 171 Ų | 171 | 109.3 Ų | 109.3 | 65% | 0.645 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -73 | -30 | 178.1 | -66.5 | -157.7 | -68.3 | -178.9 | -1.9 | 114.1 | R177 K178 R179 I185 | R177-R181 PolarHBondContact O-N 3.41Å; K178-R181 PolarHBondContact O-N 3.25Å; R179-R181 PolarHBondContact O-N 2.97Å; R181-I185 PolarHBondContact O-N 3.29Å |
| 182 | Y | 61.9 | Low | 72 | Confident | 118 Ų | 118 | 111.1 Ų | 111.1 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -76.9 | -24.6 | 179.6 | -88.3 | -106.7 | 0 | 0 | 0 | 113.2 | K178 R179 Q186 | K178-Y182 HydrophobicContact CD-CD2 4.37Å; K178-Y182 HydrophobicContact CD-CE2 3.88Å; K178-Y182 WeakPolarHBondContact CE-OH 3.2Å; K178-Y182 HydrophobicContact CG-CD2 3.52Å; K178-Y182 HydrophobicContact CG-CE2 3.44Å; K178-Y182 VanDerWaalsContact CG-CE2 3.44Å; K178-Y182 VanDerWaalsContact O-CD2 3.24Å; K178-Y182 WeakPolarHBondContact O-CD2 3.24Å; K178-Y182 PolarHBondContact O-N 2.77Å; R179-Y182 PolarHBondContact O-N 3.33Å; Y182-Q186 WeakPolarHBondContact O-CG 3.41Å; Y182-Q186 PolarHBondContact O-N 2.97Å |
| 183 | G | 60.1 | Low | 69.9 | Low | 38 Ų | 38 | 111 Ų | 111 | 39% | 0.392 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R179 Q187 | R179-G183 PolarHBondContact O-N 3.27Å; G183-Q187 PolarHBondContact O-N 3.01Å |
| 184 | Q | 58.6 | Low | 67.9 | Low | 136 Ų | 136 | 112.5 Ų | 112.5 | 64% | 0.636 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -71.9 | -36.7 | 178.4 | -68.4 | 179.8 | 20.6 | 0 | 0 | 113 | Q187 A188 | Q184-Q187 PolarHBondContact O-N 2.87Å; Q184-A188 PolarHBondContact O-N 3.06Å |
| 185 | I | 58.9 | Low | 65.8 | Low | 88 Ų | 88 | 115.3 Ų | 115.3 | 45% | 0.451 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -72.3 | -32.1 | 179 | -79 | 158.4 | 0 | 0 | 0 | 112.5 | R181 A188 K189 | R181-I185 PolarHBondContact O-N 3.29Å; I185-A188 PolarHBondContact O-N 2.94Å; I185-K189 PolarHBondContact O-N 2.78Å |
| 186 | Q | 55.8 | Low | 63.6 | Low | 137 Ų | 137 | 115.1 Ų | 115.1 | 64% | 0.64 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69 | -36.3 | 171.4 | -75.8 | -168.9 | -3 | 0 | 0 | 111.7 | Y182 K189 S190 | Y182-Q186 WeakPolarHBondContact O-CG 3.41Å; Y182-Q186 PolarHBondContact O-N 2.97Å; Q186-K189 PolarHBondContact O-N 3.48Å; Q186-S190 VanDerWaalsContact O-CB 3.26Å; Q186-S190 WeakPolarHBondContact O-CB 3.44Å; Q186-S190 PolarHBondContact O-N 3.32Å |
| 187 | Q | 54.2 | Low | 61.3 | Low | 134 Ų | 134 | 114 Ų | 114 | 63% | 0.626 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65 | -38.6 | 171.6 | -71.9 | -179.1 | -5.2 | 0 | 0 | 112.1 | G183 Q184 S190 H191 | G183-Q187 PolarHBondContact O-N 3.01Å; Q184-Q187 PolarHBondContact O-N 2.87Å; Q187-S190 CarbonylContact O-C 3.6Å; Q187-S190 PolarHBondContact O-N 2.65Å; Q187-H191 WeakPolarHBondContact O-CB 3.49Å; Q187-H191 PolarHBondContact O-N 2.79Å |
| 188 | A | 55.5 | Low | 59.1 | Low | 62 Ų | 62 | 115.4 Ų | 115.4 | 51% | 0.512 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.8 | -36.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q184 I185 H191 F192 | Q184-A188 PolarHBondContact O-N 3.06Å; I185-A188 PolarHBondContact O-N 2.94Å; A188-H191 PolarHBondContact O-N 2.94Å; A188-F192 WeakPolarHBondContact O-CB 3.26Å; A188-F192 PolarHBondContact O-N 3.36Å |
| 189 | K | 52.3 | Low | 57.2 | Low | 151 Ų | 151 | 115 Ų | 115 | 66% | 0.657 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.1 | -32.4 | 172 | -81 | -178.3 | 170.2 | -173.2 | 0 | 112.8 | I185 Q186 A193 | I185-K189 PolarHBondContact O-N 2.78Å; Q186-K189 PolarHBondContact O-N 3.48Å; K189-A193 VanDerWaalsContact O-CB 3.24Å; K189-A193 WeakPolarHBondContact O-CB 3.14Å; K189-A193 PolarHBondContact O-N 3.44Å |
| 190 | S | 54 | Low | 55.4 | Low | 79 Ų | 79 | 111.3 Ų | 111.3 | 55% | 0.552 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -72.7 | -34.5 | 173.4 | -160.8 | 0 | 0 | 0 | 0 | 111.5 | Q186 Q187 A194 | Q186-S190 VanDerWaalsContact O-CB 3.26Å; Q186-S190 WeakPolarHBondContact O-CB 3.44Å; Q186-S190 PolarHBondContact O-N 3.32Å; Q187-S190 CarbonylContact O-C 3.6Å; Q187-S190 PolarHBondContact O-N 2.65Å; S190-A194 WeakPolarHBondContact O-CB 3.38Å; S190-A194 PolarHBondContact O-N 3.42Å |
| 191 | H | 53.2 | Low | 54.4 | Low | 137 Ų | 137 | 111.6 Ų | 111.6 | 63% | 0.634 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.1 | -43.6 | 171.8 | -103.5 | -86.6 | 0 | 0 | 0 | 111.7 | Q187 A188 A194 T195 | Q187-H191 WeakPolarHBondContact O-CB 3.49Å; Q187-H191 PolarHBondContact O-N 2.79Å; A188-H191 PolarHBondContact O-N 2.94Å; H191-A194 PolarHBondContact O-N 3.36Å; H191-T195 WeakPolarHBondContact O-CG2 3.24Å; H191-T195 PolarHBondContact O-N 2.82Å; H191-T195 PolarHBondContact O-OG1 3.2Å |
