| 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 | 45.7 | Very low | 44.7 | Very low | 203 Ų | 203 | 113.8 Ų | 113.8 | 100% | 1 | 60% | 0.6 | S | S | * | * | 0 | -46.9 | 0 | -83.2 | -165.3 | -71.8 | 0 | 0 | 113.1 | A3 A4 Q5 | M1-A3 PolarHBondContact O-N 3.27Å; M1-A4 PolarHBondContact O-N 2.78Å; M1-Q5 PolarHBondContact O-N 3.07Å; M1-Q5 VanDerWaalsContact O-N 3.13Å | |||
| 2 | I | 47.3 | Very low | 45.1 | Very low | 130 Ų | 130 | 111.6 Ų | 111.6 | 67% | 0.667 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.7 | -39.4 | 179.4 | -63.5 | 170.6 | 0 | 0 | 0 | 112.9 | A4 Q5 L6 | I2-A4 VanDerWaalsContact C-N 3.34Å; I2-A4 PolarHBondContact O-N 2.94Å; I2-Q5 PolarHBondContact O-N 2.6Å; I2-L6 HydrophobicContact CG2-CD1 3.89Å; I2-L6 WeakPolarHBondContact O-CB 3.43Å; I2-L6 PolarHBondContact O-N 3.31Å |
| 3 | A | 44.8 | Very low | 45.2 | Very low | 69 Ų | 69 | 110.9 Ų | 110.9 | 57% | 0.57 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65 | -33 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1 L7 | M1-A3 PolarHBondContact O-N 3.27Å; A3-L7 WeakPolarHBondContact O-CB 3.18Å; A3-L7 PolarHBondContact O-N 3.04Å |
| 4 | A | 45.4 | Very low | 45.4 | Very low | 67 Ų | 67 | 109 Ų | 109 | 55% | 0.554 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -75.9 | -33.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1 I2 A8 | M1-A4 PolarHBondContact O-N 2.78Å; I2-A4 VanDerWaalsContact C-N 3.34Å; I2-A4 PolarHBondContact O-N 2.94Å; A4-A8 VanDerWaalsContact O-CB 3.3Å; A4-A8 WeakPolarHBondContact O-CB 3.37Å; A4-A8 PolarHBondContact O-N 3.03Å |
| 5 | Q | 42.9 | Very low | 45.7 | Very low | 139 Ų | 139 | 110.9 Ų | 110.9 | 65% | 0.65 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.9 | -36.5 | 172.6 | -80.5 | 175.8 | -37.8 | 0 | 0 | 112.5 | M1 I2 A8 Y9 | M1-Q5 PolarHBondContact O-N 3.07Å; M1-Q5 VanDerWaalsContact O-N 3.13Å; I2-Q5 PolarHBondContact O-N 2.6Å; Q5-A8 PolarHBondContact O-N 3.17Å; Q5-Y9 VanDerWaalsContact O-CB 3.26Å; Q5-Y9 WeakPolarHBondContact O-CB 3.35Å; Q5-Y9 PolarHBondContact O-N 3Å |
| 6 | L | 43.7 | Very low | 46.4 | Very low | 99 Ų | 99 | 109.4 Ų | 109.4 | 52% | 0.518 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.1 | -41.4 | 173.3 | -91.9 | 157 | 0 | 0 | 0 | 112.3 | I2 Y9 F10 | I2-L6 HydrophobicContact CG2-CD1 3.89Å; I2-L6 WeakPolarHBondContact O-CB 3.43Å; I2-L6 PolarHBondContact O-N 3.31Å; L6-Y9 PolarHBondContact O-N 2.6Å; L6-F10 WeakPolarHBondContact O-CB 3.34Å; L6-F10 PolarHBondContact O-N 3.07Å |
| 7 | L | 45.9 | Very low | 47.6 | Very low | 101 Ų | 101 | 107.3 Ų | 107.3 | 53% | 0.529 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.6 | -44.6 | 172.1 | -91.6 | 151.8 | 0 | 0 | 0 | 111.5 | A3 Y9 F10 F11 | A3-L7 WeakPolarHBondContact O-CB 3.18Å; A3-L7 PolarHBondContact O-N 3.04Å; L7-Y9 VanDerWaalsContact C-N 3.32Å; L7-Y9 PolarHBondContact O-N 2.72Å; L7-F10 PolarHBondContact O-N 3Å; L7-F11 HydrophobicContact CD2-CD2 4.12Å; L7-F11 HydrophobicContact CD2-CE2 3.68Å; L7-F11 WeakPolarHBondContact O-CB 3.07Å; L7-F11 WeakPolarHBondContact O-CD2 3.26Å; L7-F11 PolarHBondContact O-N 3.47Å |
| 8 | A | 46.8 | Very low | 48.9 | Very low | 59 Ų | 59 | 105.6 Ų | 105.6 | 49% | 0.488 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A4 Q5 T12 | A4-A8 VanDerWaalsContact O-CB 3.3Å; A4-A8 WeakPolarHBondContact O-CB 3.37Å; A4-A8 PolarHBondContact O-N 3.03Å; Q5-A8 PolarHBondContact O-N 3.17Å; A8-T12 WeakPolarHBondContact O-CB 3.45Å; A8-T12 PolarHBondContact O-N 3.39Å; A8-T12 PolarHBondContact O-OG1 3.32Å |
| 9 | Y | 43.3 | Very low | 50.4 | Low | 141 Ų | 141 | 101.7 Ų | 101.7 | 55% | 0.553 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.3 | -45 | 174.9 | -168.7 | -89.5 | 0 | 0 | 0 | 111.9 | Q5 L6 L7 T12 E13 | Q5-Y9 VanDerWaalsContact O-CB 3.26Å; Q5-Y9 WeakPolarHBondContact O-CB 3.35Å; Q5-Y9 PolarHBondContact O-N 3Å; L6-Y9 PolarHBondContact O-N 2.6Å; L7-Y9 VanDerWaalsContact C-N 3.32Å; L7-Y9 PolarHBondContact O-N 2.72Å; Y9-T12 VanDerWaalsContact CA-OG1 3.23Å; Y9-T12 WeakPolarHBondContact CA-OG1 3.33Å; Y9-T12 PolarHBondContact O-N 3.26Å; Y9-T12 PolarHBondContact O-OG1 3.15Å; Y9-E13 HydrophobicContact CE1-CG 4.35Å; Y9-E13 PolarHBondContact O-N 2.96Å |
| 10 | F | 41.7 | Very low | 52.1 | Low | 122 Ų | 122 | 102.6 Ų | 102.6 | 54% | 0.535 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 175.6 | -118.6 | -93 | 0 | 0 | 0 | 112.2 | L6 L7 T12 E13 L14 | L6-F10 WeakPolarHBondContact O-CB 3.34Å; L6-F10 PolarHBondContact O-N 3.07Å; L7-F10 PolarHBondContact O-N 3Å; F10-T12 VanDerWaalsContact C-N 3.3Å; F10-T12 PolarHBondContact O-N 3.32Å; F10-E13 PolarHBondContact O-N 3.28Å; F10-L14 HydrophobicContact CD1-CD1 3.95Å; F10-L14 WeakPolarHBondContact O-CB 3.3Å; F10-L14 PolarHBondContact O-N 2.91Å |
| 11 | F | 44.3 | Very low | 53.9 | Low | 122 Ų | 122 | 102.7 Ų | 102.7 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.3 | -26 | 176 | -85.8 | -70.3 | 0 | 0 | 0 | 112.9 | L7 K15 | L7-F11 HydrophobicContact CD2-CD2 4.12Å; L7-F11 HydrophobicContact CD2-CE2 3.68Å; L7-F11 WeakPolarHBondContact O-CB 3.07Å; L7-F11 WeakPolarHBondContact O-CD2 3.26Å; L7-F11 PolarHBondContact O-N 3.47Å; F11-K15 WeakPolarHBondContact O-CB 3.26Å; F11-K15 VanDerWaalsContact O-CG 3.29Å; F11-K15 WeakPolarHBondContact O-CG 3.44Å; F11-K15 PolarHBondContact O-N 3Å |
| 12 | T | 49.3 | Very low | 56.1 | Low | 87 Ų | 87 | 93.3 Ų | 93.3 | 53% | 0.534 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -76.6 | -43.2 | 171.4 | 30 | 0 | 0 | 0 | 0 | 111.5 | A8 Y9 F10 K15 D16 | A8-T12 WeakPolarHBondContact O-CB 3.45Å; A8-T12 PolarHBondContact O-N 3.39Å; A8-T12 PolarHBondContact O-OG1 3.32Å; Y9-T12 VanDerWaalsContact CA-OG1 3.23Å; Y9-T12 WeakPolarHBondContact CA-OG1 3.33Å; Y9-T12 PolarHBondContact O-N 3.26Å; Y9-T12 PolarHBondContact O-OG1 3.15Å; F10-T12 VanDerWaalsContact C-N 3.3Å; F10-T12 PolarHBondContact O-N 3.32Å; T12-K15 PolarHBondContact O-N 2.89Å; T12-D16 WeakPolarHBondContact O-CB 3.42Å; T12-D16 PolarHBondContact O-N 2.95Å |
| 13 | E | 46.4 | Very low | 58.2 | Low | 103 Ų | 103 | 89 Ų | 89 | 48% | 0.481 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 175.2 | -113.6 | 179.4 | 175.6 | 0 | 0 | 113 | Y9 F10 D16 D17 | Y9-E13 HydrophobicContact CE1-CG 4.35Å; Y9-E13 PolarHBondContact O-N 2.96Å; F10-E13 PolarHBondContact O-N 3.28Å; E13-D16 PolarHBondContact O-N 2.98Å; E13-D17 WeakPolarHBondContact O-CB 3.4Å; E13-D17 PolarHBondContact O-N 3.2Å |
| 14 | L | 48.5 | Very low | 60.5 | Low | 84 Ų | 84 | 94.1 Ų | 94.1 | 44% | 0.44 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.8 | -39 | 176.7 | -86.8 | 153.8 | 0 | 0 | 0 | 112.9 | F10 D17 K18 | F10-L14 HydrophobicContact CD1-CD1 3.95Å; F10-L14 WeakPolarHBondContact O-CB 3.3Å; F10-L14 PolarHBondContact O-N 2.91Å; L14-D17 PolarHBondContact O-N 3.41Å; L14-K18 PolarHBondContact O-N 3.18Å |
| 15 | K | 49.4 | Very low | 62.8 | Low | 138 Ų | 138 | 94.1 Ų | 94.1 | 60% | 0.6 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -67.4 | -38 | 173.4 | -80.6 | -177.4 | 176.4 | -178.4 | 0 | 111.9 | F11 T12 D17 A19 | F11-K15 WeakPolarHBondContact O-CB 3.26Å; F11-K15 VanDerWaalsContact O-CG 3.29Å; F11-K15 WeakPolarHBondContact O-CG 3.44Å; F11-K15 PolarHBondContact O-N 3Å; T12-K15 PolarHBondContact O-N 2.89Å; K15-D17 VanDerWaalsContact C-N 3.35Å; K15-A19 PolarHBondContact O-N 3.49Å |
