| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.4 | Low | 58.5 | Low | 195 Ų | 195 | 125.7 Ų | 125.7 | 96% | 0.961 | 63% | 0.627 | S | S | * | * | 0 | -59.5 | 0 | -77.4 | -166.5 | -177.7 | 0 | 0 | 112.8 | E3 F4 M5 | M1-E3 PolarHBondContact O-N 2.75Å; M1-F4 WeakPolarHBondContact O-CB 3.29Å; M1-F4 PolarHBondContact O-N 2.6Å; M1-M5 PolarHBondContact O-N 2.86Å; M1-M5 VanDerWaalsContact O-N 3.11Å | |||
| 2 | Y | 48.6 | Very low | 59.2 | Low | 205 Ų | 205 | 126.1 Ų | 126.1 | 80% | 0.804 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -50.6 | -45.7 | -171.5 | -77 | -79.1 | 0 | 0 | 0 | 115.5 | F4 M5 A6 | Y2-F4 VanDerWaalsContact C-N 3.31Å; Y2-F4 PolarHBondContact O-N 2.79Å; Y2-M5 PolarHBondContact O-N 2.86Å; Y2-A6 WeakPolarHBondContact O-CB 3.33Å; Y2-A6 PolarHBondContact O-N 3.25Å |
| 3 | E | 51 | Low | 60.1 | Low | 161 Ų | 161 | 125.1 Ų | 125.1 | 75% | 0.752 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.5 | -37.1 | 176.6 | -63.9 | -177.5 | 127.2 | 0 | 0 | 113.2 | M1 A6 L7 | M1-E3 PolarHBondContact O-N 2.75Å; E3-A6 PolarHBondContact O-N 3.04Å; E3-L7 WeakPolarHBondContact O-CG 3.39Å; E3-L7 PolarHBondContact O-N 2.93Å |
| 4 | F | 51.1 | Low | 60.9 | Low | 152 Ų | 152 | 121.7 Ų | 121.7 | 67% | 0.667 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.8 | -39.3 | 178.1 | -160.3 | -90.6 | 0 | 0 | 0 | 111.3 | M1 Y2 C8 | M1-F4 WeakPolarHBondContact O-CB 3.29Å; M1-F4 PolarHBondContact O-N 2.6Å; Y2-F4 VanDerWaalsContact C-N 3.31Å; Y2-F4 PolarHBondContact O-N 2.79Å; F4-C8 PolarHBondContact O-N 3.19Å; F4-C8 PolarHBondContact O-SG 3.41Å; F4-C8 VanDerWaalsContact O-SG 3.32Å |
| 5 | M | 56.6 | Low | 61.5 | Low | 116 Ų | 116 | 119.9 Ų | 119.9 | 57% | 0.571 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64 | -40.6 | 170.6 | -72 | -169.8 | 177.9 | 0 | 0 | 112 | M1 Y2 C8 A9 | M1-M5 PolarHBondContact O-N 2.86Å; M1-M5 VanDerWaalsContact O-N 3.11Å; Y2-M5 PolarHBondContact O-N 2.86Å; M5-C8 PolarHBondContact O-N 3.44Å; M5-A9 WeakPolarHBondContact O-CB 3.48Å; M5-A9 PolarHBondContact O-N 3.05Å |
| 6 | A | 61.8 | Low | 61.9 | Low | 60 Ų | 60 | 121.2 Ų | 121.2 | 50% | 0.496 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.6 | -44.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y2 E3 A9 Y10 | Y2-A6 WeakPolarHBondContact O-CB 3.33Å; Y2-A6 PolarHBondContact O-N 3.25Å; E3-A6 PolarHBondContact O-N 3.04Å; A6-A9 PolarHBondContact O-N 2.86Å; A6-Y10 WeakPolarHBondContact O-CB 3.46Å; A6-Y10 PolarHBondContact O-N 3.37Å |
| 7 | L | 61.3 | Low | 62.3 | Low | 112 Ų | 112 | 116.9 Ų | 116.9 | 59% | 0.586 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.8 | -50.8 | 174.4 | -73.5 | 166.8 | 0 | 0 | 0 | 111.7 | E3 A9 Y10 D11 | E3-L7 WeakPolarHBondContact O-CG 3.39Å; E3-L7 PolarHBondContact O-N 2.93Å; L7-A9 VanDerWaalsContact C-N 3.29Å; L7-A9 PolarHBondContact O-N 2.95Å; L7-Y10 WeakPolarHBondContact O-CB 3.47Å; L7-Y10 PolarHBondContact O-N 3.49Å; L7-Y10 VanDerWaalsContact O-N 3.07Å; L7-D11 PolarHBondContact O-N 3.27Å |
| 8 | C | 60.8 | Low | 62.8 | Low | 63 Ų | 63 | 113.6 Ų | 113.6 | 43% | 0.426 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60 | -37.7 | 177.7 | -68.6 | 0 | 0 | 0 | 0 | 112.8 | F4 M5 F12 | F4-C8 PolarHBondContact O-N 3.19Å; F4-C8 PolarHBondContact O-SG 3.41Å; F4-C8 VanDerWaalsContact O-SG 3.32Å; M5-C8 PolarHBondContact O-N 3.44Å; C8-F12 WeakPolarHBondContact O-CB 3.35Å; C8-F12 PolarHBondContact O-N 2.78Å; C8-F12 VanDerWaalsContact O-N 3.1Å |
| 9 | A | 65.5 | Low | 63 | Low | 56 Ų | 56 | 113.2 Ų | 113.2 | 46% | 0.463 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.4 | -37.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M5 A6 L7 F12 M13 | M5-A9 WeakPolarHBondContact O-CB 3.48Å; M5-A9 PolarHBondContact O-N 3.05Å; A6-A9 PolarHBondContact O-N 2.86Å; L7-A9 VanDerWaalsContact C-N 3.29Å; L7-A9 PolarHBondContact O-N 2.95Å; A9-F12 PolarHBondContact O-N 3.16Å; A9-M13 WeakPolarHBondContact O-CB 3.38Å; A9-M13 VanDerWaalsContact O-CG 3.26Å; A9-M13 WeakPolarHBondContact O-CG 3.47Å; A9-M13 PolarHBondContact O-N 2.91Å |
| 10 | Y | 69.5 | Low | 63.4 | Low | 167 Ų | 167 | 113.1 Ų | 113.1 | 66% | 0.655 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.7 | -45.3 | 177.7 | -149.4 | -98.4 | 0 | 0 | 0 | 111.7 | A6 L7 F12 M13 I14 | A6-Y10 WeakPolarHBondContact O-CB 3.46Å; A6-Y10 PolarHBondContact O-N 3.37Å; L7-Y10 WeakPolarHBondContact O-CB 3.47Å; L7-Y10 PolarHBondContact O-N 3.49Å; L7-Y10 VanDerWaalsContact O-N 3.07Å; Y10-F12 PolarHBondContact O-N 2.79Å; Y10-M13 PolarHBondContact O-N 2.9Å; Y10-I14 HydrophobicContact CD1-CD1 3.63Å; Y10-I14 HydrophobicContact CD1-CG1 4.31Å; Y10-I14 HydrophobicContact CE1-CD1 3.81Å; Y10-I14 HydrophobicContact CE1-CG1 4.45Å; Y10-I14 WeakPolarHBondContact O-CG1 3.31Å; Y10-I14 PolarHBondContact O-N 2.69Å |
| 11 | D | 66.8 | Low | 63.7 | Low | 96 Ų | 96 | 115.2 Ų | 115.2 | 51% | 0.513 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.1 | -43.7 | 173.9 | -77.9 | -26.7 | 0 | 0 | 0 | 111.7 | L7 M13 I14 I15 | L7-D11 PolarHBondContact O-N 3.27Å; D11-M13 VanDerWaalsContact C-N 3.33Å; D11-M13 PolarHBondContact O-N 2.99Å; D11-I14 PolarHBondContact O-N 2.79Å; D11-I15 WeakPolarHBondContact O-CB 3.3Å; D11-I15 VanDerWaalsContact O-CG1 3.27Å; D11-I15 WeakPolarHBondContact O-CG1 3.49Å; D11-I15 PolarHBondContact O-N 2.74Å |
| 12 | F | 66.4 | Low | 64.5 | Low | 130 Ų | 130 | 108.7 Ų | 108.7 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62 | -41.8 | 177.9 | -143.8 | -95.9 | 0 | 0 | 0 | 111.6 | C8 A9 Y10 I15 Y16 | C8-F12 WeakPolarHBondContact O-CB 3.35Å; C8-F12 PolarHBondContact O-N 2.78Å; C8-F12 VanDerWaalsContact O-N 3.1Å; A9-F12 PolarHBondContact O-N 3.16Å; Y10-F12 PolarHBondContact O-N 2.79Å; F12-I15 PolarHBondContact O-N 3.24Å; F12-Y16 AromaticContact CD1-CD2 3.8Å; F12-Y16 HydrophobicContact CD1-CD2 3.8Å; F12-Y16 AromaticContact CD1-CE2 3.86Å; F12-Y16 HydrophobicContact CD1-CE2 3.86Å; F12-Y16 AromaticContact CE1-CD2 3.81Å; F12-Y16 HydrophobicContact CE1-CD2 3.81Å; F12-Y16 AromaticContact CE1-CE2 3.36Å; F12-Y16 HydrophobicContact CE1-CE2 3.36Å; F12-Y16 AromaticContact CZ-CE2 4Å; F12-Y16 HydrophobicContact CZ-CE2 4Å; F12-Y16 PolarHBondContact O-N 3.26Å |
| 13 | M | 71.1 | Confident | 65.3 | Low | 113 Ų | 113 | 101.7 Ų | 101.7 | 56% | 0.557 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64 | -43 | 174.8 | -75.7 | -79.9 | -82.8 | 0 | 0 | 112.3 | A9 Y10 D11 A17 F474 | A9-M13 WeakPolarHBondContact O-CB 3.38Å; A9-M13 VanDerWaalsContact O-CG 3.26Å; A9-M13 WeakPolarHBondContact O-CG 3.47Å; A9-M13 PolarHBondContact O-N 2.91Å; Y10-M13 PolarHBondContact O-N 2.9Å; D11-M13 VanDerWaalsContact C-N 3.33Å; D11-M13 PolarHBondContact O-N 2.99Å; M13-A17 VanDerWaalsContact O-CB 3.28Å; M13-A17 WeakPolarHBondContact O-CB 3.36Å; M13-A17 PolarHBondContact O-N 3.1Å; M13-F474 HydrophobicContact SD-CE1 4.14Å; M13-F474 HydrophobicContact SD-CZ 3.88Å |
| 14 | I | 72.3 | Confident | 66.2 | Low | 78 Ų | 78 | 101.1 Ų | 101.1 | 40% | 0.4 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 176 | -71.3 | 170.2 | 0 | 0 | 0 | 110.5 | Y10 D11 Y16 A17 T18 | Y10-I14 HydrophobicContact CD1-CD1 3.63Å; Y10-I14 HydrophobicContact CD1-CG1 4.31Å; Y10-I14 HydrophobicContact CE1-CD1 3.81Å; Y10-I14 HydrophobicContact CE1-CG1 4.45Å; Y10-I14 WeakPolarHBondContact O-CG1 3.31Å; Y10-I14 PolarHBondContact O-N 2.69Å; D11-I14 PolarHBondContact O-N 2.79Å; I14-Y16 PolarHBondContact O-N 2.93Å; I14-A17 PolarHBondContact O-N 3.35Å; I14-T18 WeakPolarHBondContact O-CG2 3.48Å; I14-T18 PolarHBondContact O-N 2.99Å |
| 15 | I | 69.5 | Low | 66.9 | Low | 95 Ų | 95 | 99.2 Ų | 99.2 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.7 | -51.3 | 179.6 | -69.5 | 164.9 | 0 | 0 | 0 | 110.1 | D11 F12 A17 T18 E19 | D11-I15 WeakPolarHBondContact O-CB 3.3Å; D11-I15 VanDerWaalsContact O-CG1 3.27Å; D11-I15 WeakPolarHBondContact O-CG1 3.49Å; D11-I15 PolarHBondContact O-N 2.74Å; F12-I15 PolarHBondContact O-N 3.24Å; I15-A17 VanDerWaalsContact C-N 3.35Å; I15-A17 PolarHBondContact O-N 3.43Å; I15-T18 PolarHBondContact O-N 3.17Å; I15-T18 VanDerWaalsContact O-N 3.12Å; I15-T18 PolarHBondContact O-OG1 3.49Å; I15-E19 PolarHBondContact O-N 2.72Å |
| 16 | Y | 67.4 | Low | 67.3 | Low | 140 Ų | 140 | 97.2 Ų | 97.2 | 55% | 0.549 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -38.1 | 177.6 | -95.3 | -91.5 | 0 | 0 | 0 | 113.2 | F12 I14 T18 E19 L20 | F12-Y16 AromaticContact CD1-CD2 3.8Å; F12-Y16 HydrophobicContact CD1-CD2 3.8Å; F12-Y16 AromaticContact CD1-CE2 3.86Å; F12-Y16 HydrophobicContact CD1-CE2 3.86Å; F12-Y16 AromaticContact CE1-CD2 3.81Å; F12-Y16 HydrophobicContact CE1-CD2 3.81Å; F12-Y16 AromaticContact CE1-CE2 3.36Å; F12-Y16 HydrophobicContact CE1-CE2 3.36Å; F12-Y16 AromaticContact CZ-CE2 4Å; F12-Y16 HydrophobicContact CZ-CE2 4Å; F12-Y16 PolarHBondContact O-N 3.26Å; I14-Y16 PolarHBondContact O-N 2.93Å; Y16-T18 VanDerWaalsContact C-N 3.3Å; Y16-T18 PolarHBondContact O-N 2.91Å; Y16-E19 PolarHBondContact O-N 2.9Å; Y16-L20 WeakPolarHBondContact O-CB 3.24Å; Y16-L20 PolarHBondContact O-N 2.96Å |
| 17 | A | 69.5 | Low | 67.4 | Low | 48 Ų | 48 | 97.3 Ų | 97.3 | 40% | 0.397 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -33.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M13 I14 I15 K21 | M13-A17 VanDerWaalsContact O-CB 3.28Å; M13-A17 WeakPolarHBondContact O-CB 3.36Å; M13-A17 PolarHBondContact O-N 3.1Å; I14-A17 PolarHBondContact O-N 3.35Å; I15-A17 VanDerWaalsContact C-N 3.35Å; I15-A17 PolarHBondContact O-N 3.43Å; A17-K21 WeakPolarHBondContact O-CG 3.32Å; A17-K21 PolarHBondContact O-N 3.26Å |
| 18 | T | 70.7 | Confident | 67.3 | Low | 57 Ų | 57 | 93.8 Ų | 93.8 | 35% | 0.35 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -73.2 | -42.1 | 173.6 | 66.4 | 0 | 0 | 0 | 0 | 112.7 | I14 I15 Y16 L20 K21 L22 | I14-T18 WeakPolarHBondContact O-CG2 3.48Å; I14-T18 PolarHBondContact O-N 2.99Å; I15-T18 PolarHBondContact O-N 3.17Å; I15-T18 VanDerWaalsContact O-N 3.12Å; I15-T18 PolarHBondContact O-OG1 3.49Å; Y16-T18 VanDerWaalsContact C-N 3.3Å; Y16-T18 PolarHBondContact O-N 2.91Å; T18-L20 VanDerWaalsContact C-N 3.34Å; T18-L20 PolarHBondContact O-N 3.49Å; T18-K21 PolarHBondContact O-N 2.95Å; T18-L22 WeakPolarHBondContact O-CB 3.43Å; T18-L22 PolarHBondContact O-N 3.46Å |
| 19 | E | 67.6 | Low | 67.3 | Low | 107 Ų | 107 | 94.1 Ų | 94.1 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.2 | -38.2 | 175.6 | -66.9 | -123.1 | 141 | 0 | 0 | 111.5 | I15 Y16 L22 A23 | I15-E19 PolarHBondContact O-N 2.72Å; Y16-E19 PolarHBondContact O-N 2.9Å; E19-L22 WeakPolarHBondContact O-CB 3.25Å; E19-L22 PolarHBondContact O-N 3.14Å; E19-A23 WeakPolarHBondContact O-CB 3.4Å; E19-A23 PolarHBondContact O-N 3.2Å |
| 20 | L | 69.4 | Low | 66.5 | Low | 110 Ų | 110 | 97 Ų | 97 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.6 | -36.2 | 177.1 | -152.9 | 83.7 | 0 | 0 | 0 | 112.7 | Y16 T18 K24 | Y16-L20 WeakPolarHBondContact O-CB 3.24Å; Y16-L20 PolarHBondContact O-N 2.96Å; T18-L20 VanDerWaalsContact C-N 3.34Å; T18-L20 PolarHBondContact O-N 3.49Å; L20-K24 WeakPolarHBondContact O-CG 3.46Å; L20-K24 PolarHBondContact O-N 2.75Å |
| 21 | K | 70 | Confident | 65.9 | Low | 159 Ų | 159 | 92.4 Ų | 92.4 | 69% | 0.691 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.8 | -41.8 | 171.4 | -78.2 | 174.9 | 179 | 176.1 | 0 | 111.3 | A17 T18 K24 H25 | A17-K21 WeakPolarHBondContact O-CG 3.32Å; A17-K21 PolarHBondContact O-N 3.26Å; T18-K21 PolarHBondContact O-N 2.95Å; K21-K24 PolarHBondContact O-N 3.37Å; K21-H25 PolarHBondContact O-N 2.91Å |
| 22 | L | 67.9 | Low | 65.1 | Low | 57 Ų | 57 | 93 Ų | 93 | 30% | 0.298 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -48.1 | 175.7 | -175.1 | 73.2 | 0 | 0 | 0 | 111.6 | T18 E19 K24 H25 V26 Y286 | T18-L22 WeakPolarHBondContact O-CB 3.43Å; T18-L22 PolarHBondContact O-N 3.46Å; E19-L22 WeakPolarHBondContact O-CB 3.25Å; E19-L22 PolarHBondContact O-N 3.14Å; L22-K24 VanDerWaalsContact C-N 3.29Å; L22-K24 PolarHBondContact O-N 3Å; L22-H25 PolarHBondContact O-N 3.31Å; L22-V26 HydrophobicContact CG-CG2 4.37Å; L22-V26 WeakPolarHBondContact O-CG2 3.47Å; L22-V26 PolarHBondContact O-N 3.23Å; L22-Y286 HydrophobicContact CD1-CE2 4Å; L22-Y286 VanDerWaalsContact CD1-OH 3.31Å; L22-Y286 WeakPolarHBondContact CD1-OH 3.35Å; L22-Y286 HydrophobicContact CD2-CE1 4.3Å; L22-Y286 HydrophobicContact CD2-CE2 4.38Å; L22-Y286 WeakPolarHBondContact CD2-OH 3.46Å |
| 23 | A | 65.2 | Low | 64.6 | Low | 58 Ų | 58 | 88.7 Ų | 88.7 | 48% | 0.479 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.9 | -41.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | E19 V26 A27 | E19-A23 WeakPolarHBondContact O-CB 3.4Å; E19-A23 PolarHBondContact O-N 3.2Å; A23-V26 PolarHBondContact O-N 2.87Å; A23-A27 VanDerWaalsContact O-CB 3.31Å; A23-A27 WeakPolarHBondContact O-CB 3.11Å; A23-A27 PolarHBondContact O-N 3.34Å |
| 24 | K | 70.3 | Confident | 63.6 | Low | 150 Ų | 150 | 86.1 Ų | 86.1 | 65% | 0.652 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.7 | -39.2 | 173.2 | -72.3 | -179.8 | 179.3 | -173.4 | 0 | 112.6 | L20 K21 L22 G28 | L20-K24 WeakPolarHBondContact O-CG 3.46Å; L20-K24 PolarHBondContact O-N 2.75Å; K21-K24 PolarHBondContact O-N 3.37Å; L22-K24 VanDerWaalsContact C-N 3.29Å; L22-K24 PolarHBondContact O-N 3Å; K24-G28 PolarHBondContact O-N 3.16Å |
| 25 | H | 66.1 | Low | 62.6 | Low | 111 Ų | 111 | 88.3 Ų | 88.3 | 51% | 0.514 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69 | -39.6 | 176.6 | -167.1 | -115.7 | 0 | 0 | 0 | 112.8 | K21 L22 G28 T29 | K21-H25 PolarHBondContact O-N 2.91Å; L22-H25 PolarHBondContact O-N 3.31Å; H25-G28 PolarHBondContact O-N 2.95Å; H25-T29 WeakPolarHBondContact O-CG2 3.44Å; H25-T29 PolarHBondContact O-N 3.48Å; H25-T29 PolarHBondContact O-OG1 2.92Å |
| 26 | V | 65.3 | Low | 61.8 | Low | 75 Ų | 75 | 90 Ų | 90 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.4 | -43.5 | 175 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | L22 A23 G28 T29 M30 | L22-V26 HydrophobicContact CG-CG2 4.37Å; L22-V26 WeakPolarHBondContact O-CG2 3.47Å; L22-V26 PolarHBondContact O-N 3.23Å; A23-V26 PolarHBondContact O-N 2.87Å; V26-G28 VanDerWaalsContact C-N 3.35Å; V26-G28 PolarHBondContact O-N 3.43Å; V26-T29 WeakPolarHBondContact CA-OG1 3.39Å; V26-T29 PolarHBondContact O-N 2.96Å; V26-T29 PolarHBondContact O-OG1 3Å; V26-M30 HydrophobicContact CG1-CG 4.17Å; V26-M30 VanDerWaalsContact O-CB 3.25Å; V26-M30 WeakPolarHBondContact O-CB 3.49Å; V26-M30 WeakPolarHBondContact O-CG 3.17Å; V26-M30 PolarHBondContact O-N 2.98Å |
| 27 | A | 62.3 | Low | 61.1 | Low | 61 Ų | 61 | 92.6 Ų | 92.6 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | A23 S31 | A23-A27 VanDerWaalsContact O-CB 3.31Å; A23-A27 WeakPolarHBondContact O-CB 3.11Å; A23-A27 PolarHBondContact O-N 3.34Å; A27-S31 WeakPolarHBondContact O-CB 3.43Å; A27-S31 PolarHBondContact O-N 2.91Å |
| 28 | G | 59.2 | Low | 60.1 | Low | 39 Ų | 39 | 95.1 Ų | 95.1 | 40% | 0.402 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.6 | -49.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K24 H25 V26 S31 L32 | K24-G28 PolarHBondContact O-N 3.16Å; H25-G28 PolarHBondContact O-N 2.95Å; V26-G28 VanDerWaalsContact C-N 3.35Å; V26-G28 PolarHBondContact O-N 3.43Å; G28-S31 PolarHBondContact O-N 2.84Å; G28-L32 WeakPolarHBondContact O-CB 3.46Å; G28-L32 PolarHBondContact O-N 3.44Å |
| 29 | T | 60.3 | Low | 59.1 | Low | 70 Ų | 70 | 102.9 Ų | 102.9 | 43% | 0.429 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.1 | -34.3 | 179.1 | 51.1 | 0 | 0 | 0 | 0 | 112.8 | H25 V26 L32 A33 | H25-T29 WeakPolarHBondContact O-CG2 3.44Å; H25-T29 PolarHBondContact O-N 3.48Å; H25-T29 PolarHBondContact O-OG1 2.92Å; V26-T29 WeakPolarHBondContact CA-OG1 3.39Å; V26-T29 PolarHBondContact O-N 2.96Å; V26-T29 PolarHBondContact O-OG1 3Å; T29-L32 PolarHBondContact O-N 3.26Å; T29-A33 WeakPolarHBondContact O-CB 3.4Å; T29-A33 PolarHBondContact O-N 3.45Å |
| 30 | M | 50.1 | Low | 57.9 | Low | 117 Ų | 117 | 101 Ų | 101 | 58% | 0.576 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.3 | -44.4 | 171.1 | -73 | -98.4 | 67.2 | 0 | 0 | 112 | V26 A33 A34 | V26-M30 HydrophobicContact CG1-CG 4.17Å; V26-M30 VanDerWaalsContact O-CB 3.25Å; V26-M30 WeakPolarHBondContact O-CB 3.49Å; V26-M30 WeakPolarHBondContact O-CG 3.17Å; V26-M30 PolarHBondContact O-N 2.98Å; M30-A33 PolarHBondContact O-N 3.45Å; M30-A34 WeakPolarHBondContact O-CB 3.37Å; M30-A34 PolarHBondContact O-N 2.68Å |
| 31 | S | 56 | Low | 56.7 | Low | 70 Ų | 70 | 101.8 Ų | 101.8 | 49% | 0.49 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.9 | -45.5 | 175.4 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | A27 G28 A33 A34 M35 | A27-S31 WeakPolarHBondContact O-CB 3.43Å; A27-S31 PolarHBondContact O-N 2.91Å; G28-S31 PolarHBondContact O-N 2.84Å; S31-A33 PolarHBondContact O-N 3.08Å; S31-A34 PolarHBondContact O-N 3.35Å; S31-M35 WeakPolarHBondContact O-CB 3.5Å; S31-M35 PolarHBondContact O-N 3.22Å |
| 32 | L | 51.4 | Low | 55.2 | Low | 107 Ų | 107 | 97.7 Ų | 97.7 | 56% | 0.56 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.2 | -37.2 | 179.1 | -152.3 | 145.5 | 0 | 0 | 0 | 111.6 | G28 T29 M35 H36 | G28-L32 WeakPolarHBondContact O-CB 3.46Å; G28-L32 PolarHBondContact O-N 3.44Å; T29-L32 PolarHBondContact O-N 3.26Å; L32-M35 PolarHBondContact O-N 3.03Å; L32-H36 WeakPolarHBondContact O-CB 3.42Å; L32-H36 PolarHBondContact O-CD2 2.88Å; L32-H36 PolarHBondContact O-N 3.15Å |
| 33 | A | 54.6 | Low | 54 | Low | 40 Ų | 40 | 101.4 Ų | 101.4 | 33% | 0.331 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.7 | -39.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T29 M30 S31 H36 R37 | T29-A33 WeakPolarHBondContact O-CB 3.4Å; T29-A33 PolarHBondContact O-N 3.45Å; M30-A33 PolarHBondContact O-N 3.45Å; S31-A33 PolarHBondContact O-N 3.08Å; A33-H36 PolarHBondContact O-N 3.15Å; A33-R37 WeakPolarHBondContact O-CG 3.33Å; A33-R37 PolarHBondContact O-N 2.69Å |
| 34 | A | 51.4 | Low | 52.7 | Low | 59 Ų | 59 | 103.6 Ų | 103.6 | 49% | 0.488 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65 | -41.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | M30 S31 H36 R37 S38 | M30-A34 WeakPolarHBondContact O-CB 3.37Å; M30-A34 PolarHBondContact O-N 2.68Å; S31-A34 PolarHBondContact O-N 3.35Å; A34-H36 VanDerWaalsContact C-N 3.33Å; A34-H36 PolarHBondContact O-N 3.01Å; A34-R37 PolarHBondContact O-N 2.9Å; A34-S38 WeakPolarHBondContact O-CB 3.5Å; A34-S38 PolarHBondContact O-N 3.26Å |
| 35 | M | 51.4 | Low | 50.9 | Low | 124 Ų | 124 | 106.2 Ų | 106.2 | 61% | 0.611 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.7 | -35.4 | 175.5 | -160.2 | -175.1 | -56.3 | 0 | 0 | 112.1 | S31 L32 R39 | S31-M35 WeakPolarHBondContact O-CB 3.5Å; S31-M35 PolarHBondContact O-N 3.22Å; L32-M35 PolarHBondContact O-N 3.03Å; M35-R39 WeakPolarHBondContact O-CB 3.1Å; M35-R39 PolarHBondContact O-N 2.9Å |
| 36 | H | 52.4 | Low | 49.5 | Very low | 131 Ų | 131 | 104.8 Ų | 104.8 | 61% | 0.606 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.4 | -42.2 | 171.1 | -93.5 | -96.8 | 0 | 0 | 0 | 113 | L32 A33 A34 R39 A40 | L32-H36 WeakPolarHBondContact O-CB 3.42Å; L32-H36 PolarHBondContact O-CD2 2.88Å; L32-H36 PolarHBondContact O-N 3.15Å; A33-H36 PolarHBondContact O-N 3.15Å; A34-H36 VanDerWaalsContact C-N 3.33Å; A34-H36 PolarHBondContact O-N 3.01Å; H36-R39 CarbonylContact O-C 3.31Å; H36-R39 PolarHBondContact O-N 2.77Å; H36-A40 WeakPolarHBondContact O-CB 3.37Å; H36-A40 PolarHBondContact O-N 3.49Å; H36-A40 VanDerWaalsContact O-N 3.14Å |
| 37 | R | 52 | Low | 48.4 | Very low | 195 Ų | 195 | 108.6 Ų | 108.6 | 74% | 0.736 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -61 | -48.5 | 176.3 | -76 | -179.4 | -175.6 | -166.3 | 2.1 | 111.7 | A33 A34 R39 A40 T41 | A33-R37 WeakPolarHBondContact O-CG 3.33Å; A33-R37 PolarHBondContact O-N 2.69Å; A34-R37 PolarHBondContact O-N 2.9Å; R37-R39 PolarHBondContact O-N 3.02Å; R37-R39 VanDerWaalsContact O-N 3.09Å; R37-A40 PolarHBondContact O-N 3.32Å; R37-T41 PolarHBondContact O-N 3.11Å; R37-T41 PolarHBondContact O-OG1 2.95Å; R37-T41 VanDerWaalsContact O-OG1 3.12Å |
| 38 | S | 49.3 | Very low | 47.2 | Very low | 101 Ų | 101 | 113.2 Ų | 113.2 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -60.2 | -20.6 | 177.2 | -168.5 | 0 | 0 | 0 | 0 | 113.4 | A34 | A34-S38 WeakPolarHBondContact O-CB 3.5Å; A34-S38 PolarHBondContact O-N 3.26Å |
| 39 | R | 48.2 | Very low | 46 | Very low | 220 Ų | 220 | 114.2 Ų | 114.2 | 83% | 0.83 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 1.3 | 176.9 | -152.7 | 171.9 | -172.6 | 170.2 | 2.1 | 113.8 | M35 H36 R37 | M35-R39 WeakPolarHBondContact O-CB 3.1Å; M35-R39 PolarHBondContact O-N 2.9Å; H36-R39 CarbonylContact O-C 3.31Å; H36-R39 PolarHBondContact O-N 2.77Å; R37-R39 PolarHBondContact O-N 3.02Å; R37-R39 VanDerWaalsContact O-N 3.09Å |
| 40 | A | 43.9 | Very low | 45 | Very low | 67 Ų | 67 | 120 Ų | 120 | 55% | 0.554 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | -11.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | H36 R37 A42 | H36-A40 WeakPolarHBondContact O-CB 3.37Å; H36-A40 PolarHBondContact O-N 3.49Å; H36-A40 VanDerWaalsContact O-N 3.14Å; R37-A40 PolarHBondContact O-N 3.32Å; A40-A42 PolarHBondContact O-N 3.26Å |
| 41 | T | 43.9 | Very low | 44.5 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 78% | 0.779 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -74.3 | 3.8 | 170.8 | 13.2 | 0 | 0 | 0 | 0 | 114.3 | R37 | R37-T41 PolarHBondContact O-N 3.11Å; R37-T41 PolarHBondContact O-OG1 2.95Å; R37-T41 VanDerWaalsContact O-OG1 3.12Å |
| 42 | A | 39 | Very low | 43.8 | Very low | 73 Ų | 73 | 132.3 Ų | 132.3 | 60% | 0.603 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -116.9 | 135.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | A40 | A40-A42 PolarHBondContact O-N 3.26Š|
| 43 | V | 40.8 | Very low | 43.2 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 82.2 | 143.9 | -168.8 | -171.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 44 | S | 38.6 | Very low | 42.8 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | 70.2 | 67.6 | 170.4 | 42.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 45 | H | 33 | Very low | 42.3 | Very low | 206 Ų | 206 | 143.6 Ų | 143.6 | 95% | 0.954 | 77% | 0.773 | S | S | * | * | -74.1 | 112.4 | 125.4 | -96.3 | -93.3 | 0 | 0 | 0 | 107.7 | |||||
| 46 | A | 36.3 | Very low | 41.8 | Very low | 80 Ų | 80 | 145.9 Ų | 145.9 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | trans | -169.5 | 119 | 162.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 47 | I | 43.2 | Very low | 41.4 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 80% | 0.795 | 79% | 0.793 | S | S | * | * | trans | 61.6 | 104.9 | 136.4 | -55.5 | 171.6 | 0 | 0 | 0 | 118 | ||||
| 48 | V | 36 | Very low | 40.9 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 96% | 0.964 | 80% | 0.797 | S | S | * | * | trans | -71.7 | 124.5 | 139.6 | 174.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 49 | G | 35.4 | Very low | 40.4 | Very low | 59 Ų | 59 | 150.4 Ų | 150.4 | 61% | 0.608 | 81% | 0.807 | S | S | * | * | trans | -178.3 | 153.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 50 | E | 38.1 | Very low | 40.1 | Very low | 191 Ų | 191 | 146.8 Ų | 146.8 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -83.5 | 164.7 | -164.7 | -72.1 | -175.5 | 90.9 | 0 | 0 | 116.7 | R52 | E50-R52 PolarHBondContact O-N 3.37Š| ||
| 51 | K | 39.9 | Very low | 40.1 | Very low | 210 Ų | 210 | 149.6 Ų | 149.6 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | trans | -50.7 | 84.9 | 178.8 | -56 | 163.1 | -177.3 | 166.6 | 0 | 114.7 | ||||
| 52 | R | 41.1 | Very low | 39.8 | Very low | 236 Ų | 236 | 148.8 Ų | 148.8 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | trans | -134.4 | 126 | 157 | -63.4 | -169.4 | -172.5 | -147.4 | 0.5 | 110.8 | E50 | E50-R52 PolarHBondContact O-N 3.37Š| ||
| 53 | G | 38.2 | Very low | 40.1 | Very low | 85 Ų | 85 | 155.1 Ų | 155.1 | 88% | 0.876 | 83% | 0.829 | S | S | * | * | trans | -81 | 120.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 54 | L | 45.8 | Very low | 40.1 | Very low | 164 Ų | 164 | 153.7 Ų | 153.7 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | trans | -105.4 | 126.4 | 177.1 | -66.3 | 175.8 | 0 | 0 | 0 | 111.5 | ||||
| 55 | K | 42.1 | Very low | 40 | Very low | 195 Ų | 195 | 153.6 Ų | 153.6 | 85% | 0.848 | 83% | 0.825 | S | S | * | * | trans | -97.6 | 90.1 | -175.8 | -172.8 | 178.5 | -177.7 | 177.6 | 0 | 110.3 | V57 | K55-V57 PolarHBondContact O-N 2.94Š| ||
| 56 | L | 40.9 | Very low | 40.3 | Very low | 172 Ų | 172 | 151.4 Ų | 151.4 | 90% | 0.901 | 82% | 0.819 | S | S | * | * | trans | -66.9 | 116.5 | 177.9 | -76.4 | 168.3 | 0 | 0 | 0 | 111.6 | ||||
| 57 | V | 44.4 | Very low | 40.4 | Very low | 123 Ų | 123 | 151.6 Ų | 151.6 | 75% | 0.745 | 82% | 0.815 | S | S | * | * | trans | -101.9 | 106.2 | 172.5 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | K55 R59 | K55-V57 PolarHBondContact O-N 2.94Å; V57-R59 PolarHBondContact O-N 3.39Å | ||
| 58 | L | 40.6 | Very low | 40.2 | Very low | 157 Ų | 157 | 153.2 Ų | 153.2 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -82.1 | 104.2 | 179.2 | -153 | 84.3 | 0 | 0 | 0 | 110.4 | L60 | L58-L60 PolarHBondContact O-N 3.05Š| ||
| 59 | R | 38 | Very low | 40 | Very low | 241 Ų | 241 | 149.6 Ų | 149.6 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -87.9 | 99.7 | -179.7 | -165.8 | 178.7 | -172 | 111 | -3.3 | 110.6 | V57 | V57-R59 PolarHBondContact O-N 3.39Š| ||
| 60 | L | 43.8 | Very low | 39.9 | Very low | 144 Ų | 144 | 151.7 Ų | 151.7 | 75% | 0.754 | 82% | 0.818 | S | S | * | * | trans | -75.2 | 131.4 | 174.1 | -71.3 | 165.9 | 0 | 0 | 0 | 110.7 | L58 S62 | L58-L60 PolarHBondContact O-N 3.05Å; L60-S62 PolarHBondContact O-N 3.41Å | ||
| 61 | P | 43.7 | Very low | 39.8 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -77.5 | 114.2 | 176.4 | 30.2 | -32.6 | 0 | 0 | 0 | 110.7 | ||||
| 62 | S | 37 | Very low | 39.6 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -85.2 | 127.7 | 166.5 | 52.8 | 0 | 0 | 0 | 0 | 110.5 | L60 | L60-S62 PolarHBondContact O-N 3.41Š| ||
| 63 | K | 45.3 | Very low | 39.2 | Very low | 206 Ų | 206 | 136.6 Ų | 136.6 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | trans | -170.9 | 123.6 | 144.1 | -106.6 | 156.8 | -171.3 | -176.2 | 0 | 112.7 | ||||
| 64 | S | 39.7 | Very low | 38.9 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -55.3 | 158.5 | 144.2 | 49.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 65 | S | 37.6 | Very low | 38.2 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | cis | -159.7 | -174.1 | 20.3 | 23.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 66 | L | 40.1 | Very low | 37.7 | Very low | 160 Ų | 160 | 134.7 Ų | 134.7 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | 13.4 | 143.5 | 148.6 | -84.7 | 59.4 | 0 | 0 | 0 | 119.3 | ||||
| 67 | S | 36.9 | Very low | 37.4 | Very low | 83 Ų | 83 | 130.9 Ų | 130.9 | 58% | 0.58 | 76% | 0.759 | S | S | * | * | cis | 169 | 146.1 | -12.6 | 47.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 68 | Q | 40 | Very low | 37.1 | Very low | 190 Ų | 190 | 132 Ų | 132 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | trans | 65.5 | 168.3 | 177.3 | -47.6 | -179.1 | 52.1 | 0 | 0 | 114.6 | ||||
| 69 | A | 31.4 | Very low | 37.2 | Very low | 83 Ų | 83 | 132.4 Ų | 132.4 | 69% | 0.686 | 75% | 0.754 | S | S | * | * | cis | -167.6 | 136.4 | -49.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 70 | A | 32.9 | Very low | 37.3 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | 60.9 | 162.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 71 | S | 36.1 | Very low | 37.5 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | cis | -159.6 | 167.2 | -21.7 | 49 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 72 | T | 35.3 | Very low | 37.3 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | trans | 54.7 | 89.1 | 149.2 | 48.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 73 | S | 32.7 | Very low | 37.4 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | 61.8 | 144.8 | 114.7 | 66.1 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 74 | K | 33.4 | Very low | 37.3 | Very low | 181 Ų | 181 | 125.1 Ų | 125.1 | 79% | 0.787 | 73% | 0.73 | S | S | * | * | trans | 90.5 | 123 | 148 | -95.6 | -156 | 171.4 | -168.9 | 0 | 120.1 | ||||