| 192 | F | 51.4 | Low | 53.3 | Low | 130 Ų | 130 | 109.3 Ų | 109.3 | 57% | 0.57 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.1 | -48.2 | 173.8 | -170.6 | -92 | 0 | 0 | 0 | 110.4 | A188 A194 T195 Y196 | A188-F192 WeakPolarHBondContact O-CB 3.26Å; A188-F192 PolarHBondContact O-N 3.36Å; F192-A194 VanDerWaalsContact C-N 3.3Å; F192-A194 PolarHBondContact O-N 3.36Å; F192-T195 WeakPolarHBondContact CA-OG1 2.99Å; F192-T195 PolarHBondContact O-N 3.43Å; F192-T195 PolarHBondContact O-OG1 3.3Å; F192-Y196 AromaticContact CD1-CD2 3.75Å; F192-Y196 HydrophobicContact CD1-CD2 3.75Å; F192-Y196 AromaticContact CD1-CE2 3.54Å; F192-Y196 HydrophobicContact CD1-CE2 3.54Å; F192-Y196 HydrophobicContact CD2-CD2 4.45Å; F192-Y196 AromaticContact CD2-CE2 3.51Å; F192-Y196 HydrophobicContact CD2-CE2 3.51Å; F192-Y196 AromaticContact CE1-CD2 3.63Å; F192-Y196 HydrophobicContact CE1-CD2 3.63Å; F192-Y196 AromaticContact CE1-CE2 3.27Å; F192-Y196 HydrophobicContact CE1-CE2 3.27Å; F192-Y196 HydrophobicContact CE2-CD2 4.36Å; F192-Y196 AromaticContact CE2-CE2 3.25Å; F192-Y196 HydrophobicContact CE2-CE2 3.25Å; F192-Y196 AromaticContact CE2-CZ 3.68Å; F192-Y196 VanDerWaalsContact CE2-OH 3.27Å; F192-Y196 WeakPolarHBondContact CE2-OH 3.48Å; F192-Y196 HydrophobicContact CG-CD2 4.17Å; F192-Y196 AromaticContact CG-CE2 3.65Å; F192-Y196 HydrophobicContact CG-CE2 3.65Å; F192-Y196 AromaticContact CZ-CD2 3.95Å; F192-Y196 HydrophobicContact CZ-CD2 3.95Å; F192-Y196 AromaticContact CZ-CE2 3.12Å; F192-Y196 HydrophobicContact CZ-CE2 3.12Å; F192-Y196 AromaticContact CZ-CZ 3.63Å; F192-Y196 WeakPolarHBondContact O-CD2 3.39Å; F192-Y196 PolarHBondContact O-N 3.43Å; F192-Y196 VanDerWaalsContact O-N 3.13Å |
| 193 | A | 54.8 | Low | 52.5 | Low | 66 Ų | 66 | 114.7 Ų | 114.7 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.6 | -26.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K189 | K189-A193 VanDerWaalsContact O-CB 3.24Å; K189-A193 WeakPolarHBondContact O-CB 3.14Å; K189-A193 PolarHBondContact O-N 3.44Å |
| 194 | A | 54.6 | Low | 51.7 | Low | 75 Ų | 75 | 118.3 Ų | 118.3 | 62% | 0.62 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -81.8 | -25.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S190 H191 F192 | S190-A194 WeakPolarHBondContact O-CB 3.38Å; S190-A194 PolarHBondContact O-N 3.42Å; H191-A194 PolarHBondContact O-N 3.36Å; F192-A194 VanDerWaalsContact C-N 3.3Å; F192-A194 PolarHBondContact O-N 3.36Å |
| 195 | T | 54.2 | Low | 51.1 | Low | 98 Ų | 98 | 119.3 Ų | 119.3 | 60% | 0.601 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -79.7 | -24 | 174.5 | 48.9 | 0 | 0 | 0 | 0 | 113.3 | H191 F192 | H191-T195 WeakPolarHBondContact O-CG2 3.24Å; H191-T195 PolarHBondContact O-N 2.82Å; H191-T195 PolarHBondContact O-OG1 3.2Å; F192-T195 WeakPolarHBondContact CA-OG1 2.99Å; F192-T195 PolarHBondContact O-N 3.43Å; F192-T195 PolarHBondContact O-OG1 3.3Å |
| 196 | Y | 48.5 | Very low | 50.7 | Low | 139 Ų | 139 | 120.2 Ų | 120.2 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -99.1 | 88.2 | 163.8 | -50.5 | -78.1 | 0 | 0 | 0 | 108.2 | F192 L198 | F192-Y196 AromaticContact CD1-CD2 3.75Å; F192-Y196 HydrophobicContact CD1-CD2 3.75Å; F192-Y196 AromaticContact CD1-CE2 3.54Å; F192-Y196 HydrophobicContact CD1-CE2 3.54Å; F192-Y196 HydrophobicContact CD2-CD2 4.45Å; F192-Y196 AromaticContact CD2-CE2 3.51Å; F192-Y196 HydrophobicContact CD2-CE2 3.51Å; F192-Y196 AromaticContact CE1-CD2 3.63Å; F192-Y196 HydrophobicContact CE1-CD2 3.63Å; F192-Y196 AromaticContact CE1-CE2 3.27Å; F192-Y196 HydrophobicContact CE1-CE2 3.27Å; F192-Y196 HydrophobicContact CE2-CD2 4.36Å; F192-Y196 AromaticContact CE2-CE2 3.25Å; F192-Y196 HydrophobicContact CE2-CE2 3.25Å; F192-Y196 AromaticContact CE2-CZ 3.68Å; F192-Y196 VanDerWaalsContact CE2-OH 3.27Å; F192-Y196 WeakPolarHBondContact CE2-OH 3.48Å; F192-Y196 HydrophobicContact CG-CD2 4.17Å; F192-Y196 AromaticContact CG-CE2 3.65Å; F192-Y196 HydrophobicContact CG-CE2 3.65Å; F192-Y196 AromaticContact CZ-CD2 3.95Å; F192-Y196 HydrophobicContact CZ-CD2 3.95Å; F192-Y196 AromaticContact CZ-CE2 3.12Å; F192-Y196 HydrophobicContact CZ-CE2 3.12Å; F192-Y196 AromaticContact CZ-CZ 3.63Å; F192-Y196 WeakPolarHBondContact O-CD2 3.39Å; F192-Y196 PolarHBondContact O-N 3.43Å; F192-Y196 VanDerWaalsContact O-N 3.13Å; Y196-L198 PolarHBondContact O-N 3.08Å |
| 197 | D | 46.6 | Very low | 49.7 | Very low | 96 Ų | 96 | 123.2 Ų | 123.2 | 51% | 0.513 | 67% | 0.669 | S | S | . | * | trans | -55.9 | 84.9 | 163.5 | -177.2 | 13.8 | 0 | 0 | 0 | 110 | S199 V200 | D197-S199 PolarHBondContact O-N 3.21Å; D197-S199 WeakPolarHBondContact OD1-CA 3.4Å; D197-S199 WeakPolarHBondContact OD1-CB 3.19Å; D197-S199 PolarHBondContact OD1-N 2.86Å; D197-S199 VanDerWaalsContact OD1-N 3.07Å; D197-S199 PolarHBondContact OD1-OG 2.83Å; D197-V200 WeakPolarHBondContact OD2-CG2 3.39Å | ||
| 198 | L | 47.6 | Very low | 49.2 | Very low | 148 Ų | 148 | 122.4 Ų | 122.4 | 78% | 0.775 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 14.2 | 171 | -157.5 | 68.2 | 0 | 0 | 0 | 111 | Y196 L201 | Y196-L198 PolarHBondContact O-N 3.08Å; L198-L201 HydrophobicContact CD1-CD1 4.33Å |
| 199 | S | 51.1 | Low | 48.6 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -7.5 | 179.9 | -16 | 0 | 0 | 0 | 0 | 113.4 | D197 | D197-S199 PolarHBondContact O-N 3.21Å; D197-S199 WeakPolarHBondContact OD1-CA 3.4Å; D197-S199 WeakPolarHBondContact OD1-CB 3.19Å; D197-S199 PolarHBondContact OD1-N 2.86Å; D197-S199 VanDerWaalsContact OD1-N 3.07Å; D197-S199 PolarHBondContact OD1-OG 2.83Å |
| 200 | V | 49.4 | Very low | 48.3 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 66% | 0.655 | 69% | 0.693 | S | S | * | * | trans | -108.9 | 16.9 | -174.6 | -174.6 | 0 | 0 | 0 | 0 | 113.3 | D197 | D197-V200 WeakPolarHBondContact OD2-CG2 3.39Š| ||