| 16 | D | 56.8 | Low | 65.4 | Low | 87 Ų | 87 | 87.6 Ų | 87.6 | 47% | 0.465 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.7 | -35.2 | 176.2 | -126.8 | 32 | 0 | 0 | 0 | 112 | T12 E13 K20 | T12-D16 WeakPolarHBondContact O-CB 3.42Å; T12-D16 PolarHBondContact O-N 2.95Å; E13-D16 PolarHBondContact O-N 2.98Å; D16-K20 WeakPolarHBondContact O-CB 3.29Å; D16-K20 WeakPolarHBondContact O-CD 3.46Å; D16-K20 WeakPolarHBondContact O-CG 3.27Å; D16-K20 PolarHBondContact O-N 3.19Å; D16-K20 VanDerWaalsContact O-N 3.14Å; D16-K20 WeakPolarHBondContact OD2-CE 3.23Å; D16-K20 IonicContact OD2-NZ 3.85Å; D16-K20 PolarHBondContact OD2-NZ 3.38Å |
| 17 | D | 67.8 | Low | 67.9 | Low | 73 Ų | 73 | 91.3 Ų | 91.3 | 39% | 0.39 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.3 | -43.1 | 179.4 | -173.2 | 42.6 | 0 | 0 | 0 | 112.7 | E13 L14 K15 K21 | E13-D17 WeakPolarHBondContact O-CB 3.4Å; E13-D17 PolarHBondContact O-N 3.2Å; L14-D17 PolarHBondContact O-N 3.41Å; K15-D17 VanDerWaalsContact C-N 3.35Å; D17-K21 VanDerWaalsContact O-CG 3.3Å; D17-K21 WeakPolarHBondContact O-CG 3.45Å; D17-K21 PolarHBondContact O-N 3.01Å; D17-K21 IonicContact OD1-NZ 3.29Å; D17-K21 VanDerWaalsContact OD2-CE 3.28Å; D17-K21 WeakPolarHBondContact OD2-CE 3.17Å; D17-K21 IonicContact OD2-NZ 3.51Å; D17-K21 PolarHBondContact OD2-NZ 2.89Å |
| 18 | K | 70.3 | Confident | 70.2 | Confident | 77 Ų | 77 | 89.4 Ų | 89.4 | 34% | 0.335 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -70.4 | -40.3 | 176.3 | -80.2 | -164.3 | 175.9 | -172.2 | 0 | 113.2 | L14 K20 K21 I22 E372 | L14-K18 PolarHBondContact O-N 3.18Å; K18-K20 VanDerWaalsContact C-N 3.32Å; K18-K20 PolarHBondContact O-N 3.27Å; K18-K21 WeakPolarHBondContact O-CB 3.38Å; K18-K21 PolarHBondContact O-N 3.2Å; K18-I22 WeakPolarHBondContact O-CG1 3.4Å; K18-I22 PolarHBondContact O-N 3.37Å; K18-E372 HydrophobicContact CD-CB 4.36Å; K18-E372 VanDerWaalsContact CE-OE2 3.29Å; K18-E372 WeakPolarHBondContact CE-OE2 3.36Å; K18-E372 IonicContact NZ-OE2 2.7Å; K18-E372 PolarHBondContact NZ-OE2 3.18Å |
| 19 | A | 77.7 | Confident | 72.6 | Confident | 31 Ų | 31 | 86.8 Ų | 86.8 | 26% | 0.256 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K15 K21 I22 D23 | K15-A19 PolarHBondContact O-N 3.49Å; A19-K21 PolarHBondContact O-N 3.38Å; A19-I22 PolarHBondContact O-N 2.9Å; A19-D23 WeakPolarHBondContact O-CB 3.37Å; A19-D23 PolarHBondContact O-N 3.23Å |
| 20 | K | 84.8 | Confident | 75.1 | Confident | 119 Ų | 119 | 85.6 Ų | 85.6 | 52% | 0.517 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 173.8 | -73.8 | 168.6 | -168.6 | 160.6 | 0 | 112.6 | D16 K18 D23 K24 | D16-K20 WeakPolarHBondContact O-CB 3.29Å; D16-K20 WeakPolarHBondContact O-CD 3.46Å; D16-K20 WeakPolarHBondContact O-CG 3.27Å; D16-K20 PolarHBondContact O-N 3.19Å; D16-K20 VanDerWaalsContact O-N 3.14Å; D16-K20 WeakPolarHBondContact OD2-CE 3.23Å; D16-K20 IonicContact OD2-NZ 3.85Å; D16-K20 PolarHBondContact OD2-NZ 3.38Å; K18-K20 VanDerWaalsContact C-N 3.32Å; K18-K20 PolarHBondContact O-N 3.27Å; K20-D23 PolarHBondContact O-N 3.13Å; K20-K24 WeakPolarHBondContact O-CB 3.44Å; K20-K24 PolarHBondContact O-N 3.01Å |
| 21 | K | 88.9 | Confident | 77.7 | Confident | 105 Ų | 105 | 81 Ų | 81 | 46% | 0.457 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 174.3 | -76.1 | 169.8 | -175.2 | 165.1 | 0 | 112.1 | D17 K18 A19 K24 Y25 | D17-K21 VanDerWaalsContact O-CG 3.3Å; D17-K21 WeakPolarHBondContact O-CG 3.45Å; D17-K21 PolarHBondContact O-N 3.01Å; D17-K21 IonicContact OD1-NZ 3.29Å; D17-K21 VanDerWaalsContact OD2-CE 3.28Å; D17-K21 WeakPolarHBondContact OD2-CE 3.17Å; D17-K21 IonicContact OD2-NZ 3.51Å; D17-K21 PolarHBondContact OD2-NZ 2.89Å; K18-K21 WeakPolarHBondContact O-CB 3.38Å; K18-K21 PolarHBondContact O-N 3.2Å; A19-K21 PolarHBondContact O-N 3.38Å; K21-K24 PolarHBondContact O-N 3.44Å; K21-Y25 WeakPolarHBondContact O-CB 3.19Å; K21-Y25 PolarHBondContact O-N 3.48Å |
| 22 | I | 92.2 | Very high | 80.3 | Confident | 7 Ų | 7 | 77.8 Ų | 77.8 | 4% | 0.036 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 176.3 | -62 | 167.2 | 0 | 0 | 0 | 110.6 | K18 A19 K24 Y25 L26 M319 A376 H379 V380 I383 | K18-I22 WeakPolarHBondContact O-CG1 3.4Å; K18-I22 PolarHBondContact O-N 3.37Å; A19-I22 PolarHBondContact O-N 2.9Å; I22-K24 VanDerWaalsContact C-N 3.29Å; I22-K24 PolarHBondContact O-N 2.98Å; I22-Y25 PolarHBondContact O-N 2.88Å; I22-Y25 VanDerWaalsContact O-N 3.16Å; I22-L26 HydrophobicContact CG2-CD1 4.06Å; I22-L26 PolarHBondContact O-N 3.29Å; I22-M319 HydrophobicContact CG1-CE 4.05Å; I22-A376 VanDerWaalsContact CD1-CA 3.45Å; I22-A376 HydrophobicContact CD1-CB 3.48Å; I22-A376 VanDerWaalsContact CD1-CB 3.48Å; I22-H379 HydrophobicContact CD1-CB 4.33Å; I22-V380 HydrophobicContact CG2-CG2 3.95Å; I22-I383 HydrophobicContact CG2-CD1 3.9Å |
| 23 | D | 91.4 | Very high | 82.6 | Confident | 38 Ų | 38 | 76.6 Ų | 76.6 | 20% | 0.203 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 175.1 | -80.6 | -7.9 | 0 | 0 | 0 | 112.3 | A19 K20 L26 Y27 R30 H379 | A19-D23 WeakPolarHBondContact O-CB 3.37Å; A19-D23 PolarHBondContact O-N 3.23Å; K20-D23 PolarHBondContact O-N 3.13Å; D23-L26 CarbonylContact O-C 3.55Å; D23-Y27 VanDerWaalsContact O-CA 3.23Å; D23-Y27 WeakPolarHBondContact O-CA 3.28Å; D23-Y27 PolarHBondContact O-N 3.23Å; D23-R30 IonicContact OD1-CZ 3.63Å; D23-R30 IonicContact OD1-NE 2.9Å; D23-R30 IonicContact OD1-NH1 3.26Å; D23-R30 PolarHBondContact OD1-NH1 3.42Å; D23-R30 IonicContact OD2-CZ 3.43Å; D23-R30 IonicContact OD2-NH1 3.14Å; D23-R30 PolarHBondContact OD2-NH1 3.44Å; D23-R30 IonicContact OD2-NH2 3.3Å; D23-H379 IonicContact OD1-CD2 3.89Å; D23-H379 IonicContact OD1-CE1 3.88Å; D23-H379 IonicContact OD1-NE2 3.29Å; D23-H379 PolarHBondContact OD1-NE2 2.88Å; D23-H379 IonicContact OD2-NE2 2.71Å |
| 24 | K | 92.6 | Very high | 85 | Confident | 177 Ų | 177 | 79.3 Ų | 79.3 | 77% | 0.77 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -68.5 | -41.1 | 173.8 | -171.2 | 176.9 | -179.7 | -179.8 | 0 | 111.7 | K20 K21 I22 Y27 | K20-K24 WeakPolarHBondContact O-CB 3.44Å; K20-K24 PolarHBondContact O-N 3.01Å; K21-K24 PolarHBondContact O-N 3.44Å; I22-K24 VanDerWaalsContact C-N 3.29Å; I22-K24 PolarHBondContact O-N 2.98Å; K24-Y27 WeakPolarHBondContact O-CB 3.39Å; K24-Y27 PolarHBondContact O-N 3.16Å |
| 25 | Y | 95.3 | Very high | 87.4 | Confident | 67 Ų | 67 | 77.3 Ų | 77.3 | 26% | 0.263 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 179.8 | -167.9 | -90.1 | 0 | 0 | 0 | 112.3 | K21 I22 F283 K318 M319 D322 M324 | K21-Y25 WeakPolarHBondContact O-CB 3.19Å; K21-Y25 PolarHBondContact O-N 3.48Å; I22-Y25 PolarHBondContact O-N 2.88Å; I22-Y25 VanDerWaalsContact O-N 3.16Å; Y25-F283 HydrophobicContact CE1-CZ 4.29Å; Y25-K318 WeakPolarHBondContact OH-CG 3.49Å; Y25-M319 HydrophobicContact CD1-CG 4.13Å; Y25-M319 HydrophobicContact CD1-SD 4.43Å; Y25-M319 HydrophobicContact CE1-CG 3.67Å; Y25-M319 HydrophobicContact CE1-SD 4.48Å; Y25-D322 PolarHBondContact OH-OD2 2.78Å; Y25-M324 HydrophobicContact CD2-CE 3.96Å; Y25-M324 HydrophobicContact CD2-SD 3.47Å; Y25-M324 WeakPolarHBondContact CD2-SD 3.36Å; Y25-M324 HydrophobicContact CE2-SD 3.52Å; Y25-M324 VanDerWaalsContact CE2-SD 3.52Å; Y25-M324 HydrophobicContact CG-CE 4.32Å; Y25-M324 HydrophobicContact CG-SD 4.24Å |