| 75 | T | 29.9 | Very low | 37.7 | Very low | 111 Ų | 111 | 126.3 Ų | 126.3 | 68% | 0.681 | 73% | 0.728 | S | S | * | * | trans | 66.2 | 147.3 | 136.8 | 55.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 76 | T | 31.5 | Very low | 37.6 | Very low | 113 Ų | 113 | 129 Ų | 129 | 69% | 0.693 | 73% | 0.729 | S | S | * | * | cis | -160.5 | 163.7 | 1.6 | 3.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 77 | S | 34.1 | Very low | 37.8 | Very low | 92 Ų | 92 | 127.8 Ų | 127.8 | 64% | 0.643 | 72% | 0.722 | S | S | * | * | trans | 52.9 | 178.3 | 158.1 | 49.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 78 | E | 39.5 | Very low | 38 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | cis | -103.7 | -159.3 | -15.9 | -60.7 | 65.5 | -130.4 | 0 | 0 | 108.6 | ||||
| 79 | E | 43 | Very low | 37.9 | Very low | 165 Ų | 165 | 126.2 Ų | 126.2 | 77% | 0.771 | 72% | 0.715 | S | S | * | * | cis | -160.8 | 115.1 | -10.2 | -134.8 | 155.2 | -127 | 0 | 0 | 104.5 | ||||
| 80 | D | 38.6 | Very low | 38.4 | Very low | 152 Ų | 152 | 128.3 Ų | 128.3 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | 68.5 | 120.5 | 100.9 | -74.2 | -13.7 | 0 | 0 | 0 | 119.3 | |||||
| 81 | E | 48.4 | Very low | 38.8 | Very low | 165 Ų | 165 | 129.3 Ų | 129.3 | 77% | 0.771 | 71% | 0.706 | S | S | * | * | 158 | 145.3 | 117 | -85.5 | -123.9 | 140.2 | 0 | 0 | 116.5 | |||||
| 82 | N | 39.1 | Very low | 39.2 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | trans | 72.1 | 115.8 | 156.2 | -61.1 | -38.3 | 0 | 0 | 0 | 123.4 | ||||
| 83 | S | 39.7 | Very low | 39.7 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | trans | -67.4 | 177.5 | 167.4 | 54.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 84 | D | 43 | Very low | 40.1 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 68% | 0.684 | 71% | 0.711 | S | S | * | * | -163.5 | 150.8 | 73.1 | -107.4 | 0.4 | 0 | 0 | 0 | 115.3 | |||||
| 85 | L | 47.5 | Very low | 40.4 | Very low | 130 Ų | 130 | 131 Ų | 131 | 68% | 0.681 | 72% | 0.716 | S | S | * | * | trans | 50.4 | 108.8 | 148.3 | -55 | 175.5 | 0 | 0 | 0 | 119.1 | ||||
| 86 | E | 37.4 | Very low | 40.7 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | 80.7 | 123.6 | 70.3 | -78.5 | -161 | 158.1 | 0 | 0 | 115.5 | |||||
| 87 | L | 42.5 | Very low | 41 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 70% | 0.696 | 72% | 0.723 | S | S | * | * | 172.2 | 136.2 | 99.7 | -81.7 | -179.9 | 0 | 0 | 0 | 111.9 | |||||
| 88 | H | 41.6 | Very low | 41.1 | Very low | 158 Ų | 158 | 136.1 Ų | 136.1 | 73% | 0.731 | 73% | 0.733 | S | S | * | * | trans | 54.5 | 115.9 | 147.9 | -71.3 | -53.6 | 0 | 0 | 0 | 121.5 | ||||
| 89 | S | 38.5 | Very low | 41.4 | Very low | 83 Ų | 83 | 135.7 Ų | 135.7 | 58% | 0.58 | 74% | 0.74 | S | S | * | * | 80.2 | 137.8 | 63.1 | 76.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 90 | N | 41.1 | Very low | 41.7 | Very low | 126 Ų | 126 | 133 Ų | 133 | 67% | 0.674 | 74% | 0.737 | S | S | * | * | cis | -163.3 | 165.8 | 6.6 | -116.3 | 25.8 | 0 | 0 | 0 | 110.5 | ||||
| 91 | D | 41.8 | Very low | 41.7 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 66% | 0.658 | 73% | 0.734 | S | S | * | * | trans | 48.6 | 155.9 | 139.5 | -42.9 | -18.2 | 0 | 0 | 0 | 121.3 | ||||
| 92 | D | 44.6 | Very low | 41.2 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | cis | -157.2 | -174 | -1.2 | -136 | -33.3 | 0 | 0 | 0 | 112.4 | ||||
| 93 | D | 45.1 | Very low | 41.2 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | trans | 64.6 | 121.6 | 165.6 | -72.4 | -49.3 | 0 | 0 | 0 | 118 | ||||
| 94 | A | 41.8 | Very low | 41.2 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | cis | 86.9 | 120.1 | 27.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 95 | N | 39.9 | Very low | 40.6 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 88% | 0.882 | 75% | 0.752 | S | S | * | * | -169 | 154.1 | 113.3 | -160.4 | 10.8 | 0 | 0 | 0 | 112 | |||||
| 96 | E | 35.8 | Very low | 40.1 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -100.7 | 174.1 | 178.8 | -82.3 | -74.4 | 175.4 | 0 | 0 | 112.5 | ||||
| 97 | G | 38.9 | Very low | 40.4 | Very low | 71 Ų | 71 | 131.2 Ų | 131.2 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | trans | -177.7 | 69.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 98 | E | 34.9 | Very low | 40 | Very low | 181 Ų | 181 | 130.7 Ų | 130.7 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -73.5 | 162.6 | 162.7 | -67.8 | -163.6 | 118.9 | 0 | 0 | 113 | ||||
| 99 | V | 45.3 | Very low | 40 | Very low | 137 Ų | 137 | 128.8 Ų | 128.8 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | 174.8 | 147.5 | 116.8 | 149.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 100 | P | 49.6 | Very low | 39.6 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | trans | -123.1 | -158.8 | -164.5 | 43.6 | -29.6 | 0 | 0 | 0 | 114.9 | ||||
| 101 | S | 39.2 | Very low | 39.4 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 127.9 | 158.6 | 158.9 | 79 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 102 | K | 37.6 | Very low | 39 | Very low | 184 Ų | 184 | 128.5 Ų | 128.5 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | cis | -163.3 | 177.4 | -1.2 | -133.8 | 166.2 | -168.5 | 171.6 | 0 | 111.5 | ||||
| 103 | L | 39.1 | Very low | 38.8 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | 77.2 | 144.8 | 166.7 | -48.8 | -173.9 | 0 | 0 | 0 | 118.4 | ||||
| 104 | S | 39.2 | Very low | 38.3 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | cis | -164.5 | 127 | -23.4 | 53 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 105 | C | 30.5 | Very low | 38 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | trans | 51.7 | 138.1 | 137.8 | -151.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 106 | G | 38.7 | Very low | 37.9 | Very low | 75 Ų | 75 | 137.1 Ų | 137.1 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -167.9 | 30.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 107 | Q | 42.6 | Very low | 37.9 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | trans | 47.3 | 111.6 | 160.8 | -64.3 | -176.2 | -15.3 | 0 | 0 | 123.2 | ||||
| 108 | S | 35 | Very low | 37.7 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | trans | 72.5 | 158.7 | 130.9 | 83.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 109 | S | 40.2 | Very low | 37.7 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | cis | -140.2 | 178.2 | 2 | 68.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 110 | S | 30.6 | Very low | 37.3 | Very low | 125 Ų | 125 | 151.8 Ų | 151.8 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | trans | -104.9 | 153.4 | -166.5 | 54.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 111 | G | 38 | Very low | 36.7 | Very low | 79 Ų | 79 | 156.5 Ų | 156.5 | 81% | 0.814 | 84% | 0.841 | S | S | * | * | trans | -175.4 | 101.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 112 | S | 31.7 | Very low | 36.7 | Very low | 121 Ų | 121 | 162.8 Ų | 162.8 | 85% | 0.846 | 85% | 0.849 | S | S | * | * | trans | -102.1 | 121.3 | -176.4 | 51.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 113 | I | 40.5 | Very low | 36.8 | Very low | 174 Ų | 174 | 162.5 Ų | 162.5 | 89% | 0.892 | 85% | 0.848 | S | S | * | * | trans | -132.4 | 150.6 | 170.3 | -65.6 | -174.4 | 0 | 0 | 0 | 110.7 | ||||
| 114 | T | 35.4 | Very low | 36.7 | Very low | 133 Ų | 133 | 161.5 Ų | 161.5 | 82% | 0.816 | 84% | 0.842 | S | S | * | * | trans | -89.8 | 166 | -156.7 | 52.7 | 0 | 0 | 0 | 0 | 116.2 | K116 | T114-K116 PolarHBondContact O-N 3.06Š| ||
| 115 | K | 36 | Very low | 36.7 | Very low | 211 Ų | 211 | 166.1 Ų | 166.1 | 92% | 0.917 | 85% | 0.85 | S | S | * | * | trans | -60.8 | 125.4 | -173.4 | -61.2 | 165.5 | -178.6 | 169.2 | 0 | 113.2 | ||||
| 116 | K | 37.7 | Very low | 37.1 | Very low | 200 Ų | 200 | 165.2 Ų | 165.2 | 87% | 0.87 | 84% | 0.841 | S | S | * | * | trans | -129.3 | 119.7 | 158.6 | -83.2 | -176.4 | 176.8 | 172.8 | 0 | 112 | T114 R118 | T114-K116 PolarHBondContact O-N 3.06Å; K116-R118 PolarHBondContact O-N 3.49Å | ||
| 117 | K | 34.4 | Very low | 37.2 | Very low | 218 Ų | 218 | 165.9 Ų | 165.9 | 95% | 0.948 | 84% | 0.839 | S | S | * | * | trans | -61.9 | 118.8 | 173.2 | -72.4 | 175.6 | 175.7 | 173 | 0 | 110 | ||||
| 118 | R | 35.5 | Very low | 37.7 | Very low | 238 Ų | 238 | 163.6 Ų | 163.6 | 90% | 0.898 | 84% | 0.839 | S | S | * | * | trans | -112.8 | 116 | 161.8 | -76.5 | -174.4 | 78 | 138.1 | -3.2 | 110.9 | K116 K120 | K116-R118 PolarHBondContact O-N 3.49Å; R118-K120 PolarHBondContact O-N 2.66Å | ||
| 119 | K | 35.1 | Very low | 37.9 | Very low | 205 Ų | 205 | 164 Ų | 164 | 89% | 0.891 | 84% | 0.838 | S | S | * | * | trans | -68.9 | 84 | -178.8 | -169.2 | 173.9 | -176.2 | 176.3 | 0 | 110 | R121 | K119-R121 PolarHBondContact O-N 2.85Š| ||
| 120 | K | 37.8 | Very low | 37.7 | Very low | 208 Ų | 208 | 168.6 Ų | 168.6 | 90% | 0.904 | 84% | 0.843 | S | S | * | * | trans | -70.3 | 92 | -175.9 | -161.1 | 168.5 | -178.4 | 175.6 | 0 | 110.3 | R118 R122 | R118-K120 PolarHBondContact O-N 2.66Å; K120-R122 PolarHBondContact O-N 3.09Å | ||
| 121 | R | 36 | Very low | 38.1 | Very low | 209 Ų | 209 | 165.8 Ų | 165.8 | 79% | 0.789 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 128.7 | 178.6 | -67.7 | 161.2 | 65.4 | 167.4 | -0.8 | 109.9 | K119 F123 | K119-R121 PolarHBondContact O-N 2.85Å; R121-F123 PolarHBondContact O-N 3.06Å |
| 122 | R | 39.3 | Very low | 38.2 | Very low | 239 Ų | 239 | 168.2 Ų | 168.2 | 90% | 0.902 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 117.9 | 159.8 | -90.1 | -176.7 | 170.7 | 169.5 | -3.2 | 107.3 | K120 L124 | K120-R122 PolarHBondContact O-N 3.09Å; R122-L124 PolarHBondContact O-N 3.01Å |
| 123 | F | 39.8 | Very low | 38.7 | Very low | 179 Ų | 179 | 172.7 Ų | 172.7 | 79% | 0.785 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 117.8 | 161.9 | -94.2 | -103.4 | 0 | 0 | 0 | 107.6 | R121 F125 | R121-F123 PolarHBondContact O-N 3.06Å; F123-F125 PolarHBondContact O-N 3.33Å |
| 124 | L | 37.4 | Very low | 39.1 | Very low | 137 Ų | 137 | 176 Ų | 176 | 72% | 0.717 | 84% | 0.844 | S | S | * | * | trans | -73.7 | 106.2 | 161.7 | -101.7 | 69.3 | 0 | 0 | 0 | 107 | R122 T126 | R122-L124 PolarHBondContact O-N 3.01Å; L124-T126 PolarHBondContact O-N 3.03Å | ||
| 125 | F | 39.4 | Very low | 39.6 | Very low | 198 Ų | 198 | 181.9 Ų | 181.9 | 87% | 0.868 | 85% | 0.852 | S | S | * | * | trans | -81.6 | 48.2 | 179.4 | -149.1 | -88.6 | 0 | 0 | 0 | 111 | F123 | F123-F125 PolarHBondContact O-N 3.33Š| ||
| 126 | T | 38.6 | Very low | 40 | Very low | 111 Ų | 111 | 182.7 Ų | 182.7 | 68% | 0.681 | 85% | 0.849 | S | S | * | * | trans | -141 | 45.9 | -165.7 | 60.4 | 0 | 0 | 0 | 0 | 112.2 | L124 | L124-T126 PolarHBondContact O-N 3.03Š| ||
| 127 | A | 40.6 | Very low | 40.5 | Very low | 89 Ų | 89 | 181.2 Ų | 181.2 | 74% | 0.736 | 85% | 0.849 | S | S | * | * | trans | -154.4 | 98 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 128 | P | 53.6 | Low | 40.9 | Very low | 121 Ų | 121 | 180.8 Ų | 180.8 | 79% | 0.786 | 85% | 0.847 | S | S | * | * | trans | -74.9 | 144.1 | 169.1 | 31.2 | -32.9 | 0 | 0 | 0 | 110.8 | ||||
| 129 | P | 38.3 | Very low | 41.2 | Very low | 129 Ų | 129 | 173.9 Ų | 173.9 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | trans | -71.6 | 149 | -179.4 | 29.4 | -34.7 | 0 | 0 | 0 | 112.6 | G131 | P129-G131 PolarHBondContact O-N 3.23Š| ||
| 130 | K | 36.5 | Very low | 41.3 | Very low | 216 Ų | 216 | 172.7 Ų | 172.7 | 94% | 0.939 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -77.5 | 108.3 | 178.7 | -61.4 | 177 | -178.8 | 178.5 | 0 | 110 | ||
| 131 | G | 38 | Very low | 41.5 | Very low | 67 Ų | 67 | 167 Ų | 167 | 69% | 0.691 | 83% | 0.83 | S | S | * | * | trans | -179.1 | 38.9 | -177 | 0 | 0 | 0 | 0 | 0 | 120.7 | P129 | P129-G131 PolarHBondContact O-N 3.23Š| ||
| 132 | S | 40.5 | Very low | 41.7 | Very low | 129 Ų | 129 | 164.6 Ų | 164.6 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | trans | -165.3 | 114.1 | 161.2 | -93 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 133 | K | 41.8 | Very low | 41.9 | Very low | 216 Ų | 216 | 160 Ų | 160 | 94% | 0.939 | 83% | 0.831 | S | S | * | * | trans | -154.8 | 40 | -179.2 | -155.1 | -178 | 180 | -176.1 | 0 | 113.5 | ||||
| 134 | R | 48.6 | Very low | 42.1 | Very low | 243 Ų | 243 | 160 Ų | 160 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | trans | -146.7 | 32.4 | -165 | -155 | -173.8 | 164.3 | -160.5 | -6.3 | 116.5 | ||||
| 135 | R | 47.2 | Very low | 42.4 | Very low | 257 Ų | 257 | 158 Ų | 158 | 97% | 0.97 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -141.2 | 11.7 | -176.8 | -108.7 | -173.8 | -178.1 | -168.9 | -0.1 | 118.1 | ||
| 136 | R | 43.3 | Very low | 42.6 | Very low | 227 Ų | 227 | 156.5 Ų | 156.5 | 86% | 0.857 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -131.8 | 54.9 | -178.3 | -159.6 | -179.9 | -172.9 | 171.5 | 4.8 | 113.1 | ||
| 137 | I | 49.3 | Very low | 42.4 | Very low | 169 Ų | 169 | 158.8 Ų | 158.8 | 87% | 0.867 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -141.8 | 36.2 | 176.5 | -39 | 177.8 | 0 | 0 | 0 | 109.7 | ||
| 138 | K | 42.3 | Very low | 42.3 | Very low | 209 Ų | 209 | 158.4 Ų | 158.4 | 91% | 0.909 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -158.6 | 52.4 | -179.3 | -164.4 | 152 | -177.7 | 169.4 | 0 | 112.7 | ||
| 139 | A | 41.2 | Very low | 41.9 | Very low | 94 Ų | 94 | 160.9 Ų | 160.9 | 78% | 0.777 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -146.2 | 7.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 140 | E | 38.3 | Very low | 42.2 | Very low | 180 Ų | 180 | 161.2 Ų | 161.2 | 84% | 0.841 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -118.8 | 56.9 | -173.7 | -70.3 | 165.1 | -150.8 | 0 | 0 | 108.8 | ||
| 141 | A | 41.4 | Very low | 42.2 | Very low | 87 Ų | 87 | 158 Ų | 158 | 72% | 0.719 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -168.2 | 75.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 142 | N | 39.3 | Very low | 42.1 | Very low | 160 Ų | 160 | 162.8 Ų | 162.8 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | trans | 174.2 | 162.6 | 154.5 | -94.3 | -9.5 | 0 | 0 | 0 | 110.3 | ||||
| 143 | V | 44.6 | Very low | 42 | Very low | 142 Ų | 142 | 161.6 Ų | 161.6 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | trans | 69.7 | 61.1 | 178.4 | -158.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 144 | E | 43.1 | Very low | 41.7 | Very low | 178 Ų | 178 | 161.3 Ų | 161.3 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | -72.2 | 172.5 | 140.9 | -165.1 | 72.2 | -135.6 | 0 | 0 | 108.8 | ||||
| 145 | S | 44.5 | Very low | 40.7 | Very low | 95 Ų | 95 | 155.3 Ų | 155.3 | 66% | 0.664 | 82% | 0.823 | S | S | * | * | trans | 57.9 | 108.7 | 172.2 | 59.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 146 | D | 44.3 | Very low | 40.3 | Very low | 167 Ų | 167 | 148.2 Ų | 148.2 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | -165.6 | 147.8 | 99.3 | -94.1 | -23.4 | 0 | 0 | 0 | 110.4 | |||||
| 147 | D | 34.7 | Very low | 39.9 | Very low | 160 Ų | 160 | 142 Ų | 142 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -140.3 | 153.4 | -164.6 | -150.1 | -19.9 | 0 | 0 | 0 | 113.6 | ||||
| 148 | A | 37 | Very low | 39.3 | Very low | 81 Ų | 81 | 143.4 Ų | 143.4 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | trans | 41.7 | 116.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 149 | L | 45.8 | Very low | 39 | Very low | 173 Ų | 173 | 141 Ų | 141 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | -166.6 | 166.8 | 137.4 | -113.8 | 170.5 | 0 | 0 | 0 | 115.1 | ||||
| 150 | V | 43.8 | Very low | 38.8 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | 82.2 | 110.7 | 171.6 | -168.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 151 | E | 38.1 | Very low | 38.6 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | trans | -132.8 | 162.6 | 162.2 | -155.9 | -134 | 158.3 | 0 | 0 | 109.1 | ||||
| 152 | K | 34 | Very low | 38.6 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 73% | 0.726 | 79% | 0.788 | S | S | * | * | trans | 59.8 | 107 | 167.8 | -75.5 | 172.7 | 176.5 | 67.9 | 0 | 120.6 | ||||
| 153 | A | 39.3 | Very low | 38.6 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -163.8 | 155.1 | 141.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 154 | K | 35.5 | Very low | 38.3 | Very low | 209 Ų | 209 | 140.7 Ų | 140.7 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | cis | -157 | 167.7 | -34.2 | -168.5 | 168 | 178.2 | 179 | 0 | 107.4 | ||||
| 155 | C | 28.5 | Very low | 38.2 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -93.3 | 180 | -165.4 | -158.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 156 | S | 37.1 | Very low | 37.9 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | 87.1 | 152.9 | 163.2 | 82.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 157 | S | 35.6 | Very low | 37.6 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | cis | -175.6 | 168.6 | -25.3 | 56.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 158 | K | 37.8 | Very low | 37.7 | Very low | 199 Ų | 199 | 136.5 Ų | 136.5 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | trans | 80 | 165.3 | 164.5 | -58.5 | 176.4 | 178.6 | -179.8 | 0 | 119.3 | ||||
| 159 | K | 34.2 | Very low | 37.9 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | 171.3 | 125.4 | -56.6 | 176.4 | 175 | -160.5 | -74 | 0 | 111.4 | D161 | K159-D161 IonicContact NZ-OD1 3.28Å; K159-D161 PolarHBondContact NZ-OD1 3.36Å; K159-D161 IonicContact NZ-OD2 2.79Å; K159-D161 PolarHBondContact NZ-OD2 3.15Å | |||
| 160 | S | 37.7 | Very low | 37.3 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -176.8 | 128.3 | 159.3 | 46.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 161 | D | 34.7 | Very low | 37.1 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 60% | 0.604 | 78% | 0.783 | S | S | * | * | cis | 90 | 143.8 | 31 | -56 | -50.2 | 0 | 0 | 0 | 114.8 | K159 | K159-D161 IonicContact NZ-OD1 3.28Å; K159-D161 PolarHBondContact NZ-OD1 3.36Å; K159-D161 IonicContact NZ-OD2 2.79Å; K159-D161 PolarHBondContact NZ-OD2 3.15Å | ||
| 162 | E | 41.5 | Very low | 37.1 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | 95.6 | 119.5 | -173.1 | -62.5 | 175 | -164.8 | 0 | 0 | 114.8 | ||||
| 163 | N | 38.9 | Very low | 37.3 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | 81.3 | 139.7 | 51.7 | -69.7 | -8.4 | 0 | 0 | 0 | 112.8 | |||||
| 164 | S | 38.8 | Very low | 37.4 | Very low | 101 Ų | 101 | 141.1 Ų | 141.1 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | cis | -167.8 | 170.9 | -9.2 | -92 | 0 | 0 | 0 | 0 | 111 | ||||
| 165 | A | 40.9 | Very low | 37.5 | Very low | 84 Ų | 84 | 139.3 Ų | 139.3 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | trans | 67.5 | 110.6 | 153 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 166 | D | 36.9 | Very low | 38.3 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 91% | 0.914 | 79% | 0.792 | S | S | * | * | 36.3 | 131.6 | 116.8 | -45.5 | -38.5 | 0 | 0 | 0 | 121.6 | |||||
| 167 | G | 38.4 | Very low | 38.4 | Very low | 83 Ų | 83 | 139 Ų | 139 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -166.1 | 100.5 | 167 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 168 | E | 36.9 | Very low | 38.6 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -105.5 | 130.4 | 177.2 | -175.5 | -174.3 | 148.6 | 0 | 0 | 110.5 | ||||
| 169 | S | 41.4 | Very low | 38.4 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -148.9 | 120.9 | 166.4 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 170 | N | 32.6 | Very low | 38.7 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -77 | 150 | 167.3 | -63.4 | -85.5 | 0 | 0 | 0 | 110 | ||||
| 171 | E | 40.8 | Very low | 38.7 | Very low | 201 Ų | 201 | 137.7 Ų | 137.7 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | trans | -147.5 | 158.4 | 137.3 | -77 | -147 | 143.7 | 0 | 0 | 110 | ||||
| 172 | T | 38.7 | Very low | 38.8 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | trans | -105.2 | 163.2 | -159.4 | 30.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 173 | P | 37.8 | Very low | 38.5 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -82.5 | 162.8 | -168.7 | 34 | -37.5 | 0 | 0 | 0 | 114.6 | ||||
| 174 | H | 40.4 | Very low | 38.1 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -98 | 146.1 | 176.1 | -120.3 | -77.3 | 0 | 0 | 0 | 112.9 | ||||
| 175 | E | 37.4 | Very low | 38 | Very low | 171 Ų | 171 | 142 Ų | 142 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -122.3 | 134.8 | -171.3 | 177.5 | 179.1 | -165.6 | 0 | 0 | 112.1 | ||||
| 176 | V | 45.9 | Very low | 37.9 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -166 | 125.9 | 160 | -94.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 177 | A | 40.2 | Very low | 37.9 | Very low | 83 Ų | 83 | 142.4 Ų | 142.4 | 69% | 0.686 | 80% | 0.803 | S | S | * | * | cis | 68.6 | 124.8 | 46.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 178 | E | 39.3 | Very low | 38.2 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | cis | -164.5 | 170.7 | -2.2 | -144 | 176.7 | -154.9 | 0 | 0 | 112.4 | ||||
| 179 | T | 32.7 | Very low | 38.5 | Very low | 130 Ų | 130 | 141 Ų | 141 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | trans | 75.1 | 135.2 | 158.5 | 62.5 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 180 | S | 39.7 | Very low | 38.8 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | 89.2 | 88.3 | 143.6 | -134.4 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 181 | T | 38.6 | Very low | 39.8 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | 68.4 | 146.7 | 129.7 | 50.2 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 182 | E | 36.8 | Very low | 41.4 | Very low | 186 Ų | 186 | 138 Ų | 138 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | 75.8 | 158.6 | 172 | -102.9 | -160.2 | 112.1 | 0 | 0 | 118.1 | ||||
| 183 | P | 36.2 | Very low | 43.4 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | -95.2 | 149.9 | -98.1 | 34.2 | -37.7 | 0 | 0 | 0 | 116.3 | |||
| 184 | R | 30.1 | Very low | 45.6 | Very low | 230 Ų | 230 | 133 Ų | 133 | 87% | 0.868 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 116.7 | -173.9 | -167.5 | -173.7 | -156.7 | -172 | 7.9 | 114.6 | ||
| 185 | P | 37.5 | Very low | 47.7 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 142.4 | 166 | 29.2 | -33.8 | 0 | 0 | 0 | 110.3 | S187 | P185-S187 VanDerWaalsContact C-N 3.32Å; P185-S187 PolarHBondContact O-N 2.86Å |
| 186 | L | 38.1 | Very low | 50.1 | Low | 157 Ų | 157 | 117.7 Ų | 117.7 | 82% | 0.822 | 67% | 0.672 | S | S | * | * | trans | -72.9 | 86.3 | 175.4 | -77.1 | 172.7 | 0 | 0 | 0 | 110.5 | Q188 | L186-Q188 PolarHBondContact O-N 2.82Š| ||
| 187 | S | 37.3 | Very low | 52.2 | Low | 106 Ų | 106 | 112.1 Ų | 112.1 | 74% | 0.741 | 64% | 0.637 | S | S | * | * | trans | -71.5 | 64.6 | 171.3 | 65.1 | 0 | 0 | 0 | 0 | 111.2 | P185 S189 | P185-S187 VanDerWaalsContact C-N 3.32Å; P185-S187 PolarHBondContact O-N 2.86Å; S187-S189 PolarHBondContact O-N 2.89Å | ||
| 188 | Q | 44.5 | Very low | 54.5 | Low | 124 Ų | 124 | 112.2 Ų | 112.2 | 58% | 0.579 | 63% | 0.626 | S | S | * | * | trans | -64.7 | 102.9 | 160.9 | -74.4 | -171.6 | -24.1 | 0 | 0 | 107.1 | L186 | L186-Q188 PolarHBondContact O-N 2.82Š| ||
| 189 | S | 42.8 | Very low | 56.9 | Low | 103 Ų | 103 | 104.3 Ų | 104.3 | 72% | 0.72 | 59% | 0.589 | S | S | * | * | trans | -55.4 | 156.9 | 169.7 | 53.5 | 0 | 0 | 0 | 0 | 109.6 | S187 A191 | S187-S189 PolarHBondContact O-N 2.89Å; S189-A191 PolarHBondContact O-N 2.83Å | ||
| 190 | K | 46.9 | Very low | 59.7 | Low | 211 Ų | 211 | 98.2 Ų | 98.2 | 92% | 0.917 | 55% | 0.551 | S | S | * | * | trans | -69.8 | 68.3 | -173.5 | -61.4 | 173.4 | -175.8 | 172 | 0 | 111.8 | ||||
| 191 | A | 55.2 | Low | 62.1 | Low | 74 Ų | 74 | 95.8 Ų | 95.8 | 61% | 0.612 | 53% | 0.531 | S | S | * | . | trans | -55.6 | 141.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | S189 F193 | S189-A191 PolarHBondContact O-N 2.83Å; A191-F193 PolarHBondContact O-N 2.99Å | ||
| 192 | A | 72.5 | Confident | 64.6 | Low | 103 Ų | 103 | 91.9 Ų | 91.9 | 85% | 0.851 | 50% | 0.502 | S | S | * | . | trans | -68.9 | 98.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | S194 | A192-S194 PolarHBondContact O-N 3.29Š| ||
| 193 | F | 80.8 | Confident | 67.2 | Low | 119 Ų | 119 | 83.1 Ų | 83.1 | 52% | 0.522 | 46% | 0.461 | S | S | . | . | trans | -49.6 | 132.6 | 179.2 | -70.9 | -73.9 | 0 | 0 | 0 | 111.1 | A191 Q197 L198 | A191-F193 PolarHBondContact O-N 2.99Å; F193-Q197 HydrophobicContact CB-CB 4.26Å; F193-Q197 HydrophobicContact CD1-CB 4.18Å; F193-L198 HydrophobicContact CB-CD1 4.46Å; F193-L198 HydrophobicContact CB-CD2 3.78Å; F193-L198 HydrophobicContact CB-CG 3.81Å; F193-L198 HydrophobicContact CD2-CD2 4.34Å; F193-L198 HydrophobicContact CG-CD2 4.3Å | ||
| 194 | S | 84.2 | Confident | 69.9 | Low | 34 Ų | 34 | 77.8 Ų | 77.8 | 24% | 0.238 | 43% | 0.427 | C | S | . | . | trans | -53.2 | 144.1 | 172.4 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | A192 L196 Q197 L198 | A192-S194 PolarHBondContact O-N 3.29Å; S194-L196 PolarHBondContact O-N 3.22Å; S194-L196 PolarHBondContact OG-N 2.94Å; S194-Q197 WeakPolarHBondContact O-CB 3.47Å; S194-Q197 PolarHBondContact O-N 3.36Å; S194-L198 PolarHBondContact O-N 3.44Å | ||
| 195 | P | 85.3 | Confident | 72.8 | Confident | 42 Ų | 42 | 73.5 Ų | 73.5 | 27% | 0.273 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -52.3 | -29.1 | 172.5 | -26.9 | 35.5 | 0 | 0 | 0 | 113 | L199 R305 V306 | P195-L199 PolarHBondContact O-N 3.04Å; P195-R305 HydrophobicContact CB-CB 4.29Å; P195-R305 HydrophobicContact CG-CB 4.07Å; P195-V306 HydrophobicContact CB-CG2 3.94Å |
| 196 | L | 87.5 | Confident | 75.4 | Confident | 6 Ų | 6 | 69.9 Ų | 69.9 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -72.7 | -47.3 | 172.7 | -178.7 | 130.1 | 0 | 0 | 0 | 112.1 | S194 L198 L199 L200 Y246 V306 Q310 | S194-L196 PolarHBondContact O-N 3.22Å; S194-L196 PolarHBondContact OG-N 2.94Å; L196-L198 VanDerWaalsContact C-N 3.26Å; L196-L198 PolarHBondContact O-N 3.32Å; L196-L199 WeakPolarHBondContact O-CA 3.49Å; L196-L199 WeakPolarHBondContact O-CB 3.49Å; L196-L199 PolarHBondContact O-N 3.28Å; L196-L200 HydrophobicContact CD2-CD1 3.55Å; L196-L200 HydrophobicContact CD2-CG 4.21Å; L196-L200 HydrophobicContact CG-CD1 4.25Å; L196-L200 HydrophobicContact CG-CG 4.38Å; L196-L200 WeakPolarHBondContact O-CG 3.35Å; L196-L200 PolarHBondContact O-N 2.94Å; L196-Y246 WeakPolarHBondContact CD2-O 3.27Å; L196-V306 HydrophobicContact CB-CG2 4.42Å; L196-V306 HydrophobicContact CD1-CG1 4.42Å; L196-Q310 HydrophobicContact CD1-CB 3.71Å; L196-Q310 HydrophobicContact CD1-CG 3.92Å |
| 197 | Q | 90.8 | Very high | 78.1 | Confident | 19 Ų | 19 | 62.4 Ų | 62.4 | 9% | 0.089 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56 | -41.8 | 174.6 | -70.7 | 173.5 | -54.7 | 0 | 0 | 112 | F193 S194 L199 L200 D201 I241 D244 | F193-Q197 HydrophobicContact CB-CB 4.26Å; F193-Q197 HydrophobicContact CD1-CB 4.18Å; S194-Q197 WeakPolarHBondContact O-CB 3.47Å; S194-Q197 PolarHBondContact O-N 3.36Å; Q197-L199 VanDerWaalsContact C-N 3.31Å; Q197-L199 PolarHBondContact O-N 3.21Å; Q197-L200 PolarHBondContact O-N 3.43Å; Q197-D201 WeakPolarHBondContact O-CB 3.2Å; Q197-D201 PolarHBondContact O-N 3.17Å; Q197-I241 HydrophobicContact CB-CG2 4.17Å; Q197-I241 HydrophobicContact CG-CG2 4.39Å; Q197-I241 PolarHBondContact NE2-O 3.1Å; Q197-D244 WeakPolarHBondContact CG-OD1 3.33Å |
| 198 | L | 88.1 | Confident | 80.7 | Confident | 86 Ų | 86 | 59.5 Ų | 59.5 | 45% | 0.45 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.5 | -34.3 | 175.3 | -67.1 | 173.5 | 0 | 0 | 0 | 112.7 | F193 S194 L196 F202 | F193-L198 HydrophobicContact CB-CD1 4.46Å; F193-L198 HydrophobicContact CB-CD2 3.78Å; F193-L198 HydrophobicContact CB-CG 3.81Å; F193-L198 HydrophobicContact CD2-CD2 4.34Å; F193-L198 HydrophobicContact CG-CD2 4.3Å; S194-L198 PolarHBondContact O-N 3.44Å; L196-L198 VanDerWaalsContact C-N 3.26Å; L196-L198 PolarHBondContact O-N 3.32Å; L198-F202 WeakPolarHBondContact O-CB 3.39Å; L198-F202 PolarHBondContact O-N 2.86Å; L198-F202 VanDerWaalsContact O-N 3.1Å |