| 201 | L | 51.4 | Low | 47.9 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 67% | 0.67 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -87.3 | 124.3 | 163.7 | -69.2 | 176.5 | 0 | 0 | 0 | 109.2 | L198 R203 | L198-L201 HydrophobicContact CD1-CD1 4.33Å; L201-R203 PolarHBondContact O-N 2.99Å |
| 202 | P | 46.2 | Very low | 47.7 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | trans | -54.3 | 112 | 173.5 | -22 | 31.6 | 0 | 0 | 0 | 109.2 | S204 | P202-S204 PolarHBondContact O-N 3.36Å; P202-S204 VanDerWaalsContact O-N 3.08Å | ||
| 203 | R | 43.3 | Very low | 47.6 | Very low | 232 Ų | 232 | 131 Ų | 131 | 88% | 0.875 | 72% | 0.72 | S | S | * | * | trans | -58.3 | 113 | 170.1 | -90.5 | -176.5 | 156.7 | 113.1 | -4 | 107.5 | L201 D205 | L201-R203 PolarHBondContact O-N 2.99Å; R203-D205 PolarHBondContact O-N 3.22Å; R203-D205 VanDerWaalsContact O-N 3.15Å | ||
| 204 | S | 44.9 | Very low | 46.9 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | -65.7 | 106.6 | 158.5 | 51.2 | 0 | 0 | 0 | 0 | 107.9 | P202 S206 | P202-S204 PolarHBondContact O-N 3.36Å; P202-S204 VanDerWaalsContact O-N 3.08Å; S204-S206 PolarHBondContact O-N 2.85Å | ||
| 205 | D | 44.3 | Very low | 46.3 | Very low | 157 Ų | 157 | 144 Ų | 144 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | trans | -60.1 | 98.8 | 167.1 | -82.4 | -54.6 | 0 | 0 | 0 | 109.9 | R203 | R203-D205 PolarHBondContact O-N 3.22Å; R203-D205 VanDerWaalsContact O-N 3.15Å | ||
| 206 | S | 51.1 | Low | 46.3 | Very low | 106 Ų | 106 | 145.7 Ų | 145.7 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | 171.8 | 82.5 | 150 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | S204 | S204-S206 PolarHBondContact O-N 2.85Š| ||
| 207 | Y | 36 | Very low | 45.6 | Very low | 201 Ų | 201 | 144.9 Ų | 144.9 | 79% | 0.788 | 78% | 0.778 | S | S | * | * | trans | -158.3 | 121.8 | 144.8 | -153.7 | -102.2 | 0 | 0 | 0 | 110.8 | I210 | Y207-I210 HydrophobicContact CE1-CD1 4.1Å; Y207-I210 HydrophobicContact CE1-CG1 4.29Å | ||
| 208 | T | 42.7 | Very low | 45.5 | Very low | 116 Ų | 116 | 145 Ų | 145 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 144.1 | 179.6 | 41.3 | 0 | 0 | 0 | 0 | 112.9 | I210 | T208-I210 PolarHBondContact O-N 2.94Š|
| 209 | Q | 42.9 | Very low | 45.1 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -47 | 121.5 | 176.5 | -66.9 | -179.6 | -14.2 | 0 | 0 | 112.9 | ||
| 210 | I | 45.5 | Very low | 44.9 | Very low | 136 Ų | 136 | 143.9 Ų | 143.9 | 70% | 0.697 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 116.2 | 163 | -58.5 | 170.2 | 0 | 0 | 0 | 107 | Y207 T208 N212 | Y207-I210 HydrophobicContact CE1-CD1 4.1Å; Y207-I210 HydrophobicContact CE1-CG1 4.29Å; T208-I210 PolarHBondContact O-N 2.94Å; I210-N212 PolarHBondContact O-N 3.13Å |
| 211 | P | 46.1 | Very low | 44.4 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 123.9 | 168.9 | 27.9 | -29.8 | 0 | 0 | 0 | 109.1 | N213 | P211-N213 PolarHBondContact O-N 2.92Å; P211-N213 VanDerWaalsContact O-N 3.1Å |
| 212 | N | 48.2 | Very low | 43.6 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -76.1 | 90.7 | -179.1 | -165.1 | 22.4 | 0 | 0 | 0 | 109.6 | I210 | I210-N212 PolarHBondContact O-N 3.13Š| ||
| 213 | N | 49.3 | Very low | 43.4 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | -149.7 | 91 | 169 | -81.4 | -36.7 | 0 | 0 | 0 | 110.9 | P211 | P211-N213 PolarHBondContact O-N 2.92Å; P211-N213 VanDerWaalsContact O-N 3.1Å | ||
| 214 | L | 40.8 | Very low | 43.6 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -127.4 | 71.9 | 170.2 | -80.2 | 146.8 | 0 | 0 | 0 | 110.2 | ||||
| 215 | W | 43 | Very low | 43.7 | Very low | 249 Ų | 249 | 136.4 Ų | 136.4 | 94% | 0.943 | 82% | 0.815 | S | S | * | * | trans | -120.6 | 112.6 | 148.5 | -72.1 | 75.1 | 0 | 0 | 0 | 105.6 | S217 | W215-S217 PolarHBondContact O-N 2.89Š| ||
| 216 | P | 53.3 | Low | 43.5 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -79.9 | 109.9 | -176.3 | 28.8 | -28.7 | 0 | 0 | 0 | 110 | ||||
| 217 | S | 34.8 | Very low | 42.9 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -87.8 | 128 | 155.9 | -172.9 | 0 | 0 | 0 | 0 | 108 | W215 | W215-S217 PolarHBondContact O-N 2.89Š| ||
| 218 | A | 43.9 | Very low | 43.7 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -72.9 | 134.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 219 | A | 37.8 | Very low | 44.1 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | -163.3 | 154.2 | 149.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 220 | P | 48.1 | Very low | 44.6 | Very low | 133 Ų | 133 | 130.6 Ų | 130.6 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -103.7 | 155.8 | -148.9 | 37.8 | -31.3 | 0 | 0 | 0 | 114.1 | ||||