| 26 | L | 96.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.016 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 27 | 179.6 | -60.5 | 179.4 | 0 | 0 | 0 | 112.4 | I22 D23 A28 M29 F283 I315 V380 I383 | I22-L26 HydrophobicContact CG2-CD1 4.06Å; I22-L26 PolarHBondContact O-N 3.29Å; D23-L26 CarbonylContact O-C 3.55Å; L26-A28 PolarHBondContact O-N 3.45Å; L26-M29 HydrophobicContact CD2-SD 4.26Å; L26-M29 WeakPolarHBondContact O-CB 3.37Å; L26-M29 PolarHBondContact O-N 3.3Å; L26-F283 HydrophobicContact CD2-CE2 4.12Å; L26-I315 HydrophobicContact CD1-CG2 4.16Å; L26-I315 HydrophobicContact CD2-CD1 4.26Å; L26-I315 HydrophobicContact CD2-CG1 4.34Å; L26-I315 HydrophobicContact CD2-CG2 3.92Å; L26-V380 HydrophobicContact CD1-CB 4.38Å; L26-V380 HydrophobicContact CD1-CG1 4.14Å; L26-V380 HydrophobicContact CD1-CG2 4Å; L26-I383 HydrophobicContact CB-CD1 4.18Å; L26-I383 HydrophobicContact CB-CG2 4.2Å; L26-I383 HydrophobicContact CD1-CB 4.47Å; L26-I383 HydrophobicContact CD1-CD1 3.98Å; L26-I383 HydrophobicContact CD1-CG2 4.32Å |
| 27 | Y | 95.2 | Very high | 91.7 | Very high | 176 Ų | 176 | 70.5 Ų | 70.5 | 69% | 0.69 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -54.9 | -41.4 | -176.8 | 178.1 | -98.1 | 0 | 0 | 0 | 112.3 | D23 K24 M29 R30 | D23-Y27 VanDerWaalsContact O-CA 3.23Å; D23-Y27 WeakPolarHBondContact O-CA 3.28Å; D23-Y27 PolarHBondContact O-N 3.23Å; K24-Y27 WeakPolarHBondContact O-CB 3.39Å; K24-Y27 PolarHBondContact O-N 3.16Å; Y27-M29 PolarHBondContact O-N 2.96Å; Y27-M29 VanDerWaalsContact O-N 3.09Å; Y27-R30 PolarHBondContact O-N 3.06Å |
| 28 | A | 94.6 | Very high | 93.2 | Very high | 62 Ų | 62 | 69.9 Ų | 69.9 | 51% | 0.512 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -64.2 | -12.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L26 F31 T281 | L26-A28 PolarHBondContact O-N 3.45Å; A28-F31 VanDerWaalsContact O-CE1 3.24Å; A28-F31 WeakPolarHBondContact O-CE1 3.19Å; A28-T281 HydrophobicContact CB-CG2 3.96Å |
| 29 | M | 97.5 | Very high | 94.5 | Very high | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.02 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -95.8 | -2.9 | 174.3 | -65.6 | -168.5 | 174.3 | 0 | 0 | 113.2 | L26 Y27 T281 F283 I315 I383 V384 R387 | L26-M29 HydrophobicContact CD2-SD 4.26Å; L26-M29 WeakPolarHBondContact O-CB 3.37Å; L26-M29 PolarHBondContact O-N 3.3Å; Y27-M29 PolarHBondContact O-N 2.96Å; Y27-M29 VanDerWaalsContact O-N 3.09Å; M29-T281 HydrophobicContact CE-CG2 3.89Å; M29-T281 WeakPolarHBondContact CE-OG1 3.15Å; M29-T281 HydrophobicContact CG-CG2 3.9Å; M29-F283 HydrophobicContact CE-CB 4.05Å; M29-F283 HydrophobicContact CE-CD2 3.47Å; M29-F283 VanDerWaalsContact CE-CD2 3.47Å; M29-F283 HydrophobicContact CE-CE2 4.3Å; M29-F283 HydrophobicContact CE-CG 4.13Å; M29-I315 HydrophobicContact CE-CD1 3.92Å; M29-I315 HydrophobicContact CE-CG1 4.44Å; M29-I315 HydrophobicContact SD-CD1 3.84Å; M29-I383 HydrophobicContact CB-CG2 3.75Å; M29-V384 HydrophobicContact SD-CG2 4.24Å; M29-R387 WeakPolarHBondContact O-CB 3.43Å; M29-R387 WeakPolarHBondContact O-CG 3.44Å |
| 30 | R | 96.8 | Very high | 95.5 | Very high | 116 Ų | 116 | 64.8 Ų | 64.8 | 44% | 0.438 | 31% | 0.31 | S | S | . | . | trans | -106.4 | 88.3 | -176.6 | -64.3 | 180 | 60.4 | 101.8 | 0.5 | 110.3 | D23 Y27 I383 | D23-R30 IonicContact OD1-CZ 3.63Å; D23-R30 IonicContact OD1-NE 2.9Å; D23-R30 IonicContact OD1-NH1 3.26Å; D23-R30 PolarHBondContact OD1-NH1 3.42Å; D23-R30 IonicContact OD2-CZ 3.43Å; D23-R30 IonicContact OD2-NH1 3.14Å; D23-R30 PolarHBondContact OD2-NH1 3.44Å; D23-R30 IonicContact OD2-NH2 3.3Å; Y27-R30 PolarHBondContact O-N 3.06Å; R30-I383 HydrophobicContact CG-CG2 4.14Å | ||
| 31 | F | 96.4 | Very high | 96.1 | Very high | 24 Ų | 24 | 66 Ų | 66 | 11% | 0.105 | 32% | 0.315 | C | S | . | . | trans | -77 | 132.1 | -178.1 | -57 | -36 | 0 | 0 | 0 | 112.8 | A28 T35 L36 I39 L279 R387 L391 | A28-F31 VanDerWaalsContact O-CE1 3.24Å; A28-F31 WeakPolarHBondContact O-CE1 3.19Å; F31-T35 HydrophobicContact CB-CG2 4.2Å; F31-T35 HydrophobicContact CD1-CG2 3.92Å; F31-T35 HydrophobicContact CG-CG2 4.16Å; F31-L36 HydrophobicContact CB-CD2 3.76Å; F31-L36 HydrophobicContact CB-CG 4.07Å; F31-L36 HydrophobicContact CD2-CD2 4.1Å; F31-L36 HydrophobicContact CG-CD2 4.36Å; F31-I39 HydrophobicContact CD2-CD1 4.46Å; F31-L279 HydrophobicContact CE1-CD2 4.2Å; F31-L279 HydrophobicContact CZ-CB 4.35Å; F31-R387 HydrophobicContact CD2-CG 3.96Å; F31-R387 HydrophobicContact CE2-CG 3.49Å; F31-R387 VanDerWaalsContact CE2-CG 3.49Å; F31-R387 HydrophobicContact CZ-CG 4.14Å; F31-L391 HydrophobicContact CD2-CD2 3.98Å; F31-L391 HydrophobicContact CD2-CG 4.3Å; F31-L391 HydrophobicContact CE2-CD1 4.19Å; F31-L391 HydrophobicContact CE2-CD2 3.54Å; F31-L391 HydrophobicContact CE2-CG 3.86Å | ||
| 32 | S | 97.5 | Very high | 96.6 | Very high | 55 Ų | 55 | 64.1 Ų | 64.1 | 39% | 0.385 | 31% | 0.305 | S | S | . | . | trans | -76.8 | 165.1 | 169.5 | 69.8 | 0 | 0 | 0 | 0 | 110.6 | E34 T35 L36 | S32-E34 PolarHBondContact O-N 3.13Å; S32-E34 PolarHBondContact OG-N 3.34Å; S32-T35 PolarHBondContact O-N 3.27Å; S32-T35 PolarHBondContact OG-N 3.06Å; S32-T35 PolarHBondContact OG-OG1 3.22Å; S32-L36 WeakPolarHBondContact O-CG 3.4Å; S32-L36 PolarHBondContact O-N 3.36Å | ||
| 33 | D | 97.1 | Very high | 96.9 | Very high | 62 Ų | 62 | 63.8 Ų | 63.8 | 33% | 0.332 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.6 | -33 | 174.5 | -74.2 | -6.2 | 0 | 0 | 0 | 112 | L36 L37 R439 | D33-L36 PolarHBondContact O-N 2.87Å; D33-L37 WeakPolarHBondContact O-CB 3.43Å; D33-L37 VanDerWaalsContact O-CG 3.26Å; D33-L37 WeakPolarHBondContact O-CG 3.42Å; D33-L37 PolarHBondContact O-N 2.92Å; D33-R439 IonicContact OD1-CZ 3.71Å; D33-R439 VanDerWaalsContact OD1-CZ 3.25Å; D33-R439 IonicContact OD1-NE 3.43Å; D33-R439 PolarHBondContact OD1-NE 2.9Å; D33-R439 IonicContact OD1-NH2 4Å; D33-R439 PolarHBondContact OD1-NH2 3.38Å; D33-R439 WeakPolarHBondContact OD2-CD 3.48Å; D33-R439 IonicContact OD2-CZ 3.33Å; D33-R439 IonicContact OD2-NE 2.68Å; D33-R439 PolarHBondContact OD2-NE 2.77Å; D33-R439 IonicContact OD2-NH2 2.66Å |
| 34 | E | 97.9 | Very high | 97.2 | Very high | 160 Ų | 160 | 65.6 Ų | 65.6 | 75% | 0.748 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.1 | -46.9 | 174.6 | -65.5 | 176.4 | 177.1 | 0 | 0 | 111.6 | S32 L36 L37 D38 | S32-E34 PolarHBondContact O-N 3.13Å; S32-E34 PolarHBondContact OG-N 3.34Å; E34-L36 VanDerWaalsContact C-N 3.32Å; E34-L36 PolarHBondContact O-N 2.95Å; E34-L37 PolarHBondContact O-N 3.38Å; E34-D38 PolarHBondContact O-N 2.85Å |
| 35 | T | 98.2 | Very high | 97.4 | Very high | 42 Ų | 42 | 60.9 Ų | 60.9 | 26% | 0.258 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 174.8 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | F31 S32 D38 I39 L279 | F31-T35 HydrophobicContact CB-CG2 4.2Å; F31-T35 HydrophobicContact CD1-CG2 3.92Å; F31-T35 HydrophobicContact CG-CG2 4.16Å; S32-T35 PolarHBondContact O-N 3.27Å; S32-T35 PolarHBondContact OG-N 3.06Å; S32-T35 PolarHBondContact OG-OG1 3.22Å; T35-D38 PolarHBondContact O-N 2.77Å; T35-I39 HydrophobicContact CG2-CD1 4.14Å; T35-I39 VanDerWaalsContact O-CG1 3.28Å; T35-I39 WeakPolarHBondContact O-CG1 3.5Å; T35-I39 PolarHBondContact O-N 2.58Å; T35-L279 HydrophobicContact CG2-CD2 3.6Å |