| 199 | L | 88.9 | Confident | 82.9 | Confident | 6 Ų | 6 | 61.9 Ų | 61.9 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69 | -45.1 | 172.4 | -176.1 | 63.7 | 0 | 0 | 0 | 111.7 | P195 L196 Q197 F202 Y203 L249 L300 M303 L311 | P195-L199 PolarHBondContact O-N 3.04Å; L196-L199 WeakPolarHBondContact O-CA 3.49Å; L196-L199 WeakPolarHBondContact O-CB 3.49Å; L196-L199 PolarHBondContact O-N 3.28Å; Q197-L199 VanDerWaalsContact C-N 3.31Å; Q197-L199 PolarHBondContact O-N 3.21Å; L199-F202 WeakPolarHBondContact O-CB 3.41Å; L199-F202 PolarHBondContact O-N 3.11Å; L199-Y203 HydrophobicContact CD1-CD2 4Å; L199-Y203 HydrophobicContact CD1-CE2 3.79Å; L199-Y203 HydrophobicContact CG-CD2 4.19Å; L199-Y203 HydrophobicContact CG-CE2 4.21Å; L199-Y203 WeakPolarHBondContact O-CD2 3.25Å; L199-Y203 PolarHBondContact O-N 3.07Å; L199-L249 HydrophobicContact CD2-CD2 4.42Å; L199-L300 HydrophobicContact CD1-CD1 3.77Å; L199-M303 HydrophobicContact CB-CE 3.87Å; L199-M303 HydrophobicContact CB-SD 3.82Å; L199-M303 HydrophobicContact CD1-CE 3.97Å; L199-M303 HydrophobicContact CD1-SD 3.85Å; L199-M303 HydrophobicContact CD2-SD 3.85Å; L199-M303 HydrophobicContact CG-CE 4.42Å; L199-M303 HydrophobicContact CG-SD 4.04Å; L199-L311 HydrophobicContact CD2-CD1 4.09Å |
| 200 | L | 91.5 | Very high | 85.2 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.5 | -43.7 | -179.1 | -61.5 | 174.5 | 0 | 0 | 0 | 111.5 | L196 Q197 Y203 V204 I241 Y246 L249 L252 | L196-L200 HydrophobicContact CD2-CD1 3.55Å; L196-L200 HydrophobicContact CD2-CG 4.21Å; L196-L200 HydrophobicContact CG-CD1 4.25Å; L196-L200 HydrophobicContact CG-CG 4.38Å; L196-L200 WeakPolarHBondContact O-CG 3.35Å; L196-L200 PolarHBondContact O-N 2.94Å; Q197-L200 PolarHBondContact O-N 3.43Å; L200-Y203 WeakPolarHBondContact O-CB 3.33Å; L200-Y203 PolarHBondContact O-N 3.2Å; L200-V204 WeakPolarHBondContact O-CG2 3.18Å; L200-V204 PolarHBondContact O-N 3.01Å; L200-I241 HydrophobicContact CB-CD1 3.75Å; L200-I241 HydrophobicContact CB-CG1 3.87Å; L200-I241 HydrophobicContact CB-CG2 4.33Å; L200-I241 HydrophobicContact CD1-CG1 4.3Å; L200-Y246 VanDerWaalsContact CD1-CB 3.45Å; L200-Y246 HydrophobicContact CD1-CD2 3.83Å; L200-Y246 HydrophobicContact CD1-CG 3.94Å; L200-L249 HydrophobicContact CD2-CD1 3.58Å; L200-L252 HydrophobicContact CB-CD2 4.17Å; L200-L252 HydrophobicContact CD2-CB 3.88Å; L200-L252 HydrophobicContact CD2-CD2 3.52Å; L200-L252 HydrophobicContact CD2-CG 4.28Å; L200-L252 HydrophobicContact CG-CD2 4.43Å |
| 201 | D | 90.6 | Very high | 87.3 | Confident | 51 Ų | 51 | 52.4 Ų | 52.4 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 173 | 162.4 | 67 | 0 | 0 | 0 | 111.6 | Q197 Y203 V204 R205 | Q197-D201 WeakPolarHBondContact O-CB 3.2Å; Q197-D201 PolarHBondContact O-N 3.17Å; D201-Y203 VanDerWaalsContact C-N 3.34Å; D201-Y203 PolarHBondContact O-N 3.27Å; D201-V204 PolarHBondContact O-N 3.46Å; D201-R205 VanDerWaalsContact CG-NE 3.35Å; D201-R205 WeakPolarHBondContact O-CB 3.43Å; D201-R205 WeakPolarHBondContact O-CG 3.47Å; D201-R205 PolarHBondContact O-N 2.91Å; D201-R205 IonicContact OD1-NE 3.06Å; D201-R205 PolarHBondContact OD1-NE 2.87Å; D201-R205 IonicContact OD2-CZ 2.7Å; D201-R205 IonicContact OD2-NE 2.66Å; D201-R205 PolarHBondContact OD2-NE 2.92Å; D201-R205 IonicContact OD2-NH2 2.89Å; D201-R205 PolarHBondContact OD2-NH2 3.12Å |
| 202 | F | 90.5 | Very high | 88.9 | Confident | 52 Ų | 52 | 53.7 Ų | 53.7 | 23% | 0.228 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.6 | -43.8 | 171.5 | 171.8 | -92.1 | 0 | 0 | 0 | 112 | L198 L199 R205 V206 L296 L300 | L198-F202 WeakPolarHBondContact O-CB 3.39Å; L198-F202 PolarHBondContact O-N 2.86Å; L198-F202 VanDerWaalsContact O-N 3.1Å; L199-F202 WeakPolarHBondContact O-CB 3.41Å; L199-F202 PolarHBondContact O-N 3.11Å; F202-R205 PolarHBondContact O-N 3.37Å; F202-V206 HydrophobicContact CD1-CG2 4.46Å; F202-V206 HydrophobicContact CE1-CG2 3.99Å; F202-V206 HydrophobicContact CE2-CG2 4.2Å; F202-V206 HydrophobicContact CZ-CG2 3.86Å; F202-V206 WeakPolarHBondContact O-CG2 3.26Å; F202-V206 PolarHBondContact O-N 3.48Å; F202-L296 HydrophobicContact CE1-CD1 4.1Å; F202-L296 HydrophobicContact CE1-CD2 3.67Å; F202-L296 HydrophobicContact CZ-CD2 3.92Å; F202-L300 HydrophobicContact CD1-CD1 4.09Å; F202-L300 HydrophobicContact CD2-CD2 4.43Å; F202-L300 HydrophobicContact CE1-CD1 4.33Å; F202-L300 HydrophobicContact CE2-CD2 4.37Å; F202-L300 HydrophobicContact CG-CD1 4.34Å |
| 203 | Y | 92.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.3 | -49 | 175.1 | -93.7 | -115.8 | 0 | 0 | 0 | 111.2 | L199 L200 D201 R205 V206 F207 L249 M287 F288 M293 L296 | L199-Y203 HydrophobicContact CD1-CD2 4Å; L199-Y203 HydrophobicContact CD1-CE2 3.79Å; L199-Y203 HydrophobicContact CG-CD2 4.19Å; L199-Y203 HydrophobicContact CG-CE2 4.21Å; L199-Y203 WeakPolarHBondContact O-CD2 3.25Å; L199-Y203 PolarHBondContact O-N 3.07Å; L200-Y203 WeakPolarHBondContact O-CB 3.33Å; L200-Y203 PolarHBondContact O-N 3.2Å; D201-Y203 VanDerWaalsContact C-N 3.34Å; D201-Y203 PolarHBondContact O-N 3.27Å; Y203-R205 PolarHBondContact O-N 3.02Å; Y203-V206 WeakPolarHBondContact O-CB 3.26Å; Y203-V206 PolarHBondContact O-N 3.33Å; Y203-V206 VanDerWaalsContact O-N 3.14Å; Y203-F207 AromaticContact CD1-CE2 3.98Å; Y203-F207 HydrophobicContact CD1-CE2 3.98Å; Y203-F207 WeakPolarHBondContact O-CD2 3.45Å; Y203-F207 PolarHBondContact O-N 3.23Å; Y203-L249 HydrophobicContact CD1-CD1 4.24Å; Y203-L249 HydrophobicContact CE1-CD1 4.35Å; Y203-L249 HydrophobicContact CE1-CD2 4.28Å; Y203-L249 HydrophobicContact CE2-CD2 4.4Å; Y203-L249 HydrophobicContact CG-CD1 4.39Å; Y203-M287 HydrophobicContact CD1-CE 4.47Å; Y203-M287 HydrophobicContact CE1-CB 4.13Å; Y203-M287 HydrophobicContact CE1-CE 4.25Å; Y203-M287 WeakPolarHBondContact CE1-O 3.48Å; Y203-M287 PolarHBondContact OH-O 3.14Å; Y203-F288 HydrophobicContact CD1-CD1 4.45Å; Y203-F288 AromaticContact CD1-CE1 3.85Å; Y203-F288 HydrophobicContact CD1-CE1 3.85Å; Y203-F288 HydrophobicContact CD1-CE2 4.17Å; Y203-F288 AromaticContact CD1-CZ 3.69Å; Y203-F288 HydrophobicContact CD1-CZ 3.69Å; Y203-F288 AromaticContact CE1-CD1 3.95Å; Y203-F288 HydrophobicContact CE1-CD1 3.95Å; Y203-F288 HydrophobicContact CE1-CD2 4.47Å; Y203-F288 AromaticContact CE1-CE1 3.81Å; Y203-F288 HydrophobicContact CE1-CE1 3.81Å; Y203-F288 HydrophobicContact CE1-CE2 4.33Å; Y203-F288 HydrophobicContact CE1-CG 4.29Å; Y203-F288 HydrophobicContact CE1-CZ 4Å; Y203-M293 WeakPolarHBondContact OH-CG 3.44Å; Y203-L296 HydrophobicContact CE2-CD1 3.71Å; Y203-L296 WeakPolarHBondContact OH-CD1 3.48Å |
| 204 | V | 92.5 | Very high | 90 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 177.7 | 167.6 | 0 | 0 | 0 | 0 | 112.1 | L200 D201 V206 F207 L208 F234 I237 Q238 I241 L252 | L200-V204 WeakPolarHBondContact O-CG2 3.18Å; L200-V204 PolarHBondContact O-N 3.01Å; D201-V204 PolarHBondContact O-N 3.46Å; V204-V206 VanDerWaalsContact C-N 3.29Å; V204-V206 PolarHBondContact O-N 3.39Å; V204-F207 PolarHBondContact O-N 2.92Å; V204-F207 VanDerWaalsContact O-N 3.12Å; V204-L208 HydrophobicContact CG1-CD1 3.82Å; V204-L208 HydrophobicContact CG1-CG 4.33Å; V204-L208 WeakPolarHBondContact O-CG 3.41Å; V204-L208 PolarHBondContact O-N 3.15Å; V204-F234 HydrophobicContact CG1-CD1 4.15Å; V204-I237 HydrophobicContact CG2-CG2 3.68Å; V204-Q238 HydrophobicContact CG1-CG 4.08Å; V204-I241 HydrophobicContact CB-CD1 4.42Å; V204-I241 HydrophobicContact CG2-CD1 3.63Å; V204-L252 HydrophobicContact CG2-CD1 4.22Å |
| 205 | R | 91.6 | Very high | 90.1 | Very high | 139 Ų | 139 | 52.5 Ų | 52.5 | 53% | 0.525 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.4 | -34.1 | 175.2 | -74.6 | -172.7 | -76.9 | 136.3 | -3.9 | 112.7 | D201 F202 Y203 K209 | D201-R205 VanDerWaalsContact CG-NE 3.35Å; D201-R205 WeakPolarHBondContact O-CB 3.43Å; D201-R205 WeakPolarHBondContact O-CG 3.47Å; D201-R205 PolarHBondContact O-N 2.91Å; D201-R205 IonicContact OD1-NE 3.06Å; D201-R205 PolarHBondContact OD1-NE 2.87Å; D201-R205 IonicContact OD2-CZ 2.7Å; D201-R205 IonicContact OD2-NE 2.66Å; D201-R205 PolarHBondContact OD2-NE 2.92Å; D201-R205 IonicContact OD2-NH2 2.89Å; D201-R205 PolarHBondContact OD2-NH2 3.12Å; F202-R205 PolarHBondContact O-N 3.37Å; Y203-R205 PolarHBondContact O-N 3.02Å; R205-K209 WeakPolarHBondContact O-CB 3.37Å; R205-K209 PolarHBondContact O-N 3.46Å |
| 206 | V | 91.9 | Very high | 90.2 | Very high | 33 Ų | 33 | 50.7 Ų | 50.7 | 20% | 0.2 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.2 | -41.8 | 171.8 | 171 | 0 | 0 | 0 | 0 | 111.3 | F202 Y203 V204 K209 K210 M287 | F202-V206 HydrophobicContact CD1-CG2 4.46Å; F202-V206 HydrophobicContact CE1-CG2 3.99Å; F202-V206 HydrophobicContact CE2-CG2 4.2Å; F202-V206 HydrophobicContact CZ-CG2 3.86Å; F202-V206 WeakPolarHBondContact O-CG2 3.26Å; F202-V206 PolarHBondContact O-N 3.48Å; Y203-V206 WeakPolarHBondContact O-CB 3.26Å; Y203-V206 PolarHBondContact O-N 3.33Å; Y203-V206 VanDerWaalsContact O-N 3.14Å; V204-V206 VanDerWaalsContact C-N 3.29Å; V204-V206 PolarHBondContact O-N 3.39Å; V206-K209 PolarHBondContact O-N 3.28Å; V206-K210 VanDerWaalsContact O-CG 3.26Å; V206-K210 WeakPolarHBondContact O-CG 3.48Å; V206-K210 PolarHBondContact O-N 3.27Å; V206-M287 HydrophobicContact CB-CE 4.29Å; V206-M287 HydrophobicContact CG1-CE 3.82Å; V206-M287 HydrophobicContact CG1-SD 4.12Å; V206-M287 HydrophobicContact CG2-CE 4.45Å |
| 207 | F | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.5 | -45.5 | 179.8 | -78.8 | -61 | 0 | 0 | 0 | 113.3 | Y203 V204 K209 K210 D211 F234 L256 F280 V283 I284 M287 F288 | Y203-F207 AromaticContact CD1-CE2 3.98Å; Y203-F207 HydrophobicContact CD1-CE2 3.98Å; Y203-F207 WeakPolarHBondContact O-CD2 3.45Å; Y203-F207 PolarHBondContact O-N 3.23Å; V204-F207 PolarHBondContact O-N 2.92Å; V204-F207 VanDerWaalsContact O-N 3.12Å; F207-K209 VanDerWaalsContact C-N 3.28Å; F207-K209 PolarHBondContact O-N 3.27Å; F207-K210 CarbonylContact O-C 3.6Å; F207-K210 WeakPolarHBondContact O-CA 3.42Å; F207-K210 WeakPolarHBondContact O-CB 3.3Å; F207-K210 PolarHBondContact O-N 3.32Å; F207-D211 PolarHBondContact O-N 3.48Å; F207-F234 HydrophobicContact CB-CE1 4Å; F207-F234 HydrophobicContact CB-CZ 4.24Å; F207-L256 HydrophobicContact CD2-CD1 3.57Å; F207-L256 HydrophobicContact CD2-CD2 4.24Å; F207-L256 HydrophobicContact CE2-CD1 3.38Å; F207-L256 HydrophobicContact CG-CD1 4.37Å; F207-L256 HydrophobicContact CG-CD2 4.44Å; F207-L256 HydrophobicContact CZ-CD1 4.04Å; F207-F280 HydrophobicContact CB-CZ 3.94Å; F207-F280 HydrophobicContact CD1-CE1 4.03Å; F207-F280 HydrophobicContact CD1-CE2 4.26Å; F207-F280 AromaticContact CD1-CZ 3.67Å; F207-F280 HydrophobicContact CD1-CZ 3.67Å; F207-F280 HydrophobicContact CG-CZ 4.14Å; F207-V283 HydrophobicContact CD1-CG1 4.35Å; F207-V283 HydrophobicContact CE1-CG1 3.99Å; F207-I284 HydrophobicContact CD1-CG1 4.36Å; F207-I284 HydrophobicContact CE1-CB 4.31Å; F207-I284 HydrophobicContact CE1-CG1 3.58Å; F207-I284 HydrophobicContact CZ-CB 4.43Å; F207-I284 HydrophobicContact CZ-CG1 3.95Å; F207-M287 HydrophobicContact CE1-CG 4.47Å; F207-M287 HydrophobicContact CZ-CB 3.85Å; F207-M287 HydrophobicContact CZ-CG 4.19Å; F207-F288 AromaticContact CE2-CE2 3.7Å; F207-F288 HydrophobicContact CE2-CE2 3.7Å; F207-F288 HydrophobicContact CE2-CZ 4.15Å; F207-F288 HydrophobicContact CZ-CD2 4.24Å; F207-F288 AromaticContact CZ-CE2 3.62Å; F207-F288 HydrophobicContact CZ-CE2 3.62Å |
| 208 | L | 92.1 | Very high | 89.6 | Confident | 45 Ų | 45 | 58 Ų | 58 | 24% | 0.236 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57 | -41.9 | 173.3 | -70.7 | 167.4 | 0 | 0 | 0 | 111.3 | V204 K210 D211 T217 F234 | V204-L208 HydrophobicContact CG1-CD1 3.82Å; V204-L208 HydrophobicContact CG1-CG 4.33Å; V204-L208 WeakPolarHBondContact O-CG 3.41Å; V204-L208 PolarHBondContact O-N 3.15Å; L208-K210 PolarHBondContact O-N 3.21Å; L208-K210 VanDerWaalsContact O-N 3.13Å; L208-D211 PolarHBondContact O-N 3.11Å; L208-D211 VanDerWaalsContact O-N 3.12Å; L208-T217 HydrophobicContact CD2-CG2 3.77Å; L208-F234 HydrophobicContact CD2-CB 3.96Å; L208-F234 HydrophobicContact CD2-CD1 3.86Å; L208-F234 HydrophobicContact CD2-CD2 4.11Å; L208-F234 HydrophobicContact CD2-CE1 4.47Å; L208-F234 HydrophobicContact CD2-CG 3.67Å; L208-F234 HydrophobicContact CG-CD1 4.07Å; L208-F234 HydrophobicContact CG-CG 4.39Å |
| 209 | K | 92 | Very high | 89 | Confident | 175 Ų | 175 | 59 Ų | 59 | 76% | 0.761 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -8.7 | 174.9 | -170.6 | 168.8 | -179 | 176.9 | 0 | 114.1 | R205 V206 F207 | R205-K209 WeakPolarHBondContact O-CB 3.37Å; R205-K209 PolarHBondContact O-N 3.46Å; V206-K209 PolarHBondContact O-N 3.28Å; F207-K209 VanDerWaalsContact C-N 3.28Å; F207-K209 PolarHBondContact O-N 3.27Å |
| 210 | K | 90.7 | Very high | 88.3 | Confident | 108 Ų | 108 | 60.4 Ų | 60.4 | 47% | 0.47 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -0.2 | 175.3 | -63.2 | -74 | -178.2 | -177 | 0 | 112.9 | V206 F207 L208 P212 V283 | V206-K210 VanDerWaalsContact O-CG 3.26Å; V206-K210 WeakPolarHBondContact O-CG 3.48Å; V206-K210 PolarHBondContact O-N 3.27Å; F207-K210 CarbonylContact O-C 3.6Å; F207-K210 WeakPolarHBondContact O-CA 3.42Å; F207-K210 WeakPolarHBondContact O-CB 3.3Å; F207-K210 PolarHBondContact O-N 3.32Å; L208-K210 PolarHBondContact O-N 3.21Å; L208-K210 VanDerWaalsContact O-N 3.13Å; K210-P212 WeakPolarHBondContact O-CD 3.48Å; K210-V283 HydrophobicContact CB-CG1 4.43Å; K210-V283 HydrophobicContact CG-CG1 4.13Å |
| 211 | D | 90.4 | Very high | 87.5 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 3% | 0.032 | 32% | 0.323 | C | S | . | . | trans | -116 | 63.7 | 171.7 | -176 | 33.4 | 0 | 0 | 0 | 111.2 | F207 L208 D213 C214 Y215 F216 T217 F280 | F207-D211 PolarHBondContact O-N 3.48Å; L208-D211 PolarHBondContact O-N 3.11Å; L208-D211 VanDerWaalsContact O-N 3.12Å; D211-D213 VanDerWaalsContact C-N 3.26Å; D211-D213 PolarHBondContact O-N 3.26Å; D211-C214 PolarHBondContact O-N 3.07Å; D211-C214 VanDerWaalsContact O-N 3.1Å; D211-C214 PolarHBondContact OD1-N 3.15Å; D211-C214 VanDerWaalsContact OD2-CA 3.24Å; D211-C214 WeakPolarHBondContact OD2-CA 3.26Å; D211-Y215 PolarHBondContact OD1-N 2.9Å; D211-Y215 PolarHBondContact OD2-N 3Å; D211-F216 HydrophobicContact CB-CD2 4.24Å; D211-F216 PolarHBondContact OD2-N 3.5Å; D211-T217 PolarHBondContact OD2-N 2.82Å; D211-T217 PolarHBondContact OD2-OG1 2.81Å; D211-F280 HydrophobicContact CB-CE2 4.15Å | ||
| 212 | P | 88.1 | Confident | 86.7 | Confident | 102 Ų | 102 | 67.6 Ų | 67.6 | 66% | 0.662 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -31.6 | -175.6 | 28.6 | -35.9 | 0 | 0 | 0 | 112.9 | K210 C214 | K210-P212 WeakPolarHBondContact O-CD 3.48Å; P212-C214 PolarHBondContact O-N 3.28Å |
| 213 | D | 87.4 | Confident | 85.9 | Confident | 111 Ų | 111 | 70.5 Ų | 70.5 | 59% | 0.594 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -0.7 | 179.5 | -51.6 | -36.2 | 0 | 0 | 0 | 112 | D211 Y215 | D211-D213 VanDerWaalsContact C-N 3.26Å; D211-D213 PolarHBondContact O-N 3.26Å; D213-Y215 VanDerWaalsContact C-N 3.32Å; D213-Y215 HydrophobicContact CB-CD2 3.73Å; D213-Y215 HydrophobicContact CB-CE2 3.35Å; D213-Y215 PolarHBondContact O-N 3.34Å; D213-Y215 VanDerWaalsContact OD2-CE2 3.25Å; D213-Y215 WeakPolarHBondContact OD2-CE2 3.39Å |
| 214 | C | 89.3 | Confident | 85 | Confident | 61 Ų | 61 | 71.8 Ų | 71.8 | 41% | 0.412 | 37% | 0.367 | S | S | . | . | trans | 59.5 | 28.3 | 177.7 | -60.8 | 0 | 0 | 0 | 0 | 115.6 | D211 P212 F216 T217 K218 | D211-C214 PolarHBondContact O-N 3.07Å; D211-C214 VanDerWaalsContact O-N 3.1Å; D211-C214 PolarHBondContact OD1-N 3.15Å; D211-C214 VanDerWaalsContact OD2-CA 3.24Å; D211-C214 WeakPolarHBondContact OD2-CA 3.26Å; P212-C214 PolarHBondContact O-N 3.28Å; C214-F216 PolarHBondContact O-N 3.13Å; C214-F216 VanDerWaalsContact O-N 3.14Å; C214-T217 PolarHBondContact O-N 2.9Å; C214-K218 WeakPolarHBondContact O-CB 3.22Å; C214-K218 PolarHBondContact O-N 3.01Å | ||
| 215 | Y | 86.7 | Confident | 83.8 | Confident | 58 Ų | 58 | 73.9 Ų | 73.9 | 23% | 0.227 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -28.6 | -179.7 | -67 | -71.9 | 0 | 0 | 0 | 113.6 | D211 D213 E272 Y273 A276 | D211-Y215 PolarHBondContact OD1-N 2.9Å; D211-Y215 PolarHBondContact OD2-N 3Å; D213-Y215 VanDerWaalsContact C-N 3.32Å; D213-Y215 HydrophobicContact CB-CD2 3.73Å; D213-Y215 HydrophobicContact CB-CE2 3.35Å; D213-Y215 PolarHBondContact O-N 3.34Å; D213-Y215 VanDerWaalsContact OD2-CE2 3.25Å; D213-Y215 WeakPolarHBondContact OD2-CE2 3.39Å; Y215-E272 HydrophobicContact CE1-CB 4.22Å; Y215-Y273 AromaticContact CD1-CD1 3.76Å; Y215-Y273 HydrophobicContact CD1-CD1 3.76Å; Y215-Y273 AromaticContact CD1-CE1 3.77Å; Y215-Y273 HydrophobicContact CD1-CE1 3.77Å; Y215-Y273 HydrophobicContact CD1-CG 4.32Å; Y215-Y273 HydrophobicContact CG-CD1 4.35Å; Y215-Y273 HydrophobicContact CG-CE1 4.48Å; Y215-A276 HydrophobicContact CD1-CB 4.37Å; Y215-A276 HydrophobicContact CD2-CB 3.48Å; Y215-A276 VanDerWaalsContact CD2-CB 3.48Å; Y215-A276 HydrophobicContact CE2-CB 3.81Å; Y215-A276 HydrophobicContact CG-CB 3.8Å |
| 216 | F | 87.3 | Confident | 82.9 | Confident | 5 Ų | 5 | 74.1 Ų | 74.1 | 2% | 0.022 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -8 | -179.3 | -50.4 | -75.8 | 0 | 0 | 0 | 112.8 | D211 C214 F234 V259 V260 V263 A276 A277 F280 | D211-F216 HydrophobicContact CB-CD2 4.24Å; D211-F216 PolarHBondContact OD2-N 3.5Å; C214-F216 PolarHBondContact O-N 3.13Å; C214-F216 VanDerWaalsContact O-N 3.14Å; F216-F234 HydrophobicContact CB-CD2 4.41Å; F216-F234 HydrophobicContact CB-CE2 3.75Å; F216-F234 WeakPolarHBondContact O-CD2 3.34Å; F216-V259 HydrophobicContact CB-CG1 3.9Å; F216-V259 HydrophobicContact CD1-CG1 4.33Å; F216-V260 HydrophobicContact CD1-CG2 4.27Å; F216-V260 HydrophobicContact CE1-CB 4.48Å; F216-V260 HydrophobicContact CE1-CG1 4.39Å; F216-V260 HydrophobicContact CE1-CG2 4.07Å; F216-V263 HydrophobicContact CD1-CB 4.03Å; F216-V263 HydrophobicContact CD1-CG1 4.04Å; F216-V263 HydrophobicContact CD1-CG2 3.98Å; F216-V263 HydrophobicContact CE1-CB 4.24Å; F216-V263 HydrophobicContact CE1-CG1 4.01Å; F216-A276 HydrophobicContact CE2-CB 4.21Å; F216-A276 HydrophobicContact CZ-CB 4.04Å; F216-A277 HydrophobicContact CE1-CB 4.44Å; F216-A277 HydrophobicContact CZ-CB 4.32Å; F216-F280 HydrophobicContact CD2-CD1 4.47Å; F216-F280 AromaticContact CD2-CD2 3.86Å; F216-F280 HydrophobicContact CD2-CD2 3.86Å; F216-F280 HydrophobicContact CD2-CE2 4.11Å; F216-F280 HydrophobicContact CD2-CG 4.04Å; F216-F280 HydrophobicContact CE2-CB 3.76Å; F216-F280 HydrophobicContact CE2-CD1 4.44Å; F216-F280 AromaticContact CE2-CD2 3.76Å; F216-F280 HydrophobicContact CE2-CD2 3.76Å; F216-F280 HydrophobicContact CE2-CE2 4.47Å; F216-F280 AromaticContact CE2-CG 3.73Å; F216-F280 HydrophobicContact CE2-CG 3.73Å; F216-F280 HydrophobicContact CZ-CB 3.94Å; F216-F280 HydrophobicContact CZ-CG 4.25Å |
| 217 | T | 86.8 | Confident | 81.9 | Confident | 55 Ų | 55 | 77 Ų | 77 | 34% | 0.337 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -16.2 | -176.7 | -47 | 0 | 0 | 0 | 0 | 112.1 | L208 D211 C214 | L208-T217 HydrophobicContact CD2-CG2 3.77Å; D211-T217 PolarHBondContact OD2-N 2.82Å; D211-T217 PolarHBondContact OD2-OG1 2.81Å; C214-T217 PolarHBondContact O-N 2.9Å |
| 218 | K | 79.9 | Confident | 81 | Confident | 123 Ų | 123 | 77.4 Ų | 77.4 | 54% | 0.535 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -61.8 | 131.3 | 174 | -176.2 | -176.2 | 178.5 | -171.4 | 0 | 110.8 | C214 | C214-K218 WeakPolarHBondContact O-CB 3.22Å; C214-K218 PolarHBondContact O-N 3.01Å |
| 219 | P | 75.6 | Confident | 80 | Confident | 107 Ų | 107 | 82 Ų | 82 | 70% | 0.695 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 145.4 | 177.9 | 28.2 | -35.4 | 0 | 0 | 0 | 111.7 | ||
| 220 | F | 72.9 | Confident | 79.2 | Confident | 36 Ų | 36 | 78.4 Ų | 78.4 | 16% | 0.158 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 142.4 | 172.7 | -73.8 | -53 | 0 | 0 | 0 | 112.4 | D224 I228 D233 N262 L266 | F220-D224 HydrophobicContact CB-CB 4.09Å; F220-D224 HydrophobicContact CD1-CB 3.83Å; F220-D224 HydrophobicContact CG-CB 4.28Å; F220-I228 HydrophobicContact CD1-CD1 4.12Å; F220-I228 HydrophobicContact CE1-CD1 3.45Å; F220-I228 VanDerWaalsContact CE1-CD1 3.45Å; F220-I228 HydrophobicContact CE2-CD1 4.21Å; F220-I228 HydrophobicContact CZ-CD1 3.52Å; F220-D233 WeakPolarHBondContact CD2-OD2 3.38Å; F220-D233 WeakPolarHBondContact CE2-OD1 3.38Å; F220-N262 HydrophobicContact CZ-CB 4.21Å; F220-L266 HydrophobicContact CD1-CD2 3.86Å; F220-L266 HydrophobicContact CE1-CD2 3.85Å |
| 221 | S | 76.2 | Confident | 78.6 | Confident | 58 Ų | 58 | 78 Ų | 78 | 41% | 0.406 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 155.9 | 168.6 | -28.6 | 0 | 0 | 0 | 0 | 110 | N223 D224 C225 | S221-N223 PolarHBondContact O-N 2.93Å; S221-D224 WeakPolarHBondContact CA-OD2 3.41Å; S221-D224 VanDerWaalsContact CB-CG 3.48Å; S221-D224 WeakPolarHBondContact CB-OD2 3.43Å; S221-D224 PolarHBondContact N-OD2 3.46Å; S221-D224 VanDerWaalsContact O-CB 3.32Å; S221-D224 WeakPolarHBondContact O-CB 3.33Å; S221-D224 PolarHBondContact O-N 3.47Å; S221-D224 PolarHBondContact OG-OD2 2.99Å; S221-C225 PolarHBondContact O-N 2.75Å; S221-C225 PolarHBondContact O-SG 3.32Å |
| 222 | E | 73.6 | Confident | 78.2 | Confident | 144 Ų | 144 | 78.1 Ų | 78.1 | 67% | 0.673 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24 | -178.2 | -158.2 | -147.1 | 122.1 | 0 | 0 | 114.3 | K226 | E222-K226 WeakPolarHBondContact O-CE 3.44Å; E222-K226 IonicContact OE1-NZ 2.65Å; E222-K226 PolarHBondContact OE1-NZ 3.24Å |
| 223 | N | 72.9 | Confident | 78.1 | Confident | 113 Ų | 113 | 75.2 Ų | 75.2 | 60% | 0.604 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -41.5 | 173.7 | -64.3 | -38.3 | 0 | 0 | 0 | 112 | S221 C225 K226 | S221-N223 PolarHBondContact O-N 2.93Å; N223-C225 VanDerWaalsContact C-N 3.25Å; N223-C225 PolarHBondContact O-N 2.91Å; N223-K226 WeakPolarHBondContact O-CB 3.41Å; N223-K226 PolarHBondContact O-N 2.9Å |
| 224 | D | 74.1 | Confident | 78.3 | Confident | 29 Ų | 29 | 70.2 Ų | 70.2 | 16% | 0.155 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -62 | -38.1 | -176.2 | -46.1 | -10.5 | 0 | 0 | 0 | 110.6 | F220 S221 K226 T227 I228 L266 | F220-D224 HydrophobicContact CB-CB 4.09Å; F220-D224 HydrophobicContact CD1-CB 3.83Å; F220-D224 HydrophobicContact CG-CB 4.28Å; S221-D224 WeakPolarHBondContact CA-OD2 3.41Å; S221-D224 VanDerWaalsContact CB-CG 3.48Å; S221-D224 WeakPolarHBondContact CB-OD2 3.43Å; S221-D224 PolarHBondContact N-OD2 3.46Å; S221-D224 VanDerWaalsContact O-CB 3.32Å; S221-D224 WeakPolarHBondContact O-CB 3.33Å; S221-D224 PolarHBondContact O-N 3.47Å; S221-D224 PolarHBondContact OG-OD2 2.99Å; D224-K226 PolarHBondContact O-N 2.98Å; D224-K226 VanDerWaalsContact O-N 3.09Å; D224-T227 PolarHBondContact O-N 3.07Å; D224-I228 PolarHBondContact O-N 3Å; D224-L266 HydrophobicContact CB-CD1 3.6Å; D224-L266 HydrophobicContact CB-CD2 3.72Å; D224-L266 HydrophobicContact CB-CG 4.32Å |
| 225 | C | 67.7 | Low | 78.2 | Confident | 43 Ų | 43 | 70.1 Ų | 70.1 | 29% | 0.291 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -53.7 | -25.7 | 174.2 | -65.5 | 0 | 0 | 0 | 0 | 114.3 | S221 N223 Q231 | S221-C225 PolarHBondContact O-N 2.75Å; S221-C225 PolarHBondContact O-SG 3.32Å; N223-C225 VanDerWaalsContact C-N 3.25Å; N223-C225 PolarHBondContact O-N 2.91Å; C225-Q231 PolarHBondContact O-NE2 3.25Å |
| 226 | K | 71.3 | Confident | 78.4 | Confident | 145 Ų | 145 | 68.9 Ų | 68.9 | 63% | 0.63 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -86.8 | -18.6 | -178.5 | -62.2 | 162 | -170 | 158.3 | 0 | 112.3 | E222 N223 D224 | E222-K226 WeakPolarHBondContact O-CE 3.44Å; E222-K226 IonicContact OE1-NZ 2.65Å; E222-K226 PolarHBondContact OE1-NZ 3.24Å; N223-K226 WeakPolarHBondContact O-CB 3.41Å; N223-K226 PolarHBondContact O-N 2.9Å; D224-K226 PolarHBondContact O-N 2.98Å; D224-K226 VanDerWaalsContact O-N 3.09Å |
| 227 | T | 72.4 | Confident | 78.6 | Confident | 94 Ų | 94 | 68.7 Ų | 68.7 | 58% | 0.577 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -27.9 | -177.5 | -54 | 0 | 0 | 0 | 0 | 112.6 | D224 | D224-T227 PolarHBondContact O-N 3.07Š|
| 228 | I | 74.5 | Confident | 78.8 | Confident | 8 Ų | 8 | 70.2 Ų | 70.2 | 4% | 0.041 | 39% | 0.385 | C | S | . | . | trans | -105.2 | 110.1 | -173.5 | -65.5 | 158.9 | 0 | 0 | 0 | 110.1 | F220 D224 Q231 N262 L266 | F220-I228 HydrophobicContact CD1-CD1 4.12Å; F220-I228 HydrophobicContact CE1-CD1 3.45Å; F220-I228 VanDerWaalsContact CE1-CD1 3.45Å; F220-I228 HydrophobicContact CE2-CD1 4.21Å; F220-I228 HydrophobicContact CZ-CD1 3.52Å; D224-I228 PolarHBondContact O-N 3Å; I228-Q231 HydrophobicContact CG2-CG 4.28Å; I228-N262 HydrophobicContact CD1-CB 4.07Å; I228-N262 HydrophobicContact CG1-CB 4.41Å; I228-N262 HydrophobicContact CG2-CB 4.07Å; I228-N262 VanDerWaalsContact CG2-CG 3.46Å; I228-N262 WeakPolarHBondContact CG2-OD1 2.92Å; I228-L266 HydrophobicContact CD1-CB 4.38Å | ||
| 229 | V | 70.7 | Confident | 79.4 | Confident | 141 Ų | 141 | 68.9 Ų | 68.9 | 86% | 0.855 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -64 | -45.7 | -179.4 | -176.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 230 | N | 75.8 | Confident | 80.2 | Confident | 99 Ų | 99 | 66.5 Ų | 66.5 | 53% | 0.529 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -108.2 | 79.4 | 179.7 | -67.2 | 4 | 0 | 0 | 0 | 109.4 | T232 L258 N262 | N230-T232 PolarHBondContact O-N 3.4Å; N230-L258 HydrophobicContact CB-CD1 4.48Å; N230-L258 HydrophobicContact CB-CD2 4Å; N230-N262 PolarHBondContact O-ND2 3Å |
| 231 | Q | 77.2 | Confident | 81.1 | Confident | 100 Ų | 100 | 65.3 Ų | 65.3 | 47% | 0.467 | 36% | 0.357 | S | S | . | . | trans | -58.5 | 122.6 | 172.5 | -64.2 | 170.8 | 16.7 | 0 | 0 | 108.8 | C225 I228 | C225-Q231 PolarHBondContact O-NE2 3.25Å; I228-Q231 HydrophobicContact CG2-CG 4.28Å | ||
| 232 | T | 82.6 | Confident | 81.8 | Confident | 9 Ų | 9 | 64.2 Ų | 64.2 | 6% | 0.055 | 35% | 0.352 | C | S | . | . | trans | -154.5 | 116.2 | -179.7 | -70.8 | 0 | 0 | 0 | 0 | 107.2 | N230 I237 D255 L258 V259 | N230-T232 PolarHBondContact O-N 3.4Å; T232-I237 HydrophobicContact CG2-CD1 4.36Å; T232-I237 HydrophobicContact CG2-CG1 4.11Å; T232-D255 HydrophobicContact CG2-CB 4.18Å; T232-L258 HydrophobicContact CG2-CD2 4.41Å; T232-V259 HydrophobicContact CG2-CG2 4.18Å; T232-V259 VanDerWaalsContact O-CG2 3.3Å; T232-V259 WeakPolarHBondContact O-CG2 3.49Å | ||
| 233 | D | 86.2 | Confident | 82.7 | Confident | 40 Ų | 40 | 62 Ų | 62 | 21% | 0.214 | 34% | 0.342 | C | S | . | . | trans | -128.7 | 170.9 | -175.2 | -60.9 | -40.6 | 0 | 0 | 0 | 109.7 | F220 A235 A236 I237 | F220-D233 WeakPolarHBondContact CD2-OD2 3.38Å; F220-D233 WeakPolarHBondContact CE2-OD1 3.38Å; D233-A235 PolarHBondContact O-N 3.27Å; D233-A236 WeakPolarHBondContact O-CA 3.45Å; D233-A236 WeakPolarHBondContact O-CB 3.25Å; D233-A236 PolarHBondContact O-N 3.22Å; D233-I237 WeakPolarHBondContact O-CG1 3.31Å; D233-I237 PolarHBondContact O-N 3.3Å | ||
| 234 | F | 90.2 | Very high | 83.4 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.3 | -34.4 | 174.5 | -78.7 | -76.6 | 0 | 0 | 0 | 113.9 | V204 F207 L208 F216 I237 Q238 L256 V259 F280 | V204-F234 HydrophobicContact CG1-CD1 4.15Å; F207-F234 HydrophobicContact CB-CE1 4Å; F207-F234 HydrophobicContact CB-CZ 4.24Å; L208-F234 HydrophobicContact CD2-CB 3.96Å; L208-F234 HydrophobicContact CD2-CD1 3.86Å; L208-F234 HydrophobicContact CD2-CD2 4.11Å; L208-F234 HydrophobicContact CD2-CE1 4.47Å; L208-F234 HydrophobicContact CD2-CG 3.67Å; L208-F234 HydrophobicContact CG-CD1 4.07Å; L208-F234 HydrophobicContact CG-CG 4.39Å; F216-F234 HydrophobicContact CB-CD2 4.41Å; F216-F234 HydrophobicContact CB-CE2 3.75Å; F216-F234 WeakPolarHBondContact O-CD2 3.34Å; F234-I237 PolarHBondContact O-N 2.85Å; F234-Q238 WeakPolarHBondContact O-CB 3.41Å; F234-Q238 VanDerWaalsContact O-CG 3.26Å; F234-Q238 WeakPolarHBondContact O-CG 3.33Å; F234-Q238 PolarHBondContact O-N 3.25Å; F234-L256 HydrophobicContact CE1-CD2 3.55Å; F234-L256 HydrophobicContact CZ-CD2 3.72Å; F234-V259 HydrophobicContact CE2-CG1 4.17Å; F234-F280 HydrophobicContact CE2-CZ 4.47Å; F234-F280 HydrophobicContact CZ-CE1 4.33Å; F234-F280 AromaticContact CZ-CZ 3.85Å; F234-F280 HydrophobicContact CZ-CZ 3.85Å |