| 221 | G | 38.5 | Very low | 44.8 | Very low | 84 Ų | 84 | 130.3 Ų | 130.3 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | 135.9 | 127.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 222 | G | 34.6 | Very low | 44.7 | Very low | 79 Ų | 79 | 136.9 Ų | 136.9 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | trans | 114.5 | 77.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 223 | S | 41.8 | Very low | 44.2 | Very low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | trans | -68.3 | 126 | 157.6 | 175.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 224 | V | 48 | Very low | 44.1 | Very low | 140 Ų | 140 | 131.4 Ų | 131.4 | 85% | 0.848 | 83% | 0.825 | S | S | * | * | trans | -140.1 | 123.8 | 147.8 | -70.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 225 | V | 47.4 | Very low | 45 | Very low | 130 Ų | 130 | 129 Ų | 129 | 79% | 0.788 | 82% | 0.82 | S | S | * | * | trans | -58.5 | 140.2 | 174.6 | -84.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 226 | S | 38.9 | Very low | 45.6 | Very low | 116 Ų | 116 | 123.2 Ų | 123.2 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | -176.9 | 130.1 | 126.9 | -95.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 227 | S | 39.5 | Very low | 45.3 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | trans | 55.5 | 103.5 | 150.7 | -75.8 | 0 | 0 | 0 | 0 | 121 | M229 | S227-M229 PolarHBondContact O-N 2.92Š| ||
| 228 | C | 52.8 | Low | 46 | Very low | 112 Ų | 112 | 123.3 Ų | 123.3 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | trans | -42.9 | 111.5 | 140.9 | 32.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 229 | M | 51.5 | Low | 45.8 | Very low | 165 Ų | 165 | 124.9 Ų | 124.9 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -137.4 | 110.7 | 151.6 | -73.3 | -61.8 | 152.3 | 0 | 0 | 109 | S227 | S227-M229 PolarHBondContact O-N 2.92Š| ||
| 230 | L | 53.2 | Low | 45.8 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | trans | -73.5 | 139.3 | 164.2 | -84.3 | 70.9 | 0 | 0 | 0 | 109 | ||||
| 231 | P | 49.9 | Very low | 45.3 | Very low | 131 Ų | 131 | 129 Ų | 129 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -98.5 | 110.7 | 147.3 | -9.9 | 28.5 | 0 | 0 | 0 | 109.5 | ||||
| 232 | R | 43.4 | Very low | 45 | Very low | 249 Ų | 249 | 130.9 Ų | 130.9 | 94% | 0.94 | 81% | 0.807 | S | S | * | * | trans | -77.6 | 121.3 | 166.6 | -172.7 | 177.5 | 171.5 | 178.1 | -2.2 | 107.7 | ||||
| 233 | G | 38.6 | Very low | 45.7 | Very low | 72 Ų | 72 | 135 Ų | 135 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | -171 | 96 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 234 | S | 45.9 | Very low | 45.6 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 153.9 | 171.4 | 36.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 235 | P | 59.5 | Low | 45.7 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 148.9 | -171.5 | 34.6 | -33.8 | 0 | 0 | 0 | 112.4 | ||
| 236 | P | 56.6 | Low | 45.2 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 116.6 | 160.2 | 30.5 | -27.6 | 0 | 0 | 0 | 109.9 | ||
| 237 | C | 47.3 | Very low | 45.2 | Very low | 113 Ų | 113 | 140 Ų | 140 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 128.6 | 158.6 | 47 | 0 | 0 | 0 | 0 | 109.7 | ||
| 238 | V | 49.1 | Very low | 45.1 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | -177.1 | 113.4 | 132.8 | -88.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 239 | T | 40.2 | Very low | 44.3 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -90.9 | 124.6 | 168.3 | -47.5 | 0 | 0 | 0 | 0 | 108 | Y241 | T239-Y241 PolarHBondContact O-N 3.45Š| ||
| 240 | S | 36.1 | Very low | 43.6 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -63.1 | 115 | 174.5 | -56 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 241 | Y | 38.7 | Very low | 42.6 | Very low | 202 Ų | 202 | 134.3 Ų | 134.3 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | trans | -85.1 | 120.7 | 157.7 | -91.7 | -89.4 | 0 | 0 | 0 | 108.7 | T239 | T239-Y241 PolarHBondContact O-N 3.45Š| ||
| 242 | S | 32.7 | Very low | 41.9 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -78.4 | 115.7 | 164.4 | -74.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 243 | H | 47.6 | Very low | 41.4 | Very low | 167 Ų | 167 | 127.4 Ų | 127.4 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 123.7 | 164.8 | -72.5 | -81.2 | 0 | 0 | 0 | 109.2 | ||
| 244 | N | 41.3 | Very low | 41.2 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 81% | 0.807 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -79 | 132.5 | 170.3 | -164.9 | 54.3 | 0 | 0 | 0 | 109.2 | ||
| 245 | P | 49.9 | Very low | 40.6 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 120.8 | 176.9 | 32.4 | -27.6 | 0 | 0 | 0 | 109.5 | ||
| 246 | R | 36.1 | Very low | 39.5 | Very low | 244 Ų | 244 | 132.5 Ų | 132.5 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 120.2 | 163.7 | -169.6 | 169.5 | 177.6 | 172.5 | -2.1 | 108.7 | ||