| 36 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 179.1 | -64.2 | 177.5 | 0 | 0 | 0 | 112.4 | F31 S32 D33 E34 D38 I39 T40 N390 A394 T436 L440 | F31-L36 HydrophobicContact CB-CD2 3.76Å; F31-L36 HydrophobicContact CB-CG 4.07Å; F31-L36 HydrophobicContact CD2-CD2 4.1Å; F31-L36 HydrophobicContact CG-CD2 4.36Å; S32-L36 WeakPolarHBondContact O-CG 3.4Å; S32-L36 PolarHBondContact O-N 3.36Å; D33-L36 PolarHBondContact O-N 2.87Å; E34-L36 VanDerWaalsContact C-N 3.32Å; E34-L36 PolarHBondContact O-N 2.95Å; L36-D38 VanDerWaalsContact C-N 3.35Å; L36-I39 HydrophobicContact CD2-CD1 4.32Å; L36-I39 PolarHBondContact O-N 3.41Å; L36-T40 PolarHBondContact O-N 2.96Å; L36-T40 PolarHBondContact O-OG1 2.84Å; L36-T40 VanDerWaalsContact O-OG1 3.1Å; L36-N390 HydrophobicContact CD1-CB 3.86Å; L36-N390 HydrophobicContact CD2-CB 3.81Å; L36-N390 HydrophobicContact CG-CB 4.49Å; L36-A394 HydrophobicContact CB-CB 4.35Å; L36-A394 HydrophobicContact CD2-CB 4.29Å; L36-A394 WeakPolarHBondContact O-CB 3.48Å; L36-T436 HydrophobicContact CD1-CG2 3.8Å; L36-L440 HydrophobicContact CB-CD1 4.03Å; L36-L440 HydrophobicContact CB-CD2 3.96Å; L36-L440 HydrophobicContact CD1-CD1 4.44Å |
| 37 | L | 98.4 | Very high | 97.5 | Very high | 83 Ų | 83 | 58.1 Ų | 58.1 | 44% | 0.435 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 174.3 | -73.3 | 169.8 | 0 | 0 | 0 | 112 | D33 E34 T40 K41 L440 | D33-L37 WeakPolarHBondContact O-CB 3.43Å; D33-L37 VanDerWaalsContact O-CG 3.26Å; D33-L37 WeakPolarHBondContact O-CG 3.42Å; D33-L37 PolarHBondContact O-N 2.92Å; E34-L37 PolarHBondContact O-N 3.38Å; L37-T40 WeakPolarHBondContact O-CB 3.32Å; L37-T40 PolarHBondContact O-N 3.18Å; L37-K41 PolarHBondContact O-N 2.76Å; L37-L440 HydrophobicContact CD2-CD2 4.07Å; L37-L440 HydrophobicContact CG-CD2 4.06Å |
| 38 | D | 98.4 | Very high | 97.5 | Very high | 59 Ų | 59 | 53.6 Ų | 53.6 | 32% | 0.316 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 172.4 | -176.7 | 53.1 | 0 | 0 | 0 | 111.5 | E34 T35 L36 T40 K41 R42 | E34-D38 PolarHBondContact O-N 2.85Å; T35-D38 PolarHBondContact O-N 2.77Å; L36-D38 VanDerWaalsContact C-N 3.35Å; D38-T40 VanDerWaalsContact C-N 3.31Å; D38-T40 PolarHBondContact O-N 2.94Å; D38-K41 WeakPolarHBondContact O-CB 3.3Å; D38-K41 PolarHBondContact O-N 3.43Å; D38-R42 WeakPolarHBondContact O-CG 3.33Å; D38-R42 PolarHBondContact O-N 2.92Å; D38-R42 IonicContact OD1-NE 2.72Å; D38-R42 IonicContact OD2-CZ 3.93Å; D38-R42 IonicContact OD2-NE 3.56Å; D38-R42 PolarHBondContact OD2-NE 2.64Å; D38-R42 IonicContact OD2-NH2 2.72Å; D38-R42 PolarHBondContact OD2-NH2 3.5Å |
| 39 | I | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.1 | -44.6 | 173.8 | -66.1 | 167.3 | 0 | 0 | 0 | 110.8 | F31 T35 L36 K41 R42 F43 F270 L279 L391 A394 | F31-I39 HydrophobicContact CD2-CD1 4.46Å; T35-I39 HydrophobicContact CG2-CD1 4.14Å; T35-I39 VanDerWaalsContact O-CG1 3.28Å; T35-I39 WeakPolarHBondContact O-CG1 3.5Å; T35-I39 PolarHBondContact O-N 2.58Å; L36-I39 HydrophobicContact CD2-CD1 4.32Å; L36-I39 PolarHBondContact O-N 3.41Å; I39-K41 VanDerWaalsContact C-N 3.29Å; I39-K41 PolarHBondContact O-N 3.3Å; I39-R42 PolarHBondContact O-N 3.04Å; I39-F43 WeakPolarHBondContact O-CB 3.34Å; I39-F43 PolarHBondContact O-N 3.22Å; I39-F270 HydrophobicContact CG2-CE1 4.12Å; I39-L279 HydrophobicContact CD1-CD1 3.58Å; I39-L279 HydrophobicContact CG1-CD1 3.43Å; I39-L279 VanDerWaalsContact CG1-CD1 3.43Å; I39-L391 HydrophobicContact CD1-CD2 3.73Å; I39-A394 HydrophobicContact CB-CB 4.11Å; I39-A394 HydrophobicContact CG2-CB 3.84Å |
| 40 | T | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.5 | -43.6 | 174.5 | -67.1 | 0 | 0 | 0 | 0 | 111.3 | L36 L37 D38 F43 R44 A394 A397 | L36-T40 PolarHBondContact O-N 2.96Å; L36-T40 PolarHBondContact O-OG1 2.84Å; L36-T40 VanDerWaalsContact O-OG1 3.1Å; L37-T40 WeakPolarHBondContact O-CB 3.32Å; L37-T40 PolarHBondContact O-N 3.18Å; D38-T40 VanDerWaalsContact C-N 3.31Å; D38-T40 PolarHBondContact O-N 2.94Å; T40-F43 PolarHBondContact O-N 3Å; T40-R44 WeakPolarHBondContact O-CG 3.35Å; T40-R44 PolarHBondContact O-N 2.96Å; T40-A394 WeakPolarHBondContact OG1-CA 3.41Å; T40-A394 PolarHBondContact OG1-O 3.27Å; T40-A397 HydrophobicContact CG2-CB 4.03Å |
| 41 | K | 98.4 | Very high | 97.6 | Very high | 144 Ų | 144 | 48.9 Ų | 48.9 | 63% | 0.626 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -65 | -47.1 | 178.1 | -174.7 | -176.1 | 176.8 | -173.8 | 0 | 111.9 | L37 D38 I39 F43 R44 V45 | L37-K41 PolarHBondContact O-N 2.76Å; D38-K41 WeakPolarHBondContact O-CB 3.3Å; D38-K41 PolarHBondContact O-N 3.43Å; I39-K41 VanDerWaalsContact C-N 3.29Å; I39-K41 PolarHBondContact O-N 3.3Å; K41-F43 VanDerWaalsContact C-N 3.32Å; K41-F43 PolarHBondContact O-N 3.28Å; K41-R44 PolarHBondContact O-N 3.19Å; K41-V45 PolarHBondContact O-N 3.49Å; K41-V45 VanDerWaalsContact O-N 3.16Å |
| 42 | R | 98.4 | Very high | 97.5 | Very high | 66 Ų | 66 | 48.3 Ų | 48.3 | 25% | 0.249 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.8 | -44.8 | 176.2 | -65.6 | -176.6 | -162.1 | -168.1 | 10.3 | 111.1 | D38 I39 R44 V45 E46 F270 S275 D278 | D38-R42 WeakPolarHBondContact O-CG 3.33Å; D38-R42 PolarHBondContact O-N 2.92Å; D38-R42 IonicContact OD1-NE 2.72Å; D38-R42 IonicContact OD2-CZ 3.93Å; D38-R42 IonicContact OD2-NE 3.56Å; D38-R42 PolarHBondContact OD2-NE 2.64Å; D38-R42 IonicContact OD2-NH2 2.72Å; D38-R42 PolarHBondContact OD2-NH2 3.5Å; I39-R42 PolarHBondContact O-N 3.04Å; R42-R44 VanDerWaalsContact C-N 3.34Å; R42-R44 PolarHBondContact O-N 2.97Å; R42-V45 PolarHBondContact O-N 3.04Å; R42-E46 PolarHBondContact O-N 3.07Å; R42-E46 VanDerWaalsContact O-N 3.16Å; R42-F270 HydrophobicContact CB-CE2 4.45Å; R42-F270 HydrophobicContact CB-CZ 3.91Å; R42-S275 PolarHBondContact NH1-O 3.47Å; R42-D278 IonicContact CZ-OD1 3.55Å; R42-D278 IonicContact CZ-OD2 3.75Å; R42-D278 IonicContact NH1-OD1 3.56Å; R42-D278 PolarHBondContact NH1-OD1 3.07Å; R42-D278 IonicContact NH1-OD2 3.68Å; R42-D278 PolarHBondContact NH1-OD2 3.16Å; R42-D278 IonicContact NH2-OD1 2.83Å; R42-D278 IonicContact NH2-OD2 3.92Å; R42-D278 PolarHBondContact NH2-OD2 3.07Å |
| 43 | F | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 177.6 | -171.6 | -99.3 | 0 | 0 | 0 | 112.2 | I39 T40 K41 V45 E46 L47 L61 W267 F270 A395 I399 | I39-F43 WeakPolarHBondContact O-CB 3.34Å; I39-F43 PolarHBondContact O-N 3.22Å; T40-F43 PolarHBondContact O-N 3Å; K41-F43 VanDerWaalsContact C-N 3.32Å; K41-F43 PolarHBondContact O-N 3.28Å; F43-V45 VanDerWaalsContact C-N 3.35Å; F43-V45 PolarHBondContact O-N 2.94Å; F43-E46 PolarHBondContact O-N 2.94Å; F43-L47 HydrophobicContact CD1-CD1 3.96Å; F43-L47 HydrophobicContact CD1-CD2 4.42Å; F43-L47 HydrophobicContact CD1-CG 3.99Å; F43-L47 HydrophobicContact CE1-CD1 3.8Å; F43-L47 HydrophobicContact CE1-CD2 3.68Å; F43-L47 HydrophobicContact CE1-CG 3.74Å; F43-L47 HydrophobicContact CZ-CD2 4Å; F43-L47 HydrophobicContact CZ-CG 4.42Å; F43-L47 WeakPolarHBondContact O-CG 3.45Å; F43-L47 PolarHBondContact O-N 3.37Å; F43-L61 HydrophobicContact CD2-CD1 3.9Å; F43-L61 HydrophobicContact CE1-CD1 4.38Å; F43-L61 HydrophobicContact CE2-CD1 3.49Å; F43-L61 VanDerWaalsContact CE2-CD1 3.49Å; F43-L61 HydrophobicContact CE2-CD2 3.96Å; F43-L61 HydrophobicContact CE2-CG 4.35Å; F43-L61 HydrophobicContact CZ-CD1 3.75Å; F43-W267 HydrophobicContact CE2-CB 3.75Å; F43-W267 HydrophobicContact CE2-CE3 4.44Å; F43-W267 HydrophobicContact CZ-CB 3.94Å; F43-W267 AromaticContact CZ-CE3 3.93Å; F43-W267 HydrophobicContact CZ-CE3 3.93Å; F43-F270 HydrophobicContact CB-CE1 3.92Å; F43-F270 HydrophobicContact CB-CZ 3.94Å; F43-F270 AromaticContact CD2-CD1 3.6Å; F43-F270 HydrophobicContact CD2-CD1 3.6Å; F43-F270 HydrophobicContact CD2-CD2 4.37Å; F43-F270 AromaticContact CD2-CE1 3.75Å; F43-F270 HydrophobicContact CD2-CE1 3.75Å; F43-F270 AromaticContact CD2-CG 3.94Å; F43-F270 HydrophobicContact CD2-CG 3.94Å; F43-F270 HydrophobicContact CD2-CZ 4.23Å; F43-F270 HydrophobicContact CE2-CD1 4.3Å; F43-F270 HydrophobicContact CE2-CG 4.43Å; F43-F270 HydrophobicContact CG-CE1 4.34Å; F43-A395 HydrophobicContact CD1-CB 4.31Å; F43-A395 WeakPolarHBondContact CD1-O 3.26Å; F43-A395 HydrophobicContact CD2-CB 4.08Å; F43-A395 HydrophobicContact CE1-CB 4.25Å; F43-A395 WeakPolarHBondContact CE1-O 3.45Å; F43-A395 HydrophobicContact CE2-CB 4.02Å; F43-A395 HydrophobicContact CG-CB 4.22Å; F43-A395 HydrophobicContact CZ-CB 4.12Å; F43-I399 HydrophobicContact CE1-CD1 4.41Å; F43-I399 HydrophobicContact CE1-CG1 3.9Å |