| 235 | A | 87.9 | Confident | 84.2 | Confident | 59 Ų | 59 | 64.8 Ų | 64.8 | 49% | 0.488 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D233 Q238 N239 | D233-A235 PolarHBondContact O-N 3.27Å; A235-Q238 PolarHBondContact O-N 3Å; A235-N239 VanDerWaalsContact O-CG 3.31Å; A235-N239 PolarHBondContact O-N 2.88Å; A235-N239 PolarHBondContact O-ND2 2.88Å |
| 236 | A | 90.1 | Very high | 85.3 | Confident | 33 Ų | 33 | 63.1 Ų | 63.1 | 27% | 0.273 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.4 | -40 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D233 N239 K240 | D233-A236 WeakPolarHBondContact O-CA 3.45Å; D233-A236 WeakPolarHBondContact O-CB 3.25Å; D233-A236 PolarHBondContact O-N 3.22Å; A236-N239 PolarHBondContact O-N 3.31Å; A236-K240 WeakPolarHBondContact O-CG 3.42Å; A236-K240 PolarHBondContact O-N 3.16Å |
| 237 | I | 92.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 174.9 | -66.6 | 173.8 | 0 | 0 | 0 | 110.8 | V204 T232 D233 F234 N239 K240 I241 Y246 L252 D255 L256 V259 | V204-I237 HydrophobicContact CG2-CG2 3.68Å; T232-I237 HydrophobicContact CG2-CD1 4.36Å; T232-I237 HydrophobicContact CG2-CG1 4.11Å; D233-I237 WeakPolarHBondContact O-CG1 3.31Å; D233-I237 PolarHBondContact O-N 3.3Å; F234-I237 PolarHBondContact O-N 2.85Å; I237-N239 PolarHBondContact O-N 2.93Å; I237-K240 PolarHBondContact O-N 2.97Å; I237-I241 HydrophobicContact CG2-CD1 4.21Å; I237-I241 WeakPolarHBondContact O-CG1 3.35Å; I237-I241 PolarHBondContact O-N 3.43Å; I237-Y246 HydrophobicContact CG2-CE2 4.35Å; I237-L252 HydrophobicContact CG2-CD1 3.48Å; I237-L252 VanDerWaalsContact CG2-CD1 3.48Å; I237-D255 HydrophobicContact CD1-CB 4.12Å; I237-D255 HydrophobicContact CG1-CB 4.17Å; I237-L256 HydrophobicContact CD1-CD2 3.92Å; I237-L256 HydrophobicContact CD1-CG 4.31Å; I237-V259 HydrophobicContact CD1-CG2 3.73Å |
| 238 | Q | 91.9 | Very high | 86.9 | Confident | 87 Ų | 87 | 61.2 Ų | 61.2 | 41% | 0.407 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 175.5 | -76.8 | 172.3 | -13 | 0 | 0 | 112 | V204 F234 A235 I241 A242 | V204-Q238 HydrophobicContact CG1-CG 4.08Å; F234-Q238 WeakPolarHBondContact O-CB 3.41Å; F234-Q238 VanDerWaalsContact O-CG 3.26Å; F234-Q238 WeakPolarHBondContact O-CG 3.33Å; F234-Q238 PolarHBondContact O-N 3.25Å; A235-Q238 PolarHBondContact O-N 3Å; Q238-I241 PolarHBondContact O-N 3.26Å; Q238-A242 PolarHBondContact O-N 2.89Å |
| 239 | N | 91.3 | Very high | 87.6 | Confident | 96 Ų | 96 | 61 Ų | 61 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 175 | -71.9 | -25.5 | 0 | 0 | 0 | 112.1 | A235 A236 I237 I241 A242 Q243 | A235-N239 VanDerWaalsContact O-CG 3.31Å; A235-N239 PolarHBondContact O-N 2.88Å; A235-N239 PolarHBondContact O-ND2 2.88Å; A236-N239 PolarHBondContact O-N 3.31Å; I237-N239 PolarHBondContact O-N 2.93Å; N239-I241 VanDerWaalsContact C-N 3.32Å; N239-I241 PolarHBondContact O-N 3.3Å; N239-A242 PolarHBondContact O-N 3.3Å; N239-Q243 WeakPolarHBondContact O-CB 3.48Å; N239-Q243 VanDerWaalsContact O-CG 3.26Å; N239-Q243 WeakPolarHBondContact O-CG 3.32Å; N239-Q243 PolarHBondContact O-N 2.99Å |
| 240 | K | 92.6 | Very high | 88.6 | Confident | 56 Ų | 56 | 59.1 Ų | 59.1 | 24% | 0.243 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.7 | -37.3 | 173.4 | -75.8 | 171.3 | 172.3 | 175.9 | 0 | 112.6 | A236 I237 D244 H245 Y246 D255 | A236-K240 WeakPolarHBondContact O-CG 3.42Å; A236-K240 PolarHBondContact O-N 3.16Å; I237-K240 PolarHBondContact O-N 2.97Å; K240-D244 PolarHBondContact O-N 3.28Å; K240-H245 HydrophobicContact CB-CB 4.42Å; K240-H245 PolarHBondContact O-N 3.25Å; K240-Y246 HydrophobicContact CB-CD2 4.13Å; K240-Y246 HydrophobicContact CB-CE2 3.42Å; K240-Y246 VanDerWaalsContact CB-CE2 3.42Å; K240-Y246 HydrophobicContact CD-CE1 4.42Å; K240-Y246 HydrophobicContact CD-CE2 4.33Å; K240-Y246 VanDerWaalsContact CD-OH 3.25Å; K240-Y246 WeakPolarHBondContact CD-OH 3.47Å; K240-D255 WeakPolarHBondContact CD-OD2 3.35Å; K240-D255 IonicContact NZ-OD1 2.86Å; K240-D255 PolarHBondContact NZ-OD1 2.95Å; K240-D255 IonicContact NZ-OD2 2.6Å; K240-D255 PolarHBondContact NZ-OD2 2.88Å |
| 241 | I | 92.4 | Very high | 89.4 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 6% | 0.056 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.8 | -48.4 | 174 | -65.7 | 167.3 | 0 | 0 | 0 | 110.6 | Q197 L200 V204 I237 Q238 N239 Q243 D244 Y246 | Q197-I241 HydrophobicContact CB-CG2 4.17Å; Q197-I241 HydrophobicContact CG-CG2 4.39Å; Q197-I241 PolarHBondContact NE2-O 3.1Å; L200-I241 HydrophobicContact CB-CD1 3.75Å; L200-I241 HydrophobicContact CB-CG1 3.87Å; L200-I241 HydrophobicContact CB-CG2 4.33Å; L200-I241 HydrophobicContact CD1-CG1 4.3Å; V204-I241 HydrophobicContact CB-CD1 4.42Å; V204-I241 HydrophobicContact CG2-CD1 3.63Å; I237-I241 HydrophobicContact CG2-CD1 4.21Å; I237-I241 WeakPolarHBondContact O-CG1 3.35Å; I237-I241 PolarHBondContact O-N 3.43Å; Q238-I241 PolarHBondContact O-N 3.26Å; N239-I241 VanDerWaalsContact C-N 3.32Å; N239-I241 PolarHBondContact O-N 3.3Å; I241-Q243 PolarHBondContact O-N 2.65Å; I241-D244 PolarHBondContact O-N 3.29Å; I241-Y246 HydrophobicContact CG1-CD2 3.75Å; I241-Y246 HydrophobicContact CG1-CE2 3.7Å |
| 242 | A | 90.8 | Very high | 90.1 | Very high | 35 Ų | 35 | 52.4 Ų | 52.4 | 29% | 0.289 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.6 | -28.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q238 N239 | Q238-A242 PolarHBondContact O-N 2.89Å; N239-A242 PolarHBondContact O-N 3.3Å |
| 243 | Q | 91 | Very high | 90.6 | Very high | 99 Ų | 99 | 54.1 Ų | 54.1 | 46% | 0.463 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 4.9 | 177.1 | -66.3 | 167.1 | -12.5 | 0 | 0 | 113.9 | N239 I241 H245 | N239-Q243 WeakPolarHBondContact O-CB 3.48Å; N239-Q243 VanDerWaalsContact O-CG 3.26Å; N239-Q243 WeakPolarHBondContact O-CG 3.32Å; N239-Q243 PolarHBondContact O-N 2.99Å; I241-Q243 PolarHBondContact O-N 2.65Å; Q243-H245 PolarHBondContact O-N 2.79Å; Q243-H245 PolarHBondContact O-ND1 2.84Å |
| 244 | D | 88.3 | Confident | 91 | Very high | 80 Ų | 80 | 55.3 Ų | 55.3 | 43% | 0.428 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 35.9 | -178.1 | -150.6 | 34.6 | 0 | 0 | 0 | 113.7 | Q197 K240 I241 Y246 | Q197-D244 WeakPolarHBondContact CG-OD1 3.33Å; K240-D244 PolarHBondContact O-N 3.28Å; I241-D244 PolarHBondContact O-N 3.29Å; D244-Y246 VanDerWaalsContact C-N 3.34Å |
| 245 | H | 90.9 | Very high | 91.2 | Very high | 119 Ų | 119 | 55.9 Ų | 55.9 | 55% | 0.551 | 30% | 0.297 | S | S | * | . | trans | -80.1 | -12.8 | -175.9 | -74.2 | -10.3 | 0 | 0 | 0 | 114.3 | K240 Q243 | K240-H245 HydrophobicContact CB-CB 4.42Å; K240-H245 PolarHBondContact O-N 3.25Å; Q243-H245 PolarHBondContact O-N 2.79Å; Q243-H245 PolarHBondContact O-ND1 2.84Å | ||
| 246 | Y | 91.3 | Very high | 91.4 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 4% | 0.035 | 27% | 0.274 | C | S | . | . | trans | -91.9 | 117.5 | 177.7 | -68.3 | -65.5 | 0 | 0 | 0 | 111.1 | L196 L200 I237 K240 I241 D244 E251 L252 D255 | L196-Y246 WeakPolarHBondContact CD2-O 3.27Å; L200-Y246 VanDerWaalsContact CD1-CB 3.45Å; L200-Y246 HydrophobicContact CD1-CD2 3.83Å; L200-Y246 HydrophobicContact CD1-CG 3.94Å; I237-Y246 HydrophobicContact CG2-CE2 4.35Å; K240-Y246 HydrophobicContact CB-CD2 4.13Å; K240-Y246 HydrophobicContact CB-CE2 3.42Å; K240-Y246 VanDerWaalsContact CB-CE2 3.42Å; K240-Y246 HydrophobicContact CD-CE1 4.42Å; K240-Y246 HydrophobicContact CD-CE2 4.33Å; K240-Y246 VanDerWaalsContact CD-OH 3.25Å; K240-Y246 WeakPolarHBondContact CD-OH 3.47Å; I241-Y246 HydrophobicContact CG1-CD2 3.75Å; I241-Y246 HydrophobicContact CG1-CE2 3.7Å; D244-Y246 VanDerWaalsContact C-N 3.34Å; Y246-E251 WeakPolarHBondContact CA-OE2 3.43Å; Y246-E251 HydrophobicContact CD1-CB 3.7Å; Y246-E251 HydrophobicContact CE1-CB 4.23Å; Y246-L252 HydrophobicContact CD1-CB 4.46Å; Y246-L252 HydrophobicContact CE1-CB 4.38Å; Y246-L252 HydrophobicContact CE2-CD1 4.35Å; Y246-D255 WeakPolarHBondContact CE1-OD2 3.46Å; Y246-D255 VanDerWaalsContact CZ-OD2 3.26Å; Y246-D255 PolarHBondContact OH-OD2 3.43Å | ||
| 247 | K | 87.8 | Confident | 91.6 | Very high | 163 Ų | 163 | 55.3 Ų | 55.3 | 71% | 0.709 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -90.4 | -31.7 | 176.4 | -62.8 | 178.5 | -177.3 | 177.2 | 0 | 112.2 | E251 | K247-E251 PolarHBondContact N-OE2 3.3Š|
| 248 | T | 90 | Very high | 91.6 | Very high | 36 Ų | 36 | 57.1 Ų | 57.1 | 22% | 0.221 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -131.2 | 151.9 | 179.3 | 70.1 | 0 | 0 | 0 | 0 | 112.3 | I250 E251 Q310 | T248-I250 PolarHBondContact O-N 2.89Å; T248-E251 WeakPolarHBondContact CB-OE1 3.38Å; T248-E251 WeakPolarHBondContact CG2-OE1 3.5Å; T248-E251 PolarHBondContact N-OE1 3.1Å; T248-E251 PolarHBondContact N-OE2 2.91Å; T248-E251 PolarHBondContact O-N 3.03Å; T248-E251 VanDerWaalsContact O-N 3.16Å; T248-E251 PolarHBondContact OG1-OE1 3.15Å; T248-Q310 CarbonylContact C-O 3.58Å; T248-Q310 WeakPolarHBondContact CA-O 3.31Å |
| 249 | L | 88.8 | Confident | 91.6 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.8 | -18.9 | 174.7 | -173.7 | 60.7 | 0 | 0 | 0 | 112.6 | L199 L200 Y203 L252 K253 F288 M293 Q310 L311 | L199-L249 HydrophobicContact CD2-CD2 4.42Å; L200-L249 HydrophobicContact CD2-CD1 3.58Å; Y203-L249 HydrophobicContact CD1-CD1 4.24Å; Y203-L249 HydrophobicContact CE1-CD1 4.35Å; Y203-L249 HydrophobicContact CE1-CD2 4.28Å; Y203-L249 HydrophobicContact CE2-CD2 4.4Å; Y203-L249 HydrophobicContact CG-CD1 4.39Å; L249-L252 HydrophobicContact CD1-CD2 4.14Å; L249-K253 PolarHBondContact O-N 2.93Å; L249-F288 HydrophobicContact CD1-CD1 4.34Å; L249-F288 HydrophobicContact CD1-CE1 3.6Å; L249-F288 HydrophobicContact CD1-CZ 4.48Å; L249-F288 HydrophobicContact CD2-CD1 4.22Å; L249-F288 HydrophobicContact CD2-CE1 4.29Å; L249-F288 HydrophobicContact CG-CD1 3.89Å; L249-F288 HydrophobicContact CG-CE1 3.61Å; L249-F288 WeakPolarHBondContact O-CE1 3.28Å; L249-M293 HydrophobicContact CD2-CE 4.12Å; L249-M293 HydrophobicContact CD2-CG 4.39Å; L249-Q310 PolarHBondContact N-O 3.19Å; L249-L311 HydrophobicContact CD2-CD1 3.6Å |
| 250 | I | 90.4 | Very high | 91.6 | Very high | 101 Ų | 101 | 48.7 Ų | 48.7 | 52% | 0.518 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.5 | -36.8 | 175.7 | -59.8 | 176.1 | 0 | 0 | 0 | 111.1 | T248 L252 K253 S254 | T248-I250 PolarHBondContact O-N 2.89Å; I250-L252 PolarHBondContact O-N 2.88Å; I250-K253 WeakPolarHBondContact O-CB 3.28Å; I250-K253 PolarHBondContact O-N 3.32Å; I250-K253 VanDerWaalsContact O-N 3.13Å; I250-S254 PolarHBondContact O-N 2.9Å |
| 251 | E | 92.4 | Very high | 91.5 | Very high | 58 Ų | 58 | 48 Ų | 48 | 27% | 0.271 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 177.7 | -68.4 | 145.2 | -131.1 | 0 | 0 | 111.1 | Y246 K247 T248 K253 S254 D255 | Y246-E251 WeakPolarHBondContact CA-OE2 3.43Å; Y246-E251 HydrophobicContact CD1-CB 3.7Å; Y246-E251 HydrophobicContact CE1-CB 4.23Å; K247-E251 PolarHBondContact N-OE2 3.3Å; T248-E251 WeakPolarHBondContact CB-OE1 3.38Å; T248-E251 WeakPolarHBondContact CG2-OE1 3.5Å; T248-E251 PolarHBondContact N-OE1 3.1Å; T248-E251 PolarHBondContact N-OE2 2.91Å; T248-E251 PolarHBondContact O-N 3.03Å; T248-E251 VanDerWaalsContact O-N 3.16Å; T248-E251 PolarHBondContact OG1-OE1 3.15Å; E251-K253 VanDerWaalsContact C-N 3.31Å; E251-K253 PolarHBondContact O-N 3Å; E251-S254 PolarHBondContact O-N 3.06Å; E251-S254 VanDerWaalsContact O-N 3.11Å; E251-S254 PolarHBondContact O-OG 3.44Å; E251-D255 PolarHBondContact O-N 3.01Å |
| 252 | L | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61 | -39 | 172.7 | 178.4 | 65.5 | 0 | 0 | 0 | 111.8 | L200 V204 I237 Y246 L249 I250 S254 D255 L256 F288 | L200-L252 HydrophobicContact CB-CD2 4.17Å; L200-L252 HydrophobicContact CD2-CB 3.88Å; L200-L252 HydrophobicContact CD2-CD2 3.52Å; L200-L252 HydrophobicContact CD2-CG 4.28Å; L200-L252 HydrophobicContact CG-CD2 4.43Å; V204-L252 HydrophobicContact CG2-CD1 4.22Å; I237-L252 HydrophobicContact CG2-CD1 3.48Å; I237-L252 VanDerWaalsContact CG2-CD1 3.48Å; Y246-L252 HydrophobicContact CD1-CB 4.46Å; Y246-L252 HydrophobicContact CE1-CB 4.38Å; Y246-L252 HydrophobicContact CE2-CD1 4.35Å; L249-L252 HydrophobicContact CD1-CD2 4.14Å; I250-L252 PolarHBondContact O-N 2.88Å; L252-S254 VanDerWaalsContact C-N 3.33Å; L252-S254 PolarHBondContact O-N 3.49Å; L252-D255 PolarHBondContact O-N 3.03Å; L252-L256 HydrophobicContact CD1-CD1 4.22Å; L252-L256 HydrophobicContact CD1-CG 4.28Å; L252-L256 HydrophobicContact CG-CD1 3.96Å; L252-L256 HydrophobicContact CG-CG 4.47Å; L252-L256 WeakPolarHBondContact O-CD1 3.44Å; L252-L256 VanDerWaalsContact O-CG 3.28Å; L252-L256 WeakPolarHBondContact O-CG 3.23Å; L252-L256 PolarHBondContact O-N 2.98Å; L252-F288 HydrophobicContact CD2-CZ 4.37Å; L252-F288 HydrophobicContact CG-CZ 4.28Å |
| 253 | K | 93.5 | Very high | 91.2 | Very high | 45 Ų | 45 | 46.5 Ų | 46.5 | 20% | 0.196 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.9 | -46.5 | 173.1 | 179.6 | 172.4 | 170.2 | 177.5 | 0 | 110.7 | L249 I250 E251 D255 L256 E257 I284 D285 F288 | L249-K253 PolarHBondContact O-N 2.93Å; I250-K253 WeakPolarHBondContact O-CB 3.28Å; I250-K253 PolarHBondContact O-N 3.32Å; I250-K253 VanDerWaalsContact O-N 3.13Å; E251-K253 VanDerWaalsContact C-N 3.31Å; E251-K253 PolarHBondContact O-N 3Å; K253-D255 PolarHBondContact O-N 3.45Å; K253-L256 PolarHBondContact O-N 3.2Å; K253-E257 WeakPolarHBondContact CE-OE1 3.18Å; K253-E257 WeakPolarHBondContact CE-OE2 3.47Å; K253-E257 HydrophobicContact CG-CG 4.43Å; K253-E257 IonicContact NZ-OE1 2.66Å; K253-E257 PolarHBondContact NZ-OE1 2.91Å; K253-E257 PolarHBondContact O-N 3.48Å; K253-I284 HydrophobicContact CD-CG2 4.14Å; K253-I284 HydrophobicContact CG-CG2 3.93Å; K253-D285 IonicContact NZ-OD1 2.92Å; K253-D285 PolarHBondContact NZ-OD1 3.47Å; K253-F288 HydrophobicContact CB-CD1 3.87Å; K253-F288 HydrophobicContact CB-CD2 4.07Å; K253-F288 HydrophobicContact CB-CE1 3.75Å; K253-F288 HydrophobicContact CB-CE2 3.99Å; K253-F288 HydrophobicContact CB-CG 4.04Å; K253-F288 HydrophobicContact CB-CZ 3.83Å; K253-F288 HydrophobicContact CD-CB 3.99Å; K253-F288 HydrophobicContact CD-CD2 4.13Å; K253-F288 HydrophobicContact CD-CG 4.01Å; K253-F288 HydrophobicContact CG-CD2 4.02Å; K253-F288 HydrophobicContact CG-CE2 4.23Å; K253-F288 HydrophobicContact CG-CG 4.2Å |
| 254 | S | 93.2 | Very high | 91 | Very high | 65 Ų | 65 | 44.2 Ų | 44.2 | 46% | 0.455 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.3 | -37.1 | -177.8 | 68.2 | 0 | 0 | 0 | 0 | 113.4 | I250 E251 L252 E257 L258 | I250-S254 PolarHBondContact O-N 2.9Å; E251-S254 PolarHBondContact O-N 3.06Å; E251-S254 VanDerWaalsContact O-N 3.11Å; E251-S254 PolarHBondContact O-OG 3.44Å; L252-S254 VanDerWaalsContact C-N 3.33Å; L252-S254 PolarHBondContact O-N 3.49Å; S254-E257 PolarHBondContact O-N 2.91Å; S254-L258 WeakPolarHBondContact O-CB 3.34Å; S254-L258 PolarHBondContact O-N 3.21Å |
| 255 | D | 94.2 | Very high | 90.9 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 10% | 0.102 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.9 | -38.7 | 173.4 | -89.6 | -25.8 | 0 | 0 | 0 | 112 | T232 I237 K240 Y246 E251 L252 K253 L258 V259 | T232-D255 HydrophobicContact CG2-CB 4.18Å; I237-D255 HydrophobicContact CD1-CB 4.12Å; I237-D255 HydrophobicContact CG1-CB 4.17Å; K240-D255 WeakPolarHBondContact CD-OD2 3.35Å; K240-D255 IonicContact NZ-OD1 2.86Å; K240-D255 PolarHBondContact NZ-OD1 2.95Å; K240-D255 IonicContact NZ-OD2 2.6Å; K240-D255 PolarHBondContact NZ-OD2 2.88Å; Y246-D255 WeakPolarHBondContact CE1-OD2 3.46Å; Y246-D255 VanDerWaalsContact CZ-OD2 3.26Å; Y246-D255 PolarHBondContact OH-OD2 3.43Å; E251-D255 PolarHBondContact O-N 3.01Å; L252-D255 PolarHBondContact O-N 3.03Å; K253-D255 PolarHBondContact O-N 3.45Å; D255-L258 WeakPolarHBondContact O-CB 3.46Å; D255-L258 PolarHBondContact O-N 2.85Å; D255-V259 WeakPolarHBondContact O-CG2 3.47Å; D255-V259 PolarHBondContact O-N 3.28Å |
| 256 | L | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.7 | -36.8 | 175.5 | -70.7 | 165.8 | 0 | 0 | 0 | 112.4 | F207 F234 I237 L252 K253 L258 V260 I284 F288 | F207-L256 HydrophobicContact CD2-CD1 3.57Å; F207-L256 HydrophobicContact CD2-CD2 4.24Å; F207-L256 HydrophobicContact CE2-CD1 3.38Å; F207-L256 HydrophobicContact CG-CD1 4.37Å; F207-L256 HydrophobicContact CG-CD2 4.44Å; F207-L256 HydrophobicContact CZ-CD1 4.04Å; F234-L256 HydrophobicContact CE1-CD2 3.55Å; F234-L256 HydrophobicContact CZ-CD2 3.72Å; I237-L256 HydrophobicContact CD1-CD2 3.92Å; I237-L256 HydrophobicContact CD1-CG 4.31Å; L252-L256 HydrophobicContact CD1-CD1 4.22Å; L252-L256 HydrophobicContact CD1-CG 4.28Å; L252-L256 HydrophobicContact CG-CD1 3.96Å; L252-L256 HydrophobicContact CG-CG 4.47Å; L252-L256 WeakPolarHBondContact O-CD1 3.44Å; L252-L256 VanDerWaalsContact O-CG 3.28Å; L252-L256 WeakPolarHBondContact O-CG 3.23Å; L252-L256 PolarHBondContact O-N 2.98Å; K253-L256 PolarHBondContact O-N 3.2Å; L256-L258 VanDerWaalsContact C-N 3.31Å; L256-V260 WeakPolarHBondContact O-CG2 3.33Å; L256-V260 PolarHBondContact O-N 3.42Å; L256-I284 HydrophobicContact CB-CD1 3.94Å; L256-F288 HydrophobicContact CD1-CE2 3.75Å; L256-F288 HydrophobicContact CD1-CZ 3.76Å |
| 257 | E | 93.3 | Very high | 90.3 | Very high | 79 Ų | 79 | 43.8 Ų | 43.8 | 37% | 0.369 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68 | -32.4 | 171.7 | -71.8 | -179.6 | 148.9 | 0 | 0 | 111.7 | K253 S254 V260 S261 I284 | K253-E257 WeakPolarHBondContact CE-OE1 3.18Å; K253-E257 WeakPolarHBondContact CE-OE2 3.47Å; K253-E257 HydrophobicContact CG-CG 4.43Å; K253-E257 IonicContact NZ-OE1 2.66Å; K253-E257 PolarHBondContact NZ-OE1 2.91Å; K253-E257 PolarHBondContact O-N 3.48Å; S254-E257 PolarHBondContact O-N 2.91Å; E257-V260 PolarHBondContact O-N 3.21Å; E257-S261 WeakPolarHBondContact O-CB 3.25Å; E257-S261 PolarHBondContact O-N 3.45Å; E257-I284 HydrophobicContact CG-CD1 4.47Å; E257-I284 HydrophobicContact CG-CG2 4.41Å |
| 258 | L | 92.8 | Very high | 89.5 | Confident | 39 Ų | 39 | 39.8 Ų | 39.8 | 20% | 0.204 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.6 | -42.7 | 173.4 | -178.6 | 60.3 | 0 | 0 | 0 | 112.3 | N230 T232 S254 D255 L256 V260 S261 N262 | N230-L258 HydrophobicContact CB-CD1 4.48Å; N230-L258 HydrophobicContact CB-CD2 4Å; T232-L258 HydrophobicContact CG2-CD2 4.41Å; S254-L258 WeakPolarHBondContact O-CB 3.34Å; S254-L258 PolarHBondContact O-N 3.21Å; D255-L258 WeakPolarHBondContact O-CB 3.46Å; D255-L258 PolarHBondContact O-N 2.85Å; L256-L258 VanDerWaalsContact C-N 3.31Å; L258-V260 VanDerWaalsContact C-N 3.32Å; L258-V260 PolarHBondContact O-N 2.74Å; L258-S261 WeakPolarHBondContact O-CB 3.45Å; L258-S261 PolarHBondContact O-N 3.17Å; L258-S261 VanDerWaalsContact O-N 3.16Å; L258-N262 WeakPolarHBondContact O-CB 3.35Å; L258-N262 PolarHBondContact O-N 2.88Å; L258-N262 PolarHBondContact O-ND2 3.03Å |
| 259 | V | 91.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -52 | -51.6 | 171.2 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | F216 T232 F234 I237 D255 S261 N262 V263 | F216-V259 HydrophobicContact CB-CG1 3.9Å; F216-V259 HydrophobicContact CD1-CG1 4.33Å; T232-V259 HydrophobicContact CG2-CG2 4.18Å; T232-V259 VanDerWaalsContact O-CG2 3.3Å; T232-V259 WeakPolarHBondContact O-CG2 3.49Å; F234-V259 HydrophobicContact CE2-CG1 4.17Å; I237-V259 HydrophobicContact CD1-CG2 3.73Å; D255-V259 WeakPolarHBondContact O-CG2 3.47Å; D255-V259 PolarHBondContact O-N 3.28Å; V259-S261 VanDerWaalsContact C-N 3.35Å; V259-S261 PolarHBondContact O-N 3.21Å; V259-N262 PolarHBondContact O-N 3.43Å; V259-V263 WeakPolarHBondContact O-CG2 3.5Å; V259-V263 PolarHBondContact O-N 3.25Å |
| 260 | V | 92 | Very high | 88.4 | Confident | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 179.7 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | F216 L256 E257 L258 L264 A277 F280 I284 | F216-V260 HydrophobicContact CD1-CG2 4.27Å; F216-V260 HydrophobicContact CE1-CB 4.48Å; F216-V260 HydrophobicContact CE1-CG1 4.39Å; F216-V260 HydrophobicContact CE1-CG2 4.07Å; L256-V260 WeakPolarHBondContact O-CG2 3.33Å; L256-V260 PolarHBondContact O-N 3.42Å; E257-V260 PolarHBondContact O-N 3.21Å; L258-V260 VanDerWaalsContact C-N 3.32Å; L258-V260 PolarHBondContact O-N 2.74Å; V260-L264 HydrophobicContact CG1-CD1 4.1Å; V260-L264 WeakPolarHBondContact O-CB 3.47Å; V260-L264 VanDerWaalsContact O-CG 3.31Å; V260-L264 WeakPolarHBondContact O-CG 3.38Å; V260-L264 PolarHBondContact O-N 2.81Å; V260-A277 HydrophobicContact CG1-CB 3.66Å; V260-F280 HydrophobicContact CG2-CD1 3.62Å; V260-F280 HydrophobicContact CG2-CE1 4.28Å; V260-F280 HydrophobicContact CG2-CG 4.48Å; V260-I284 HydrophobicContact CG2-CD1 4.28Å |
| 261 | S | 90.8 | Very high | 88.2 | Confident | 43 Ų | 43 | 49.5 Ų | 49.5 | 30% | 0.301 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 176.5 | -171.2 | 0 | 0 | 0 | 0 | 112.5 | E257 L258 V259 K265 | E257-S261 WeakPolarHBondContact O-CB 3.25Å; E257-S261 PolarHBondContact O-N 3.45Å; L258-S261 WeakPolarHBondContact O-CB 3.45Å; L258-S261 PolarHBondContact O-N 3.17Å; L258-S261 VanDerWaalsContact O-N 3.16Å; V259-S261 VanDerWaalsContact C-N 3.35Å; V259-S261 PolarHBondContact O-N 3.21Å; S261-K265 WeakPolarHBondContact O-CD 3.2Å; S261-K265 VanDerWaalsContact O-CG 3.26Å; S261-K265 WeakPolarHBondContact O-CG 3.36Å; S261-K265 PolarHBondContact O-N 3.42Å; S261-K265 WeakPolarHBondContact OG-CE 3.35Å; S261-K265 PolarHBondContact OG-NZ 2.88Å |
| 262 | N | 89 | Confident | 88.1 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.1 | -49.4 | 179.6 | -71.7 | -14.5 | 0 | 0 | 0 | 111.4 | F220 I228 N230 L258 V259 L264 K265 L266 | F220-N262 HydrophobicContact CZ-CB 4.21Å; I228-N262 HydrophobicContact CD1-CB 4.07Å; I228-N262 HydrophobicContact CG1-CB 4.41Å; I228-N262 HydrophobicContact CG2-CB 4.07Å; I228-N262 VanDerWaalsContact CG2-CG 3.46Å; I228-N262 WeakPolarHBondContact CG2-OD1 2.92Å; N230-N262 PolarHBondContact O-ND2 3Å; L258-N262 WeakPolarHBondContact O-CB 3.35Å; L258-N262 PolarHBondContact O-N 2.88Å; L258-N262 PolarHBondContact O-ND2 3.03Å; V259-N262 PolarHBondContact O-N 3.43Å; N262-L264 VanDerWaalsContact C-N 3.28Å; N262-L264 PolarHBondContact O-N 3.01Å; N262-K265 PolarHBondContact O-N 2.94Å; N262-L266 PolarHBondContact O-N 3.36Å; N262-L266 VanDerWaalsContact O-N 3.12Å |
| 263 | V | 87.5 | Confident | 87.9 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 6% | 0.055 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.5 | -36.4 | 176.9 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | F216 V259 N267 Y273 | F216-V263 HydrophobicContact CD1-CB 4.03Å; F216-V263 HydrophobicContact CD1-CG1 4.04Å; F216-V263 HydrophobicContact CD1-CG2 3.98Å; F216-V263 HydrophobicContact CE1-CB 4.24Å; F216-V263 HydrophobicContact CE1-CG1 4.01Å; V259-V263 WeakPolarHBondContact O-CG2 3.5Å; V259-V263 PolarHBondContact O-N 3.25Å; V263-N267 WeakPolarHBondContact O-CB 3.4Å; V263-N267 PolarHBondContact O-N 3.44Å; V263-N267 PolarHBondContact O-ND2 2.94Å; V263-Y273 HydrophobicContact CG1-CD1 3.49Å; V263-Y273 VanDerWaalsContact CG1-CD1 3.49Å; V263-Y273 HydrophobicContact CG1-CE1 4.08Å; V263-Y273 HydrophobicContact CG1-CG 4.35Å |
| 264 | L | 87.4 | Confident | 87.8 | Confident | 51 Ų | 51 | 57.5 Ų | 57.5 | 27% | 0.267 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.8 | -52.7 | 173.8 | -80.5 | 172.6 | 0 | 0 | 0 | 112.7 | V260 N262 L266 N267 D268 R274 A277 | V260-L264 HydrophobicContact CG1-CD1 4.1Å; V260-L264 WeakPolarHBondContact O-CB 3.47Å; V260-L264 VanDerWaalsContact O-CG 3.31Å; V260-L264 WeakPolarHBondContact O-CG 3.38Å; V260-L264 PolarHBondContact O-N 2.81Å; N262-L264 VanDerWaalsContact C-N 3.28Å; N262-L264 PolarHBondContact O-N 3.01Å; L264-L266 PolarHBondContact O-N 3.22Å; L264-N267 CarbonylContact O-C 3.59Å; L264-N267 VanDerWaalsContact O-C 3.31Å; L264-N267 PolarHBondContact O-N 2.92Å; L264-D268 WeakPolarHBondContact O-CA 3.26Å; L264-D268 PolarHBondContact O-N 3.43Å; L264-R274 HydrophobicContact CD2-CB 4.43Å; L264-A277 HydrophobicContact CD1-CB 3.92Å; L264-A277 HydrophobicContact CD2-CB 3.7Å; L264-A277 HydrophobicContact CG-CB 3.81Å |
| 265 | K | 86.1 | Confident | 87.7 | Confident | 109 Ų | 109 | 57.8 Ų | 57.8 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.9 | -36 | 180 | -71.5 | 159.2 | -179.7 | 148.6 | 0 | 112.8 | S261 N262 | S261-K265 WeakPolarHBondContact O-CD 3.2Å; S261-K265 VanDerWaalsContact O-CG 3.26Å; S261-K265 WeakPolarHBondContact O-CG 3.36Å; S261-K265 PolarHBondContact O-N 3.42Å; S261-K265 WeakPolarHBondContact OG-CE 3.35Å; S261-K265 PolarHBondContact OG-NZ 2.88Å; N262-K265 PolarHBondContact O-N 2.94Å |
| 266 | L | 84.4 | Confident | 87.6 | Confident | 49 Ų | 49 | 57.4 Ų | 57.4 | 26% | 0.257 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.8 | -33.9 | 177.6 | -176 | 66.5 | 0 | 0 | 0 | 112.6 | F220 D224 I228 N262 L264 | F220-L266 HydrophobicContact CD1-CD2 3.86Å; F220-L266 HydrophobicContact CE1-CD2 3.85Å; D224-L266 HydrophobicContact CB-CD1 3.6Å; D224-L266 HydrophobicContact CB-CD2 3.72Å; D224-L266 HydrophobicContact CB-CG 4.32Å; I228-L266 HydrophobicContact CD1-CB 4.38Å; N262-L266 PolarHBondContact O-N 3.36Å; N262-L266 VanDerWaalsContact O-N 3.12Å; L264-L266 PolarHBondContact O-N 3.22Å |
| 267 | N | 83.6 | Confident | 87.6 | Confident | 41 Ų | 41 | 57.5 Ų | 57.5 | 22% | 0.219 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 33.5 | -171.3 | -61.8 | -84.2 | 0 | 0 | 0 | 112.4 | V263 L264 F269 S270 Y273 | V263-N267 WeakPolarHBondContact O-CB 3.4Å; V263-N267 PolarHBondContact O-N 3.44Å; V263-N267 PolarHBondContact O-ND2 2.94Å; L264-N267 CarbonylContact O-C 3.59Å; L264-N267 VanDerWaalsContact O-C 3.31Å; L264-N267 PolarHBondContact O-N 2.92Å; N267-F269 PolarHBondContact O-N 3.28Å; N267-S270 PolarHBondContact O-N 3.23Å; N267-Y273 HydrophobicContact CB-CD1 4.48Å; N267-Y273 HydrophobicContact CB-CD2 3.59Å; N267-Y273 HydrophobicContact CB-CE2 4.18Å; N267-Y273 HydrophobicContact CB-CG 3.76Å; N267-Y273 VanDerWaalsContact OD1-CE2 3.25Å; N267-Y273 WeakPolarHBondContact OD1-CE2 3.42Å |
| 268 | D | 71.9 | Confident | 87.6 | Confident | 80 Ų | 80 | 61.9 Ų | 61.9 | 43% | 0.428 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -35.9 | -165.4 | -107.3 | -34.4 | 0 | 0 | 0 | 113.9 | L264 R274 | L264-D268 WeakPolarHBondContact O-CA 3.26Å; L264-D268 PolarHBondContact O-N 3.43Å; D268-R274 PolarHBondContact O-NH2 3.19Å |
| 269 | F | 73.1 | Confident | 87.5 | Confident | 205 Ų | 205 | 66.8 Ų | 66.8 | 90% | 0.899 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -12.9 | -179.2 | -60.9 | -76.2 | 0 | 0 | 0 | 115.1 | N267 T271 | N267-F269 PolarHBondContact O-N 3.28Å; F269-T271 PolarHBondContact O-N 2.9Å |
| 270 | S | 83 | Confident | 87.7 | Confident | 33 Ų | 33 | 67 Ų | 67 | 23% | 0.231 | 32% | 0.323 | C | S | . | . | trans | -79.1 | 123.9 | -177.6 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | N267 E272 Y273 R274 | N267-S270 PolarHBondContact O-N 3.23Å; S270-E272 VanDerWaalsContact C-N 3.3Å; S270-E272 PolarHBondContact O-N 3.17Å; S270-E272 PolarHBondContact OG-N 3.16Å; S270-Y273 WeakPolarHBondContact OG-CD2 3.22Å; S270-R274 VanDerWaalsContact O-CB 3.23Å; S270-R274 WeakPolarHBondContact O-CB 3.49Å; S270-R274 PolarHBondContact O-N 3.15Å | ||
| 271 | T | 86 | Confident | 87.7 | Confident | 106 Ų | 106 | 69 Ų | 69 | 65% | 0.65 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.9 | -34.3 | 174.2 | 48.4 | 0 | 0 | 0 | 0 | 112.1 | F269 V275 | F269-T271 PolarHBondContact O-N 2.9Å; T271-V275 WeakPolarHBondContact O-CB 3.43Å; T271-V275 VanDerWaalsContact O-CG2 3.25Å; T271-V275 WeakPolarHBondContact O-CG2 3.45Å; T271-V275 PolarHBondContact O-N 2.91Å |
| 272 | E | 89.4 | Confident | 87.9 | Confident | 119 Ų | 119 | 72.9 Ų | 72.9 | 56% | 0.556 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -67.7 | -58.1 | -177.3 | -65.1 | 177.3 | 173.7 | 0 | 0 | 111.3 | Y215 S270 R274 V275 A276 | Y215-E272 HydrophobicContact CE1-CB 4.22Å; S270-E272 VanDerWaalsContact C-N 3.3Å; S270-E272 PolarHBondContact O-N 3.17Å; S270-E272 PolarHBondContact OG-N 3.16Å; E272-R274 PolarHBondContact O-N 3.33Å; E272-V275 PolarHBondContact O-N 3.04Å; E272-V275 VanDerWaalsContact O-N 3.07Å; E272-A276 WeakPolarHBondContact O-CB 3.08Å; E272-A276 PolarHBondContact O-N 2.83Å |