| 247 | A | 40.1 | Very low | 38.3 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 142.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 248 | A | 36.4 | Very low | 37.7 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 128.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 249 | A | 36.6 | Very low | 37.2 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | -156.2 | 115.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 250 | A | 35.9 | Very low | 36.9 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | 52.7 | 101.1 | 147.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 251 | S | 33 | Very low | 36.7 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -82.1 | 121 | 146.8 | 51.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 252 | T | 34.6 | Very low | 36.3 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | trans | -171.4 | 121.9 | 144.9 | 12.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 253 | A | 33 | Very low | 36.2 | Very low | 100 Ų | 100 | 129.2 Ų | 129.2 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | trans | 42.3 | 124.9 | 146.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 254 | A | 35.4 | Very low | 35.8 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | 179.5 | 160.8 | 120.6 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 255 | D | 32.2 | Very low | 35.6 | Very low | 130 Ų | 130 | 132 Ų | 132 | 70% | 0.695 | 82% | 0.822 | S | S | * | * | trans | -105.1 | 172.6 | -153.4 | -153.4 | -29.9 | 0 | 0 | 0 | 112.7 | ||||
| 256 | H | 36.6 | Very low | 34.8 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | 74.6 | 103.5 | 157.6 | -60.7 | -61.7 | 0 | 0 | 0 | 123 | ||||
| 257 | G | 30.9 | Very low | 34.9 | Very low | 81 Ų | 81 | 128.5 Ų | 128.5 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | 56.7 | 121.7 | 111.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 258 | Y | 35.3 | Very low | 34.6 | Very low | 225 Ų | 225 | 133.8 Ų | 133.8 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | -165 | 143.5 | 135.3 | -163.9 | -106.5 | 0 | 0 | 0 | 112 | ||||
| 259 | V | 38.8 | Very low | 34.5 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 74% | 0.739 | 81% | 0.813 | S | S | * | * | trans | -87.9 | 151.8 | -176.7 | -87.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 260 | G | 32.9 | Very low | 34.4 | Very low | 82 Ų | 82 | 136.2 Ų | 136.2 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -167.2 | 112.1 | 169 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 261 | F | 32 | Very low | 34.3 | Very low | 207 Ų | 207 | 138.6 Ų | 138.6 | 91% | 0.908 | 82% | 0.818 | S | S | * | * | trans | -102 | 139.2 | -172.5 | -171.2 | -85.9 | 0 | 0 | 0 | 111.5 | ||||
| 262 | A | 31.4 | Very low | 34.2 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | 174.5 | 142.5 | 150 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 263 | G | 30.7 | Very low | 34.9 | Very low | 67 Ų | 67 | 139.3 Ų | 139.3 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | cis | 172.4 | 142.3 | 9.6 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 264 | Q | 39.2 | Very low | 35 | Very low | 194 Ų | 194 | 141.8 Ų | 141.8 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | -59.4 | 131.1 | -179.3 | -71.1 | -94.7 | 6.1 | 0 | 0 | 112.8 | ||||
| 265 | Q | 35.7 | Very low | 34.8 | Very low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -164.2 | 118.1 | 141.3 | -154.1 | 153.4 | 1.8 | 0 | 0 | 114.3 | ||||
| 266 | N | 34.4 | Very low | 35.3 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | 26 | 111.7 | 150.1 | -78.3 | -17.5 | 0 | 0 | 0 | 122.3 | ||||
| 267 | Q | 37.1 | Very low | 35.2 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | 13.1 | 114.9 | 123 | -65 | 177.1 | 80.5 | 0 | 0 | 117.6 | |||||
| 268 | F | 33.5 | Very low | 35.1 | Very low | 203 Ų | 203 | 146 Ų | 146 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | -178.1 | 122.7 | 102.9 | -90.6 | -73.3 | 0 | 0 | 0 | 110.4 | |||||
| 269 | G | 35 | Very low | 35.2 | Very low | 77 Ų | 77 | 139.6 Ų | 139.6 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | 87.6 | 82.6 | 144.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 270 | H | 33.8 | Very low | 35 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -155.9 | 102.6 | 137.5 | -149.4 | -100.1 | 0 | 0 | 0 | 110.7 | S272 | H270-S272 PolarHBondContact O-N 3.03Å; H270-S272 VanDerWaalsContact O-N 3.13Å | ||
| 271 | V | 35.8 | Very low | 34.9 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 90% | 0.903 | 80% | 0.8 | S | S | * | * | trans | -79.5 | 89.6 | 170 | -78.3 | 0 | 0 | 0 | 0 | 109.2 | L273 | V271-L273 PolarHBondContact O-N 3.04Š| ||
| 272 | S | 30.9 | Very low | 35.5 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | trans | -76.2 | 116.1 | 162.3 | -82.7 | 0 | 0 | 0 | 0 | 109.2 | H270 N274 | H270-S272 PolarHBondContact O-N 3.03Å; H270-S272 VanDerWaalsContact O-N 3.13Å; S272-N274 PolarHBondContact O-N 3.06Å; S272-N274 VanDerWaalsContact O-N 3.13Å | ||
| 273 | L | 48.7 | Very low | 35.8 | Very low | 169 Ų | 169 | 143 Ų | 143 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | -62.4 | 104.5 | 163.9 | -77.1 | 159.8 | 0 | 0 | 0 | 108.6 | V271 | V271-L273 PolarHBondContact O-N 3.04Š| ||
| 274 | N | 34.5 | Very low | 36.3 | Very low | 152 Ų | 152 | 146.6 Ų | 146.6 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -179.1 | 102 | 148.9 | -97.1 | -2.1 | 0 | 0 | 0 | 109.7 | S272 | S272-N274 PolarHBondContact O-N 3.06Å; S272-N274 VanDerWaalsContact O-N 3.13Å | ||
| 275 | N | 30.8 | Very low | 36.2 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | -173.6 | 104.4 | 127.7 | -114.9 | 23.8 | 0 | 0 | 0 | 109.5 | |||||