| 44 | R | 97.7 | Very high | 96.9 | Very high | 75 Ų | 75 | 52.6 Ų | 52.6 | 28% | 0.283 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 177.2 | -75.8 | -177.8 | 60.8 | -166.4 | -8.2 | 113.3 | T40 K41 R42 E46 L47 T48 Q401 E405 | T40-R44 WeakPolarHBondContact O-CG 3.35Å; T40-R44 PolarHBondContact O-N 2.96Å; K41-R44 PolarHBondContact O-N 3.19Å; R42-R44 VanDerWaalsContact C-N 3.34Å; R42-R44 PolarHBondContact O-N 2.97Å; R44-E46 VanDerWaalsContact C-N 3.31Å; R44-L47 WeakPolarHBondContact O-CB 3.49Å; R44-L47 PolarHBondContact O-N 3.3Å; R44-T48 PolarHBondContact O-N 3.35Å; R44-T48 PolarHBondContact O-OG1 2.98Å; R44-Q401 VanDerWaalsContact CD-OE1 3.26Å; R44-E405 IonicContact CZ-OE1 3.5Å; R44-E405 VanDerWaalsContact CZ-OE1 3.23Å; R44-E405 IonicContact CZ-OE2 3.86Å; R44-E405 IonicContact NH1-OE1 3.49Å; R44-E405 PolarHBondContact NH1-OE1 3.23Å; R44-E405 IonicContact NH2-OE1 3.73Å; R44-E405 PolarHBondContact NH2-OE1 3.06Å; R44-E405 IonicContact NH2-OE2 3.79Å; R44-E405 PolarHBondContact NH2-OE2 3.44Å |
| 45 | V | 97 | Very high | 96.7 | Very high | 79 Ų | 79 | 46.7 Ų | 46.7 | 48% | 0.479 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.1 | -44.5 | 174 | 172.7 | 0 | 0 | 0 | 0 | 110.1 | K41 R42 F43 L47 T48 R49 | K41-V45 PolarHBondContact O-N 3.49Å; K41-V45 VanDerWaalsContact O-N 3.16Å; R42-V45 PolarHBondContact O-N 3.04Å; F43-V45 VanDerWaalsContact C-N 3.35Å; F43-V45 PolarHBondContact O-N 2.94Å; V45-L47 PolarHBondContact O-N 3.38Å; V45-T48 PolarHBondContact O-N 3.25Å; V45-R49 HydrophobicContact CG1-CG 4.45Å; V45-R49 WeakPolarHBondContact O-CG 3.44Å; V45-R49 PolarHBondContact O-N 2.93Å |
| 46 | E | 97.4 | Very high | 96.4 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.4 | -33.9 | 177.4 | -69.3 | -59.4 | 117.9 | 0 | 0 | 113.2 | R42 F43 R44 T48 R49 G50 S60 L61 F270 | R42-E46 PolarHBondContact O-N 3.07Å; R42-E46 VanDerWaalsContact O-N 3.16Å; F43-E46 PolarHBondContact O-N 2.94Å; R44-E46 VanDerWaalsContact C-N 3.31Å; E46-T48 VanDerWaalsContact C-N 3.34Å; E46-T48 PolarHBondContact O-N 2.96Å; E46-R49 PolarHBondContact O-N 3.3Å; E46-R49 WeakPolarHBondContact OE1-CD 3.47Å; E46-R49 IonicContact OE1-CZ 3.29Å; E46-R49 IonicContact OE1-NE 2.89Å; E46-R49 IonicContact OE1-NH1 3.27Å; E46-R49 PolarHBondContact OE1-NH1 3.14Å; E46-R49 IonicContact OE2-NH1 3.15Å; E46-G50 PolarHBondContact O-N 3.2Å; E46-S60 PolarHBondContact OE2-N 3.29Å; E46-S60 VanDerWaalsContact OE2-N 3.16Å; E46-S60 PolarHBondContact OE2-OG 3.19Å; E46-L61 HydrophobicContact CB-CB 4.31Å; E46-L61 HydrophobicContact CB-CD1 3.58Å; E46-L61 HydrophobicContact CB-CG 3.72Å; E46-F270 HydrophobicContact CG-CD2 4.09Å; E46-F270 HydrophobicContact CG-CE2 3.87Å |
| 47 | L | 96.9 | Very high | 96 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 173 | -70.9 | 176 | 0 | 0 | 0 | 110.5 | F43 R44 V45 G50 L51 L61 M63 Y244 T265 I399 R402 | F43-L47 HydrophobicContact CD1-CD1 3.96Å; F43-L47 HydrophobicContact CD1-CD2 4.42Å; F43-L47 HydrophobicContact CD1-CG 3.99Å; F43-L47 HydrophobicContact CE1-CD1 3.8Å; F43-L47 HydrophobicContact CE1-CD2 3.68Å; F43-L47 HydrophobicContact CE1-CG 3.74Å; F43-L47 HydrophobicContact CZ-CD2 4Å; F43-L47 HydrophobicContact CZ-CG 4.42Å; F43-L47 WeakPolarHBondContact O-CG 3.45Å; F43-L47 PolarHBondContact O-N 3.37Å; R44-L47 WeakPolarHBondContact O-CB 3.49Å; R44-L47 PolarHBondContact O-N 3.3Å; V45-L47 PolarHBondContact O-N 3.38Å; L47-G50 PolarHBondContact O-N 3.02Å; L47-L51 WeakPolarHBondContact O-CG 3.5Å; L47-L51 PolarHBondContact O-N 3.12Å; L47-L51 VanDerWaalsContact O-N 3.16Å; L47-L61 HydrophobicContact CD2-CD1 3.86Å; L47-L61 HydrophobicContact CG-CD1 4.17Å; L47-M63 HydrophobicContact CB-CE 4.19Å; L47-M63 HydrophobicContact CD2-CE 3.52Å; L47-M63 HydrophobicContact CD2-SD 3.5Å; L47-M63 VanDerWaalsContact CD2-SD 3.5Å; L47-M63 HydrophobicContact CG-CE 4.46Å; L47-Y244 HydrophobicContact CD2-CE1 4.39Å; L47-T265 HydrophobicContact CD2-CG2 4.07Å; L47-I399 HydrophobicContact CD1-CG1 4.4Å; L47-R402 HydrophobicContact CD1-CB 4.5Å |
| 48 | T | 95.9 | Very high | 95.7 | Very high | 80 Ų | 80 | 51.3 Ų | 51.3 | 49% | 0.491 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65 | -43.5 | 178.3 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | R44 V45 E46 G50 L51 G52 | R44-T48 PolarHBondContact O-N 3.35Å; R44-T48 PolarHBondContact O-OG1 2.98Å; V45-T48 PolarHBondContact O-N 3.25Å; E46-T48 VanDerWaalsContact C-N 3.34Å; E46-T48 PolarHBondContact O-N 2.96Å; T48-G50 VanDerWaalsContact C-N 3.31Å; T48-G50 PolarHBondContact O-N 3.36Å; T48-L51 PolarHBondContact O-N 2.93Å; T48-G52 PolarHBondContact O-N 2.98Å; T48-G52 VanDerWaalsContact O-N 3.13Å |
| 49 | R | 96.3 | Very high | 95.5 | Very high | 78 Ų | 78 | 48.5 Ų | 48.5 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 177.1 | -73.4 | 178.2 | 68.3 | -164.6 | 1.4 | 112.3 | V45 E46 L51 S55 N56 A59 D273 | V45-R49 HydrophobicContact CG1-CG 4.45Å; V45-R49 WeakPolarHBondContact O-CG 3.44Å; V45-R49 PolarHBondContact O-N 2.93Å; E46-R49 PolarHBondContact O-N 3.3Å; E46-R49 WeakPolarHBondContact OE1-CD 3.47Å; E46-R49 IonicContact OE1-CZ 3.29Å; E46-R49 IonicContact OE1-NE 2.89Å; E46-R49 IonicContact OE1-NH1 3.27Å; E46-R49 PolarHBondContact OE1-NH1 3.14Å; E46-R49 IonicContact OE2-NH1 3.15Å; R49-L51 VanDerWaalsContact C-N 3.34Å; R49-S55 WeakPolarHBondContact CA-OG 3.44Å; R49-S55 CarbonylContact O-C 3.51Å; R49-S55 WeakPolarHBondContact O-CB 3.27Å; R49-S55 PolarHBondContact O-OG 3Å; R49-N56 PolarHBondContact O-N 2.92Å; R49-A59 HydrophobicContact CB-CB 4.2Å; R49-D273 IonicContact NH1-OD2 3.69Å |
| 50 | G | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70 | -29.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E46 L47 T48 N56 L61 | E46-G50 PolarHBondContact O-N 3.2Å; L47-G50 PolarHBondContact O-N 3.02Å; T48-G50 VanDerWaalsContact C-N 3.31Å; T48-G50 PolarHBondContact O-N 3.36Å; G50-N56 PolarHBondContact O-ND2 2.82Å; G50-L61 WeakPolarHBondContact CA-O 3.25Å |
| 51 | L | 96.8 | Very high | 95 | Very high | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -79.7 | -27 | 176.9 | -72.6 | 171 | 0 | 0 | 0 | 113.7 | L47 T48 R49 M63 E246 H250 I251 D252 V263 | L47-L51 WeakPolarHBondContact O-CG 3.5Å; L47-L51 PolarHBondContact O-N 3.12Å; L47-L51 VanDerWaalsContact O-N 3.16Å; T48-L51 PolarHBondContact O-N 2.93Å; R49-L51 VanDerWaalsContact C-N 3.34Å; L51-M63 HydrophobicContact CD1-CE 3.94Å; L51-M63 HydrophobicContact CD2-CB 4.09Å; L51-M63 HydrophobicContact CD2-CE 3.94Å; L51-M63 HydrophobicContact CG-CB 4.25Å; L51-M63 HydrophobicContact CG-CE 3.67Å; L51-M63 HydrophobicContact CG-CG 4.37Å; L51-E246 HydrophobicContact CD1-CG 4.07Å; L51-E246 HydrophobicContact CD2-CG 4.35Å; L51-H250 WeakPolarHBondContact CB-O 3.41Å; L51-I251 HydrophobicContact CD2-CG1 4.12Å; L51-D252 PolarHBondContact O-N 3.43Å; L51-V263 HydrophobicContact CD2-CG1 4.3Å; L51-V263 HydrophobicContact CD2-CG2 4.26Å |