| 273 | Y | 90 | Very high | 88.2 | Confident | 40 Ų | 40 | 74.5 Ų | 74.5 | 16% | 0.157 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.9 | -36.9 | 175.9 | -68.6 | -84.8 | 0 | 0 | 0 | 111.6 | Y215 V263 N267 S270 V275 A276 A277 | Y215-Y273 AromaticContact CD1-CD1 3.76Å; Y215-Y273 HydrophobicContact CD1-CD1 3.76Å; Y215-Y273 AromaticContact CD1-CE1 3.77Å; Y215-Y273 HydrophobicContact CD1-CE1 3.77Å; Y215-Y273 HydrophobicContact CD1-CG 4.32Å; Y215-Y273 HydrophobicContact CG-CD1 4.35Å; Y215-Y273 HydrophobicContact CG-CE1 4.48Å; V263-Y273 HydrophobicContact CG1-CD1 3.49Å; V263-Y273 VanDerWaalsContact CG1-CD1 3.49Å; V263-Y273 HydrophobicContact CG1-CE1 4.08Å; V263-Y273 HydrophobicContact CG1-CG 4.35Å; N267-Y273 HydrophobicContact CB-CD1 4.48Å; N267-Y273 HydrophobicContact CB-CD2 3.59Å; N267-Y273 HydrophobicContact CB-CE2 4.18Å; N267-Y273 HydrophobicContact CB-CG 3.76Å; N267-Y273 VanDerWaalsContact OD1-CE2 3.25Å; N267-Y273 WeakPolarHBondContact OD1-CE2 3.42Å; S270-Y273 WeakPolarHBondContact OG-CD2 3.22Å; Y273-V275 PolarHBondContact O-N 3.42Å; Y273-A276 PolarHBondContact O-N 3.14Å; Y273-A277 WeakPolarHBondContact O-CB 3.49Å; Y273-A277 PolarHBondContact O-N 2.62Å |
| 274 | R | 90.6 | Very high | 88.5 | Confident | 112 Ų | 112 | 74 Ų | 74 | 42% | 0.423 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.1 | -34 | 176.4 | -170.7 | 179.2 | -71.7 | -135.6 | -5.7 | 113.1 | L264 D268 S270 E272 R278 | L264-R274 HydrophobicContact CD2-CB 4.43Å; D268-R274 PolarHBondContact O-NH2 3.19Å; S270-R274 VanDerWaalsContact O-CB 3.23Å; S270-R274 WeakPolarHBondContact O-CB 3.49Å; S270-R274 PolarHBondContact O-N 3.15Å; E272-R274 PolarHBondContact O-N 3.33Å; R274-R278 WeakPolarHBondContact O-CD 3.45Å; R274-R278 VanDerWaalsContact O-CG 3.29Å; R274-R278 WeakPolarHBondContact O-CG 3.43Å; R274-R278 PolarHBondContact O-N 2.79Å |
| 275 | V | 91.6 | Very high | 88.8 | Confident | 71 Ų | 71 | 75.3 Ų | 75.3 | 43% | 0.43 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -77.5 | -40.4 | 174.3 | 166.5 | 0 | 0 | 0 | 0 | 111.3 | T271 E272 Y273 R278 K279 | T271-V275 WeakPolarHBondContact O-CB 3.43Å; T271-V275 VanDerWaalsContact O-CG2 3.25Å; T271-V275 WeakPolarHBondContact O-CG2 3.45Å; T271-V275 PolarHBondContact O-N 2.91Å; E272-V275 PolarHBondContact O-N 3.04Å; E272-V275 VanDerWaalsContact O-N 3.07Å; Y273-V275 PolarHBondContact O-N 3.42Å; V275-R278 PolarHBondContact O-N 2.74Å; V275-K279 HydrophobicContact CG1-CD 4.31Å; V275-K279 WeakPolarHBondContact O-CG 3.46Å; V275-K279 PolarHBondContact O-N 3.26Å; V275-K279 VanDerWaalsContact O-N 3.11Å |
| 276 | A | 92.6 | Very high | 89.2 | Confident | 10 Ų | 10 | 74.3 Ų | 74.3 | 8% | 0.083 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.5 | -50.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y215 F216 E272 Y273 R278 K279 F280 | Y215-A276 HydrophobicContact CD1-CB 4.37Å; Y215-A276 HydrophobicContact CD2-CB 3.48Å; Y215-A276 VanDerWaalsContact CD2-CB 3.48Å; Y215-A276 HydrophobicContact CE2-CB 3.81Å; Y215-A276 HydrophobicContact CG-CB 3.8Å; F216-A276 HydrophobicContact CE2-CB 4.21Å; F216-A276 HydrophobicContact CZ-CB 4.04Å; E272-A276 WeakPolarHBondContact O-CB 3.08Å; E272-A276 PolarHBondContact O-N 2.83Å; Y273-A276 PolarHBondContact O-N 3.14Å; A276-R278 PolarHBondContact O-N 2.64Å; A276-K279 WeakPolarHBondContact O-CB 3.37Å; A276-K279 PolarHBondContact O-N 3.2Å; A276-K279 VanDerWaalsContact O-N 3.11Å; A276-F280 WeakPolarHBondContact O-CB 3.43Å; A276-F280 PolarHBondContact O-N 2.93Å |
| 277 | A | 92.7 | Very high | 89.5 | Confident | 2 Ų | 2 | 72.4 Ų | 72.4 | 2% | 0.017 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.1 | -48.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F216 V260 L264 Y273 K279 F280 T281 | F216-A277 HydrophobicContact CE1-CB 4.44Å; F216-A277 HydrophobicContact CZ-CB 4.32Å; V260-A277 HydrophobicContact CG1-CB 3.66Å; L264-A277 HydrophobicContact CD1-CB 3.92Å; L264-A277 HydrophobicContact CD2-CB 3.7Å; L264-A277 HydrophobicContact CG-CB 3.81Å; Y273-A277 WeakPolarHBondContact O-CB 3.49Å; Y273-A277 PolarHBondContact O-N 2.62Å; A277-K279 VanDerWaalsContact C-N 3.34Å; A277-K279 PolarHBondContact O-N 3.14Å; A277-F280 PolarHBondContact O-N 3.29Å; A277-F280 VanDerWaalsContact O-N 3.1Å; A277-T281 PolarHBondContact O-N 3.26Å; A277-T281 PolarHBondContact O-OG1 3.41Å; A277-T281 VanDerWaalsContact O-OG1 3.09Å |
| 278 | R | 92.4 | Very high | 89.9 | Confident | 172 Ų | 172 | 71.8 Ų | 71.8 | 65% | 0.649 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60 | -40.5 | 176.8 | -74.6 | 172.5 | 173.8 | -167.2 | -2.9 | 112.9 | R274 V275 A276 L282 | R274-R278 WeakPolarHBondContact O-CD 3.45Å; R274-R278 VanDerWaalsContact O-CG 3.29Å; R274-R278 WeakPolarHBondContact O-CG 3.43Å; R274-R278 PolarHBondContact O-N 2.79Å; V275-R278 PolarHBondContact O-N 2.74Å; A276-R278 PolarHBondContact O-N 2.64Å; R278-L282 WeakPolarHBondContact O-CG 3.35Å; R278-L282 PolarHBondContact O-N 2.55Å |
| 279 | K | 92.6 | Very high | 90.8 | Very high | 142 Ų | 142 | 70 Ų | 70 | 62% | 0.617 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.1 | -42.6 | 173.4 | -69.2 | 167.9 | -179.8 | 173.6 | 0 | 111 | V275 A276 A277 L282 V283 | V275-K279 HydrophobicContact CG1-CD 4.31Å; V275-K279 WeakPolarHBondContact O-CG 3.46Å; V275-K279 PolarHBondContact O-N 3.26Å; V275-K279 VanDerWaalsContact O-N 3.11Å; A276-K279 WeakPolarHBondContact O-CB 3.37Å; A276-K279 PolarHBondContact O-N 3.2Å; A276-K279 VanDerWaalsContact O-N 3.11Å; A277-K279 VanDerWaalsContact C-N 3.34Å; A277-K279 PolarHBondContact O-N 3.14Å; K279-L282 PolarHBondContact O-N 3.49Å; K279-V283 WeakPolarHBondContact O-CG2 3.44Å; K279-V283 PolarHBondContact O-N 3.17Å |
| 280 | F | 94 | Very high | 91.4 | Very high | 5 Ų | 5 | 66 Ų | 66 | 2% | 0.022 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.1 | -44.4 | -175.2 | -157.2 | -95.9 | 0 | 0 | 0 | 112.4 | F207 D211 F216 F234 V260 A276 A277 L282 V283 I284 | F207-F280 HydrophobicContact CB-CZ 3.94Å; F207-F280 HydrophobicContact CD1-CE1 4.03Å; F207-F280 HydrophobicContact CD1-CE2 4.26Å; F207-F280 AromaticContact CD1-CZ 3.67Å; F207-F280 HydrophobicContact CD1-CZ 3.67Å; F207-F280 HydrophobicContact CG-CZ 4.14Å; D211-F280 HydrophobicContact CB-CE2 4.15Å; F216-F280 HydrophobicContact CD2-CD1 4.47Å; F216-F280 AromaticContact CD2-CD2 3.86Å; F216-F280 HydrophobicContact CD2-CD2 3.86Å; F216-F280 HydrophobicContact CD2-CE2 4.11Å; F216-F280 HydrophobicContact CD2-CG 4.04Å; F216-F280 HydrophobicContact CE2-CB 3.76Å; F216-F280 HydrophobicContact CE2-CD1 4.44Å; F216-F280 AromaticContact CE2-CD2 3.76Å; F216-F280 HydrophobicContact CE2-CD2 3.76Å; F216-F280 HydrophobicContact CE2-CE2 4.47Å; F216-F280 AromaticContact CE2-CG 3.73Å; F216-F280 HydrophobicContact CE2-CG 3.73Å; F216-F280 HydrophobicContact CZ-CB 3.94Å; F216-F280 HydrophobicContact CZ-CG 4.25Å; F234-F280 HydrophobicContact CE2-CZ 4.47Å; F234-F280 HydrophobicContact CZ-CE1 4.33Å; F234-F280 AromaticContact CZ-CZ 3.85Å; F234-F280 HydrophobicContact CZ-CZ 3.85Å; V260-F280 HydrophobicContact CG2-CD1 3.62Å; V260-F280 HydrophobicContact CG2-CE1 4.28Å; V260-F280 HydrophobicContact CG2-CG 4.48Å; A276-F280 WeakPolarHBondContact O-CB 3.43Å; A276-F280 PolarHBondContact O-N 2.93Å; A277-F280 PolarHBondContact O-N 3.29Å; A277-F280 VanDerWaalsContact O-N 3.1Å; F280-L282 VanDerWaalsContact C-N 3.29Å; F280-L282 PolarHBondContact O-N 3.21Å; F280-V283 CarbonylContact O-C 3.57Å; F280-V283 WeakPolarHBondContact O-CA 3.29Å; F280-V283 WeakPolarHBondContact O-CB 3.33Å; F280-V283 PolarHBondContact O-N 3.38Å; F280-I284 HydrophobicContact CD1-CD1 3.77Å; F280-I284 HydrophobicContact CD1-CG1 4.12Å; F280-I284 HydrophobicContact CE1-CD1 3.94Å; F280-I284 HydrophobicContact CE1-CG1 4.19Å; F280-I284 PolarHBondContact O-N 2.93Å |
| 281 | T | 93.8 | Very high | 91.5 | Very high | 47 Ų | 47 | 71.3 Ų | 71.3 | 29% | 0.288 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.6 | -39.6 | 173.2 | -53.2 | 0 | 0 | 0 | 0 | 112 | A277 V283 I284 D285 | A277-T281 PolarHBondContact O-N 3.26Å; A277-T281 PolarHBondContact O-OG1 3.41Å; A277-T281 VanDerWaalsContact O-OG1 3.09Å; T281-V283 VanDerWaalsContact C-N 3.3Å; T281-V283 PolarHBondContact O-N 3.22Å; T281-I284 WeakPolarHBondContact O-CB 3.39Å; T281-I284 PolarHBondContact O-N 3.3Å; T281-D285 PolarHBondContact O-N 3.46Å |
| 282 | L | 94.6 | Very high | 91.6 | Very high | 124 Ų | 124 | 68 Ų | 68 | 65% | 0.649 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.1 | -31.7 | 174.8 | -69.3 | 170.1 | 0 | 0 | 0 | 112.8 | R278 K279 F280 Y286 | R278-L282 WeakPolarHBondContact O-CG 3.35Å; R278-L282 PolarHBondContact O-N 2.55Å; K279-L282 PolarHBondContact O-N 3.49Å; F280-L282 VanDerWaalsContact C-N 3.29Å; F280-L282 PolarHBondContact O-N 3.21Å; L282-Y286 VanDerWaalsContact O-CB 3.31Å; L282-Y286 WeakPolarHBondContact O-CB 3.37Å; L282-Y286 PolarHBondContact O-N 3.16Å; L282-Y286 VanDerWaalsContact O-N 3.13Å |
| 283 | V | 94 | Very high | 91.4 | Very high | 37 Ų | 37 | 63.1 Ų | 63.1 | 22% | 0.224 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -73.1 | -37.7 | 172.7 | 177.2 | 0 | 0 | 0 | 0 | 111 | F207 K210 K279 F280 T281 Y286 M287 | F207-V283 HydrophobicContact CD1-CG1 4.35Å; F207-V283 HydrophobicContact CE1-CG1 3.99Å; K210-V283 HydrophobicContact CB-CG1 4.43Å; K210-V283 HydrophobicContact CG-CG1 4.13Å; K279-V283 WeakPolarHBondContact O-CG2 3.44Å; K279-V283 PolarHBondContact O-N 3.17Å; F280-V283 CarbonylContact O-C 3.57Å; F280-V283 WeakPolarHBondContact O-CA 3.29Å; F280-V283 WeakPolarHBondContact O-CB 3.33Å; F280-V283 PolarHBondContact O-N 3.38Å; T281-V283 VanDerWaalsContact C-N 3.3Å; T281-V283 PolarHBondContact O-N 3.22Å; V283-Y286 PolarHBondContact O-N 3.36Å; V283-M287 HydrophobicContact CG1-CG 4.29Å; V283-M287 WeakPolarHBondContact O-CB 3.41Å; V283-M287 VanDerWaalsContact O-CG 3.31Å; V283-M287 WeakPolarHBondContact O-CG 3.25Å; V283-M287 PolarHBondContact O-N 2.87Å |
| 284 | I | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.8 | -60.5 | 171.2 | -67.5 | 171.9 | 0 | 0 | 0 | 109.3 | F207 K253 L256 E257 V260 F280 T281 Y286 M287 F288 | F207-I284 HydrophobicContact CD1-CG1 4.36Å; F207-I284 HydrophobicContact CE1-CB 4.31Å; F207-I284 HydrophobicContact CE1-CG1 3.58Å; F207-I284 HydrophobicContact CZ-CB 4.43Å; F207-I284 HydrophobicContact CZ-CG1 3.95Å; K253-I284 HydrophobicContact CD-CG2 4.14Å; K253-I284 HydrophobicContact CG-CG2 3.93Å; L256-I284 HydrophobicContact CB-CD1 3.94Å; E257-I284 HydrophobicContact CG-CD1 4.47Å; E257-I284 HydrophobicContact CG-CG2 4.41Å; V260-I284 HydrophobicContact CG2-CD1 4.28Å; F280-I284 HydrophobicContact CD1-CD1 3.77Å; F280-I284 HydrophobicContact CD1-CG1 4.12Å; F280-I284 HydrophobicContact CE1-CD1 3.94Å; F280-I284 HydrophobicContact CE1-CG1 4.19Å; F280-I284 PolarHBondContact O-N 2.93Å; T281-I284 WeakPolarHBondContact O-CB 3.39Å; T281-I284 PolarHBondContact O-N 3.3Å; I284-Y286 PolarHBondContact O-N 3.02Å; I284-Y286 VanDerWaalsContact O-N 3.14Å; I284-M287 PolarHBondContact O-N 3.42Å; I284-F288 HydrophobicContact CB-CD2 4.48Å; I284-F288 HydrophobicContact CG2-CD2 3.65Å; I284-F288 HydrophobicContact CG2-CE2 3.93Å; I284-F288 VanDerWaalsContact O-CD2 3.27Å; I284-F288 WeakPolarHBondContact O-CD2 3.39Å; I284-F288 PolarHBondContact O-N 2.91Å |
| 285 | D | 93.9 | Very high | 90.9 | Very high | 78 Ų | 78 | 60.3 Ų | 60.3 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.8 | -31.7 | -177.8 | -79.2 | -31.4 | 0 | 0 | 0 | 113.6 | K253 T281 S289 | K253-D285 IonicContact NZ-OD1 2.92Å; K253-D285 PolarHBondContact NZ-OD1 3.47Å; T281-D285 PolarHBondContact O-N 3.46Å; D285-S289 PolarHBondContact O-N 3.02Å; D285-S289 VanDerWaalsContact O-N 3.16Å |
| 286 | Y | 93.5 | Very high | 90.5 | Very high | 88 Ų | 88 | 57.5 Ų | 57.5 | 35% | 0.345 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.7 | -44.2 | 172.2 | 172.1 | -107.4 | 0 | 0 | 0 | 113 | L22 L282 V283 I284 S289 K292 | L22-Y286 HydrophobicContact CD1-CE2 4Å; L22-Y286 VanDerWaalsContact CD1-OH 3.31Å; L22-Y286 WeakPolarHBondContact CD1-OH 3.35Å; L22-Y286 HydrophobicContact CD2-CE1 4.3Å; L22-Y286 HydrophobicContact CD2-CE2 4.38Å; L22-Y286 WeakPolarHBondContact CD2-OH 3.46Å; L282-Y286 VanDerWaalsContact O-CB 3.31Å; L282-Y286 WeakPolarHBondContact O-CB 3.37Å; L282-Y286 PolarHBondContact O-N 3.16Å; L282-Y286 VanDerWaalsContact O-N 3.13Å; V283-Y286 PolarHBondContact O-N 3.36Å; I284-Y286 PolarHBondContact O-N 3.02Å; I284-Y286 VanDerWaalsContact O-N 3.14Å; Y286-S289 VanDerWaalsContact O-CB 3.23Å; Y286-S289 WeakPolarHBondContact O-CB 3.48Å; Y286-S289 PolarHBondContact O-N 2.9Å; Y286-K292 HydrophobicContact CE1-CD 4.33Å; Y286-K292 HydrophobicContact CE1-CG 4.36Å; Y286-K292 VanDerWaalsContact O-CB 3.29Å; Y286-K292 WeakPolarHBondContact O-CB 3.39Å |
| 287 | M | 91.9 | Very high | 89.9 | Confident | 9 Ų | 9 | 59.6 Ų | 59.6 | 4% | 0.044 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.4 | -32.1 | -179.2 | -75.6 | -64.3 | -63 | 0 | 0 | 113.3 | Y203 V206 F207 V283 I284 S289 K292 L296 | Y203-M287 HydrophobicContact CD1-CE 4.47Å; Y203-M287 HydrophobicContact CE1-CB 4.13Å; Y203-M287 HydrophobicContact CE1-CE 4.25Å; Y203-M287 WeakPolarHBondContact CE1-O 3.48Å; Y203-M287 PolarHBondContact OH-O 3.14Å; V206-M287 HydrophobicContact CB-CE 4.29Å; V206-M287 HydrophobicContact CG1-CE 3.82Å; V206-M287 HydrophobicContact CG1-SD 4.12Å; V206-M287 HydrophobicContact CG2-CE 4.45Å; F207-M287 HydrophobicContact CE1-CG 4.47Å; F207-M287 HydrophobicContact CZ-CB 3.85Å; F207-M287 HydrophobicContact CZ-CG 4.19Å; V283-M287 HydrophobicContact CG1-CG 4.29Å; V283-M287 WeakPolarHBondContact O-CB 3.41Å; V283-M287 VanDerWaalsContact O-CG 3.31Å; V283-M287 WeakPolarHBondContact O-CG 3.25Å; V283-M287 PolarHBondContact O-N 2.87Å; I284-M287 PolarHBondContact O-N 3.42Å; M287-S289 VanDerWaalsContact C-N 3.33Å; M287-K292 HydrophobicContact SD-CG 4.18Å; M287-L296 HydrophobicContact CE-CD1 4.04Å |
| 288 | F | 91.4 | Very high | 89.3 | Confident | 28 Ų | 28 | 68.8 Ų | 68.8 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 17.9 | 172.1 | -62.5 | -86.3 | 0 | 0 | 0 | 112.6 | Y203 F207 L249 L252 K253 L256 I284 M293 | Y203-F288 HydrophobicContact CD1-CD1 4.45Å; Y203-F288 AromaticContact CD1-CE1 3.85Å; Y203-F288 HydrophobicContact CD1-CE1 3.85Å; Y203-F288 HydrophobicContact CD1-CE2 4.17Å; Y203-F288 AromaticContact CD1-CZ 3.69Å; Y203-F288 HydrophobicContact CD1-CZ 3.69Å; Y203-F288 AromaticContact CE1-CD1 3.95Å; Y203-F288 HydrophobicContact CE1-CD1 3.95Å; Y203-F288 HydrophobicContact CE1-CD2 4.47Å; Y203-F288 AromaticContact CE1-CE1 3.81Å; Y203-F288 HydrophobicContact CE1-CE1 3.81Å; Y203-F288 HydrophobicContact CE1-CE2 4.33Å; Y203-F288 HydrophobicContact CE1-CG 4.29Å; Y203-F288 HydrophobicContact CE1-CZ 4Å; F207-F288 AromaticContact CE2-CE2 3.7Å; F207-F288 HydrophobicContact CE2-CE2 3.7Å; F207-F288 HydrophobicContact CE2-CZ 4.15Å; F207-F288 HydrophobicContact CZ-CD2 4.24Å; F207-F288 AromaticContact CZ-CE2 3.62Å; F207-F288 HydrophobicContact CZ-CE2 3.62Å; L249-F288 HydrophobicContact CD1-CD1 4.34Å; L249-F288 HydrophobicContact CD1-CE1 3.6Å; L249-F288 HydrophobicContact CD1-CZ 4.48Å; L249-F288 HydrophobicContact CD2-CD1 4.22Å; L249-F288 HydrophobicContact CD2-CE1 4.29Å; L249-F288 HydrophobicContact CG-CD1 3.89Å; L249-F288 HydrophobicContact CG-CE1 3.61Å; L249-F288 WeakPolarHBondContact O-CE1 3.28Å; L252-F288 HydrophobicContact CD2-CZ 4.37Å; L252-F288 HydrophobicContact CG-CZ 4.28Å; K253-F288 HydrophobicContact CB-CD1 3.87Å; K253-F288 HydrophobicContact CB-CD2 4.07Å; K253-F288 HydrophobicContact CB-CE1 3.75Å; K253-F288 HydrophobicContact CB-CE2 3.99Å; K253-F288 HydrophobicContact CB-CG 4.04Å; K253-F288 HydrophobicContact CB-CZ 3.83Å; K253-F288 HydrophobicContact CD-CB 3.99Å; K253-F288 HydrophobicContact CD-CD2 4.13Å; K253-F288 HydrophobicContact CD-CG 4.01Å; K253-F288 HydrophobicContact CG-CD2 4.02Å; K253-F288 HydrophobicContact CG-CE2 4.23Å; K253-F288 HydrophobicContact CG-CG 4.2Å; L256-F288 HydrophobicContact CD1-CE2 3.75Å; L256-F288 HydrophobicContact CD1-CZ 3.76Å; I284-F288 HydrophobicContact CB-CD2 4.48Å; I284-F288 HydrophobicContact CG2-CD2 3.65Å; I284-F288 HydrophobicContact CG2-CE2 3.93Å; I284-F288 VanDerWaalsContact O-CD2 3.27Å; I284-F288 WeakPolarHBondContact O-CD2 3.39Å; I284-F288 PolarHBondContact O-N 2.91Å; F288-M293 HydrophobicContact CB-SD 4.49Å |
| 289 | S | 90 | Very high | 88.9 | Confident | 42 Ų | 42 | 63.5 Ų | 63.5 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -74.2 | 137.4 | 168.7 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | D285 Y286 M287 E291 K292 M293 | D285-S289 PolarHBondContact O-N 3.02Å; D285-S289 VanDerWaalsContact O-N 3.16Å; Y286-S289 VanDerWaalsContact O-CB 3.23Å; Y286-S289 WeakPolarHBondContact O-CB 3.48Å; Y286-S289 PolarHBondContact O-N 2.9Å; M287-S289 VanDerWaalsContact C-N 3.33Å; S289-E291 PolarHBondContact O-N 3.12Å; S289-E291 VanDerWaalsContact O-N 3.1Å; S289-K292 PolarHBondContact O-N 3.38Å; S289-M293 WeakPolarHBondContact O-CG 3.47Å; S289-M293 PolarHBondContact O-N 2.87Å |
| 290 | K | 85.8 | Confident | 88.1 | Confident | 122 Ų | 122 | 58.7 Ų | 58.7 | 53% | 0.53 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -50.7 | -37.8 | 177.8 | 175.7 | 158.8 | -173.8 | 161.6 | 0 | 113 | L294 F313 | K290-L294 HydrophobicContact CD-CD1 4.45Å; K290-L294 HydrophobicContact CG-CD1 3.81Å; K290-L294 HydrophobicContact CG-CG 4.34Å; K290-L294 VanDerWaalsContact O-CB 3.32Å; K290-L294 WeakPolarHBondContact O-CB 3.48Å; K290-L294 VanDerWaalsContact O-CG 3.25Å; K290-L294 WeakPolarHBondContact O-CG 3.35Å; K290-L294 PolarHBondContact O-N 3.14Å; K290-F313 HydrophobicContact CB-CE1 3.97Å; K290-F313 HydrophobicContact CB-CZ 4.39Å; K290-F313 HydrophobicContact CD-CD1 4.34Å; K290-F313 HydrophobicContact CD-CE1 3.86Å; K290-F313 HydrophobicContact CD-CZ 4.37Å; K290-F313 HydrophobicContact CG-CE1 3.65Å; K290-F313 HydrophobicContact CG-CZ 3.85Å |
| 291 | E | 86.7 | Confident | 87.1 | Confident | 144 Ų | 144 | 64.4 Ų | 64.4 | 67% | 0.673 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -67.1 | -41.6 | 178 | -65.9 | -179.4 | -174.4 | 0 | 0 | 112.2 | S289 S295 | S289-E291 PolarHBondContact O-N 3.12Å; S289-E291 VanDerWaalsContact O-N 3.1Å; E291-S295 WeakPolarHBondContact O-CB 3.33Å; E291-S295 PolarHBondContact O-N 3.46Å |
| 292 | K | 88.2 | Confident | 85.8 | Confident | 37 Ų | 37 | 63.6 Ų | 63.6 | 16% | 0.161 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -72.2 | -41.7 | 179.4 | -176 | 52 | 169.9 | 175.6 | 0 | 111.4 | Y286 M287 S289 S295 L296 | Y286-K292 HydrophobicContact CE1-CD 4.33Å; Y286-K292 HydrophobicContact CE1-CG 4.36Å; Y286-K292 VanDerWaalsContact O-CB 3.29Å; Y286-K292 WeakPolarHBondContact O-CB 3.39Å; M287-K292 HydrophobicContact SD-CG 4.18Å; S289-K292 PolarHBondContact O-N 3.38Å; K292-S295 WeakPolarHBondContact O-CB 3.38Å; K292-S295 PolarHBondContact O-N 3.18Å; K292-L296 HydrophobicContact CD-CD1 4.3Å; K292-L296 HydrophobicContact CD-CG 4.31Å; K292-L296 HydrophobicContact CG-CD1 4.21Å; K292-L296 WeakPolarHBondContact O-CG 3.44Å; K292-L296 PolarHBondContact O-N 2.79Å |
| 293 | M | 85.1 | Confident | 84.8 | Confident | 16 Ų | 16 | 58.1 Ų | 58.1 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.8 | -50 | 174.9 | -68.4 | 159.1 | 62.5 | 0 | 0 | 111.6 | Y203 L249 F288 S289 S295 L296 Q297 L311 F313 | Y203-M293 WeakPolarHBondContact OH-CG 3.44Å; L249-M293 HydrophobicContact CD2-CE 4.12Å; L249-M293 HydrophobicContact CD2-CG 4.39Å; F288-M293 HydrophobicContact CB-SD 4.49Å; S289-M293 WeakPolarHBondContact O-CG 3.47Å; S289-M293 PolarHBondContact O-N 2.87Å; M293-S295 VanDerWaalsContact C-N 3.25Å; M293-S295 PolarHBondContact O-N 2.95Å; M293-L296 PolarHBondContact O-N 3.01Å; M293-L296 VanDerWaalsContact O-N 3.15Å; M293-Q297 WeakPolarHBondContact O-CB 3.1Å; M293-Q297 PolarHBondContact O-N 3.1Å; M293-L311 HydrophobicContact CB-CD1 4.48Å; M293-L311 HydrophobicContact CE-CD1 4Å; M293-L311 HydrophobicContact CE-CG 3.94Å; M293-L311 WeakPolarHBondContact CE-O 3.5Å; M293-F313 HydrophobicContact CB-CZ 4Å; M293-F313 HydrophobicContact CE-CD1 4.43Å; M293-F313 HydrophobicContact CE-CE1 3.72Å; M293-F313 HydrophobicContact CE-CZ 3.81Å; M293-F313 HydrophobicContact SD-CE1 4.5Å |
| 294 | L | 83.2 | Confident | 83.6 | Confident | 44 Ų | 44 | 63.3 Ų | 63.3 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.4 | -27.6 | 175 | -71.7 | 172.8 | 0 | 0 | 0 | 113.1 | K290 R298 F313 | K290-L294 HydrophobicContact CD-CD1 4.45Å; K290-L294 HydrophobicContact CG-CD1 3.81Å; K290-L294 HydrophobicContact CG-CG 4.34Å; K290-L294 VanDerWaalsContact O-CB 3.32Å; K290-L294 WeakPolarHBondContact O-CB 3.48Å; K290-L294 VanDerWaalsContact O-CG 3.25Å; K290-L294 WeakPolarHBondContact O-CG 3.35Å; K290-L294 PolarHBondContact O-N 3.14Å; L294-R298 WeakPolarHBondContact O-CG 3.19Å; L294-F313 HydrophobicContact CD2-CE2 3.64Å; L294-F313 HydrophobicContact CD2-CZ 4.16Å; L294-F313 HydrophobicContact CG-CE2 3.95Å; L294-F313 HydrophobicContact CG-CZ 3.94Å |
| 295 | S | 85.6 | Confident | 82.5 | Confident | 48 Ų | 48 | 71.9 Ų | 71.9 | 34% | 0.336 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -72.4 | -40.3 | 172.4 | -172.2 | 0 | 0 | 0 | 0 | 112 | E291 K292 M293 R298 A299 | E291-S295 WeakPolarHBondContact O-CB 3.33Å; E291-S295 PolarHBondContact O-N 3.46Å; K292-S295 WeakPolarHBondContact O-CB 3.38Å; K292-S295 PolarHBondContact O-N 3.18Å; M293-S295 VanDerWaalsContact C-N 3.25Å; M293-S295 PolarHBondContact O-N 2.95Å; S295-R298 PolarHBondContact O-N 3.26Å; S295-A299 WeakPolarHBondContact O-CB 3.39Å; S295-A299 PolarHBondContact O-N 3.01Å; S295-A299 VanDerWaalsContact O-N 3.17Å |
| 296 | L | 83.9 | Confident | 81.6 | Confident | 12 Ų | 12 | 68.4 Ų | 68.4 | 6% | 0.063 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70 | -39.1 | 178 | -72.9 | 170.1 | 0 | 0 | 0 | 111.6 | F202 Y203 M287 K292 M293 R298 A299 L300 | F202-L296 HydrophobicContact CE1-CD1 4.1Å; F202-L296 HydrophobicContact CE1-CD2 3.67Å; F202-L296 HydrophobicContact CZ-CD2 3.92Å; Y203-L296 HydrophobicContact CE2-CD1 3.71Å; Y203-L296 WeakPolarHBondContact OH-CD1 3.48Å; M287-L296 HydrophobicContact CE-CD1 4.04Å; K292-L296 HydrophobicContact CD-CD1 4.3Å; K292-L296 HydrophobicContact CD-CG 4.31Å; K292-L296 HydrophobicContact CG-CD1 4.21Å; K292-L296 WeakPolarHBondContact O-CG 3.44Å; K292-L296 PolarHBondContact O-N 2.79Å; M293-L296 PolarHBondContact O-N 3.01Å; M293-L296 VanDerWaalsContact O-N 3.15Å; L296-R298 PolarHBondContact O-N 3.46Å; L296-A299 PolarHBondContact O-N 2.9Å; L296-L300 HydrophobicContact CB-CD1 4.38Å; L296-L300 HydrophobicContact CD2-CD1 4.48Å; L296-L300 PolarHBondContact O-N 2.93Å |
| 297 | Q | 79.6 | Confident | 80.7 | Confident | 55 Ų | 55 | 67.2 Ų | 67.2 | 26% | 0.257 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60 | -27.3 | 175 | -164.1 | -177 | 23.9 | 0 | 0 | 113.3 | M293 M303 L311 | M293-Q297 WeakPolarHBondContact O-CB 3.1Å; M293-Q297 PolarHBondContact O-N 3.1Å; Q297-M303 HydrophobicContact CB-CG 4.42Å; Q297-M303 HydrophobicContact CG-CG 4.2Å; Q297-L311 HydrophobicContact CB-CD2 4.39Å; Q297-L311 HydrophobicContact CG-CD2 4.31Å |
| 298 | R | 80.8 | Confident | 79.8 | Confident | 195 Ų | 195 | 68.6 Ų | 68.6 | 74% | 0.736 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -89.7 | -20.2 | 174.2 | -64.5 | 175 | -161.5 | 133.6 | 2.3 | 114.1 | L294 S295 L296 | L294-R298 WeakPolarHBondContact O-CG 3.19Å; S295-R298 PolarHBondContact O-N 3.26Å; L296-R298 PolarHBondContact O-N 3.46Å |
| 299 | A | 82.7 | Confident | 79 | Confident | 60 Ų | 60 | 74.5 Ų | 74.5 | 50% | 0.496 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -96.9 | -29.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S295 L296 | S295-A299 WeakPolarHBondContact O-CB 3.39Å; S295-A299 PolarHBondContact O-N 3.01Å; S295-A299 VanDerWaalsContact O-N 3.17Å; L296-A299 PolarHBondContact O-N 2.9Å |
| 300 | L | 77.7 | Confident | 78.5 | Confident | 42 Ų | 42 | 75.4 Ų | 75.4 | 22% | 0.22 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -90.1 | 128.3 | -177.4 | -66 | 173.6 | 0 | 0 | 0 | 111.1 | L199 F202 L296 M303 | L199-L300 HydrophobicContact CD1-CD1 3.77Å; F202-L300 HydrophobicContact CD1-CD1 4.09Å; F202-L300 HydrophobicContact CD2-CD2 4.43Å; F202-L300 HydrophobicContact CE1-CD1 4.33Å; F202-L300 HydrophobicContact CE2-CD2 4.37Å; F202-L300 HydrophobicContact CG-CD1 4.34Å; L296-L300 HydrophobicContact CB-CD1 4.38Å; L296-L300 HydrophobicContact CD2-CD1 4.48Å; L296-L300 PolarHBondContact O-N 2.93Å; L300-M303 HydrophobicContact CB-CB 4Å; L300-M303 HydrophobicContact CB-CE 3.94Å; L300-M303 HydrophobicContact CB-CG 4.34Å; L300-M303 HydrophobicContact CD1-CE 4Å; L300-M303 VanDerWaalsContact O-CB 3.25Å; L300-M303 WeakPolarHBondContact O-CB 3.46Å; L300-M303 PolarHBondContact O-N 3.02Å |
| 301 | P | 72 | Confident | 77.9 | Confident | 124 Ų | 124 | 69.9 Ų | 69.9 | 81% | 0.805 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 145.8 | 176.7 | 27 | -34 | 0 | 0 | 0 | 111 | M303 | P301-M303 PolarHBondContact O-N 2.95Å; P301-M303 VanDerWaalsContact O-N 3.15Å |
| 302 | G | 66.8 | Low | 77.1 | Confident | 30 Ų | 30 | 63.9 Ų | 63.9 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | -11.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | H304 R305 | G302-H304 PolarHBondContact O-N 3.37Å; G302-H304 VanDerWaalsContact O-N 3.08Å; G302-R305 WeakPolarHBondContact O-CB 3.42Å; G302-R305 WeakPolarHBondContact O-CG 3.45Å; G302-R305 PolarHBondContact O-N 2.79Å |
| 303 | M | 72.8 | Confident | 76.1 | Confident | 10 Ų | 10 | 63.5 Ų | 63.5 | 5% | 0.049 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -69.3 | -10.6 | -172.6 | -152.7 | 54.9 | 54.5 | 0 | 0 | 114.8 | L199 Q297 L300 P301 R305 V306 | L199-M303 HydrophobicContact CB-CE 3.87Å; L199-M303 HydrophobicContact CB-SD 3.82Å; L199-M303 HydrophobicContact CD1-CE 3.97Å; L199-M303 HydrophobicContact CD1-SD 3.85Å; L199-M303 HydrophobicContact CD2-SD 3.85Å; L199-M303 HydrophobicContact CG-CE 4.42Å; L199-M303 HydrophobicContact CG-SD 4.04Å; Q297-M303 HydrophobicContact CB-CG 4.42Å; Q297-M303 HydrophobicContact CG-CG 4.2Å; L300-M303 HydrophobicContact CB-CB 4Å; L300-M303 HydrophobicContact CB-CE 3.94Å; L300-M303 HydrophobicContact CB-CG 4.34Å; L300-M303 HydrophobicContact CD1-CE 4Å; L300-M303 VanDerWaalsContact O-CB 3.25Å; L300-M303 WeakPolarHBondContact O-CB 3.46Å; L300-M303 PolarHBondContact O-N 3.02Å; P301-M303 PolarHBondContact O-N 2.95Å; P301-M303 VanDerWaalsContact O-N 3.15Å; M303-R305 PolarHBondContact O-N 3.47Å; M303-V306 PolarHBondContact O-N 2.92Å; M303-V306 HydrophobicContact SD-CB 4.21Å; M303-V306 HydrophobicContact SD-CG2 3.54Å; M303-V306 VanDerWaalsContact SD-CG2 3.54Å |
| 304 | H | 69.1 | Low | 74.8 | Confident | 145 Ų | 145 | 67.5 Ų | 67.5 | 67% | 0.671 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -63.5 | -13.2 | 167.6 | 62.4 | -101.6 | 0 | 0 | 0 | 113.6 | G302 | G302-H304 PolarHBondContact O-N 3.37Å; G302-H304 VanDerWaalsContact O-N 3.08Å |
| 305 | R | 71.2 | Confident | 73.2 | Confident | 180 Ų | 180 | 73 Ų | 73 | 68% | 0.679 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -87.4 | -14 | 177.2 | -60 | -174.3 | 179.1 | -168.6 | -3 | 114 | P195 G302 M303 | P195-R305 HydrophobicContact CB-CB 4.29Å; P195-R305 HydrophobicContact CG-CB 4.07Å; G302-R305 WeakPolarHBondContact O-CB 3.42Å; G302-R305 WeakPolarHBondContact O-CG 3.45Å; G302-R305 PolarHBondContact O-N 2.79Å; M303-R305 PolarHBondContact O-N 3.47Å |
| 306 | V | 75 | Confident | 71.2 | Confident | 5 Ų | 5 | 74.8 Ų | 74.8 | 3% | 0.03 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -82 | 122.9 | 175.4 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | P195 L196 M303 Q310 L311 | P195-V306 HydrophobicContact CB-CG2 3.94Å; L196-V306 HydrophobicContact CB-CG2 4.42Å; L196-V306 HydrophobicContact CD1-CG1 4.42Å; M303-V306 PolarHBondContact O-N 2.92Å; M303-V306 HydrophobicContact SD-CB 4.21Å; M303-V306 HydrophobicContact SD-CG2 3.54Å; M303-V306 VanDerWaalsContact SD-CG2 3.54Å; V306-Q310 HydrophobicContact CG1-CB 3.8Å; V306-L311 HydrophobicContact CG1-CB 4.49Å |
| 307 | T | 74.7 | Confident | 69.2 | Low | 64 Ų | 64 | 80 Ų | 80 | 39% | 0.393 | 43% | 0.431 | S | S | . | . | trans | -70.8 | 158.2 | -175.8 | 69.4 | 0 | 0 | 0 | 0 | 111.5 | E309 Q310 L311 | T307-E309 PolarHBondContact O-N 3.4Å; T307-Q310 PolarHBondContact O-N 3.46Å; T307-Q310 WeakPolarHBondContact OG1-CB 3.49Å; T307-Q310 WeakPolarHBondContact OG1-CG 3.34Å; T307-Q310 PolarHBondContact OG1-N 3.34Å; T307-Q310 VanDerWaalsContact OG1-N 3.15Å; T307-L311 WeakPolarHBondContact O-CB 3.23Å; T307-L311 PolarHBondContact O-N 2.9Å | ||