| 276 | F | 43.2 | Very low | 36.4 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -90.8 | 139.7 | 153.5 | -135.1 | -105.1 | 0 | 0 | 0 | 105.4 | ||||
| 277 | F | 33.9 | Very low | 36.5 | Very low | 186 Ų | 186 | 138.8 Ų | 138.8 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | trans | 103.5 | 127.5 | 174.1 | -61.7 | -76.5 | 0 | 0 | 0 | 118.2 | ||||
| 278 | G | 30.1 | Very low | 36.4 | Very low | 70 Ų | 70 | 138.8 Ų | 138.8 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | 99 | 99.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 279 | A | 36.7 | Very low | 36.6 | Very low | 91 Ų | 91 | 132.5 Ų | 132.5 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | 87.3 | 128.8 | 75.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 280 | D | 34.2 | Very low | 36.9 | Very low | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | 84.3 | 142.3 | 157.6 | -63.8 | -56.9 | 0 | 0 | 0 | 123.2 | ||||
| 281 | S | 32.2 | Very low | 37.5 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | 87.3 | 94.4 | 165.4 | -56.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 282 | L | 43.3 | Very low | 38 | Very low | 160 Ų | 160 | 133 Ų | 133 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | 45 | 111 | 74.1 | -59.3 | 179.6 | 0 | 0 | 0 | 112 | |||||
| 283 | L | 38.4 | Very low | 38.4 | Very low | 164 Ų | 164 | 137.8 Ų | 137.8 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | 163.9 | 109.8 | 130.1 | -84.3 | 172.2 | 0 | 0 | 0 | 108.9 | ||||
| 284 | T | 40.2 | Very low | 38.2 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | trans | 168.7 | 152.5 | 131 | 35.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 285 | P | 37.6 | Very low | 38.7 | Very low | 127 Ų | 127 | 136 Ų | 136 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -92.9 | 164.6 | -143 | 36.2 | -35 | 0 | 0 | 0 | 115.1 | ||||
| 286 | A | 39.6 | Very low | 39.4 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | -68.8 | 148.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 287 | T | 37.6 | Very low | 39.6 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | trans | -145.6 | 123.1 | 137.5 | 56.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 288 | N | 35.8 | Very low | 40.2 | Very low | 156 Ų | 156 | 133.1 Ų | 133.1 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | 75.6 | 89.3 | 145 | -58 | -17.1 | 0 | 0 | 0 | 120.9 | ||||
| 289 | G | 36.7 | Very low | 41.1 | Very low | 72 Ų | 72 | 138.1 Ų | 138.1 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | 55.9 | 110.1 | 114.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 290 | H | 42 | Very low | 41.7 | Very low | 192 Ų | 192 | 140.5 Ų | 140.5 | 89% | 0.889 | 80% | 0.796 | S | S | * | * | trans | -168.8 | 160.5 | 130.4 | -118.6 | -100.8 | 0 | 0 | 0 | 110.2 | ||||
| 291 | P | 46.2 | Very low | 42.3 | Very low | 113 Ų | 113 | 143.1 Ų | 143.1 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -87.8 | 165.1 | -145.9 | 36.1 | -37.3 | 0 | 0 | 0 | 115.5 | ||||
| 292 | A | 46.2 | Very low | 43.2 | Very low | 105 Ų | 105 | 148.2 Ų | 148.2 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -45.3 | 126.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 293 | F | 38.3 | Very low | 43.7 | Very low | 196 Ų | 196 | 143.3 Ų | 143.3 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -129.6 | 119.8 | 147.9 | -170.7 | -97 | 0 | 0 | 0 | 106.4 | A295 | F293-A295 PolarHBondContact O-N 3.31Š| ||
| 294 | E | 45.5 | Very low | 45 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | -53.5 | 98.4 | -175.6 | -80 | 178 | 121.2 | 0 | 0 | 111.9 | K296 | E294-K296 PolarHBondContact O-N 3.45Š| ||
| 295 | A | 43.6 | Very low | 47 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | -79.3 | 98.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | F293 | F293-A295 PolarHBondContact O-N 3.31Š| ||
| 296 | K | 46 | Very low | 49.1 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | trans | -49.3 | 134 | 165.6 | -152.1 | 165.3 | -176.6 | 168.7 | 0 | 109.1 | E294 E298 | E294-K296 PolarHBondContact O-N 3.45Å; K296-E298 PolarHBondContact O-N 3.43Å | ||
| 297 | P | 48 | Very low | 50.9 | Low | 103 Ų | 103 | 132.8 Ų | 132.8 | 67% | 0.669 | 71% | 0.714 | S | S | * | * | trans | -59.9 | 133.9 | -163.1 | 20.3 | -32.1 | 0 | 0 | 0 | 112.9 | F299 | P297-F299 PolarHBondContact O-N 2.53Š| ||
| 298 | E | 47.2 | Very low | 53.4 | Low | 170 Ų | 170 | 130.5 Ų | 130.5 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -58.6 | 2.3 | -178.2 | -73 | -179 | 124.7 | 0 | 0 | 115.8 | K296 E300 R301 | K296-E298 PolarHBondContact O-N 3.43Å; E298-E300 VanDerWaalsContact C-N 3.29Å; E298-E300 PolarHBondContact O-N 2.92Å; E298-R301 PolarHBondContact O-N 3.07Å |
| 299 | F | 48.5 | Very low | 55.9 | Low | 175 Ų | 175 | 127.6 Ų | 127.6 | 77% | 0.768 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -65.5 | -28.7 | -179.7 | -165.6 | -101.1 | 0 | 0 | 0 | 112.9 | P297 R301 | P297-F299 PolarHBondContact O-N 2.53Å; F299-R301 VanDerWaalsContact C-N 3.34Å; F299-R301 PolarHBondContact O-N 2.76Å |