| 52 | G | 94.4 | Very high | 94.8 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 12% | 0.124 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -72.7 | 137 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T48 D54 S55 N56 D252 | T48-G52 PolarHBondContact O-N 2.98Å; T48-G52 VanDerWaalsContact O-N 3.13Å; G52-D54 PolarHBondContact O-N 2.73Å; G52-S55 PolarHBondContact O-N 3.33Å; G52-S55 PolarHBondContact O-OG 2.72Å; G52-N56 VanDerWaalsContact O-CB 3.29Å; G52-N56 WeakPolarHBondContact O-CB 3.23Å; G52-N56 PolarHBondContact O-N 2.73Å; G52-D252 WeakPolarHBondContact CA-OD2 3.46Å |
| 53 | G | 90.6 | Very high | 94.8 | Very high | 36 Ų | 36 | 42.1 Ų | 42.1 | 37% | 0.371 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -40.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D252 | G53-D252 VanDerWaalsContact N-CB 3.35Å; G53-D252 PolarHBondContact N-OD2 3.17Å |
| 54 | D | 90.9 | Very high | 94.8 | Very high | 172 Ų | 172 | 43 Ų | 43 | 92% | 0.92 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -26.3 | -179.2 | -64.4 | -33.2 | 0 | 0 | 0 | 113.3 | G52 | G52-D54 PolarHBondContact O-N 2.73Š|
| 55 | S | 93.6 | Very high | 94.7 | Very high | 35 Ų | 35 | 40.1 Ų | 40.1 | 25% | 0.245 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -22 | -172.4 | 51.6 | 0 | 0 | 0 | 0 | 114.2 | R49 G52 A57 T58 A59 | R49-S55 WeakPolarHBondContact CA-OG 3.44Å; R49-S55 CarbonylContact O-C 3.51Å; R49-S55 WeakPolarHBondContact O-CB 3.27Å; R49-S55 PolarHBondContact O-OG 3Å; G52-S55 PolarHBondContact O-N 3.33Å; G52-S55 PolarHBondContact O-OG 2.72Å; S55-A57 VanDerWaalsContact C-N 3.27Å; S55-A57 PolarHBondContact O-N 3.09Å; S55-T58 PolarHBondContact O-N 2.83Å; S55-T58 PolarHBondContact O-OG1 2.87Å; S55-A59 PolarHBondContact O-N 2.96Å |
| 56 | N | 93.6 | Very high | 94.7 | Very high | 35 Ų | 35 | 36.6 Ų | 36.6 | 19% | 0.187 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -55.1 | -39.9 | -174.5 | 176.1 | -92 | 0 | 0 | 0 | 113.1 | R49 G50 G52 T58 A59 K62 L253 | R49-N56 PolarHBondContact O-N 2.92Å; G50-N56 PolarHBondContact O-ND2 2.82Å; G52-N56 VanDerWaalsContact O-CB 3.29Å; G52-N56 WeakPolarHBondContact O-CB 3.23Å; G52-N56 PolarHBondContact O-N 2.73Å; N56-T58 PolarHBondContact O-N 2.81Å; N56-T58 VanDerWaalsContact O-N 3.07Å; N56-A59 PolarHBondContact O-N 2.88Å; N56-A59 VanDerWaalsContact O-N 3.1Å; N56-K62 PolarHBondContact ND2-O 3.37Å; N56-L253 HydrophobicContact CB-CD1 4.07Å; N56-L253 HydrophobicContact CB-CD2 4.36Å |
| 57 | A | 89.4 | Confident | 94.5 | Very high | 86 Ų | 86 | 38.3 Ų | 38.3 | 71% | 0.711 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -57.2 | -30 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S55 | S55-A57 VanDerWaalsContact C-N 3.27Å; S55-A57 PolarHBondContact O-N 3.09Å |
| 58 | T | 91.5 | Very high | 94.3 | Very high | 101 Ų | 101 | 38.5 Ų | 38.5 | 62% | 0.62 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -110.4 | -1 | -179.5 | 63.3 | 0 | 0 | 0 | 0 | 113.7 | S55 N56 | S55-T58 PolarHBondContact O-N 2.83Å; S55-T58 PolarHBondContact O-OG1 2.87Å; N56-T58 PolarHBondContact O-N 2.81Å; N56-T58 VanDerWaalsContact O-N 3.07Å |
| 59 | A | 93.9 | Very high | 94 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | trans | -68.6 | 142.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R49 S55 N56 L61 K62 | R49-A59 HydrophobicContact CB-CB 4.2Å; S55-A59 PolarHBondContact O-N 2.96Å; N56-A59 PolarHBondContact O-N 2.88Å; N56-A59 VanDerWaalsContact O-N 3.1Å; A59-L61 WeakPolarHBondContact CB-O 3.35Å; A59-K62 PolarHBondContact O-NZ 2.9Å | ||
| 60 | S | 91.8 | Very high | 93.4 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 6% | 0.056 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -71.9 | -42.5 | 173.3 | 66.4 | 0 | 0 | 0 | 0 | 110.7 | E46 | E46-S60 PolarHBondContact OE2-N 3.29Å; E46-S60 VanDerWaalsContact OE2-N 3.16Å; E46-S60 PolarHBondContact OE2-OG 3.19Å |
| 61 | L | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -81 | 120.2 | 169.5 | -61.9 | -173.5 | 0 | 0 | 0 | 110.5 | F43 E46 L47 G50 A59 M63 W267 F270 | F43-L61 HydrophobicContact CD2-CD1 3.9Å; F43-L61 HydrophobicContact CE1-CD1 4.38Å; F43-L61 HydrophobicContact CE2-CD1 3.49Å; F43-L61 VanDerWaalsContact CE2-CD1 3.49Å; F43-L61 HydrophobicContact CE2-CD2 3.96Å; F43-L61 HydrophobicContact CE2-CG 4.35Å; F43-L61 HydrophobicContact CZ-CD1 3.75Å; E46-L61 HydrophobicContact CB-CB 4.31Å; E46-L61 HydrophobicContact CB-CD1 3.58Å; E46-L61 HydrophobicContact CB-CG 3.72Å; L47-L61 HydrophobicContact CD2-CD1 3.86Å; L47-L61 HydrophobicContact CG-CD1 4.17Å; G50-L61 WeakPolarHBondContact CA-O 3.25Å; A59-L61 WeakPolarHBondContact CB-O 3.35Å; L61-M63 HydrophobicContact CB-CG 4.14Å; L61-M63 HydrophobicContact CB-SD 4.22Å; L61-W267 VanDerWaalsContact CD2-CA 3.5Å; L61-W267 HydrophobicContact CD2-CB 4.08Å; L61-F270 HydrophobicContact CD2-CB 3.99Å |
| 62 | K | 95 | Very high | 91.8 | Very high | 70 Ų | 70 | 39.3 Ų | 39.3 | 30% | 0.304 | 23% | 0.234 | S | C | . | . | trans | -79.3 | -23.6 | -174.6 | -62.1 | -52.8 | -177.7 | -165 | 0 | 114 | N56 A59 L64 T265 E266 | N56-K62 PolarHBondContact ND2-O 3.37Å; A59-K62 PolarHBondContact O-NZ 2.9Å; K62-L64 VanDerWaalsContact C-N 3.28Å; K62-L64 HydrophobicContact CB-CD1 4.28Å; K62-L64 HydrophobicContact CB-CD2 3.78Å; K62-L64 HydrophobicContact CB-CG 3.75Å; K62-L64 PolarHBondContact O-N 3.44Å; K62-T265 PolarHBondContact N-O 3.02Å; K62-E266 HydrophobicContact CB-CB 4.32Å | ||
| 63 | M | 97.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | 48.1 | 51.9 | 174.7 | -57.8 | -59.1 | -75.1 | 0 | 0 | 112.1 | L47 L51 L61 P65 Y244 V263 N264 T265 | L47-M63 HydrophobicContact CB-CE 4.19Å; L47-M63 HydrophobicContact CD2-CE 3.52Å; L47-M63 HydrophobicContact CD2-SD 3.5Å; L47-M63 VanDerWaalsContact CD2-SD 3.5Å; L47-M63 HydrophobicContact CG-CE 4.46Å; L51-M63 HydrophobicContact CD1-CE 3.94Å; L51-M63 HydrophobicContact CD2-CB 4.09Å; L51-M63 HydrophobicContact CD2-CE 3.94Å; L51-M63 HydrophobicContact CG-CB 4.25Å; L51-M63 HydrophobicContact CG-CE 3.67Å; L51-M63 HydrophobicContact CG-CG 4.37Å; L61-M63 HydrophobicContact CB-CG 4.14Å; L61-M63 HydrophobicContact CB-SD 4.22Å; M63-P65 WeakPolarHBondContact O-CD 3.44Å; M63-Y244 HydrophobicContact CE-CE1 3.89Å; M63-Y244 WeakPolarHBondContact CE-OH 3.22Å; M63-V263 VanDerWaalsContact C-CG1 3.41Å; M63-V263 HydrophobicContact CB-CG1 3.89Å; M63-V263 HydrophobicContact CE-CG1 3.87Å; M63-V263 HydrophobicContact SD-CG1 4.32Å; M63-N264 CarbonylContact C-O 3.45Å; M63-N264 WeakPolarHBondContact CA-O 3.49Å; M63-T265 HydrophobicContact SD-CG2 3.95Å | ||
| 64 | L | 97.7 | Very high | 88.5 | Confident | 17 Ų | 17 | 40.7 Ų | 40.7 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 124.5 | -169.6 | -60.4 | 172.5 | 0 | 0 | 0 | 110.7 | K62 T66 P163 I175 N264 E266 | K62-L64 VanDerWaalsContact C-N 3.28Å; K62-L64 HydrophobicContact CB-CD1 4.28Å; K62-L64 HydrophobicContact CB-CD2 3.78Å; K62-L64 HydrophobicContact CB-CG 3.75Å; K62-L64 PolarHBondContact O-N 3.44Å; L64-T66 PolarHBondContact O-N 3.03Å; L64-P163 HydrophobicContact CD1-CB 4.14Å; L64-I175 HydrophobicContact CD1-CD1 3.87Å; L64-I175 HydrophobicContact CD2-CD1 3.77Å; L64-I175 HydrophobicContact CG-CD1 4.5Å; L64-N264 HydrophobicContact CB-CB 4.33Å; L64-N264 PolarHBondContact N-O 3.22Å; L64-N264 PolarHBondContact O-N 3.22Å; L64-E266 HydrophobicContact CD1-CG 3.68Å; L64-E266 HydrophobicContact CG-CG 4.41Å |