| 308 | A | 72.9 | Confident | 67.5 | Low | 37 Ų | 37 | 85.7 Ų | 85.7 | 31% | 0.306 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -38 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L311 G312 F313 | A308-L311 CarbonylContact O-C 3.47Å; A308-L311 PolarHBondContact O-N 2.86Å; A308-G312 PolarHBondContact O-N 3.42Å; A308-F313 HydrophobicContact CB-CB 4.25Å; A308-F313 WeakPolarHBondContact O-CA 3.28Å; A308-F313 WeakPolarHBondContact O-CB 3.27Å; A308-F313 PolarHBondContact O-N 3.12Å |
| 309 | E | 75.4 | Confident | 65.5 | Low | 153 Ų | 153 | 85 Ų | 85 | 72% | 0.715 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -50 | 177.2 | -56.3 | 177.8 | 153.7 | 0 | 0 | 112.3 | T307 L311 G312 | T307-E309 PolarHBondContact O-N 3.4Å; E309-L311 PolarHBondContact O-N 2.91Å; E309-G312 WeakPolarHBondContact O-CA 3.4Å; E309-G312 PolarHBondContact O-N 3.18Å |
| 310 | Q | 78.7 | Confident | 63.5 | Low | 60 Ų | 60 | 89.8 Ų | 89.8 | 28% | 0.28 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -37.4 | 173.6 | -79.4 | 177 | -30.1 | 0 | 0 | 111.9 | L196 T248 L249 V306 T307 G312 | L196-Q310 HydrophobicContact CD1-CB 3.71Å; L196-Q310 HydrophobicContact CD1-CG 3.92Å; T248-Q310 CarbonylContact C-O 3.58Å; T248-Q310 WeakPolarHBondContact CA-O 3.31Å; L249-Q310 PolarHBondContact N-O 3.19Å; V306-Q310 HydrophobicContact CG1-CB 3.8Å; T307-Q310 PolarHBondContact O-N 3.46Å; T307-Q310 WeakPolarHBondContact OG1-CB 3.49Å; T307-Q310 WeakPolarHBondContact OG1-CG 3.34Å; T307-Q310 PolarHBondContact OG1-N 3.34Å; T307-Q310 VanDerWaalsContact OG1-N 3.15Å; Q310-G312 PolarHBondContact O-N 3.19Å |
| 311 | L | 74.2 | Confident | 61.7 | Low | 6 Ų | 6 | 95.2 Ų | 95.2 | 3% | 0.031 | 50% | 0.501 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 3.4 | 176.2 | -163.1 | 53.8 | 0 | 0 | 0 | 112.9 | L199 L249 M293 Q297 V306 T307 A308 E309 F313 | L199-L311 HydrophobicContact CD2-CD1 4.09Å; L249-L311 HydrophobicContact CD2-CD1 3.6Å; M293-L311 HydrophobicContact CB-CD1 4.48Å; M293-L311 HydrophobicContact CE-CD1 4Å; M293-L311 HydrophobicContact CE-CG 3.94Å; M293-L311 WeakPolarHBondContact CE-O 3.5Å; Q297-L311 HydrophobicContact CB-CD2 4.39Å; Q297-L311 HydrophobicContact CG-CD2 4.31Å; V306-L311 HydrophobicContact CG1-CB 4.49Å; T307-L311 WeakPolarHBondContact O-CB 3.23Å; T307-L311 PolarHBondContact O-N 2.9Å; A308-L311 CarbonylContact O-C 3.47Å; A308-L311 PolarHBondContact O-N 2.86Å; E309-L311 PolarHBondContact O-N 2.91Å; L311-F313 HydrophobicContact CB-CD2 4.29Å; L311-F313 HydrophobicContact CD2-CD2 4.01Å; L311-F313 HydrophobicContact CD2-CE2 3.54Å; L311-F313 HydrophobicContact CD2-CZ 4.36Å; L311-F313 HydrophobicContact CG-CD2 4.11Å; L311-F313 HydrophobicContact CG-CE2 3.83Å; L311-F313 HydrophobicContact CG-CZ 4.37Å; L311-F313 PolarHBondContact O-N 2.69Å |
| 312 | G | 69.7 | Low | 60 | Low | 19 Ų | 19 | 93.1 Ų | 93.1 | 20% | 0.196 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A308 E309 Q310 S314 | A308-G312 PolarHBondContact O-N 3.42Å; E309-G312 WeakPolarHBondContact O-CA 3.4Å; E309-G312 PolarHBondContact O-N 3.18Å; Q310-G312 PolarHBondContact O-N 3.19Å; G312-S314 PolarHBondContact O-N 3.48Å; G312-S314 VanDerWaalsContact O-N 3.14Å |
| 313 | F | 67.7 | Low | 58.9 | Low | 29 Ų | 29 | 96.3 Ų | 96.3 | 13% | 0.127 | 50% | 0.497 | C | S | . | . | trans | -82.7 | 86.8 | 170.7 | -59.8 | -37.5 | 0 | 0 | 0 | 109.2 | K290 M293 L294 A308 L311 E315 | K290-F313 HydrophobicContact CB-CE1 3.97Å; K290-F313 HydrophobicContact CB-CZ 4.39Å; K290-F313 HydrophobicContact CD-CD1 4.34Å; K290-F313 HydrophobicContact CD-CE1 3.86Å; K290-F313 HydrophobicContact CD-CZ 4.37Å; K290-F313 HydrophobicContact CG-CE1 3.65Å; K290-F313 HydrophobicContact CG-CZ 3.85Å; M293-F313 HydrophobicContact CB-CZ 4Å; M293-F313 HydrophobicContact CE-CD1 4.43Å; M293-F313 HydrophobicContact CE-CE1 3.72Å; M293-F313 HydrophobicContact CE-CZ 3.81Å; M293-F313 HydrophobicContact SD-CE1 4.5Å; L294-F313 HydrophobicContact CD2-CE2 3.64Å; L294-F313 HydrophobicContact CD2-CZ 4.16Å; L294-F313 HydrophobicContact CG-CE2 3.95Å; L294-F313 HydrophobicContact CG-CZ 3.94Å; A308-F313 HydrophobicContact CB-CB 4.25Å; A308-F313 WeakPolarHBondContact O-CA 3.28Å; A308-F313 WeakPolarHBondContact O-CB 3.27Å; A308-F313 PolarHBondContact O-N 3.12Å; L311-F313 HydrophobicContact CB-CD2 4.29Å; L311-F313 HydrophobicContact CD2-CD2 4.01Å; L311-F313 HydrophobicContact CD2-CE2 3.54Å; L311-F313 HydrophobicContact CD2-CZ 4.36Å; L311-F313 HydrophobicContact CG-CD2 4.11Å; L311-F313 HydrophobicContact CG-CE2 3.83Å; L311-F313 HydrophobicContact CG-CZ 4.37Å; L311-F313 PolarHBondContact O-N 2.69Å; F313-E315 VanDerWaalsContact C-N 3.31Å; F313-E315 PolarHBondContact O-N 3.36Å | ||
| 314 | S | 56.2 | Low | 57.5 | Low | 99 Ų | 99 | 107.9 Ų | 107.9 | 69% | 0.692 | 54% | 0.541 | S | S | * | . | trans | -64.2 | 96.2 | 162.7 | 51.9 | 0 | 0 | 0 | 0 | 109.3 | G312 T316 | G312-S314 PolarHBondContact O-N 3.48Å; G312-S314 VanDerWaalsContact O-N 3.14Å; S314-T316 PolarHBondContact O-N 3.03Å | ||
| 315 | E | 49.9 | Very low | 56.3 | Low | 159 Ų | 159 | 109.7 Ų | 109.7 | 74% | 0.743 | 55% | 0.546 | S | S | * | . | trans | -70.5 | 68.5 | 163.3 | -62.5 | -156.8 | 156.6 | 0 | 0 | 109.2 | F313 P317 | F313-E315 VanDerWaalsContact C-N 3.31Å; F313-E315 PolarHBondContact O-N 3.36Å; E315-P317 VanDerWaalsContact O-CD 3.3Å; E315-P317 WeakPolarHBondContact O-CD 3.42Å; E315-P317 VanDerWaalsContact O-N 3.11Å | ||
| 316 | T | 44.7 | Very low | 54.9 | Low | 86 Ų | 86 | 103.8 Ų | 103.8 | 53% | 0.528 | 54% | 0.541 | S | S | . | . | trans | -45.3 | 117.6 | 145.3 | 46.3 | 0 | 0 | 0 | 0 | 106.4 | S314 K318 | S314-T316 PolarHBondContact O-N 3.03Å; T316-K318 PolarHBondContact O-N 3.34Å | ||
| 317 | P | 41.3 | Very low | 53.8 | Low | 122 Ų | 122 | 113.5 Ų | 113.5 | 79% | 0.792 | 58% | 0.584 | S | S | * | * | trans | -67.7 | 94.1 | -179.7 | 26.3 | -33 | 0 | 0 | 0 | 107.1 | E315 Q319 | E315-P317 VanDerWaalsContact O-CD 3.3Å; E315-P317 WeakPolarHBondContact O-CD 3.42Å; E315-P317 VanDerWaalsContact O-N 3.11Å; P317-Q319 PolarHBondContact O-N 2.96Å | ||
| 318 | K | 43.7 | Very low | 52.6 | Low | 175 Ų | 175 | 115.8 Ų | 115.8 | 76% | 0.761 | 60% | 0.598 | S | S | * | * | trans | -70.7 | 86.1 | 167.6 | -71.9 | 174.1 | -175.4 | 170.5 | 0 | 105.8 | T316 L320 | T316-K318 PolarHBondContact O-N 3.34Å; K318-L320 PolarHBondContact O-N 3.4Å | ||
| 319 | Q | 38.7 | Very low | 51.7 | Low | 180 Ų | 180 | 122.3 Ų | 122.3 | 84% | 0.841 | 63% | 0.627 | S | S | * | * | trans | -30.2 | 128 | 144.5 | -72.3 | -176.7 | -24 | 0 | 0 | 107.1 | P317 H321 | P317-Q319 PolarHBondContact O-N 2.96Å; Q319-H321 PolarHBondContact O-N 3.47Å | ||
| 320 | L | 40.3 | Very low | 50.6 | Low | 161 Ų | 161 | 125.1 Ų | 125.1 | 84% | 0.843 | 63% | 0.631 | S | S | * | * | trans | -70.3 | 71.2 | -167.7 | -80.3 | 165.5 | 0 | 0 | 0 | 111.2 | K318 C322 | K318-L320 PolarHBondContact O-N 3.4Å; L320-C322 VanDerWaalsContact C-N 3.3Å; L320-C322 PolarHBondContact O-N 2.93Å; L320-C322 PolarHBondContact O-SG 2.79Å | ||
| 321 | H | 40 | Very low | 49.3 | Very low | 156 Ų | 156 | 127.5 Ų | 127.5 | 72% | 0.722 | 65% | 0.653 | S | S | * | * | trans | -77.5 | 90.6 | 174.9 | -156.3 | 14.2 | 0 | 0 | 0 | 106.9 | Q319 L323 | Q319-H321 PolarHBondContact O-N 3.47Å; H321-L323 WeakPolarHBondContact CE1-CD1 3.26Å; H321-L323 PolarHBondContact O-N 3.45Å | ||
| 322 | C | 36.4 | Very low | 48.2 | Very low | 80 Ų | 80 | 133 Ų | 133 | 54% | 0.541 | 69% | 0.689 | S | S | . | * | trans | -66.4 | 58.6 | -172.4 | -67.6 | 0 | 0 | 0 | 0 | 113.4 | L320 L333 | L320-C322 VanDerWaalsContact C-N 3.3Å; L320-C322 PolarHBondContact O-N 2.93Å; L320-C322 PolarHBondContact O-SG 2.79Å; C322-L333 HydrophobicContact CB-CD2 3.56Å; C322-L333 WeakPolarHBondContact SG-CD2 3.14Å | ||
| 323 | L | 43.8 | Very low | 47.4 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 50% | 0.503 | 71% | 0.709 | S | S | . | * | trans | -135.1 | 70.4 | -170 | -70.7 | -175.8 | 0 | 0 | 0 | 112.8 | H321 K325 | H321-L323 WeakPolarHBondContact CE1-CD1 3.26Å; H321-L323 PolarHBondContact O-N 3.45Å; L323-K325 HydrophobicContact CD2-CG 4.21Å | ||
| 324 | R | 43.1 | Very low | 47.2 | Very low | 254 Ų | 254 | 141.3 Ų | 141.3 | 96% | 0.958 | 73% | 0.734 | S | S | * | * | trans | -92.8 | 110.1 | 131.2 | -96.9 | -172.1 | 170 | 176 | -1.4 | 107.8 | G326 | R324-G326 PolarHBondContact O-N 3.47Š| ||
| 325 | K | 43.9 | Very low | 47.6 | Very low | 182 Ų | 182 | 141.3 Ų | 141.3 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | trans | -69 | 72.1 | -172.7 | -67.5 | 176.5 | 177.4 | 176 | 0 | 112.4 | L323 | L323-K325 HydrophobicContact CD2-CG 4.21Š| ||
| 326 | G | 43 | Very low | 48.5 | Very low | 56 Ų | 56 | 139.5 Ų | 139.5 | 58% | 0.577 | 73% | 0.725 | S | S | * | * | trans | -72.2 | 133.4 | 167 | 0 | 0 | 0 | 0 | 0 | 110.9 | R324 T328 | R324-G326 PolarHBondContact O-N 3.47Å; G326-T328 VanDerWaalsContact C-N 3.25Å; G326-T328 PolarHBondContact O-N 3.38Å | ||
| 327 | K | 51.9 | Low | 50 | Low | 210 Ų | 210 | 142.9 Ų | 142.9 | 91% | 0.913 | 74% | 0.739 | S | S | * | * | trans | -79.5 | 68.7 | 179.1 | -68.1 | 177.9 | 178.7 | 175 | 0 | 111.2 | ||||
| 328 | T | 49.5 | Very low | 51.8 | Low | 112 Ų | 112 | 140.9 Ų | 140.9 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | trans | -126.2 | 94.7 | -179.2 | 49.7 | 0 | 0 | 0 | 0 | 111.3 | G326 R330 | G326-T328 VanDerWaalsContact C-N 3.25Å; G326-T328 PolarHBondContact O-N 3.38Å; T328-R330 PolarHBondContact O-N 3.25Å | ||
| 329 | N | 52.8 | Low | 53.6 | Low | 173 Ų | 173 | 136.3 Ų | 136.3 | 93% | 0.925 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 44.7 | -178 | -56 | -19.8 | 0 | 0 | 0 | 113.3 | ||
| 330 | R | 53.6 | Low | 55.7 | Low | 212 Ų | 212 | 134.7 Ų | 134.7 | 80% | 0.8 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | -19.6 | -170.6 | -81 | -167.6 | 169.5 | -169.1 | -4.4 | 116.6 | T328 | T328-R330 PolarHBondContact O-N 3.25Š|
| 331 | C | 50.3 | Low | 57.7 | Low | 111 Ų | 111 | 133.3 Ų | 133.3 | 75% | 0.75 | 70% | 0.695 | S | S | * | * | trans | -141.7 | 120.4 | 164.4 | -64.5 | 0 | 0 | 0 | 0 | 109.1 | L333 | C331-L333 PolarHBondContact O-N 2.68Š| ||
| 332 | P | 51.1 | Low | 59.8 | Low | 121 Ų | 121 | 130.5 Ų | 130.5 | 79% | 0.786 | 68% | 0.682 | S | S | * | * | trans | -67.5 | 117.3 | 149.4 | 29.9 | -28.4 | 0 | 0 | 0 | 106.7 | V334 | P332-V334 PolarHBondContact O-N 3.14Š| ||
| 333 | L | 53 | Low | 62 | Low | 115 Ų | 115 | 130.2 Ų | 130.2 | 60% | 0.602 | 68% | 0.678 | S | S | * | * | trans | -70.6 | 112.3 | 167.4 | -178.8 | 69 | 0 | 0 | 0 | 106.6 | C322 C331 V335 | C322-L333 HydrophobicContact CB-CD2 3.56Å; C322-L333 WeakPolarHBondContact SG-CD2 3.14Å; C331-L333 PolarHBondContact O-N 2.68Å; L333-V335 PolarHBondContact O-N 3.27Å | ||
| 334 | V | 63.8 | Low | 64.1 | Low | 107 Ų | 107 | 129.8 Ų | 129.8 | 65% | 0.648 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 120.8 | 166.7 | -178.6 | 0 | 0 | 0 | 0 | 106.4 | P332 | P332-V334 PolarHBondContact O-N 3.14Š|
| 335 | V | 64.3 | Low | 66.1 | Low | 100 Ų | 100 | 121 Ų | 121 | 61% | 0.606 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 119.8 | 160.7 | 178.8 | 0 | 0 | 0 | 0 | 104.1 | L333 D337 | L333-V335 PolarHBondContact O-N 3.27Å; V335-D337 PolarHBondContact O-N 3.26Å |
| 336 | D | 69.6 | Low | 68.2 | Low | 121 Ų | 121 | 116.5 Ų | 116.5 | 65% | 0.647 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 116.4 | 171.8 | -67 | -52.9 | 0 | 0 | 0 | 107.4 | L338 | D336-L338 HydrophobicContact CB-CD1 4.44Å; D336-L338 PolarHBondContact O-N 2.7Å |
| 337 | D | 76.7 | Confident | 70.3 | Confident | 156 Ų | 156 | 116.5 Ų | 116.5 | 83% | 0.834 | 63% | 0.629 | S | S | * | * | trans | -74.2 | 24.6 | -178.3 | -61.3 | -51.4 | 0 | 0 | 0 | 113.1 | V335 | V335-D337 PolarHBondContact O-N 3.26Š| ||
| 338 | L | 78 | Confident | 72.2 | Confident | 81 Ų | 81 | 111.4 Ų | 111.4 | 42% | 0.424 | 61% | 0.608 | S | S | . | * | trans | -81.9 | 135 | -179.4 | -69.5 | 167.4 | 0 | 0 | 0 | 110.7 | D336 E342 V343 | D336-L338 HydrophobicContact CB-CD1 4.44Å; D336-L338 PolarHBondContact O-N 2.7Å; L338-E342 HydrophobicContact CD2-CB 4.06Å; L338-V343 HydrophobicContact CB-CG2 3.85Å; L338-V343 HydrophobicContact CD1-CG2 4.49Å | ||
| 339 | T | 81.3 | Confident | 74 | Confident | 79 Ų | 79 | 109.3 Ų | 109.3 | 49% | 0.485 | 60% | 0.595 | S | S | . | * | trans | -75.3 | 156.6 | 171.3 | 61.3 | 0 | 0 | 0 | 0 | 111.6 | E341 E342 V343 | T339-E341 PolarHBondContact O-N 3.2Å; T339-E341 VanDerWaalsContact O-N 3.16Å; T339-E342 WeakPolarHBondContact CB-OE2 3.41Å; T339-E342 PolarHBondContact N-OE2 3.41Å; T339-E342 WeakPolarHBondContact O-CB 3.42Å; T339-E342 PolarHBondContact O-N 3.05Å; T339-E342 VanDerWaalsContact OG1-CD 3.32Å; T339-E342 WeakPolarHBondContact OG1-CG 3.47Å; T339-E342 PolarHBondContact OG1-OE2 3.18Å; T339-V343 WeakPolarHBondContact O-CG2 3.31Å; T339-V343 PolarHBondContact O-N 3.16Å | ||
| 340 | D | 82.7 | Confident | 75.5 | Confident | 145 Ų | 145 | 105.2 Ų | 105.2 | 78% | 0.775 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -55.5 | -35.9 | -177.6 | -61.3 | -31.6 | 0 | 0 | 0 | 112.6 | V343 L344 | D340-V343 PolarHBondContact O-N 2.88Å; D340-L344 WeakPolarHBondContact O-CB 3.39Å; D340-L344 PolarHBondContact O-N 3.4Å |
| 341 | E | 82.4 | Confident | 77 | Confident | 133 Ų | 133 | 98.8 Ų | 98.8 | 62% | 0.621 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67 | -40.7 | 175.6 | -60 | -64.4 | 170.5 | 0 | 0 | 112.5 | T339 L344 C345 | T339-E341 PolarHBondContact O-N 3.2Å; T339-E341 VanDerWaalsContact O-N 3.16Å; E341-L344 PolarHBondContact O-N 3.13Å; E341-C345 WeakPolarHBondContact O-CB 3.21Å; E341-C345 PolarHBondContact O-N 3.06Å; E341-C345 PolarHBondContact O-SG 3.32Å |
| 342 | E | 84.7 | Confident | 78.7 | Confident | 96 Ų | 96 | 99.7 Ų | 99.7 | 45% | 0.449 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.4 | -37.2 | 175.6 | -69.2 | 167.4 | 120.8 | 0 | 0 | 111.2 | L338 T339 C345 Q346 | L338-E342 HydrophobicContact CD2-CB 4.06Å; T339-E342 WeakPolarHBondContact CB-OE2 3.41Å; T339-E342 PolarHBondContact N-OE2 3.41Å; T339-E342 WeakPolarHBondContact O-CB 3.42Å; T339-E342 PolarHBondContact O-N 3.05Å; T339-E342 VanDerWaalsContact OG1-CD 3.32Å; T339-E342 WeakPolarHBondContact OG1-CG 3.47Å; T339-E342 PolarHBondContact OG1-OE2 3.18Å; E342-C345 PolarHBondContact O-N 3.49Å; E342-Q346 WeakPolarHBondContact O-CB 3.43Å; E342-Q346 PolarHBondContact O-N 2.99Å |
| 343 | V | 83.4 | Confident | 80.2 | Confident | 74 Ų | 74 | 98.7 Ų | 98.7 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 172.7 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | L338 T339 D340 Q346 A347 | L338-V343 HydrophobicContact CB-CG2 3.85Å; L338-V343 HydrophobicContact CD1-CG2 4.49Å; T339-V343 WeakPolarHBondContact O-CG2 3.31Å; T339-V343 PolarHBondContact O-N 3.16Å; D340-V343 PolarHBondContact O-N 2.88Å; V343-Q346 PolarHBondContact O-N 2.91Å; V343-A347 VanDerWaalsContact O-CB 3.32Å; V343-A347 WeakPolarHBondContact O-CB 3.24Å; V343-A347 PolarHBondContact O-N 3.04Å |
| 344 | L | 87.3 | Confident | 81.4 | Confident | 88 Ų | 88 | 95.9 Ų | 95.9 | 46% | 0.461 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.8 | -47.5 | 176.7 | -177.1 | 61.1 | 0 | 0 | 0 | 111.8 | D340 E341 Q346 A347 Q348 | D340-L344 WeakPolarHBondContact O-CB 3.39Å; D340-L344 PolarHBondContact O-N 3.4Å; E341-L344 PolarHBondContact O-N 3.13Å; L344-Q346 PolarHBondContact O-N 3.42Å; L344-A347 PolarHBondContact O-N 3.27Å; L344-Q348 HydrophobicContact CD1-CG 4.47Å; L344-Q348 WeakPolarHBondContact O-CG 3.34Å; L344-Q348 PolarHBondContact O-N 3.16Å |
| 345 | C | 85.7 | Confident | 82.4 | Confident | 68 Ų | 68 | 93.2 Ų | 93.2 | 46% | 0.459 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 176.5 | -66.5 | 0 | 0 | 0 | 0 | 111.9 | E341 E342 A347 Q348 T349 | E341-C345 WeakPolarHBondContact O-CB 3.21Å; E341-C345 PolarHBondContact O-N 3.06Å; E341-C345 PolarHBondContact O-SG 3.32Å; E342-C345 PolarHBondContact O-N 3.49Å; C345-A347 VanDerWaalsContact C-N 3.34Å; C345-A347 PolarHBondContact O-N 2.99Å; C345-Q348 PolarHBondContact O-N 3.37Å; C345-T349 WeakPolarHBondContact O-CB 3.49Å; C345-T349 PolarHBondContact O-N 2.92Å; C345-T349 PolarHBondContact O-OG1 3.45Å |
| 346 | Q | 86.3 | Confident | 83 | Confident | 88 Ų | 88 | 93.8 Ų | 93.8 | 41% | 0.411 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 176.3 | -175 | 76 | 106.3 | 0 | 0 | 110.9 | E342 V343 L344 V350 | E342-Q346 WeakPolarHBondContact O-CB 3.43Å; E342-Q346 PolarHBondContact O-N 2.99Å; V343-Q346 PolarHBondContact O-N 2.91Å; L344-Q346 PolarHBondContact O-N 3.42Å; Q346-V350 WeakPolarHBondContact O-CB 3.49Å; Q346-V350 VanDerWaalsContact O-CG2 3.25Å; Q346-V350 WeakPolarHBondContact O-CG2 3.16Å; Q346-V350 PolarHBondContact O-N 3.31Å; Q346-V350 VanDerWaalsContact O-N 3.14Å |
| 347 | A | 87.9 | Confident | 83.1 | Confident | 57 Ų | 57 | 94.1 Ų | 94.1 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69 | -43.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V343 L344 C345 V350 S351 | V343-A347 VanDerWaalsContact O-CB 3.32Å; V343-A347 WeakPolarHBondContact O-CB 3.24Å; V343-A347 PolarHBondContact O-N 3.04Å; L344-A347 PolarHBondContact O-N 3.27Å; C345-A347 VanDerWaalsContact C-N 3.34Å; C345-A347 PolarHBondContact O-N 2.99Å; A347-V350 PolarHBondContact O-N 2.99Å; A347-S351 WeakPolarHBondContact O-CB 3.29Å; A347-S351 PolarHBondContact O-N 2.7Å |
| 348 | Q | 91.6 | Very high | 82.6 | Confident | 103 Ų | 103 | 90.8 Ų | 90.8 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -50.8 | 175.4 | -73.5 | 172.1 | -6.7 | 0 | 0 | 111.2 | L344 C345 V350 S351 E352 | L344-Q348 HydrophobicContact CD1-CG 4.47Å; L344-Q348 WeakPolarHBondContact O-CG 3.34Å; L344-Q348 PolarHBondContact O-N 3.16Å; C345-Q348 PolarHBondContact O-N 3.37Å; Q348-V350 VanDerWaalsContact C-N 3.28Å; Q348-V350 PolarHBondContact O-N 3.28Å; Q348-S351 WeakPolarHBondContact O-CA 3.46Å; Q348-S351 WeakPolarHBondContact O-CB 3.5Å; Q348-S351 PolarHBondContact O-N 3.35Å; Q348-E352 PolarHBondContact O-N 2.71Å |
| 349 | T | 87.7 | Confident | 82.2 | Confident | 68 Ų | 68 | 91.7 Ų | 91.7 | 42% | 0.417 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57 | -40.2 | 177.5 | -50 | 0 | 0 | 0 | 0 | 112.1 | C345 L353 | C345-T349 WeakPolarHBondContact O-CB 3.49Å; C345-T349 PolarHBondContact O-N 2.92Å; C345-T349 PolarHBondContact O-OG1 3.45Å; T349-L353 HydrophobicContact CG2-CD1 4.33Å; T349-L353 VanDerWaalsContact O-CG 3.31Å; T349-L353 WeakPolarHBondContact O-CG 3.28Å; T349-L353 PolarHBondContact O-N 3.47Å; T349-L353 VanDerWaalsContact O-N 3.1Å |
| 350 | V | 85 | Confident | 81.3 | Confident | 86 Ų | 86 | 90.6 Ų | 90.6 | 52% | 0.521 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.2 | -34.4 | 176.7 | 168.8 | 0 | 0 | 0 | 0 | 111.8 | Q346 A347 Q348 A354 | Q346-V350 WeakPolarHBondContact O-CB 3.49Å; Q346-V350 VanDerWaalsContact O-CG2 3.25Å; Q346-V350 WeakPolarHBondContact O-CG2 3.16Å; Q346-V350 PolarHBondContact O-N 3.31Å; Q346-V350 VanDerWaalsContact O-N 3.14Å; A347-V350 PolarHBondContact O-N 2.99Å; Q348-V350 VanDerWaalsContact C-N 3.28Å; Q348-V350 PolarHBondContact O-N 3.28Å; V350-A354 VanDerWaalsContact O-CB 3.3Å; V350-A354 WeakPolarHBondContact O-CB 3.14Å; V350-A354 PolarHBondContact O-N 3Å |
| 351 | S | 85.1 | Confident | 79.9 | Confident | 78 Ų | 78 | 95.3 Ų | 95.3 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.4 | -40 | 175.3 | -169.8 | 0 | 0 | 0 | 0 | 112.3 | A347 Q348 A354 A355 | A347-S351 WeakPolarHBondContact O-CB 3.29Å; A347-S351 PolarHBondContact O-N 2.7Å; Q348-S351 WeakPolarHBondContact O-CA 3.46Å; Q348-S351 WeakPolarHBondContact O-CB 3.5Å; Q348-S351 PolarHBondContact O-N 3.35Å; S351-A354 PolarHBondContact O-N 2.73Å; S351-A355 WeakPolarHBondContact O-CB 3.44Å; S351-A355 PolarHBondContact O-N 3.48Å |
| 352 | E | 85.5 | Confident | 78.4 | Confident | 130 Ų | 130 | 92.3 Ų | 92.3 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64 | -49.5 | 175.1 | -70.5 | 176.8 | 166.1 | 0 | 0 | 110.9 | Q348 A354 A355 D356 | Q348-E352 PolarHBondContact O-N 2.71Å; E352-A354 PolarHBondContact O-N 2.89Å; E352-A355 WeakPolarHBondContact O-CB 3.34Å; E352-A355 PolarHBondContact O-N 3.47Å; E352-D356 PolarHBondContact O-N 3.41Å |
| 353 | L | 82.3 | Confident | 76.6 | Confident | 100 Ų | 100 | 96 Ų | 96 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.6 | -31.9 | 175.2 | -69.9 | 172.3 | 0 | 0 | 0 | 112.9 | T349 L357 | T349-L353 HydrophobicContact CG2-CD1 4.33Å; T349-L353 VanDerWaalsContact O-CG 3.31Å; T349-L353 WeakPolarHBondContact O-CG 3.28Å; T349-L353 PolarHBondContact O-N 3.47Å; T349-L353 VanDerWaalsContact O-N 3.1Å; L353-L357 WeakPolarHBondContact O-CB 3.47Å; L353-L357 WeakPolarHBondContact O-CD1 3.39Å; L353-L357 VanDerWaalsContact O-CG 3.24Å; L353-L357 WeakPolarHBondContact O-CG 3.38Å; L353-L357 PolarHBondContact O-N 3.13Å |
| 354 | A | 78.5 | Confident | 74.9 | Confident | 55 Ų | 55 | 100.2 Ų | 100.2 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72 | -37.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V350 S351 E352 L357 A358 | V350-A354 VanDerWaalsContact O-CB 3.3Å; V350-A354 WeakPolarHBondContact O-CB 3.14Å; V350-A354 PolarHBondContact O-N 3Å; S351-A354 PolarHBondContact O-N 2.73Å; E352-A354 PolarHBondContact O-N 2.89Å; A354-L357 PolarHBondContact O-N 3.11Å; A354-A358 WeakPolarHBondContact O-CB 3.4Å; A354-A358 PolarHBondContact O-N 2.97Å |
| 355 | A | 83.4 | Confident | 72.8 | Confident | 52 Ų | 52 | 101.5 Ų | 101.5 | 43% | 0.43 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.4 | -40.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | S351 E352 A358 S359 | S351-A355 WeakPolarHBondContact O-CB 3.44Å; S351-A355 PolarHBondContact O-N 3.48Å; E352-A355 WeakPolarHBondContact O-CB 3.34Å; E352-A355 PolarHBondContact O-N 3.47Å; A355-A358 PolarHBondContact O-N 2.95Å; A355-S359 VanDerWaalsContact O-CB 3.29Å; A355-S359 WeakPolarHBondContact O-CB 3.4Å; A355-S359 PolarHBondContact O-N 3.24Å; A355-S359 PolarHBondContact O-OG 3.24Å |
| 356 | D | 78.4 | Confident | 70.8 | Confident | 111 Ų | 111 | 103.1 Ų | 103.1 | 59% | 0.594 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.9 | -46.1 | 172.1 | -85.1 | -11.1 | 0 | 0 | 0 | 111.4 | E352 A358 S359 S360 | E352-D356 PolarHBondContact O-N 3.41Å; D356-A358 VanDerWaalsContact C-N 3.33Å; D356-A358 PolarHBondContact O-N 3.2Å; D356-S359 PolarHBondContact O-N 3.04Å; D356-S360 WeakPolarHBondContact O-CB 3.28Å; D356-S360 PolarHBondContact O-N 2.88Å |
| 357 | L | 71.8 | Confident | 68.9 | Low | 128 Ų | 128 | 103.4 Ų | 103.4 | 67% | 0.67 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.6 | -35.8 | 177.1 | -76.8 | 169.7 | 0 | 0 | 0 | 112.6 | L353 A354 S360 | L353-L357 WeakPolarHBondContact O-CB 3.47Å; L353-L357 WeakPolarHBondContact O-CD1 3.39Å; L353-L357 VanDerWaalsContact O-CG 3.24Å; L353-L357 WeakPolarHBondContact O-CG 3.38Å; L353-L357 PolarHBondContact O-N 3.13Å; A354-L357 PolarHBondContact O-N 3.11Å; L357-S360 VanDerWaalsContact O-O 3.1Å; L357-S360 PolarHBondContact O-OG 2.98Å |
| 358 | A | 66 | Low | 66.9 | Low | 87 Ų | 87 | 110 Ų | 110 | 72% | 0.719 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.1 | -31.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A354 A355 D356 | A354-A358 WeakPolarHBondContact O-CB 3.4Å; A354-A358 PolarHBondContact O-N 2.97Å; A355-A358 PolarHBondContact O-N 2.95Å; D356-A358 VanDerWaalsContact C-N 3.33Å; D356-A358 PolarHBondContact O-N 3.2Å |
| 359 | S | 69.5 | Low | 64.9 | Low | 100 Ų | 100 | 113 Ų | 113 | 70% | 0.699 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -76.2 | -30.7 | 174.6 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | A355 D356 R361 | A355-S359 VanDerWaalsContact O-CB 3.29Å; A355-S359 WeakPolarHBondContact O-CB 3.4Å; A355-S359 PolarHBondContact O-N 3.24Å; A355-S359 PolarHBondContact O-OG 3.24Å; D356-S359 PolarHBondContact O-N 3.04Å; S359-R361 PolarHBondContact O-N 3.16Å |
| 360 | S | 62.3 | Low | 63.1 | Low | 55 Ų | 55 | 114.6 Ų | 114.6 | 39% | 0.385 | 65% | 0.65 | S | S | . | * | S | Bend | trans | -64.6 | 115 | 168.4 | 87.7 | 0 | 0 | 0 | 0 | 108.8 | D356 L357 A362 | D356-S360 WeakPolarHBondContact O-CB 3.28Å; D356-S360 PolarHBondContact O-N 2.88Å; L357-S360 VanDerWaalsContact O-O 3.1Å; L357-S360 PolarHBondContact O-OG 2.98Å; S360-A362 PolarHBondContact O-N 2.99Å |
| 361 | R | 52.2 | Low | 61.5 | Low | 245 Ų | 245 | 116.5 Ų | 116.5 | 93% | 0.925 | 66% | 0.664 | S | S | * | * | trans | -76.5 | 45.6 | -178 | -163.7 | 176.8 | 171 | 171.6 | -2.5 | 112.3 | S359 E363 | S359-R361 PolarHBondContact O-N 3.16Å; R361-E363 PolarHBondContact O-N 2.92Å | ||
| 362 | A | 50.9 | Low | 59.8 | Low | 70 Ų | 70 | 118.7 Ų | 118.7 | 58% | 0.579 | 67% | 0.67 | S | S | * | * | trans | -70.2 | 119.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | S360 L364 | S360-A362 PolarHBondContact O-N 2.99Å; A362-L364 PolarHBondContact O-N 3.14Å | ||
| 363 | E | 47.6 | Very low | 58 | Low | 173 Ų | 173 | 124.6 Ų | 124.6 | 81% | 0.808 | 69% | 0.687 | S | S | * | * | trans | -61.5 | 105.8 | 179.6 | -64.5 | -173.1 | 152.8 | 0 | 0 | 109.9 | R361 T365 | R361-E363 PolarHBondContact O-N 2.92Å; E363-T365 PolarHBondContact O-N 3.08Å; E363-T365 PolarHBondContact O-OG1 3.13Å | ||
| 364 | L | 47.7 | Very low | 56.3 | Low | 163 Ų | 163 | 130.5 Ų | 130.5 | 85% | 0.853 | 70% | 0.702 | S | S | * | * | trans | -64.3 | 78.6 | 169.8 | -74.4 | 175.6 | 0 | 0 | 0 | 108.8 | A362 C366 | A362-L364 PolarHBondContact O-N 3.14Å; L364-C366 VanDerWaalsContact C-N 3.27Å; L364-C366 PolarHBondContact O-N 3.4Å | ||
| 365 | T | 42.7 | Very low | 54.8 | Low | 114 Ų | 114 | 134.6 Ų | 134.6 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | trans | -68.1 | 88.6 | -178.5 | -60.2 | 0 | 0 | 0 | 0 | 107.4 | E363 P367 | E363-T365 PolarHBondContact O-N 3.08Å; E363-T365 PolarHBondContact O-OG1 3.13Å; T365-P367 WeakPolarHBondContact O-CD 3.49Å | ||
| 366 | C | 45.4 | Very low | 53 | Low | 103 Ų | 103 | 136.6 Ų | 136.6 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | trans | -48 | 118.6 | 176.7 | -60.8 | 0 | 0 | 0 | 0 | 108 | L364 K368 | L364-C366 VanDerWaalsContact C-N 3.27Å; L364-C366 PolarHBondContact O-N 3.4Å; C366-K368 VanDerWaalsContact C-N 3.3Å; C366-K368 PolarHBondContact O-N 3.29Å | ||
| 367 | P | 46.4 | Very low | 51.7 | Low | 94 Ų | 94 | 137.9 Ų | 137.9 | 61% | 0.61 | 73% | 0.734 | S | S | * | * | trans | -68.4 | 93.4 | -174.3 | 26.1 | -33.4 | 0 | 0 | 0 | 108.5 | T365 L369 M379 | T365-P367 WeakPolarHBondContact O-CD 3.49Å; P367-L369 PolarHBondContact O-N 2.9Å; P367-M379 HydrophobicContact CG-SD 3.97Å | ||
| 368 | K | 45.8 | Very low | 50.6 | Low | 194 Ų | 194 | 140.3 Ų | 140.3 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | -46.6 | 127.2 | -178.8 | -69.5 | 178.8 | 177.9 | 175.9 | 0 | 108.4 | C366 V370 | C366-K368 VanDerWaalsContact C-N 3.3Å; C366-K368 PolarHBondContact O-N 3.29Å; K368-V370 PolarHBondContact O-N 3.35Å | ||
| 369 | L | 48 | Very low | 49.8 | Very low | 168 Ų | 168 | 143 Ų | 143 | 88% | 0.88 | 74% | 0.739 | S | S | * | * | trans | -52.1 | 115 | 177.6 | -94.7 | 69.4 | 0 | 0 | 0 | 108.5 | P367 | P367-L369 PolarHBondContact O-N 2.9Š| ||
| 370 | V | 51.5 | Low | 48.7 | Very low | 101 Ų | 101 | 144.6 Ų | 144.6 | 61% | 0.612 | 74% | 0.739 | S | S | * | * | trans | -60.7 | 128.3 | 173.2 | -176.1 | 0 | 0 | 0 | 0 | 106.5 | K368 N372 | K368-V370 PolarHBondContact O-N 3.35Å; V370-N372 HydrophobicContact CG1-CB 4.17Å; V370-N372 CarbonylContact O-C 3.45Å; V370-N372 PolarHBondContact O-N 3.4Å; V370-N372 VanDerWaalsContact O-O 3.08Å | ||
| 371 | P | 50.5 | Low | 48.2 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -62.2 | -17.8 | -173.7 | 21.6 | -32.8 | 0 | 0 | 0 | 113.4 | R373 | P371-R373 PolarHBondContact O-N 3.12Š|
| 372 | N | 49.2 | Very low | 47.9 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 67% | 0.668 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -71.1 | 110.8 | 164.1 | -67 | -36.3 | 0 | 0 | 0 | 110.2 | V370 R374 | V370-N372 HydrophobicContact CG1-CB 4.17Å; V370-N372 CarbonylContact O-C 3.45Å; V370-N372 PolarHBondContact O-N 3.4Å; V370-N372 VanDerWaalsContact O-O 3.08Å; N372-R374 PolarHBondContact O-N 3.29Å |