| 300 | E | 48 | Very low | 58.4 | Low | 140 Ų | 140 | 132.3 Ų | 132.3 | 65% | 0.654 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -76.7 | -14.5 | 179.9 | -87.5 | 179.4 | 145.3 | 0 | 0 | 114.6 | E298 R302 S303 | E298-E300 VanDerWaalsContact C-N 3.29Å; E298-E300 PolarHBondContact O-N 2.92Å; E300-R302 VanDerWaalsContact C-N 3.26Å; E300-R302 PolarHBondContact O-N 3.23Å; E300-S303 PolarHBondContact O-OG 3.33Å |
| 301 | R | 47.8 | Very low | 60.6 | Low | 210 Ų | 210 | 128.3 Ų | 128.3 | 79% | 0.792 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -77.3 | -17.1 | 179.3 | -158.5 | 176 | -65.9 | -89.4 | 1 | 112.4 | E298 F299 | E298-R301 PolarHBondContact O-N 3.07Å; F299-R301 VanDerWaalsContact C-N 3.34Å; F299-R301 PolarHBondContact O-N 2.76Å |
| 302 | R | 50.7 | Low | 62.6 | Low | 212 Ų | 212 | 129.4 Ų | 129.4 | 80% | 0.8 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -98.1 | -8.4 | -179.7 | -66.1 | -177.2 | 175.8 | -156.6 | -0.1 | 113.9 | E300 S304 | E300-R302 VanDerWaalsContact C-N 3.26Å; E300-R302 PolarHBondContact O-N 3.23Å; R302-S304 VanDerWaalsContact C-N 3.29Å; R302-S304 PolarHBondContact O-N 2.96Å |
| 303 | S | 54.7 | Low | 64.4 | Low | 56 Ų | 56 | 127.3 Ų | 127.3 | 39% | 0.392 | 64% | 0.638 | S | S | . | * | trans | -82.2 | -1 | 179.2 | 50 | 0 | 0 | 0 | 0 | 114 | E300 S305 V308 | E300-S303 PolarHBondContact O-OG 3.33Å; S303-S305 PolarHBondContact O-N 3.22Å; S303-V308 WeakPolarHBondContact O-CB 3.44Å; S303-V308 WeakPolarHBondContact O-CG1 3.49Å | ||
| 304 | S | 64.4 | Low | 66.6 | Low | 83 Ų | 83 | 125.1 Ų | 125.1 | 58% | 0.58 | 63% | 0.628 | S | S | * | * | trans | -75.9 | 39 | 172.9 | 66.1 | 0 | 0 | 0 | 0 | 113.3 | R302 | R302-S304 VanDerWaalsContact C-N 3.29Å; R302-S304 PolarHBondContact O-N 2.96Å | ||
| 305 | S | 82.9 | Confident | 68.1 | Low | 59 Ų | 59 | 121.9 Ų | 121.9 | 41% | 0.413 | 61% | 0.613 | S | S | . | * | trans | -66 | 139.4 | 169.7 | 174.7 | 0 | 0 | 0 | 0 | 109.1 | S303 A307 V308 L309 | S303-S305 PolarHBondContact O-N 3.22Å; S305-A307 PolarHBondContact O-N 3.01Å; S305-A307 PolarHBondContact OG-N 3.29Å; S305-V308 WeakPolarHBondContact O-CB 3.27Å; S305-V308 PolarHBondContact O-N 3.44Å; S305-L309 PolarHBondContact O-N 2.9Å | ||
| 306 | I | 80.6 | Confident | 69.7 | Low | 109 Ų | 109 | 123.2 Ų | 123.2 | 56% | 0.559 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -53.1 | -29.7 | 176.5 | -168.3 | 66.8 | 0 | 0 | 0 | 112 | R310 | I306-R310 WeakPolarHBondContact O-CB 3.01Å; I306-R310 WeakPolarHBondContact O-CG 3.34Å; I306-R310 PolarHBondContact O-N 3.21Å |
| 307 | A | 79 | Confident | 71 | Confident | 55 Ų | 55 | 117.9 Ų | 117.9 | 46% | 0.455 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.1 | -45.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | S305 R310 M311 | S305-A307 PolarHBondContact O-N 3.01Å; S305-A307 PolarHBondContact OG-N 3.29Å; A307-R310 PolarHBondContact O-N 3.1Å; A307-M311 WeakPolarHBondContact O-CG 3.38Å; A307-M311 PolarHBondContact O-N 2.96Å |
| 308 | V | 89.9 | Confident | 72 | Confident | 76 Ų | 76 | 115.2 Ų | 115.2 | 46% | 0.461 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.3 | -43 | 177.7 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | S303 S305 R310 M311 K312 | S303-V308 WeakPolarHBondContact O-CB 3.44Å; S303-V308 WeakPolarHBondContact O-CG1 3.49Å; S305-V308 WeakPolarHBondContact O-CB 3.27Å; S305-V308 PolarHBondContact O-N 3.44Å; V308-R310 VanDerWaalsContact C-N 3.35Å; V308-R310 PolarHBondContact O-N 3.43Å; V308-M311 PolarHBondContact O-N 2.94Å; V308-K312 WeakPolarHBondContact O-CB 3.43Å; V308-K312 PolarHBondContact O-N 3.17Å |
| 309 | L | 88.6 | Confident | 73 | Confident | 96 Ų | 96 | 112.8 Ų | 112.8 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.1 | -39.5 | 176.6 | -66.9 | 174.1 | 0 | 0 | 0 | 112.4 | S305 A313 | S305-L309 PolarHBondContact O-N 2.9Å; L309-A313 WeakPolarHBondContact O-CB 3.12Å; L309-A313 PolarHBondContact O-N 3.04Å |
| 310 | R | 89.1 | Confident | 74.1 | Confident | 170 Ų | 170 | 108.9 Ų | 108.9 | 64% | 0.642 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.1 | -39.1 | 176.3 | -76.4 | 172.2 | 176.1 | -176.4 | -0 | 112.7 | I306 A307 V308 K314 | I306-R310 WeakPolarHBondContact O-CB 3.01Å; I306-R310 WeakPolarHBondContact O-CG 3.34Å; I306-R310 PolarHBondContact O-N 3.21Å; A307-R310 PolarHBondContact O-N 3.1Å; V308-R310 VanDerWaalsContact C-N 3.35Å; V308-R310 PolarHBondContact O-N 3.43Å; R310-K314 PolarHBondContact O-N 3.48Å |
| 311 | M | 86.9 | Confident | 74.8 | Confident | 108 Ų | 108 | 106.4 Ų | 106.4 | 53% | 0.532 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.2 | -48.8 | 174 | -72.3 | -79.4 | 101.2 | 0 | 0 | 110.8 | A307 V308 A313 K314 E315 | A307-M311 WeakPolarHBondContact O-CG 3.38Å; A307-M311 PolarHBondContact O-N 2.96Å; V308-M311 PolarHBondContact O-N 2.94Å; M311-A313 VanDerWaalsContact C-N 3.29Å; M311-A313 PolarHBondContact O-N 3.37Å; M311-K314 HydrophobicContact CE-CD 4.15Å; M311-K314 WeakPolarHBondContact O-CB 3.36Å; M311-K314 PolarHBondContact O-N 3.04Å; M311-E315 PolarHBondContact O-N 2.96Å |
| 312 | K | 89.8 | Confident | 74.9 | Confident | 136 Ų | 136 | 107 Ų | 107 | 59% | 0.591 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.1 | -35.4 | 178.5 | -169.8 | 165 | -177.1 | 157.9 | 0 | 113.1 | V308 E315 H316 | V308-K312 WeakPolarHBondContact O-CB 3.43Å; V308-K312 PolarHBondContact O-N 3.17Å; K312-E315 PolarHBondContact O-N 3.37Å; K312-H316 WeakPolarHBondContact O-CB 3.46Å; K312-H316 PolarHBondContact O-N 3.01Å |