| 65 | P | 97.3 | Very high | 86.1 | Confident | 16 Ų | 16 | 36 Ų | 36 | 10% | 0.104 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 134.5 | 170.3 | -22.6 | 33.9 | 0 | 0 | 0 | 111.2 | M63 F67 I251 L253 V254 M261 | M63-P65 WeakPolarHBondContact O-CD 3.44Å; P65-F67 HydrophobicContact CB-CE2 4.21Å; P65-I251 HydrophobicContact CG-CG2 4.2Å; P65-L253 HydrophobicContact CG-CB 4.48Å; P65-V254 HydrophobicContact CB-CG2 3.65Å; P65-V254 HydrophobicContact CG-CG2 3.62Å; P65-M261 HydrophobicContact CB-SD 3.83Å |
| 66 | T | 96.2 | Very high | 83.2 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | trans | -105 | -9.2 | -177.3 | 68 | 0 | 0 | 0 | 0 | 113.6 | L64 V68 L169 V217 C262 N264 | L64-T66 PolarHBondContact O-N 3.03Å; T66-V68 PolarHBondContact O-N 2.89Å; T66-V68 VanDerWaalsContact O-N 3.09Å; T66-V68 PolarHBondContact OG1-N 3.19Å; T66-L169 WeakPolarHBondContact O-CD2 3.17Å; T66-V217 HydrophobicContact CG2-CG2 3.7Å; T66-C262 WeakPolarHBondContact CB-O 3.28Å; T66-C262 VanDerWaalsContact CG2-O 3.28Å; T66-C262 WeakPolarHBondContact CG2-O 3.43Å; T66-C262 PolarHBondContact N-O 3.33Å; T66-C262 WeakPolarHBondContact OG1-CB 3.45Å; T66-C262 PolarHBondContact OG1-O 3.12Å; T66-N264 HydrophobicContact CG2-CB 3.87Å | ||
| 67 | F | 93.6 | Very high | 80.3 | Confident | 45 Ų | 45 | 45.6 Ų | 45.6 | 20% | 0.197 | 27% | 0.269 | C | S | . | . | trans | 60.8 | 7.4 | -172.2 | -64 | -93.6 | 0 | 0 | 0 | 115.3 | P65 Q166 K167 L169 M261 | P65-F67 HydrophobicContact CB-CE2 4.21Å; F67-Q166 HydrophobicContact CD2-CB 4Å; F67-Q166 HydrophobicContact CE2-CB 4.07Å; F67-Q166 WeakPolarHBondContact CE2-O 3.35Å; F67-K167 WeakPolarHBondContact CE1-O 3.49Å; F67-K167 VanDerWaalsContact CE2-C 3.43Å; F67-K167 WeakPolarHBondContact CZ-O 3.25Å; F67-L169 HydrophobicContact CB-CD2 3.9Å; F67-L169 HydrophobicContact CB-CG 3.89Å; F67-M261 HydrophobicContact CD1-CE 4.24Å; F67-M261 PolarHBondContact N-SD 3.19Å | ||
| 68 | V | 92.6 | Very high | 78.1 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | trans | -86.3 | 108.7 | 169.6 | -179.7 | 0 | 0 | 0 | 0 | 109 | T66 L169 V213 V217 M221 C262 V462 | T66-V68 PolarHBondContact O-N 2.89Å; T66-V68 VanDerWaalsContact O-N 3.09Å; T66-V68 PolarHBondContact OG1-N 3.19Å; V68-L169 HydrophobicContact CG2-CD2 3.89Å; V68-V213 HydrophobicContact CG2-CG1 4.47Å; V68-V217 HydrophobicContact CB-CG1 4.35Å; V68-V217 HydrophobicContact CG2-CG1 3.87Å; V68-M221 HydrophobicContact CG1-CE 3.9Å; V68-M221 HydrophobicContact CG1-CG 4.47Å; V68-M221 HydrophobicContact CG1-SD 3.76Å; V68-C262 HydrophobicContact CB-CB 4.16Å; V68-C262 PolarHBondContact O-N 3.35Å; V68-V462 HydrophobicContact CG1-CG2 4.3Å; V68-V462 HydrophobicContact CG2-CG1 3.91Å; V68-V462 HydrophobicContact CG2-CG2 3.97Å | ||
| 69 | R | 89.8 | Confident | 75.7 | Confident | 99 Ų | 99 | 51.3 Ų | 51.3 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | trans | -93.6 | -14.5 | -172 | -63.4 | -170.4 | -179 | -155.6 | 2 | 115.3 | M245 R260 M261 D819 | R69-M245 VanDerWaalsContact O-CE 3.29Å; R69-M245 WeakPolarHBondContact O-CE 3.48Å; R69-R260 CarbonylContact C-O 3.57Å; R69-R260 VanDerWaalsContact CA-O 3.26Å; R69-R260 WeakPolarHBondContact CA-O 3.29Å; R69-R260 WeakPolarHBondContact CB-O 3.41Å; R69-R260 VanDerWaalsContact O-O 3.06Å; R69-M261 HydrophobicContact CG-CE 4.29Å; R69-D819 IonicContact NH1-OD2 3.89Å | ||
| 70 | S | 83.7 | Confident | 73.3 | Confident | 61 Ų | 61 | 52 Ų | 52 | 43% | 0.427 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -151.8 | 160.3 | 177.1 | 62.7 | 0 | 0 | 0 | 0 | 111.3 | M221 | S70-M221 WeakPolarHBondContact O-CE 3.19Š|
| 71 | I | 83.7 | Confident | 71.5 | Confident | 18 Ų | 18 | 53.7 Ų | 53.7 | 9% | 0.092 | 28% | 0.282 | C | S | . | . | trans | -73 | 163 | 161.9 | 58.7 | 172.9 | 0 | 0 | 0 | 110.1 | D73 M220 M221 Q228 C230 | I71-D73 PolarHBondContact O-N 3.1Å; I71-M220 HydrophobicContact CG2-CE 4.35Å; I71-M221 HydrophobicContact CB-SD 4.42Å; I71-M221 HydrophobicContact CG2-SD 4.2Å; I71-Q228 WeakPolarHBondContact CD1-O 3.32Å; I71-C230 WeakPolarHBondContact CG2-O 3.34Å | ||
| 72 | P | 75 | Confident | 70.2 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | trans | -61.3 | 124.2 | 177.2 | -18.9 | 33.3 | 0 | 0 | 0 | 109.2 | E82 M221 F225 Q228 M461 | P72-E82 VanDerWaalsContact CA-OE1 3.32Å; P72-E82 WeakPolarHBondContact CA-OE1 3.23Å; P72-M221 VanDerWaalsContact CD-CE 3.49Å; P72-M221 HydrophobicContact CG-CE 3.79Å; P72-F225 HydrophobicContact CB-CB 4.49Å; P72-F225 HydrophobicContact CB-CD2 4.04Å; P72-F225 HydrophobicContact CG-CB 4.3Å; P72-F225 HydrophobicContact CG-CD2 4.49Å; P72-Q228 PolarHBondContact O-NE2 3.31Å; P72-Q228 PolarHBondContact O-OE1 3.26Å; P72-M461 HydrophobicContact CB-CB 4.42Å; P72-M461 HydrophobicContact CB-CG 4.37Å; P72-M461 HydrophobicContact CG-CB 3.75Å; P72-M461 HydrophobicContact CG-CG 3.82Å | ||
| 73 | D | 64.3 | Low | 69.4 | Low | 62 Ų | 62 | 56.4 Ų | 56.4 | 33% | 0.332 | 29% | 0.294 | S | S | . | . | trans | -84.2 | -22.1 | -166.8 | 68.6 | 24.3 | 0 | 0 | 0 | 113.3 | I71 T75 E82 | I71-D73 PolarHBondContact O-N 3.1Å; D73-T75 WeakPolarHBondContact O-CG2 3.28Å; D73-T75 PolarHBondContact O-N 3.39Å; D73-E82 PolarHBondContact N-OE1 2.72Å | ||
| 74 | G | 51.7 | Low | 68.9 | Low | 15 Ų | 15 | 57.9 Ų | 57.9 | 16% | 0.155 | 31% | 0.309 | C | S | . | . | trans | 50.9 | 12.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | V76 | G74-V76 PolarHBondContact O-N 3Š| ||
| 75 | T | 40.2 | Very low | 68.5 | Low | 74 Ų | 74 | 58.7 Ų | 58.7 | 45% | 0.454 | 31% | 0.314 | S | S | . | . | trans | -78.7 | 125.1 | -172.5 | 52.1 | 0 | 0 | 0 | 0 | 110.6 | D73 V77 R78 | D73-T75 WeakPolarHBondContact O-CG2 3.28Å; D73-T75 PolarHBondContact O-N 3.39Å; T75-V77 PolarHBondContact O-N 3.08Å; T75-R78 VanDerWaalsContact O-O 3.12Å | ||
| 76 | V | 33.1 | Very low | 68.3 | Low | 136 Ų | 136 | 58.1 Ų | 58.1 | 82% | 0.824 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -3 | 179 | -177.5 | 0 | 0 | 0 | 0 | 112.7 | G74 | G74-V76 PolarHBondContact O-N 3Š|
| 77 | V | 33.4 | Very low | 68.3 | Low | 135 Ų | 135 | 57.9 Ų | 57.9 | 82% | 0.818 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -15.7 | -171.9 | -173.8 | 0 | 0 | 0 | 0 | 112.6 | T75 | T75-V77 PolarHBondContact O-N 3.08Š|
| 78 | R | 41.8 | Very low | 68.5 | Low | 147 Ų | 147 | 55.8 Ų | 55.8 | 56% | 0.555 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -130.3 | 155.4 | 166.8 | -66.4 | 177.5 | 172.7 | -156.9 | -9.9 | 105.1 | T75 S80 R774 | T75-R78 VanDerWaalsContact O-O 3.12Å; R78-S80 PolarHBondContact O-N 3.47Å; R78-R774 PolarHBondContact NH1-O 3.11Å; R78-R774 PolarHBondContact NH2-O 2.74Å |
| 79 | E | 41.2 | Very low | 68.7 | Low | 161 Ų | 161 | 55.4 Ų | 55.4 | 75% | 0.752 | 30% | 0.297 | S | S | * | . | trans | -46.5 | 112.5 | 170.3 | -71.8 | -175.2 | -179.2 | 0 | 0 | 108.3 | T81 K83 | E79-T81 PolarHBondContact O-N 2.97Å; E79-K83 IonicContact OE2-NZ 3.06Å | ||
| 80 | S | 43.2 | Very low | 69 | Low | 16 Ų | 16 | 51 Ų | 51 | 11% | 0.112 | 28% | 0.281 | C | S | . | . | trans | -57.4 | 131.8 | -174.9 | 33.7 | 0 | 0 | 0 | 0 | 109.2 | R78 E82 H105 | R78-S80 PolarHBondContact O-N 3.47Å; S80-E82 PolarHBondContact O-N 3.23Å; S80-H105 WeakPolarHBondContact CB-CE1 3.45Å; S80-H105 WeakPolarHBondContact CB-NE2 3.34Å; S80-H105 PolarHBondContact OG-CD2 3.21Å; S80-H105 PolarHBondContact OG-CE1 3.25Å; S80-H105 PolarHBondContact OG-ND1 3.46Å; S80-H105 PolarHBondContact OG-NE2 3.12Å | ||