| 373 | R | 48 | Very low | 47.9 | Very low | 254 Ų | 254 | 143.8 Ų | 143.8 | 96% | 0.958 | 75% | 0.749 | S | S | * | * | trans | -60.3 | 59.5 | -174 | -58.1 | -179.2 | 179.8 | -173.2 | -1.3 | 115.8 | P371 | P371-R373 PolarHBondContact O-N 3.12Š| ||
| 374 | R | 46.1 | Very low | 48.1 | Very low | 223 Ų | 223 | 142.7 Ų | 142.7 | 84% | 0.842 | 74% | 0.742 | S | S | * | * | trans | -122 | 96.8 | 175.3 | -95.5 | -178.1 | 162.2 | 162.3 | -4.5 | 110.3 | N372 T376 | N372-R374 PolarHBondContact O-N 3.29Å; R374-T376 PolarHBondContact O-N 2.85Å | ||
| 375 | T | 48 | Very low | 48.3 | Very low | 142 Ų | 142 | 141 Ų | 141 | 87% | 0.871 | 73% | 0.732 | S | S | * | * | trans | -69.8 | 75.2 | 168.6 | 39.3 | 0 | 0 | 0 | 0 | 110.7 | L377 | T375-L377 PolarHBondContact O-N 2.83Š| ||
| 376 | T | 45.9 | Very low | 48.8 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 57% | 0.571 | 73% | 0.726 | S | S | * | * | trans | -63.3 | 135.5 | 172.5 | 60.1 | 0 | 0 | 0 | 0 | 109.9 | R374 K378 | R374-T376 PolarHBondContact O-N 2.85Å; T376-K378 PolarHBondContact O-N 3.33Å | ||
| 377 | L | 49.7 | Very low | 48.8 | Very low | 138 Ų | 138 | 147.1 Ų | 147.1 | 72% | 0.723 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -61.8 | 6.8 | -171.9 | -107.3 | 113 | 0 | 0 | 0 | 117.1 | T375 M379 L380 | T375-L377 PolarHBondContact O-N 2.83Å; L377-M379 PolarHBondContact O-N 3.03Å; L377-L380 HydrophobicContact CD2-CD1 3.84Å; L377-L380 HydrophobicContact CG-CD1 4.42Å; L377-L380 PolarHBondContact O-N 3.29Å; L377-L380 VanDerWaalsContact O-N 3.15Å |
| 378 | K | 50.2 | Low | 48.9 | Very low | 179 Ų | 179 | 152.8 Ų | 152.8 | 78% | 0.778 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -53.8 | -18.9 | 174.3 | -85.4 | -174.7 | 168.4 | -176 | 0 | 114.9 | T376 L380 | T376-K378 PolarHBondContact O-N 3.33Å; K378-L380 VanDerWaalsContact C-N 3.29Å; K378-L380 PolarHBondContact O-N 3.39Å |
| 379 | M | 47.2 | Very low | 48.9 | Very low | 144 Ų | 144 | 149.9 Ų | 149.9 | 71% | 0.709 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -73.1 | -15.3 | 178.5 | -65 | -58.4 | -62.7 | 0 | 0 | 114.3 | P367 L377 | P367-M379 HydrophobicContact CG-SD 3.97Å; L377-M379 PolarHBondContact O-N 3.03Å |
| 380 | L | 48.4 | Very low | 48.8 | Very low | 133 Ų | 133 | 147.7 Ų | 147.7 | 70% | 0.696 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -105.5 | 2.1 | -171.9 | -77.3 | 164.4 | 0 | 0 | 0 | 114.6 | L377 K378 | L377-L380 HydrophobicContact CD2-CD1 3.84Å; L377-L380 HydrophobicContact CG-CD1 4.42Å; L377-L380 PolarHBondContact O-N 3.29Å; L377-L380 VanDerWaalsContact O-N 3.15Å; K378-L380 VanDerWaalsContact C-N 3.29Å; K378-L380 PolarHBondContact O-N 3.39Å |
| 381 | T | 51.9 | Low | 48.2 | Very low | 93 Ų | 93 | 150.2 Ų | 150.2 | 57% | 0.571 | 73% | 0.731 | S | S | * | * | trans | -136.3 | 66.4 | -179.7 | 39 | 0 | 0 | 0 | 0 | 113.5 | N383 | T381-N383 PolarHBondContact O-N 3.01Š| ||
| 382 | P | 45.1 | Very low | 47.7 | Very low | 116 Ų | 116 | 152.6 Ų | 152.6 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | trans | -75 | 61.5 | 164.1 | 35.8 | -35.7 | 0 | 0 | 0 | 110.7 | ||||
| 383 | N | 51.5 | Low | 46.8 | Very low | 145 Ų | 145 | 150.1 Ų | 150.1 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -167.6 | 138.8 | 157.9 | -102.4 | -32.5 | 0 | 0 | 0 | 111.9 | T381 I385 | T381-N383 PolarHBondContact O-N 3.01Å; N383-I385 PolarHBondContact O-N 3.18Å |
| 384 | K | 51.5 | Low | 46.2 | Very low | 150 Ų | 150 | 143.9 Ų | 143.9 | 65% | 0.652 | 73% | 0.734 | S | S | * | * | trans | -85.8 | 105.8 | 175.3 | -63.7 | 169 | -171.2 | 163.3 | 0 | 108.1 | Y386 | K384-Y386 HydrophobicContact CB-CD2 4.24Å; K384-Y386 HydrophobicContact CB-CE2 3.65Å; K384-Y386 HydrophobicContact CD-CE2 4.32Å; K384-Y386 WeakPolarHBondContact CD-OH 3.44Å; K384-Y386 WeakPolarHBondContact O-CD2 2.77Å; K384-Y386 PolarHBondContact O-N 2.92Å | ||
| 385 | I | 52.3 | Low | 45.4 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 65% | 0.646 | 74% | 0.735 | S | S | * | * | trans | -73.4 | 102 | 175.8 | -54.3 | 177.6 | 0 | 0 | 0 | 108.5 | N383 | N383-I385 PolarHBondContact O-N 3.18Š| ||
| 386 | Y | 52.5 | Low | 44.6 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 58% | 0.576 | 72% | 0.724 | S | S | * | * | trans | -82.1 | 142.7 | 169.1 | -64.8 | -84.7 | 0 | 0 | 0 | 109.5 | K384 | K384-Y386 HydrophobicContact CB-CD2 4.24Å; K384-Y386 HydrophobicContact CB-CE2 3.65Å; K384-Y386 HydrophobicContact CD-CE2 4.32Å; K384-Y386 WeakPolarHBondContact CD-OH 3.44Å; K384-Y386 WeakPolarHBondContact O-CD2 2.77Å; K384-Y386 PolarHBondContact O-N 2.92Å | ||
| 387 | R | 46.1 | Very low | 44.2 | Very low | 200 Ų | 200 | 135.1 Ų | 135.1 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | trans | -66.2 | 149.6 | 169.1 | -70.6 | -172.4 | -179.2 | 178.1 | -1.2 | 110.3 | ||||
| 388 | R | 47 | Very low | 43.4 | Very low | 212 Ų | 212 | 133.7 Ų | 133.7 | 80% | 0.8 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -92.8 | -4.4 | -170.7 | -139.3 | 172.1 | -168.4 | 158.3 | 2.4 | 113.6 | ||
| 389 | D | 47.2 | Very low | 43.1 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | trans | -108.7 | -3 | -155.1 | -41.6 | -67.1 | 0 | 0 | 0 | 115.4 | N391 | D389-N391 PolarHBondContact O-N 2.99Š| ||
| 390 | D | 45.6 | Very low | 43.1 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 65% | 0.652 | 74% | 0.742 | S | S | * | * | trans | -100.4 | 68.5 | -179.3 | -67.1 | -46.2 | 0 | 0 | 0 | 111.6 | ||||
| 391 | N | 38 | Very low | 43 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | -150.8 | 40.4 | 178.7 | -120.7 | 6 | 0 | 0 | 0 | 115.3 | D389 | D389-N391 PolarHBondContact O-N 2.99Š| ||
| 392 | I | 40.2 | Very low | 43.1 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 90% | 0.897 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -121.2 | 101.6 | 166.9 | -59.3 | 179 | 0 | 0 | 0 | 110.2 | ||
| 393 | G | 31.3 | Very low | 43.6 | Very low | 74 Ų | 74 | 141.2 Ų | 141.2 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | trans | 81.8 | 157.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 394 | S | 34.1 | Very low | 44 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | trans | 59.7 | 99.3 | 162.4 | -141.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 395 | S | 30.7 | Very low | 44.8 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 87% | 0.867 | 73% | 0.727 | S | S | * | * | 11.6 | 117.9 | 128.5 | -170.2 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 396 | G | 30.3 | Very low | 45.2 | Very low | 61 Ų | 61 | 134.6 Ų | 134.6 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | trans | 140.1 | 121.5 | 153.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 397 | S | 36.6 | Very low | 45.7 | Very low | 89 Ų | 89 | 130.9 Ų | 130.9 | 62% | 0.622 | 72% | 0.719 | S | S | * | * | trans | 63.7 | 113.4 | 170.5 | 74.8 | 0 | 0 | 0 | 0 | 117 | K399 | S397-K399 VanDerWaalsContact C-N 3.33Å; S397-K399 PolarHBondContact O-N 2.95Å | ||
| 398 | A | 34.5 | Very low | 46.8 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 90% | 0.901 | 71% | 0.71 | S | S | * | * | trans | -73.4 | 78.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L400 | A398-L400 PolarHBondContact O-N 3.18Š| ||
| 399 | K | 43.8 | Very low | 47.9 | Very low | 172 Ų | 172 | 121.5 Ų | 121.5 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | trans | -74.4 | 109.3 | 172.5 | -71.6 | 173.2 | -176.3 | 167.1 | 0 | 109.8 | S397 K401 | S397-K399 VanDerWaalsContact C-N 3.33Å; S397-K399 PolarHBondContact O-N 2.95Å; K399-K401 PolarHBondContact O-N 2.98Å; K399-K401 VanDerWaalsContact O-N 3.09Å | ||
| 400 | L | 46.2 | Very low | 48.8 | Very low | 168 Ų | 168 | 119.6 Ų | 119.6 | 88% | 0.88 | 69% | 0.692 | S | S | * | * | trans | -51.4 | 111.6 | -177.8 | -69.7 | 164 | 0 | 0 | 0 | 112.1 | A398 R402 | A398-L400 PolarHBondContact O-N 3.18Å; L400-R402 PolarHBondContact O-N 3.48Å | ||
| 401 | K | 46.9 | Very low | 49.9 | Very low | 152 Ų | 152 | 115.7 Ų | 115.7 | 66% | 0.661 | 68% | 0.68 | S | S | * | * | trans | -62.7 | 103.2 | 178 | -65 | -172 | 177.1 | -170.2 | 0 | 109.8 | K399 | K399-K401 PolarHBondContact O-N 2.98Å; K399-K401 VanDerWaalsContact O-N 3.09Å | ||
| 402 | R | 54.2 | Low | 51.2 | Low | 228 Ų | 228 | 117.2 Ų | 117.2 | 86% | 0.86 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 136.4 | 177.3 | -67.6 | -175 | -179.1 | -178.7 | 0.7 | 110.1 | L400 | L400-R402 PolarHBondContact O-N 3.48Š|
| 403 | P | 54.6 | Low | 52.2 | Low | 102 Ų | 102 | 116 Ų | 116 | 66% | 0.662 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 135.3 | 171.8 | 29.6 | -33.6 | 0 | 0 | 0 | 109.9 | ||
| 404 | V | 60.5 | Low | 53.9 | Low | 63 Ų | 63 | 122.8 Ų | 122.8 | 38% | 0.382 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -94 | 131.6 | 171.9 | -178 | 0 | 0 | 0 | 0 | 108 | D408 I409 | V404-D408 HydrophobicContact CG1-CB 3.93Å; V404-I409 HydrophobicContact CG1-CD1 4.13Å; V404-I409 HydrophobicContact CG1-CG1 3.82Å |
| 405 | L | 68.1 | Low | 55.2 | Low | 109 Ų | 109 | 124.6 Ų | 124.6 | 57% | 0.571 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 154.2 | 175.9 | -61.9 | 172.5 | 0 | 0 | 0 | 110.4 | S407 D408 | L405-S407 WeakPolarHBondContact CB-OG 2.94Å; L405-S407 PolarHBondContact O-N 3.41Å; L405-S407 VanDerWaalsContact O-N 3.16Å; L405-D408 WeakPolarHBondContact CB-OD2 3.3Å; L405-D408 PolarHBondContact N-OD2 3.02Å; L405-D408 VanDerWaalsContact O-CB 3.31Å; L405-D408 WeakPolarHBondContact O-CB 3.42Å; L405-D408 PolarHBondContact O-N 2.66Å |
| 406 | L | 61.6 | Low | 56.5 | Low | 110 Ų | 110 | 121.7 Ų | 121.7 | 58% | 0.576 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -60.2 | -27.2 | 175.8 | -170 | 65.3 | 0 | 0 | 0 | 112.2 | D408 I409 V410 | L406-D408 PolarHBondContact O-N 2.84Å; L406-I409 PolarHBondContact O-N 2.92Å; L406-V410 HydrophobicContact CD1-CG2 3.77Å; L406-V410 HydrophobicContact CG-CG2 3.94Å; L406-V410 WeakPolarHBondContact O-CB 3.46Å; L406-V410 WeakPolarHBondContact O-CG2 3.32Å; L406-V410 PolarHBondContact O-N 2.85Å |
| 407 | S | 63 | Low | 57.7 | Low | 70 Ų | 70 | 125.4 Ų | 125.4 | 49% | 0.49 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -57.9 | -30.3 | 170.2 | 47.3 | 0 | 0 | 0 | 0 | 113.8 | L405 G411 | L405-S407 WeakPolarHBondContact CB-OG 2.94Å; L405-S407 PolarHBondContact O-N 3.41Å; L405-S407 VanDerWaalsContact O-N 3.16Å; S407-G411 VanDerWaalsContact O-CA 3.22Å; S407-G411 WeakPolarHBondContact O-CA 3.44Å; S407-G411 PolarHBondContact O-N 3.23Å |
| 408 | D | 68 | Low | 58.3 | Low | 103 Ų | 103 | 126.9 Ų | 126.9 | 55% | 0.551 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -88.1 | -18.7 | -172.7 | -41.5 | -18.1 | 0 | 0 | 0 | 110.5 | V404 L405 L406 | V404-D408 HydrophobicContact CG1-CB 3.93Å; L405-D408 WeakPolarHBondContact CB-OD2 3.3Å; L405-D408 PolarHBondContact N-OD2 3.02Å; L405-D408 VanDerWaalsContact O-CB 3.31Å; L405-D408 WeakPolarHBondContact O-CB 3.42Å; L405-D408 PolarHBondContact O-N 2.66Å; L406-D408 PolarHBondContact O-N 2.84Å |
| 409 | I | 70.4 | Confident | 59.1 | Low | 111 Ų | 111 | 124.6 Ų | 124.6 | 57% | 0.569 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -93.9 | -46.9 | 177.4 | -56.2 | 174 | 0 | 0 | 0 | 110.5 | V404 L406 | V404-I409 HydrophobicContact CG1-CD1 4.13Å; V404-I409 HydrophobicContact CG1-CG1 3.82Å; L406-I409 PolarHBondContact O-N 2.92Å |
| 410 | V | 66.9 | Low | 59.4 | Low | 94 Ų | 94 | 123.5 Ų | 123.5 | 57% | 0.57 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -90.3 | -22.1 | -174.1 | -178.3 | 0 | 0 | 0 | 0 | 112.3 | L406 | L406-V410 HydrophobicContact CD1-CG2 3.77Å; L406-V410 HydrophobicContact CG-CG2 3.94Å; L406-V410 WeakPolarHBondContact O-CB 3.46Å; L406-V410 WeakPolarHBondContact O-CG2 3.32Å; L406-V410 PolarHBondContact O-N 2.85Å |
| 411 | G | 67.4 | Low | 59.4 | Low | 40 Ų | 40 | 123.9 Ų | 123.9 | 41% | 0.412 | 67% | 0.674 | S | S | . | * | trans | 71.7 | -179.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S407 | S407-G411 VanDerWaalsContact O-CA 3.22Å; S407-G411 WeakPolarHBondContact O-CA 3.44Å; S407-G411 PolarHBondContact O-N 3.23Å | ||
| 412 | Q | 66.5 | Low | 59.3 | Low | 186 Ų | 186 | 120.5 Ų | 120.5 | 87% | 0.869 | 67% | 0.674 | S | S | * | * | trans | -81.9 | 123.2 | 173.8 | -64.7 | -176.9 | 12.5 | 0 | 0 | 110.3 | K414 | Q412-K414 PolarHBondContact O-N 2.91Å; Q412-K414 VanDerWaalsContact O-N 3.08Å | ||
| 413 | L | 61.4 | Low | 58.7 | Low | 150 Ų | 150 | 115.4 Ų | 115.4 | 79% | 0.785 | 67% | 0.673 | S | S | * | * | trans | -62.1 | 108.4 | 173.4 | -74.6 | 167.3 | 0 | 0 | 0 | 110.2 | E415 | L413-E415 VanDerWaalsContact C-N 3.25Å; L413-E415 PolarHBondContact O-N 3.43Å | ||
| 414 | K | 65.7 | Low | 58 | Low | 216 Ų | 216 | 114.1 Ų | 114.1 | 94% | 0.939 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -74.5 | -13.5 | -179.6 | -64 | -175 | 179.2 | 179.8 | 0 | 113.9 | Q412 | Q412-K414 PolarHBondContact O-N 2.91Å; Q412-K414 VanDerWaalsContact O-N 3.08Å |
| 415 | E | 62.9 | Low | 57.4 | Low | 159 Ų | 159 | 116 Ų | 116 | 74% | 0.743 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -148.3 | 130.4 | -179.5 | -170.6 | 174.6 | -131.5 | 0 | 0 | 108.4 | L413 | L413-E415 VanDerWaalsContact C-N 3.25Å; L413-E415 PolarHBondContact O-N 3.43Å |
| 416 | G | 56.4 | Low | 56.4 | Low | 64 Ų | 64 | 117.7 Ų | 117.7 | 66% | 0.66 | 69% | 0.693 | S | S | * | * | trans | -115.6 | 136 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 417 | N | 55.4 | Low | 55.6 | Low | 139 Ų | 139 | 118 Ų | 118 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | trans | -72.3 | 124.9 | 167.1 | -178.6 | 8.3 | 0 | 0 | 0 | 109 | G419 | N417-G419 PolarHBondContact O-N 2.84Š| ||
| 418 | P | 50.1 | Low | 54.8 | Low | 119 Ų | 119 | 123.7 Ų | 123.7 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -0.3 | -174.9 | 25.2 | -35.8 | 0 | 0 | 0 | 116 | L420 | P418-L420 PolarHBondContact O-N 3.41Š|
| 419 | G | 51.8 | Low | 53.9 | Low | 61 Ų | 61 | 127.5 Ų | 127.5 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -4.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | N417 | N417-G419 PolarHBondContact O-N 2.84Š|
| 420 | L | 50.3 | Low | 53 | Low | 150 Ų | 150 | 130.4 Ų | 130.4 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -125 | 106.6 | 172.1 | -90.8 | 91.1 | 0 | 0 | 0 | 112.1 | P418 A422 | P418-L420 PolarHBondContact O-N 3.41Å; L420-A422 VanDerWaalsContact C-N 3.28Å; L420-A422 PolarHBondContact O-N 3.24Å |
| 421 | L | 46.1 | Very low | 52.6 | Low | 176 Ų | 176 | 131.7 Ų | 131.7 | 92% | 0.921 | 74% | 0.738 | S | S | * | * | trans | 37.9 | 45.3 | 153.8 | -61.5 | 177.9 | 0 | 0 | 0 | 117 | S423 | L421-S423 PolarHBondContact O-N 3.16Š| ||
| 422 | A | 43.7 | Very low | 51.9 | Low | 81 Ų | 81 | 133.7 Ų | 133.7 | 67% | 0.669 | 74% | 0.743 | S | S | * | * | trans | -66.2 | 106.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | L420 C424 | L420-A422 VanDerWaalsContact C-N 3.28Å; L420-A422 PolarHBondContact O-N 3.24Å; A422-C424 PolarHBondContact O-N 3.39Å | ||
| 423 | S | 41.1 | Very low | 51.3 | Low | 120 Ų | 120 | 126.3 Ų | 126.3 | 84% | 0.839 | 71% | 0.711 | S | S | * | * | trans | -70.3 | 72.6 | 178.6 | 63.7 | 0 | 0 | 0 | 0 | 111 | L421 A425 | L421-S423 PolarHBondContact O-N 3.16Å; S423-A425 PolarHBondContact O-N 3.19Å | ||
| 424 | C | 40.8 | Very low | 51.2 | Low | 75 Ų | 75 | 123.2 Ų | 123.2 | 51% | 0.507 | 70% | 0.699 | S | S | . | * | trans | -65.8 | 112.2 | 175 | -165.4 | 0 | 0 | 0 | 0 | 107.8 | A422 E426 | A422-C424 PolarHBondContact O-N 3.39Å; C424-E426 PolarHBondContact O-N 2.85Å | ||
| 425 | A | 48.1 | Very low | 50.9 | Low | 103 Ų | 103 | 117.8 Ų | 117.8 | 85% | 0.851 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -72 | 17 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S423 | S423-A425 PolarHBondContact O-N 3.19Š|
| 426 | E | 46.8 | Very low | 50.6 | Low | 144 Ų | 144 | 115.1 Ų | 115.1 | 67% | 0.673 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -114.4 | 113.2 | -172.1 | -150.7 | 76.2 | -124.8 | 0 | 0 | 108.8 | C424 R428 | C424-E426 PolarHBondContact O-N 2.85Å; E426-R428 VanDerWaalsContact C-N 3.31Å; E426-R428 PolarHBondContact O-N 2.95Å |
| 427 | P | 44.9 | Very low | 50.7 | Low | 117 Ų | 117 | 119.8 Ų | 119.8 | 76% | 0.76 | 67% | 0.673 | S | S | * | * | trans | -73.1 | 85.3 | -176.8 | 29.7 | -34.7 | 0 | 0 | 0 | 110.6 | K429 | P427-K429 PolarHBondContact O-N 2.93Š| ||
| 428 | R | 46.6 | Very low | 50.4 | Low | 190 Ų | 190 | 119.8 Ų | 119.8 | 72% | 0.717 | 66% | 0.664 | S | S | * | * | trans | -60.1 | 128.1 | 164.5 | -65.8 | -177.4 | -175 | 145.1 | 6.5 | 107.4 | E426 E430 | E426-R428 VanDerWaalsContact C-N 3.31Å; E426-R428 PolarHBondContact O-N 2.95Å; R428-E430 PolarHBondContact O-N 3.46Å | ||
| 429 | K | 48.6 | Very low | 50.8 | Low | 182 Ų | 182 | 116.5 Ų | 116.5 | 79% | 0.791 | 65% | 0.652 | S | S | * | * | trans | -74 | 93.9 | 178.4 | -66.9 | -178.8 | 179.3 | -179.1 | 0 | 108.7 | P427 I431 | P427-K429 PolarHBondContact O-N 2.93Å; K429-I431 HydrophobicContact CB-CD1 4.32Å; K429-I431 HydrophobicContact CB-CG1 4.18Å; K429-I431 PolarHBondContact O-N 3.06Å | ||
| 430 | E | 51.4 | Low | 50.9 | Low | 172 Ų | 172 | 120.3 Ų | 120.3 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | trans | -63.8 | 97 | 165.7 | -73.6 | 157.1 | -157.2 | 0 | 0 | 107.8 | R428 | R428-E430 PolarHBondContact O-N 3.46Š| ||
| 431 | I | 57.8 | Low | 51.1 | Low | 121 Ų | 121 | 121.3 Ų | 121.3 | 62% | 0.621 | 67% | 0.671 | S | S | * | * | trans | -104.1 | 108.3 | 175.6 | -61.6 | 170.7 | 0 | 0 | 0 | 105.8 | K429 V433 | K429-I431 HydrophobicContact CB-CD1 4.32Å; K429-I431 HydrophobicContact CB-CG1 4.18Å; K429-I431 PolarHBondContact O-N 3.06Å; I431-V433 PolarHBondContact O-N 2.79Å | ||
| 432 | P | 53.2 | Low | 51.5 | Low | 82 Ų | 82 | 116 Ų | 116 | 53% | 0.532 | 65% | 0.648 | S | S | . | * | trans | -61.6 | 135 | 175.9 | 25.8 | -33.2 | 0 | 0 | 0 | 109.4 | T434 | P432-T434 PolarHBondContact O-N 2.82Š| ||
| 433 | V | 53.4 | Low | 51.8 | Low | 32 Ų | 32 | 116.9 Ų | 116.9 | 19% | 0.194 | 65% | 0.649 | C | S | . | * | trans | -91.6 | 81.5 | -178.9 | -173 | 0 | 0 | 0 | 0 | 108.6 | I431 Y435 K457 | I431-V433 PolarHBondContact O-N 2.79Å; V433-Y435 HydrophobicContact CB-CE2 4.34Å; V433-Y435 HydrophobicContact CG1-CD2 4.23Å; V433-Y435 HydrophobicContact CG1-CE1 4.29Å; V433-Y435 HydrophobicContact CG1-CE2 3.62Å; V433-Y435 WeakPolarHBondContact O-CD2 3.45Å; V433-Y435 PolarHBondContact O-N 2.95Å; V433-K457 HydrophobicContact CG1-CD 4.05Å; V433-K457 HydrophobicContact CG2-CD 4.41Å | ||
| 434 | T | 61 | Low | 52.5 | Low | 85 Ų | 85 | 120.2 Ų | 120.2 | 52% | 0.521 | 65% | 0.649 | S | S | . | * | trans | -75 | 114.8 | 170.1 | 34.8 | 0 | 0 | 0 | 0 | 110.2 | P432 L436 | P432-T434 PolarHBondContact O-N 2.82Å; T434-L436 VanDerWaalsContact C-N 3.31Å | ||
| 435 | Y | 58.1 | Low | 53.2 | Low | 101 Ų | 101 | 118.4 Ų | 118.4 | 40% | 0.396 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -81.6 | -10.9 | 173.8 | -70.7 | -84.2 | 0 | 0 | 0 | 113.2 | V433 D461 | V433-Y435 HydrophobicContact CB-CE2 4.34Å; V433-Y435 HydrophobicContact CG1-CD2 4.23Å; V433-Y435 HydrophobicContact CG1-CE1 4.29Å; V433-Y435 HydrophobicContact CG1-CE2 3.62Å; V433-Y435 WeakPolarHBondContact O-CD2 3.45Å; V433-Y435 PolarHBondContact O-N 2.95Å; Y435-D461 VanDerWaalsContact CE1-OD1 3.23Å; Y435-D461 WeakPolarHBondContact CE1-OD1 3.31Å; Y435-D461 PolarHBondContact OH-OD1 3.28Å |
| 436 | L | 57.9 | Low | 53.6 | Low | 103 Ų | 103 | 119.9 Ų | 119.9 | 54% | 0.539 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -118.2 | 111.4 | 178.8 | -65.5 | 168.1 | 0 | 0 | 0 | 108.9 | T434 Y438 | T434-L436 VanDerWaalsContact C-N 3.31Å; L436-Y438 VanDerWaalsContact C-N 3.29Å; L436-Y438 HydrophobicContact CB-CD2 3.9Å; L436-Y438 HydrophobicContact CB-CE2 3.52Å; L436-Y438 HydrophobicContact CD1-CE2 3.86Å; L436-Y438 HydrophobicContact CG-CE2 4.2Å; L436-Y438 PolarHBondContact O-N 2.66Å; L436-Y438 VanDerWaalsContact O-N 3.11Å |
| 437 | N | 56.6 | Low | 54.1 | Low | 163 Ų | 163 | 116.9 Ų | 116.9 | 87% | 0.872 | 64% | 0.635 | S | S | * | * | trans | -89.2 | 59.6 | -173.5 | -164.2 | 44.4 | 0 | 0 | 0 | 111.5 | ||||
| 438 | Y | 51 | Low | 54.2 | Low | 138 Ų | 138 | 115.9 Ų | 115.9 | 54% | 0.541 | 62% | 0.617 | S | S | . | * | trans | -69.6 | 143.6 | 173.8 | -60.4 | -63.2 | 0 | 0 | 0 | 110.8 | L436 S442 A445 | L436-Y438 VanDerWaalsContact C-N 3.29Å; L436-Y438 HydrophobicContact CB-CD2 3.9Å; L436-Y438 HydrophobicContact CB-CE2 3.52Å; L436-Y438 HydrophobicContact CD1-CE2 3.86Å; L436-Y438 HydrophobicContact CG-CE2 4.2Å; L436-Y438 PolarHBondContact O-N 2.66Å; L436-Y438 VanDerWaalsContact O-N 3.11Å; Y438-S442 VanDerWaalsContact CB-CB 3.47Å; Y438-A445 HydrophobicContact CD2-CB 3.88Å; Y438-A445 HydrophobicContact CE2-CB 4.08Å | ||
| 439 | G | 58.1 | Low | 54.8 | Low | 51 Ų | 51 | 111.4 Ų | 111.4 | 53% | 0.526 | 61% | 0.607 | S | S | . | * | trans | -66.7 | 177.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | L441 S442 | G439-L441 PolarHBondContact O-N 2.93Å; G439-S442 PolarHBondContact O-N 3.21Å | ||
| 440 | P | 53.9 | Low | 55.3 | Low | 140 Ų | 140 | 105.9 Ų | 105.9 | 91% | 0.909 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | 3.8 | -162.8 | -26.7 | 36.1 | 0 | 0 | 0 | 118.9 | ||
| 441 | L | 53.1 | Low | 55.6 | Low | 172 Ų | 172 | 102.1 Ų | 102.1 | 90% | 0.901 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.8 | 7 | -175 | -62.2 | 173.8 | 0 | 0 | 0 | 113.7 | G439 S443 | G439-L441 PolarHBondContact O-N 2.93Å; L441-S443 PolarHBondContact O-N 3.19Å |
| 442 | S | 54.7 | Low | 55.4 | Low | 64 Ų | 64 | 107.2 Ų | 107.2 | 45% | 0.448 | 59% | 0.592 | S | S | . | * | trans | -91.7 | 97.4 | -177.5 | -170.6 | 0 | 0 | 0 | 0 | 112.8 | Y438 G439 | Y438-S442 VanDerWaalsContact CB-CB 3.47Å; G439-S442 PolarHBondContact O-N 3.21Å | ||
| 443 | S | 49.9 | Very low | 55.8 | Low | 99 Ų | 99 | 105 Ų | 105 | 69% | 0.692 | 58% | 0.58 | S | S | * | * | trans | -91.4 | 6.2 | -172.8 | 51.2 | 0 | 0 | 0 | 0 | 116.1 | L441 | L441-S443 PolarHBondContact O-N 3.19Š| ||
| 444 | F | 56.1 | Low | 56.4 | Low | 191 Ų | 191 | 110.4 Ų | 110.4 | 84% | 0.838 | 61% | 0.614 | S | S | * | * | trans | -118.7 | 6.3 | -169.1 | -73.1 | -79.6 | 0 | 0 | 0 | 116.1 | ||||
| 445 | A | 56.1 | Low | 56.6 | Low | 37 Ų | 37 | 110 Ų | 110 | 31% | 0.306 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -83.4 | 127.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | Y438 S447 | Y438-A445 HydrophobicContact CD2-CB 3.88Å; Y438-A445 HydrophobicContact CE2-CB 4.08Å; A445-S447 PolarHBondContact O-N 3.14Å |
| 446 | P | 56.4 | Low | 57.2 | Low | 134 Ų | 134 | 108.4 Ų | 108.4 | 87% | 0.87 | 61% | 0.61 | S | S | * | * | trans | -62.8 | 108.7 | 172.6 | -23 | 34.5 | 0 | 0 | 0 | 111.5 | ||||
| 447 | S | 56.7 | Low | 57.7 | Low | 81 Ų | 81 | 108.9 Ų | 108.9 | 57% | 0.566 | 61% | 0.608 | S | S | * | * | trans | -77.6 | 127.9 | 175.9 | 41.7 | 0 | 0 | 0 | 0 | 110.6 | A445 D449 | A445-S447 PolarHBondContact O-N 3.14Å; S447-D449 PolarHBondContact O-N 2.89Å; S447-D449 VanDerWaalsContact O-N 3.12Å | ||
| 448 | Y | 48.5 | Very low | 58.4 | Low | 96 Ų | 96 | 111.3 Ų | 111.3 | 38% | 0.376 | 61% | 0.605 | S | S | . | * | trans | -75.4 | 103.2 | -179.7 | -172.5 | -93 | 0 | 0 | 0 | 110.6 | S450 A453 | Y448-S450 PolarHBondContact O-N 2.99Å; Y448-A453 HydrophobicContact CE1-CB 4.12Å; Y448-A453 WeakPolarHBondContact OH-CB 3.24Å | ||
| 449 | D | 58.5 | Low | 59.4 | Low | 96 Ų | 96 | 109.4 Ų | 109.4 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | trans | -74.2 | 117.7 | 172.2 | -174.9 | 0.1 | 0 | 0 | 0 | 110.4 | S447 T451 | S447-D449 PolarHBondContact O-N 2.89Å; S447-D449 VanDerWaalsContact O-N 3.12Å; D449-T451 WeakPolarHBondContact OD1-CB 3.34Å; D449-T451 VanDerWaalsContact OD1-CG2 3.28Å; D449-T451 WeakPolarHBondContact OD1-CG2 3.49Å; D449-T451 PolarHBondContact OD1-N 3.33Å; D449-T451 PolarHBondContact OD1-OG1 2.88Å; D449-T451 PolarHBondContact OD2-OG1 2.89Å | ||
| 450 | S | 59.9 | Low | 60.2 | Low | 66 Ų | 66 | 107.8 Ų | 107.8 | 46% | 0.462 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -84.1 | -6.7 | 180 | 58.4 | 0 | 0 | 0 | 0 | 114.1 | Y448 W452 A453 | Y448-S450 PolarHBondContact O-N 2.99Å; S450-W452 PolarHBondContact O-N 3.19Å; S450-A453 PolarHBondContact O-N 3.49Å |
| 451 | T | 56 | Low | 60.9 | Low | 93 Ų | 93 | 103.9 Ų | 103.9 | 57% | 0.571 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -64.8 | -22.4 | -177.3 | 60.3 | 0 | 0 | 0 | 0 | 113.9 | D449 | D449-T451 WeakPolarHBondContact OD1-CB 3.34Å; D449-T451 VanDerWaalsContact OD1-CG2 3.28Å; D449-T451 WeakPolarHBondContact OD1-CG2 3.49Å; D449-T451 PolarHBondContact OD1-N 3.33Å; D449-T451 PolarHBondContact OD1-OG1 2.88Å; D449-T451 PolarHBondContact OD2-OG1 2.89Å |
| 452 | W | 54.6 | Low | 61.9 | Low | 228 Ų | 228 | 101.6 Ų | 101.6 | 86% | 0.864 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -107.4 | 2.3 | 177.7 | -62 | 84.5 | 0 | 0 | 0 | 114 | S450 | S450-W452 PolarHBondContact O-N 3.19Š|
| 453 | A | 61.8 | Low | 62.9 | Low | 34 Ų | 34 | 103 Ų | 103 | 28% | 0.281 | 54% | 0.537 | S | S | . | . | trans | -84.9 | 118.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y448 S450 L455 | Y448-A453 HydrophobicContact CE1-CB 4.12Å; Y448-A453 WeakPolarHBondContact OH-CB 3.24Å; S450-A453 PolarHBondContact O-N 3.49Å; A453-L455 VanDerWaalsContact C-N 3.27Å; A453-L455 PolarHBondContact O-N 3.4Å | ||
| 454 | T | 66 | Low | 63.9 | Low | 147 Ų | 147 | 100.6 Ų | 100.6 | 90% | 0.902 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -78.2 | -6.8 | 172.7 | 36.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 455 | L | 64.8 | Low | 64.6 | Low | 76 Ų | 76 | 93.2 Ų | 93.2 | 40% | 0.398 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -104.8 | 131.9 | 179.4 | -67.3 | 169.2 | 0 | 0 | 0 | 110.8 | A453 E459 I463 | A453-L455 VanDerWaalsContact C-N 3.27Å; A453-L455 PolarHBondContact O-N 3.4Å; L455-E459 HydrophobicContact CD2-CB 4.41Å; L455-E459 WeakPolarHBondContact CD2-OE2 3.48Å; L455-I463 HydrophobicContact CD1-CD1 3.87Å |
| 456 | P | 71.6 | Confident | 65.5 | Low | 68 Ų | 68 | 94.2 Ų | 94.2 | 44% | 0.442 | 49% | 0.492 | S | S | . | . | trans | -72.3 | 148.6 | 174 | 32 | -35.2 | 0 | 0 | 0 | 110.6 | R458 E459 T460 | P456-R458 PolarHBondContact O-N 2.91Å; P456-E459 WeakPolarHBondContact CD-OE2 3.11Å; P456-E459 HydrophobicContact CG-CB 4.33Å; P456-E459 VanDerWaalsContact CG-CD 3.46Å; P456-E459 HydrophobicContact CG-CG 4.03Å; P456-E459 WeakPolarHBondContact CG-OE1 3.43Å; P456-E459 WeakPolarHBondContact O-CB 3.38Å; P456-E459 PolarHBondContact O-N 3.1Å; P456-T460 PolarHBondContact O-N 3.42Å; P456-T460 PolarHBondContact O-OG1 3.33Å | ||
| 457 | K | 68.1 | Low | 66.1 | Low | 113 Ų | 113 | 90.8 Ų | 90.8 | 49% | 0.491 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -42.3 | -43.1 | -172.9 | 176.7 | 170.9 | 178.6 | 173.3 | 0 | 115.2 | V433 E459 T460 D461 | V433-K457 HydrophobicContact CG1-CD 4.05Å; V433-K457 HydrophobicContact CG2-CD 4.41Å; K457-E459 VanDerWaalsContact C-N 3.26Å; K457-E459 PolarHBondContact O-N 3.21Å; K457-T460 CarbonylContact O-C 3.54Å; K457-T460 WeakPolarHBondContact O-CB 3.47Å; K457-T460 PolarHBondContact O-N 3.13Å; K457-T460 VanDerWaalsContact O-N 3.14Å; K457-T460 PolarHBondContact O-OG1 2.86Å; K457-D461 WeakPolarHBondContact CE-OD1 3.39Å; K457-D461 WeakPolarHBondContact CE-OD2 3.38Å; K457-D461 WeakPolarHBondContact CG-OD1 3.38Å; K457-D461 WeakPolarHBondContact CG-OD2 3.31Å; K457-D461 WeakPolarHBondContact O-CB 3.25Å; K457-D461 PolarHBondContact O-N 2.87Å |
| 458 | R | 71.4 | Confident | 66.8 | Low | 213 Ų | 213 | 93.2 Ų | 93.2 | 80% | 0.804 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.6 | -32.9 | -179.1 | -58.4 | -175.1 | -163.5 | 151.6 | 3.6 | 113.6 | P456 F462 | P456-R458 PolarHBondContact O-N 2.91Å; R458-F462 VanDerWaalsContact O-CB 3.29Å; R458-F462 WeakPolarHBondContact O-CB 3.26Å; R458-F462 PolarHBondContact O-N 3.19Å |