| 313 | A | 83.9 | Confident | 75.1 | Confident | 61 Ų | 61 | 101 Ų | 101 | 50% | 0.504 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.9 | -37.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L309 M311 H316 A317 | L309-A313 WeakPolarHBondContact O-CB 3.12Å; L309-A313 PolarHBondContact O-N 3.04Å; M311-A313 VanDerWaalsContact C-N 3.29Å; M311-A313 PolarHBondContact O-N 3.37Å; A313-H316 PolarHBondContact O-N 3.24Å; A313-A317 PolarHBondContact O-N 3.38Å |
| 314 | K | 83.6 | Confident | 74.7 | Confident | 151 Ų | 151 | 108.9 Ų | 108.9 | 66% | 0.657 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.9 | -41.6 | 173.8 | -94.4 | -177.9 | 161.7 | -168.9 | 0 | 111.9 | R310 M311 A317 A318 | R310-K314 PolarHBondContact O-N 3.48Å; M311-K314 HydrophobicContact CE-CD 4.15Å; M311-K314 WeakPolarHBondContact O-CB 3.36Å; M311-K314 PolarHBondContact O-N 3.04Å; K314-A317 PolarHBondContact O-N 3.03Å; K314-A318 PolarHBondContact O-N 3.27Å |
| 315 | E | 76.6 | Confident | 75.2 | Confident | 121 Ų | 121 | 110.2 Ų | 110.2 | 57% | 0.565 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.9 | -43.9 | 174.6 | -68.8 | 170.6 | 176.8 | 0 | 0 | 111.4 | M311 K312 A317 A318 N319 | M311-E315 PolarHBondContact O-N 2.96Å; K312-E315 PolarHBondContact O-N 3.37Å; E315-A317 VanDerWaalsContact C-N 3.29Å; E315-A317 PolarHBondContact O-N 3.37Å; E315-A318 PolarHBondContact O-N 3.33Å; E315-N319 PolarHBondContact O-N 3.29Å; E315-N319 PolarHBondContact O-OD1 3.13Å |
| 316 | H | 77.3 | Confident | 74.8 | Confident | 123 Ų | 123 | 112.8 Ų | 112.8 | 57% | 0.569 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.4 | -36 | 178 | -146.1 | -73.1 | 0 | 0 | 0 | 112.4 | K312 A313 I320 | K312-H316 WeakPolarHBondContact O-CB 3.46Å; K312-H316 PolarHBondContact O-N 3.01Å; A313-H316 PolarHBondContact O-N 3.24Å; H316-I320 WeakPolarHBondContact O-CD1 3.3Å; H316-I320 VanDerWaalsContact O-CG1 3.3Å; H316-I320 WeakPolarHBondContact O-CG1 3.41Å; H316-I320 PolarHBondContact O-N 3.29Å |
| 317 | A | 74.3 | Confident | 74.5 | Confident | 62 Ų | 62 | 113.1 Ų | 113.1 | 51% | 0.512 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.7 | -39.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A313 K314 E315 S321 | A313-A317 PolarHBondContact O-N 3.38Å; K314-A317 PolarHBondContact O-N 3.03Å; E315-A317 VanDerWaalsContact C-N 3.29Å; E315-A317 PolarHBondContact O-N 3.37Å; A317-S321 PolarHBondContact O-N 3.48Å |
| 318 | A | 68.6 | Low | 74.2 | Confident | 47 Ų | 47 | 116.5 Ų | 116.5 | 39% | 0.388 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.7 | -42.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K314 E315 I320 S321 W322 | K314-A318 PolarHBondContact O-N 3.27Å; E315-A318 PolarHBondContact O-N 3.33Å; A318-I320 VanDerWaalsContact C-N 3.32Å; A318-I320 PolarHBondContact O-N 3.05Å; A318-S321 WeakPolarHBondContact O-CB 3.39Å; A318-S321 PolarHBondContact O-N 3.3Å; A318-S321 VanDerWaalsContact O-N 3.13Å; A318-W322 PolarHBondContact O-N 3.08Å |
| 319 | N | 67.6 | Low | 73.2 | Confident | 119 Ų | 119 | 119 Ų | 119 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.7 | -32.8 | -179.8 | -75.2 | 10.3 | 0 | 0 | 0 | 113.3 | E315 S321 | E315-N319 PolarHBondContact O-N 3.29Å; E315-N319 PolarHBondContact O-OD1 3.13Å; N319-S321 VanDerWaalsContact C-N 3.34Å |
| 320 | I | 70.9 | Confident | 72.2 | Confident | 92 Ų | 92 | 120.5 Ų | 120.5 | 47% | 0.472 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -70.1 | -34.1 | 174.8 | -66.8 | 164.3 | 0 | 0 | 0 | 110.9 | H316 A318 W322 A323 | H316-I320 WeakPolarHBondContact O-CD1 3.3Å; H316-I320 VanDerWaalsContact O-CG1 3.3Å; H316-I320 WeakPolarHBondContact O-CG1 3.41Å; H316-I320 PolarHBondContact O-N 3.29Å; A318-I320 VanDerWaalsContact C-N 3.32Å; A318-I320 PolarHBondContact O-N 3.05Å; I320-W322 PolarHBondContact O-N 3.15Å; I320-A323 PolarHBondContact O-N 3.29Å |
| 321 | S | 62.7 | Low | 71 | Confident | 88 Ų | 88 | 117 Ų | 117 | 62% | 0.615 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68 | -17.9 | 179.5 | -175.5 | 0 | 0 | 0 | 0 | 114.4 | A317 A318 N319 | A317-S321 PolarHBondContact O-N 3.48Å; A318-S321 WeakPolarHBondContact O-CB 3.39Å; A318-S321 PolarHBondContact O-N 3.3Å; A318-S321 VanDerWaalsContact O-N 3.13Å; N319-S321 VanDerWaalsContact C-N 3.34Å |
| 322 | W | 50.2 | Low | 69.8 | Low | 224 Ų | 224 | 117.7 Ų | 117.7 | 85% | 0.848 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -6.7 | 176.8 | -73.4 | 101.3 | 0 | 0 | 0 | 113.4 | A318 I320 | A318-W322 PolarHBondContact O-N 3.08Å; I320-W322 PolarHBondContact O-N 3.15Å |
| 323 | A | 54.8 | Low | 68.1 | Low | 86 Ų | 86 | 116.2 Ų | 116.2 | 71% | 0.711 | 63% | 0.63 | S | S | * | * | trans | -100.9 | 5.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I320 | I320-A323 PolarHBondContact O-N 3.29Š| ||
| 324 | M | 46.9 | Very low | 66.7 | Low | 220 Ų | 220 | 121.2 Ų | 121.2 | 100% | 1.084 | 64% | 0.642 | S | S | * | * | trans | -116.9 | 0 | 168.2 | -71.2 | -177.4 | -164.4 | 0 | 0 | 109.3 |
Retrieved 324 of 324 residues in 377.5 ms
(Link to these results)