| 459 | E | 71.3 | Confident | 67.9 | Low | 98 Ų | 98 | 93.7 Ų | 93.7 | 46% | 0.458 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -78.3 | -35.2 | 178.4 | -69.1 | 167.7 | -142.6 | 0 | 0 | 110.1 | L455 P456 K457 F462 I463 | L455-E459 HydrophobicContact CD2-CB 4.41Å; L455-E459 WeakPolarHBondContact CD2-OE2 3.48Å; P456-E459 WeakPolarHBondContact CD-OE2 3.11Å; P456-E459 HydrophobicContact CG-CB 4.33Å; P456-E459 VanDerWaalsContact CG-CD 3.46Å; P456-E459 HydrophobicContact CG-CG 4.03Å; P456-E459 WeakPolarHBondContact CG-OE1 3.43Å; P456-E459 WeakPolarHBondContact O-CB 3.38Å; P456-E459 PolarHBondContact O-N 3.1Å; K457-E459 VanDerWaalsContact C-N 3.26Å; K457-E459 PolarHBondContact O-N 3.21Å; E459-F462 PolarHBondContact O-N 2.91Å; E459-I463 WeakPolarHBondContact O-CB 3.4Å; E459-I463 WeakPolarHBondContact O-CD1 3.46Å; E459-I463 WeakPolarHBondContact O-CG1 3.16Å; E459-I463 PolarHBondContact O-N 3.49Å |
| 460 | T | 74.8 | Confident | 68.4 | Low | 18 Ų | 18 | 94.6 Ų | 94.6 | 11% | 0.11 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -62.3 | -49.9 | 169 | -25.9 | 0 | 0 | 0 | 0 | 111.5 | P456 K457 F462 I463 C464 | P456-T460 PolarHBondContact O-N 3.42Å; P456-T460 PolarHBondContact O-OG1 3.33Å; K457-T460 CarbonylContact O-C 3.54Å; K457-T460 WeakPolarHBondContact O-CB 3.47Å; K457-T460 PolarHBondContact O-N 3.13Å; K457-T460 VanDerWaalsContact O-N 3.14Å; K457-T460 PolarHBondContact O-OG1 2.86Å; T460-F462 VanDerWaalsContact C-N 3.3Å; T460-F462 PolarHBondContact O-N 3.37Å; T460-I463 PolarHBondContact O-N 3.19Å; T460-C464 PolarHBondContact O-N 2.9Å; T460-C464 PolarHBondContact O-SG 2.94Å; T460-C464 VanDerWaalsContact O-SG 3.34Å |
| 461 | D | 69.1 | Low | 68.8 | Low | 57 Ų | 57 | 97.4 Ų | 97.4 | 31% | 0.305 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.6 | -42.7 | 176.8 | -62.2 | -17.2 | 0 | 0 | 0 | 111.1 | Y435 K457 C464 S465 | Y435-D461 VanDerWaalsContact CE1-OD1 3.23Å; Y435-D461 WeakPolarHBondContact CE1-OD1 3.31Å; Y435-D461 PolarHBondContact OH-OD1 3.28Å; K457-D461 WeakPolarHBondContact CE-OD1 3.39Å; K457-D461 WeakPolarHBondContact CE-OD2 3.38Å; K457-D461 WeakPolarHBondContact CG-OD1 3.38Å; K457-D461 WeakPolarHBondContact CG-OD2 3.31Å; K457-D461 WeakPolarHBondContact O-CB 3.25Å; K457-D461 PolarHBondContact O-N 2.87Å; D461-C464 PolarHBondContact O-N 3.38Å; D461-S465 PolarHBondContact O-N 2.95Å |
| 462 | F | 74.7 | Confident | 69.6 | Low | 124 Ų | 124 | 95.8 Ų | 95.8 | 54% | 0.544 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.8 | -50.6 | 176.1 | -178.8 | -99.2 | 0 | 0 | 0 | 111.8 | R458 E459 T460 C464 S465 D466 | R458-F462 VanDerWaalsContact O-CB 3.29Å; R458-F462 WeakPolarHBondContact O-CB 3.26Å; R458-F462 PolarHBondContact O-N 3.19Å; E459-F462 PolarHBondContact O-N 2.91Å; T460-F462 VanDerWaalsContact C-N 3.3Å; T460-F462 PolarHBondContact O-N 3.37Å; F462-C464 VanDerWaalsContact C-N 3.32Å; F462-C464 PolarHBondContact O-N 2.95Å; F462-S465 PolarHBondContact O-N 2.84Å; F462-S465 PolarHBondContact O-OG 3.42Å; F462-D466 VanDerWaalsContact CZ-OD2 3.28Å; F462-D466 WeakPolarHBondContact CZ-OD2 3.32Å; F462-D466 PolarHBondContact O-N 3.46Å |
| 463 | I | 74.3 | Confident | 70.4 | Confident | 94 Ų | 94 | 90.2 Ų | 90.2 | 48% | 0.482 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.5 | -42.5 | 177.8 | -71 | 163.7 | 0 | 0 | 0 | 111.3 | L455 E459 T460 S467 | L455-I463 HydrophobicContact CD1-CD1 3.87Å; E459-I463 WeakPolarHBondContact O-CB 3.4Å; E459-I463 WeakPolarHBondContact O-CD1 3.46Å; E459-I463 WeakPolarHBondContact O-CG1 3.16Å; E459-I463 PolarHBondContact O-N 3.49Å; T460-I463 PolarHBondContact O-N 3.19Å; I463-S467 WeakPolarHBondContact O-CB 3.44Å; I463-S467 PolarHBondContact O-N 3.06Å; I463-S467 PolarHBondContact O-OG 3.3Å |
| 464 | C | 70.8 | Confident | 70.7 | Confident | 49 Ų | 49 | 93.4 Ų | 93.4 | 33% | 0.331 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.6 | -53.2 | 173.9 | -69 | 0 | 0 | 0 | 0 | 111 | T460 D461 F462 D466 S467 E468 | T460-C464 PolarHBondContact O-N 2.9Å; T460-C464 PolarHBondContact O-SG 2.94Å; T460-C464 VanDerWaalsContact O-SG 3.34Å; D461-C464 PolarHBondContact O-N 3.38Å; F462-C464 VanDerWaalsContact C-N 3.32Å; F462-C464 PolarHBondContact O-N 2.95Å; C464-D466 VanDerWaalsContact C-N 3.31Å; C464-D466 PolarHBondContact O-N 3.43Å; C464-S467 WeakPolarHBondContact O-CB 3.31Å; C464-S467 PolarHBondContact O-N 3.09Å; C464-S467 PolarHBondContact O-OG 3.39Å; C464-E468 PolarHBondContact O-N 3.03Å |
| 465 | S | 72.2 | Confident | 71 | Confident | 36 Ų | 36 | 89.1 Ų | 89.1 | 25% | 0.252 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.7 | -34.6 | -176.9 | 81.8 | 0 | 0 | 0 | 0 | 113.7 | D461 F462 K469 | D461-S465 PolarHBondContact O-N 2.95Å; F462-S465 PolarHBondContact O-N 2.84Å; F462-S465 PolarHBondContact O-OG 3.42Å; S465-K469 WeakPolarHBondContact O-CD 3.33Å; S465-K469 WeakPolarHBondContact O-CE 3.4Å; S465-K469 VanDerWaalsContact O-CG 3.28Å; S465-K469 WeakPolarHBondContact O-CG 3.4Å; S465-K469 PolarHBondContact O-N 3.28Å; S465-K469 PolarHBondContact OG-NZ 2.91Å |
| 466 | D | 75.1 | Confident | 71.2 | Confident | 57 Ų | 57 | 87.1 Ų | 87.1 | 31% | 0.305 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -78.5 | -28.8 | 175.4 | -85.1 | 5.7 | 0 | 0 | 0 | 112 | F462 C464 K469 L470 | F462-D466 VanDerWaalsContact CZ-OD2 3.28Å; F462-D466 WeakPolarHBondContact CZ-OD2 3.32Å; F462-D466 PolarHBondContact O-N 3.46Å; C464-D466 VanDerWaalsContact C-N 3.31Å; C464-D466 PolarHBondContact O-N 3.43Å; D466-K469 IonicContact OD1-NZ 3.11Å; D466-K469 PolarHBondContact OD1-NZ 3.06Å; D466-L470 WeakPolarHBondContact O-CB 3.25Å; D466-L470 VanDerWaalsContact O-CG 3.24Å; D466-L470 WeakPolarHBondContact O-CG 3.37Å; D466-L470 PolarHBondContact O-N 2.92Å |
| 467 | S | 68.7 | Low | 71.2 | Confident | 62 Ų | 62 | 92.7 Ų | 92.7 | 43% | 0.434 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66 | -39.2 | 172.3 | 78.1 | 0 | 0 | 0 | 0 | 112.3 | I463 C464 L470 L471 | I463-S467 WeakPolarHBondContact O-CB 3.44Å; I463-S467 PolarHBondContact O-N 3.06Å; I463-S467 PolarHBondContact O-OG 3.3Å; C464-S467 WeakPolarHBondContact O-CB 3.31Å; C464-S467 PolarHBondContact O-N 3.09Å; C464-S467 PolarHBondContact O-OG 3.39Å; S467-L470 PolarHBondContact O-N 3.34Å; S467-L471 WeakPolarHBondContact O-CB 3.37Å; S467-L471 PolarHBondContact O-N 2.79Å |
| 468 | E | 70.8 | Confident | 71.3 | Confident | 133 Ų | 133 | 89.7 Ų | 89.7 | 62% | 0.621 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.5 | -47.5 | 174.6 | -68.8 | 172.9 | 164.1 | 0 | 0 | 111.5 | C464 L470 L471 A472 | C464-E468 PolarHBondContact O-N 3.03Å; E468-L470 VanDerWaalsContact C-N 3.32Å; E468-L470 PolarHBondContact O-N 2.91Å; E468-L471 PolarHBondContact O-N 2.7Å; E468-A472 PolarHBondContact O-N 2.92Å |
| 469 | K | 72.2 | Confident | 70.9 | Confident | 106 Ų | 106 | 83.9 Ų | 83.9 | 46% | 0.461 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 175 | -66.2 | 164.5 | -146.7 | 151 | 0 | 111.7 | S465 D466 N473 | S465-K469 WeakPolarHBondContact O-CD 3.33Å; S465-K469 WeakPolarHBondContact O-CE 3.4Å; S465-K469 VanDerWaalsContact O-CG 3.28Å; S465-K469 WeakPolarHBondContact O-CG 3.4Å; S465-K469 PolarHBondContact O-N 3.28Å; S465-K469 PolarHBondContact OG-NZ 2.91Å; D466-K469 IonicContact OD1-NZ 3.11Å; D466-K469 PolarHBondContact OD1-NZ 3.06Å; K469-N473 WeakPolarHBondContact O-CB 3.19Å; K469-N473 PolarHBondContact O-N 3.03Å; K469-N473 PolarHBondContact O-ND2 3.01Å |
| 470 | L | 68.2 | Low | 70.8 | Confident | 115 Ų | 115 | 86.5 Ų | 86.5 | 60% | 0.602 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.3 | -38.3 | 176.5 | -76.7 | 169.9 | 0 | 0 | 0 | 111.8 | D466 S467 E468 F474 | D466-L470 WeakPolarHBondContact O-CB 3.25Å; D466-L470 VanDerWaalsContact O-CG 3.24Å; D466-L470 WeakPolarHBondContact O-CG 3.37Å; D466-L470 PolarHBondContact O-N 2.92Å; S467-L470 PolarHBondContact O-N 3.34Å; E468-L470 VanDerWaalsContact C-N 3.32Å; E468-L470 PolarHBondContact O-N 2.91Å; L470-F474 VanDerWaalsContact O-CB 3.25Å; L470-F474 WeakPolarHBondContact O-CB 3.49Å; L470-F474 PolarHBondContact O-N 3.45Å |
| 471 | L | 69.4 | Low | 70.5 | Confident | 125 Ų | 125 | 90.4 Ų | 90.4 | 65% | 0.654 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -68.2 | -42 | 177.6 | -159.9 | 72.5 | 0 | 0 | 0 | 111.9 | S467 E468 F474 S475 | S467-L471 WeakPolarHBondContact O-CB 3.37Å; S467-L471 PolarHBondContact O-N 2.79Å; E468-L471 PolarHBondContact O-N 2.7Å; L471-F474 PolarHBondContact O-N 3.12Å; L471-S475 PolarHBondContact O-N 3.37Å |
| 472 | A | 71.1 | Confident | 70.4 | Confident | 59 Ų | 59 | 92.8 Ų | 92.8 | 49% | 0.488 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E468 F474 S475 A476 | E468-A472 PolarHBondContact O-N 2.92Å; A472-F474 VanDerWaalsContact C-N 3.32Å; A472-F474 PolarHBondContact O-N 3.32Å; A472-S475 PolarHBondContact O-N 3.43Å; A472-A476 WeakPolarHBondContact O-CB 3.45Å; A472-A476 PolarHBondContact O-N 3.02Å |
| 473 | N | 71.2 | Confident | 70 | Confident | 111 Ų | 111 | 89.5 Ų | 89.5 | 59% | 0.594 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.7 | -36 | 175.1 | -78.4 | -50.9 | 0 | 0 | 0 | 112.6 | K469 R477 | K469-N473 WeakPolarHBondContact O-CB 3.19Å; K469-N473 PolarHBondContact O-N 3.03Å; K469-N473 PolarHBondContact O-ND2 3.01Å; N473-R477 WeakPolarHBondContact O-CB 3.33Å; N473-R477 PolarHBondContact O-N 2.82Å |
| 474 | F | 69.4 | Low | 69.9 | Low | 100 Ų | 100 | 89 Ų | 89 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.8 | -48.1 | 175 | -179.2 | -100.7 | 0 | 0 | 0 | 111.4 | M13 L470 L471 A472 A476 R477 C478 | M13-F474 HydrophobicContact SD-CE1 4.14Å; M13-F474 HydrophobicContact SD-CZ 3.88Å; L470-F474 VanDerWaalsContact O-CB 3.25Å; L470-F474 WeakPolarHBondContact O-CB 3.49Å; L470-F474 PolarHBondContact O-N 3.45Å; L471-F474 PolarHBondContact O-N 3.12Å; A472-F474 VanDerWaalsContact C-N 3.32Å; A472-F474 PolarHBondContact O-N 3.32Å; F474-A476 PolarHBondContact O-N 3.09Å; F474-R477 PolarHBondContact O-N 2.87Å; F474-R477 VanDerWaalsContact O-N 3.16Å; F474-C478 VanDerWaalsContact CZ-SG 3.58Å; F474-C478 PolarHBondContact O-N 2.84Å; F474-C478 PolarHBondContact O-SG 3.32Å |
| 475 | S | 71.8 | Confident | 69.7 | Low | 57 Ų | 57 | 93.7 Ų | 93.7 | 40% | 0.399 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.7 | -50.3 | 175.6 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | L471 A472 R477 C478 H479 | L471-S475 PolarHBondContact O-N 3.37Å; A472-S475 PolarHBondContact O-N 3.43Å; S475-R477 VanDerWaalsContact C-N 3.26Å; S475-R477 PolarHBondContact O-N 3.1Å; S475-C478 PolarHBondContact O-N 3.39Å; S475-C478 VanDerWaalsContact O-N 3.16Å; S475-H479 PolarHBondContact O-N 3.11Å |
| 476 | A | 69.8 | Low | 69.1 | Low | 34 Ų | 34 | 95.9 Ų | 95.9 | 28% | 0.281 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.2 | -34.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | A472 F474 K480 | A472-A476 WeakPolarHBondContact O-CB 3.45Å; A472-A476 PolarHBondContact O-N 3.02Å; F474-A476 PolarHBondContact O-N 3.09Å; A476-K480 WeakPolarHBondContact O-CG 3.37Å; A476-K480 PolarHBondContact O-N 3.11Å |
| 477 | R | 71.5 | Confident | 68.4 | Low | 185 Ų | 185 | 97.4 Ų | 97.4 | 70% | 0.698 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.9 | -38.7 | 176 | -165.6 | 173.9 | -170.8 | 167.5 | 3.5 | 112.4 | N473 F474 S475 K480 L481 | N473-R477 WeakPolarHBondContact O-CB 3.33Å; N473-R477 PolarHBondContact O-N 2.82Å; F474-R477 PolarHBondContact O-N 2.87Å; F474-R477 VanDerWaalsContact O-N 3.16Å; S475-R477 VanDerWaalsContact C-N 3.26Å; S475-R477 PolarHBondContact O-N 3.1Å; R477-K480 PolarHBondContact O-N 3.45Å; R477-L481 WeakPolarHBondContact O-CG 3.43Å; R477-L481 PolarHBondContact O-N 2.84Å |
| 478 | C | 68.7 | Low | 68.1 | Low | 51 Ų | 51 | 102.7 Ų | 102.7 | 35% | 0.345 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 175.3 | -66 | 0 | 0 | 0 | 0 | 111.5 | F474 S475 K480 L481 F482 | F474-C478 VanDerWaalsContact CZ-SG 3.58Å; F474-C478 PolarHBondContact O-N 2.84Å; F474-C478 PolarHBondContact O-SG 3.32Å; S475-C478 PolarHBondContact O-N 3.39Å; S475-C478 VanDerWaalsContact O-N 3.16Å; C478-K480 PolarHBondContact O-N 3.45Å; C478-L481 PolarHBondContact O-N 3.38Å; C478-F482 WeakPolarHBondContact O-CB 3.34Å; C478-F482 PolarHBondContact O-N 3.36Å |
| 479 | H | 62.9 | Low | 67.1 | Low | 90 Ų | 90 | 99.2 Ų | 99.2 | 42% | 0.417 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 174.7 | -87.7 | -80.7 | 0 | 0 | 0 | 112.8 | S475 F482 A483 L493 | S475-H479 PolarHBondContact O-N 3.11Å; H479-F482 PolarHBondContact O-N 3.48Å; H479-A483 WeakPolarHBondContact O-CB 3.38Å; H479-A483 PolarHBondContact O-N 3.45Å; H479-L493 HydrophobicContact CB-CD2 4.4Å |
| 480 | K | 69.5 | Low | 66.1 | Low | 153 Ų | 153 | 105.3 Ų | 105.3 | 67% | 0.665 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.5 | -40.4 | 173.7 | -79.6 | -175.4 | 175.3 | -174.3 | 0 | 112.8 | A476 R477 C478 S484 | A476-K480 WeakPolarHBondContact O-CG 3.37Å; A476-K480 PolarHBondContact O-N 3.11Å; R477-K480 PolarHBondContact O-N 3.45Å; C478-K480 PolarHBondContact O-N 3.45Å; K480-S484 PolarHBondContact O-N 2.95Å; K480-S484 VanDerWaalsContact O-N 3.13Å; K480-S484 PolarHBondContact O-OG 2.89Å |
| 481 | L | 69.7 | Low | 65.5 | Low | 100 Ų | 100 | 104.6 Ų | 104.6 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.7 | -44 | 175.7 | -73.1 | 165.9 | 0 | 0 | 0 | 111.6 | R477 C478 S484 H485 | R477-L481 WeakPolarHBondContact O-CG 3.43Å; R477-L481 PolarHBondContact O-N 2.84Å; C478-L481 PolarHBondContact O-N 3.38Å; L481-S484 WeakPolarHBondContact CA-OG 3.41Å; L481-S484 PolarHBondContact O-N 2.87Å; L481-S484 PolarHBondContact O-OG 3.29Å; L481-H485 PolarHBondContact O-N 3.27Å |
| 482 | F | 66.7 | Low | 64.9 | Low | 107 Ų | 107 | 103.9 Ų | 103.9 | 47% | 0.469 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.1 | -48.9 | 176.4 | -176 | -96.5 | 0 | 0 | 0 | 111.9 | C478 H479 S484 H485 H486 C489 | C478-F482 WeakPolarHBondContact O-CB 3.34Å; C478-F482 PolarHBondContact O-N 3.36Å; H479-F482 PolarHBondContact O-N 3.48Å; F482-S484 PolarHBondContact O-N 3.41Å; F482-H485 PolarHBondContact O-N 2.93Å; F482-H486 AromaticContact CD2-CD2 3.97Å; F482-H486 AromaticContact CE2-CD2 3.58Å; F482-H486 AromaticContact CZ-CD2 3.87Å; F482-H486 PolarHBondContact O-N 3.43Å; F482-C489 HydrophobicContact CE1-CB 3.97Å |
| 483 | A | 66.4 | Low | 64 | Low | 55 Ų | 55 | 104.9 Ų | 104.9 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -25.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | H479 | H479-A483 WeakPolarHBondContact O-CB 3.38Å; H479-A483 PolarHBondContact O-N 3.45Å |
| 484 | S | 71.3 | Confident | 63.2 | Low | 84 Ų | 84 | 102.1 Ų | 102.1 | 59% | 0.587 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -78.5 | -20.2 | 172.9 | 64.2 | 0 | 0 | 0 | 0 | 114.6 | K480 L481 F482 | K480-S484 PolarHBondContact O-N 2.95Å; K480-S484 VanDerWaalsContact O-N 3.13Å; K480-S484 PolarHBondContact O-OG 2.89Å; L481-S484 WeakPolarHBondContact CA-OG 3.41Å; L481-S484 PolarHBondContact O-N 2.87Å; L481-S484 PolarHBondContact O-OG 3.29Å; F482-S484 PolarHBondContact O-N 3.41Å |
| 485 | H | 67.8 | Low | 62.4 | Low | 148 Ų | 148 | 104.7 Ų | 104.7 | 69% | 0.685 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -96.5 | -22.2 | 176.2 | -88.6 | -81.4 | 0 | 0 | 0 | 113.7 | L481 F482 | L481-H485 PolarHBondContact O-N 3.27Å; F482-H485 PolarHBondContact O-N 2.93Å |
| 486 | H | 58.8 | Low | 61.6 | Low | 81 Ų | 81 | 105.1 Ų | 105.1 | 38% | 0.375 | 54% | 0.54 | S | S | . | . | trans | -128.9 | 80.9 | -179.9 | -64.2 | -68.7 | 0 | 0 | 0 | 111.1 | F482 E488 C489 | F482-H486 AromaticContact CD2-CD2 3.97Å; F482-H486 AromaticContact CE2-CD2 3.58Å; F482-H486 AromaticContact CZ-CD2 3.87Å; F482-H486 PolarHBondContact O-N 3.43Å; H486-E488 PolarHBondContact O-N 3.02Å; H486-C489 HydrophobicContact CB-CB 3.91Å; H486-C489 PolarHBondContact O-N 3.24Å | ||
| 487 | P | 61.6 | Low | 60.5 | Low | 90 Ų | 90 | 109 Ų | 109 | 58% | 0.584 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -28.7 | 179.5 | 25.2 | -33.5 | 0 | 0 | 0 | 112.8 | C489 | P487-C489 PolarHBondContact O-N 3Š|
| 488 | E | 60.7 | Low | 59.5 | Low | 173 Ų | 173 | 104.4 Ų | 104.4 | 81% | 0.808 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -29.4 | 173 | -39.7 | -49.9 | 135.3 | 0 | 0 | 112.8 | H486 R490 | H486-E488 PolarHBondContact O-N 3.02Å; E488-R490 VanDerWaalsContact C-N 3.34Å; E488-R490 PolarHBondContact O-N 3.21Å |
| 489 | C | 51.7 | Low | 58.5 | Low | 59 Ų | 59 | 105.1 Ų | 105.1 | 40% | 0.399 | 55% | 0.546 | S | S | . | . | trans | -96 | 49.4 | -170.7 | -61.2 | 0 | 0 | 0 | 0 | 112.3 | F482 H486 P487 V491 | F482-C489 HydrophobicContact CE1-CB 3.97Å; H486-C489 HydrophobicContact CB-CB 3.91Å; H486-C489 PolarHBondContact O-N 3.24Å; P487-C489 PolarHBondContact O-N 3Å; C489-V491 VanDerWaalsContact C-N 3.3Å; C489-V491 PolarHBondContact O-N 2.89Å | ||
| 490 | R | 49.3 | Very low | 57.6 | Low | 235 Ų | 235 | 104.4 Ų | 104.4 | 89% | 0.887 | 55% | 0.551 | S | S | * | * | trans | -78.6 | 70 | -173.2 | -157.2 | 178.3 | -166 | 178.5 | 4.7 | 113.1 | E488 | E488-R490 VanDerWaalsContact C-N 3.34Å; E488-R490 PolarHBondContact O-N 3.21Å | ||
| 491 | V | 57.4 | Low | 56.5 | Low | 99 Ų | 99 | 100.6 Ų | 100.6 | 60% | 0.6 | 54% | 0.541 | S | S | * | . | trans | -66.9 | 129.3 | 171.9 | -177.7 | 0 | 0 | 0 | 0 | 110 | C489 L493 V496 | C489-V491 VanDerWaalsContact C-N 3.3Å; C489-V491 PolarHBondContact O-N 2.89Å; V491-L493 PolarHBondContact O-N 3.22Å; V491-V496 HydrophobicContact CG1-CG2 3.85Å | ||
| 492 | D | 55.1 | Low | 55.2 | Low | 111 Ų | 111 | 103.1 Ų | 103.1 | 59% | 0.594 | 55% | 0.547 | S | S | * | . | trans | -75.5 | 111.3 | -178.4 | -158.5 | -29.1 | 0 | 0 | 0 | 111.4 | A494 E495 | D492-A494 PolarHBondContact O-N 3.36Å; D492-A494 VanDerWaalsContact O-N 3.17Å; D492-A494 PolarHBondContact OD1-N 3.5Å; D492-A494 VanDerWaalsContact OD1-N 3.16Å; D492-E495 PolarHBondContact O-N 3.27Å; D492-E495 VanDerWaalsContact O-N 3.15Å | ||
| 493 | L | 53.2 | Low | 54.1 | Low | 80 Ų | 80 | 101.9 Ų | 101.9 | 42% | 0.419 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.4 | -25 | -176.7 | -72.9 | 168 | 0 | 0 | 0 | 112.5 | H479 V491 E495 F497 | H479-L493 HydrophobicContact CB-CD2 4.4Å; V491-L493 PolarHBondContact O-N 3.22Å; L493-E495 VanDerWaalsContact C-N 3.3Å; L493-E495 PolarHBondContact O-N 3.45Å; L493-F497 HydrophobicContact CD2-CE2 4.47Å; L493-F497 WeakPolarHBondContact O-CD2 3.25Å; L493-F497 PolarHBondContact O-N 3.49Å; L493-F497 VanDerWaalsContact O-N 3.14Å |
| 494 | A | 54.2 | Low | 53 | Low | 53 Ų | 53 | 106.2 Ų | 106.2 | 44% | 0.438 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.5 | -38.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | D492 N498 | D492-A494 PolarHBondContact O-N 3.36Å; D492-A494 VanDerWaalsContact O-N 3.17Å; D492-A494 PolarHBondContact OD1-N 3.5Å; D492-A494 VanDerWaalsContact OD1-N 3.16Å; A494-N498 WeakPolarHBondContact O-CB 3.5Å; A494-N498 PolarHBondContact O-N 3.37Å; A494-N498 PolarHBondContact O-ND2 2.8Å |
| 495 | E | 53 | Low | 51.6 | Low | 154 Ų | 154 | 105.9 Ų | 105.9 | 72% | 0.72 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -78.1 | -37.9 | -176.1 | -165.9 | 161.6 | -129.4 | 0 | 0 | 112.2 | D492 L493 N498 S499 | D492-E495 PolarHBondContact O-N 3.27Å; D492-E495 VanDerWaalsContact O-N 3.15Å; L493-E495 VanDerWaalsContact C-N 3.3Å; L493-E495 PolarHBondContact O-N 3.45Å; E495-N498 PolarHBondContact O-N 3.07Å; E495-S499 WeakPolarHBondContact O-CB 3.47Å; E495-S499 PolarHBondContact O-N 2.92Å; E495-S499 PolarHBondContact O-OG 3.2Å; E495-S499 VanDerWaalsContact O-OG 3.14Å |
| 496 | V | 53.7 | Low | 50.3 | Low | 66 Ų | 66 | 101.2 Ų | 101.2 | 40% | 0.4 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 176.6 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | V491 S499 | V491-V496 HydrophobicContact CG1-CG2 3.85Å; V496-S499 PolarHBondContact O-OG 3.42Å |
| 497 | F | 48.3 | Very low | 49.6 | Very low | 114 Ų | 114 | 104.2 Ų | 104.2 | 50% | 0.5 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -74.9 | -36.6 | 174.6 | -85.2 | -85.5 | 0 | 0 | 0 | 112.6 | L493 S500 T501 | L493-F497 HydrophobicContact CD2-CE2 4.47Å; L493-F497 WeakPolarHBondContact O-CD2 3.25Å; L493-F497 PolarHBondContact O-N 3.49Å; L493-F497 VanDerWaalsContact O-N 3.14Å; F497-S500 PolarHBondContact O-N 2.97Å; F497-T501 PolarHBondContact O-N 2.87Å; F497-T501 PolarHBondContact O-OG1 3.28Å |
| 498 | N | 50.2 | Low | 48.7 | Very low | 90 Ų | 90 | 103.3 Ų | 103.3 | 48% | 0.481 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -74.8 | -23.7 | 179.6 | -76 | -37.1 | 0 | 0 | 0 | 114.4 | A494 E495 T501 K502 | A494-N498 WeakPolarHBondContact O-CB 3.5Å; A494-N498 PolarHBondContact O-N 3.37Å; A494-N498 PolarHBondContact O-ND2 2.8Å; E495-N498 PolarHBondContact O-N 3.07Å; N498-T501 WeakPolarHBondContact CA-OG1 3.17Å; N498-T501 PolarHBondContact O-OG1 3.14Å; N498-K502 WeakPolarHBondContact O-CB 3.29Å; N498-K502 WeakPolarHBondContact O-CD 3.39Å; N498-K502 WeakPolarHBondContact O-CG 3.36Å; N498-K502 PolarHBondContact O-N 3.49Å |
| 499 | S | 47.4 | Very low | 48 | Very low | 65 Ų | 65 | 99.4 Ų | 99.4 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.6 | -45.5 | 170.9 | 56.1 | 0 | 0 | 0 | 0 | 111.3 | E495 V496 T501 K502 T503 | E495-S499 WeakPolarHBondContact O-CB 3.47Å; E495-S499 PolarHBondContact O-N 2.92Å; E495-S499 PolarHBondContact O-OG 3.2Å; E495-S499 VanDerWaalsContact O-OG 3.14Å; V496-S499 PolarHBondContact O-OG 3.42Å; S499-T501 PolarHBondContact O-N 3.19Å; S499-K502 PolarHBondContact O-N 3.37Å; S499-T503 PolarHBondContact O-N 3.47Å; S499-T503 VanDerWaalsContact O-N 3.11Å; S499-T503 PolarHBondContact O-OG1 3.12Å |
| 500 | S | 44.5 | Very low | 47.7 | Very low | 76 Ų | 76 | 103.5 Ų | 103.5 | 53% | 0.531 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63 | -41.1 | 179.1 | -167.2 | 0 | 0 | 0 | 0 | 113.2 | F497 T503 Q504 | F497-S500 PolarHBondContact O-N 2.97Å; S500-T503 PolarHBondContact O-N 2.7Å; S500-Q504 PolarHBondContact O-N 2.86Å |
| 501 | T | 45.7 | Very low | 47.4 | Very low | 73 Ų | 73 | 96.8 Ų | 96.8 | 45% | 0.448 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.5 | -39.7 | 174.9 | 54.8 | 0 | 0 | 0 | 0 | 112.3 | F497 N498 S499 T503 Q504 V505 | F497-T501 PolarHBondContact O-N 2.87Å; F497-T501 PolarHBondContact O-OG1 3.28Å; N498-T501 WeakPolarHBondContact CA-OG1 3.17Å; N498-T501 PolarHBondContact O-OG1 3.14Å; S499-T501 PolarHBondContact O-N 3.19Å; T501-T503 VanDerWaalsContact C-N 3.26Å; T501-T503 PolarHBondContact O-N 3.37Å; T501-Q504 PolarHBondContact O-N 3.18Å; T501-V505 WeakPolarHBondContact O-CG2 3.35Å; T501-V505 PolarHBondContact O-N 3.09Å |
| 502 | K | 42.8 | Very low | 46.8 | Very low | 152 Ų | 152 | 95.4 Ų | 95.4 | 66% | 0.661 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.2 | -36.2 | 173.8 | -79.4 | 172.8 | -178.2 | 178.4 | 0 | 112.3 | N498 S499 A506 | N498-K502 WeakPolarHBondContact O-CB 3.29Å; N498-K502 WeakPolarHBondContact O-CD 3.39Å; N498-K502 WeakPolarHBondContact O-CG 3.36Å; N498-K502 PolarHBondContact O-N 3.49Å; S499-K502 PolarHBondContact O-N 3.37Å; K502-A506 VanDerWaalsContact O-CB 3.26Å; K502-A506 WeakPolarHBondContact O-CB 3.25Å; K502-A506 PolarHBondContact O-N 2.91Å |
| 503 | T | 44.2 | Very low | 46.3 | Very low | 82 Ų | 82 | 97.2 Ų | 97.2 | 50% | 0.503 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66 | -42.5 | 177.6 | -52.3 | 0 | 0 | 0 | 0 | 112.9 | S499 S500 T501 Q507 | S499-T503 PolarHBondContact O-N 3.47Å; S499-T503 VanDerWaalsContact O-N 3.11Å; S499-T503 PolarHBondContact O-OG1 3.12Å; S500-T503 PolarHBondContact O-N 2.7Å; T501-T503 VanDerWaalsContact C-N 3.26Å; T501-T503 PolarHBondContact O-N 3.37Å; T503-Q507 WeakPolarHBondContact O-CG 3.41Å; T503-Q507 PolarHBondContact O-N 2.93Å |
| 504 | Q | 43.3 | Very low | 45.9 | Very low | 145 Ų | 145 | 97.4 Ų | 97.4 | 68% | 0.678 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -73.2 | -33.1 | 176.6 | -71.6 | -168 | -13.4 | 0 | 0 | 113.3 | S500 T501 Q507 S508 | S500-Q504 PolarHBondContact O-N 2.86Å; T501-Q504 PolarHBondContact O-N 3.18Å; Q504-Q507 PolarHBondContact O-N 2.95Å; Q504-S508 PolarHBondContact O-N 3.26Å; Q504-S508 PolarHBondContact O-OG 2.94Å |
| 505 | V | 41.7 | Very low | 45.3 | Very low | 78 Ų | 78 | 104 Ų | 104 | 47% | 0.473 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.3 | -42.2 | 174.9 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | T501 Q507 S508 I509 | T501-V505 WeakPolarHBondContact O-CG2 3.35Å; T501-V505 PolarHBondContact O-N 3.09Å; V505-Q507 VanDerWaalsContact C-N 3.28Å; V505-Q507 PolarHBondContact O-N 2.9Å; V505-S508 WeakPolarHBondContact CA-OG 3.41Å; V505-S508 PolarHBondContact O-N 3.3Å; V505-S508 VanDerWaalsContact O-N 3.15Å; V505-S508 PolarHBondContact O-OG 3.4Å; V505-S508 VanDerWaalsContact O-OG 3.13Å; V505-I509 HydrophobicContact CG1-CD1 3.61Å; V505-I509 HydrophobicContact CG1-CG1 4.3Å; V505-I509 WeakPolarHBondContact O-CG1 3.23Å; V505-I509 PolarHBondContact O-N 3.4Å |
| 506 | A | 40.3 | Very low | 44.7 | Very low | 50 Ų | 50 | 108.1 Ų | 108.1 | 41% | 0.413 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62 | -34.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K502 S508 N510 | K502-A506 VanDerWaalsContact O-CB 3.26Å; K502-A506 WeakPolarHBondContact O-CB 3.25Å; K502-A506 PolarHBondContact O-N 2.91Å; A506-S508 VanDerWaalsContact C-N 3.34Å; A506-N510 PolarHBondContact O-ND2 3.36Å |
| 507 | Q | 44.1 | Very low | 44.2 | Very low | 144 Ų | 144 | 110.2 Ų | 110.2 | 67% | 0.673 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -77.4 | -14.7 | 177.3 | -73 | -178.7 | -6.2 | 0 | 0 | 114.2 | T503 Q504 V505 | T503-Q507 WeakPolarHBondContact O-CG 3.41Å; T503-Q507 PolarHBondContact O-N 2.93Å; Q504-Q507 PolarHBondContact O-N 2.95Å; V505-Q507 VanDerWaalsContact C-N 3.28Å; V505-Q507 PolarHBondContact O-N 2.9Å |
| 508 | S | 42.8 | Very low | 44 | Very low | 70 Ų | 70 | 110 Ų | 110 | 49% | 0.49 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -100.1 | -27.4 | 178 | 40.4 | 0 | 0 | 0 | 0 | 113.5 | Q504 V505 A506 S511 | Q504-S508 PolarHBondContact O-N 3.26Å; Q504-S508 PolarHBondContact O-OG 2.94Å; V505-S508 WeakPolarHBondContact CA-OG 3.41Å; V505-S508 PolarHBondContact O-N 3.3Å; V505-S508 VanDerWaalsContact O-N 3.15Å; V505-S508 PolarHBondContact O-OG 3.4Å; V505-S508 VanDerWaalsContact O-OG 3.13Å; A506-S508 VanDerWaalsContact C-N 3.34Å; S508-S511 PolarHBondContact O-OG 3.27Å |
| 509 | I | 45.9 | Very low | 43.7 | Very low | 91 Ų | 91 | 111.1 Ų | 111.1 | 47% | 0.467 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -70.9 | -42 | 173.6 | -66 | 170.1 | 0 | 0 | 0 | 111.3 | V505 S511 A512 | V505-I509 HydrophobicContact CG1-CD1 3.61Å; V505-I509 HydrophobicContact CG1-CG1 4.3Å; V505-I509 WeakPolarHBondContact O-CG1 3.23Å; V505-I509 PolarHBondContact O-N 3.4Å; I509-S511 PolarHBondContact O-N 3.47Å; I509-A512 PolarHBondContact O-N 3.31Å |
| 510 | N | 44.2 | Very low | 43.5 | Very low | 145 Ų | 145 | 113.8 Ų | 113.8 | 78% | 0.775 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 7.4 | 178.7 | -69.9 | -7.3 | 0 | 0 | 0 | 115.1 | A506 | A506-N510 PolarHBondContact O-ND2 3.36Š|
| 511 | S | 44.6 | Very low | 43.4 | Very low | 94 Ų | 94 | 116.2 Ų | 116.2 | 66% | 0.657 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.3 | 7.5 | 175.4 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | S508 I509 | S508-S511 PolarHBondContact O-OG 3.27Å; I509-S511 PolarHBondContact O-N 3.47Å |
| 512 | A | 44 | Very low | 43.2 | Very low | 71 Ų | 71 | 119.1 Ų | 119.1 | 59% | 0.587 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -38.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | I509 A514 | I509-A512 PolarHBondContact O-N 3.31Å; A512-A514 VanDerWaalsContact C-N 3.26Å; A512-A514 PolarHBondContact O-N 3.49Å |
| 513 | D | 44.2 | Very low | 43.3 | Very low | 148 Ų | 148 | 116.7 Ų | 116.7 | 79% | 0.791 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -87.5 | 43.7 | -171.8 | -61.2 | -45.5 | 0 | 0 | 0 | 113.8 | ||
| 514 | A | 44.8 | Very low | 43.2 | Very low | 84 Ų | 84 | 119.4 Ų | 119.4 | 69% | 0.694 | 68% | 0.682 | S | S | * | * | trans | -134.8 | 39.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A512 | A512-A514 VanDerWaalsContact C-N 3.26Å; A512-A514 PolarHBondContact O-N 3.49Å | ||
| 515 | H | 42.4 | Very low | 43.2 | Very low | 192 Ų | 192 | 117.3 Ų | 117.3 | 89% | 0.889 | 68% | 0.683 | S | S | * | * | trans | -151.9 | 91.5 | 171.2 | -104.7 | -51.2 | 0 | 0 | 0 | 112.7 | ||||
| 516 | D | 39.7 | Very low | 43.3 | Very low | 240 Ų | 240 | 120.8 Ų | 120.8 | 100% | 1.283 | 70% | 0.702 | S | S | * | * | trans | -141.7 | 0 | 153.3 | -154.4 | 30.9 | 0 | 0 | 0 | 106.9 |
Retrieved 516 of 516 residues in 67 ms
(Link to these results)