| 81 | T | 54.7 | Low | 69.5 | Low | 42 Ų | 42 | 48.2 Ų | 48.2 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -78.7 | -21 | -159.8 | 63.2 | 0 | 0 | 0 | 0 | 114.2 | E79 K83 | E79-T81 PolarHBondContact O-N 2.97Å; T81-K83 PolarHBondContact O-N 2.81Å |
| 82 | E | 69.3 | Low | 69.6 | Low | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.019 | 26% | 0.258 | C | S | . | . | trans | -98.6 | 77.4 | -177.7 | -51.7 | 88.6 | 162.2 | 0 | 0 | 110.8 | P72 D73 S80 V103 M461 A464 V465 | P72-E82 VanDerWaalsContact CA-OE1 3.32Å; P72-E82 WeakPolarHBondContact CA-OE1 3.23Å; D73-E82 PolarHBondContact N-OE1 2.72Å; S80-E82 PolarHBondContact O-N 3.23Å; E82-V103 WeakPolarHBondContact O-CB 3.19Å; E82-V103 WeakPolarHBondContact O-CG1 3.32Å; E82-M461 HydrophobicContact CB-SD 4.12Å; E82-A464 HydrophobicContact CB-CB 4.03Å; E82-A464 HydrophobicContact CG-CB 4.32Å; E82-V465 HydrophobicContact CG-CG2 4.15Å | ||
| 83 | K | 77.7 | Confident | 69.9 | Low | 123 Ų | 123 | 48.9 Ų | 48.9 | 54% | 0.535 | 27% | 0.272 | S | S | . | . | trans | -118.2 | 142.5 | 171.2 | 67.7 | -175.3 | 178.5 | -169.6 | 0 | 110.2 | E79 T81 F86 | E79-K83 IonicContact OE2-NZ 3.06Å; T81-K83 PolarHBondContact O-N 2.81Å; K83-F86 WeakPolarHBondContact O-CZ 3.44Å | ||
| 84 | G | 86.3 | Confident | 70.7 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 32% | 0.32 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.9 | -174.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | F86 K102 V103 | G84-F86 VanDerWaalsContact C-CE2 3.47Å; G84-K102 WeakPolarHBondContact O-CA 3.48Å; G84-V103 PolarHBondContact N-O 3.23Å; G84-V103 VanDerWaalsContact N-O 3.14Å; G84-V103 PolarHBondContact O-N 3.49Å |
| 85 | D | 90.9 | Very high | 72.4 | Confident | 35 Ų | 35 | 51.7 Ų | 51.7 | 19% | 0.187 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 116.8 | 178.1 | -171.7 | 2.9 | 0 | 0 | 0 | 107.3 | R100 K102 L154 | D85-R100 WeakPolarHBondContact OD1-CG 3.34Å; D85-R100 IonicContact OD1-CZ 3.63Å; D85-R100 IonicContact OD1-NE 2.89Å; D85-R100 PolarHBondContact OD1-NE 2.88Å; D85-R100 IonicContact OD1-NH2 3.71Å; D85-R100 IonicContact OD2-CZ 3.33Å; D85-R100 IonicContact OD2-NE 3.17Å; D85-R100 PolarHBondContact OD2-NE 3.03Å; D85-R100 IonicContact OD2-NH2 2.89Å; D85-R100 PolarHBondContact OD2-NH2 2.91Å; D85-K102 HydrophobicContact CB-CG 4.22Å; D85-K102 WeakPolarHBondContact OD1-CG 3.27Å; D85-L154 HydrophobicContact CB-CD2 4.1Å |
| 86 | F | 93.1 | Very high | 75 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 1% | 0.013 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 153.5 | -168.5 | -50.6 | -76.1 | 0 | 0 | 0 | 110.9 | K83 G84 R100 V101 V103 P155 A460 T463 A464 | K83-F86 WeakPolarHBondContact O-CZ 3.44Å; G84-F86 VanDerWaalsContact C-CE2 3.47Å; F86-R100 CarbonylContact O-C 3.53Å; F86-R100 WeakPolarHBondContact O-CA 3.39Å; F86-V101 PolarHBondContact N-O 2.91Å; F86-V101 PolarHBondContact O-N 2.74Å; F86-V103 HydrophobicContact CD2-CG2 4.36Å; F86-V103 HydrophobicContact CE2-CG2 4.2Å; F86-P155 HydrophobicContact CD1-CB 4.03Å; F86-P155 HydrophobicContact CD1-CG 4.07Å; F86-P155 HydrophobicContact CE1-CG 4.25Å; F86-A460 HydrophobicContact CB-CB 4.16Å; F86-A460 HydrophobicContact CD2-CB 4.46Å; F86-T463 HydrophobicContact CD1-CG2 4.08Å; F86-A464 HydrophobicContact CE1-CB 3.97Å; F86-A464 HydrophobicContact CE2-CB 3.73Å; F86-A464 HydrophobicContact CZ-CB 3.35Å |
| 87 | I | 95.9 | Very high | 77.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 138.6 | 167.8 | -61.6 | 174.8 | 0 | 0 | 0 | 108.5 | I98 L99 L140 M144 I149 L154 P155 V156 G157 | I87-I98 HydrophobicContact CG2-CG2 3.98Å; I87-L99 CarbonylContact C-O 3.57Å; I87-L99 VanDerWaalsContact CA-O 3.31Å; I87-L99 WeakPolarHBondContact CA-O 3.45Å; I87-L140 HydrophobicContact CD1-CD1 4.22Å; I87-L140 HydrophobicContact CG2-CD1 3.89Å; I87-M144 HydrophobicContact CD1-CE 3.9Å; I87-M144 HydrophobicContact CD1-CG 3.84Å; I87-M144 HydrophobicContact CD1-SD 4Å; I87-I149 HydrophobicContact CD1-CD1 4.11Å; I87-I149 HydrophobicContact CG1-CD1 4.49Å; I87-L154 HydrophobicContact CD1-CB 4.2Å; I87-L154 HydrophobicContact CD1-CD1 4.35Å; I87-L154 HydrophobicContact CG1-CB 4.17Å; I87-L154 HydrophobicContact CG1-CD1 4.15Å; I87-P155 PolarHBondContact N-O 2.85Å; I87-V156 HydrophobicContact CB-CG1 4.29Å; I87-V156 HydrophobicContact CB-CG2 4.1Å; I87-V156 HydrophobicContact CG2-CG1 4.15Å; I87-V156 CarbonylContact O-C 3.48Å; I87-V156 VanDerWaalsContact O-CA 3.29Å; I87-V156 WeakPolarHBondContact O-CA 3.37Å; I87-G157 PolarHBondContact O-N 3.19Å |
| 88 | A | 96.1 | Very high | 80.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 122.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | I98 L99 G157 A459 | A88-I98 CarbonylContact O-C 3.57Å; A88-I98 WeakPolarHBondContact O-CA 3.22Å; A88-L99 HydrophobicContact CB-CB 4.34Å; A88-L99 HydrophobicContact CB-CD1 4.49Å; A88-L99 PolarHBondContact N-O 3.17Å; A88-L99 PolarHBondContact O-N 3.31Å; A88-G157 CarbonylContact C-O 3.57Å; A88-G157 VanDerWaalsContact CA-O 3.31Å; A88-G157 WeakPolarHBondContact CA-O 3.37Å; A88-A459 HydrophobicContact CB-CB 4.3Å |
| 89 | L | 96.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 138.8 | 170.2 | -58 | 176.4 | 0 | 0 | 0 | 108.9 | F96 I98 V136 L140 V156 G157 L158 T159 L195 | L89-F96 HydrophobicContact CD2-CE2 4.44Å; L89-F96 HydrophobicContact CD2-CZ 4.43Å; L89-I98 HydrophobicContact CD2-CB 4.35Å; L89-I98 HydrophobicContact CD2-CD1 3.85Å; L89-I98 HydrophobicContact CD2-CG1 3.72Å; L89-I98 HydrophobicContact CD2-CG2 3.99Å; L89-V136 HydrophobicContact CD1-CG1 4.28Å; L89-L140 HydrophobicContact CD1-CD2 4.49Å; L89-L140 HydrophobicContact CD2-CB 4.48Å; L89-L140 HydrophobicContact CD2-CD1 4.18Å; L89-V156 HydrophobicContact CD1-CG1 4.01Å; L89-V156 HydrophobicContact CG-CG1 3.95Å; L89-G157 PolarHBondContact N-O 3.46Å; L89-L158 HydrophobicContact CB-CD1 3.64Å; L89-L158 HydrophobicContact CD1-CD1 4.09Å; L89-T159 WeakPolarHBondContact O-CA 3.29Å; L89-T159 WeakPolarHBondContact O-CB 3.27Å; L89-T159 PolarHBondContact O-N 2.82Å; L89-L195 HydrophobicContact CD1-CD2 3.71Å |
| 90 | D | 95.9 | Very high | 86 | Confident | 7 Ų | 7 | 25 Ų | 25 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 96.8 | 177.9 | 178.8 | 26.4 | 0 | 0 | 0 | 111.3 | F96 R97 L99 S455 | D90-F96 WeakPolarHBondContact O-CA 3.1Å; D90-F96 WeakPolarHBondContact O-CD2 3.34Å; D90-R97 HydrophobicContact CB-CB 4.27Å; D90-R97 PolarHBondContact N-O 2.93Å; D90-R97 PolarHBondContact O-N 3.39Å; D90-R97 VanDerWaalsContact O-N 3.08Å; D90-R97 IonicContact OD2-CZ 3.36Å; D90-R97 VanDerWaalsContact OD2-CZ 3.26Å; D90-R97 IonicContact OD2-NE 2.89Å; D90-R97 PolarHBondContact OD2-NE 3.16Å; D90-R97 IonicContact OD2-NH2 3.48Å; D90-R97 PolarHBondContact OD2-NH2 3.03Å; D90-L99 HydrophobicContact CB-CD1 4.49Å; D90-S455 PolarHBondContact OD1-OG 3.04Å; D90-S455 PolarHBondContact OD2-OG 3.5Å |
| 91 | L | 94.7 | Very high | 88.3 | Confident | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 138 | -173.7 | -174.6 | 66.4 | 0 | 0 | 0 | 111.9 | F96 V136 T159 F160 S161 F181 | L91-F96 HydrophobicContact CB-CD2 4.27Å; L91-F96 HydrophobicContact CD1-CB 4.2Å; L91-F96 HydrophobicContact CD1-CD2 4.01Å; L91-F96 HydrophobicContact CD1-CG 4.11Å; L91-V136 HydrophobicContact CD2-CG2 4.03Å; L91-T159 PolarHBondContact N-O 3.29Å; L91-F160 HydrophobicContact CB-CD2 4.45Å; L91-F160 HydrophobicContact CD2-CD2 4.1Å; L91-F160 HydrophobicContact CD2-CE2 3.98Å; L91-S161 PolarHBondContact O-N 2.76Å; L91-S161 PolarHBondContact O-OG 3.42Å; L91-F181 HydrophobicContact CD1-CE1 4.16Å; L91-F181 HydrophobicContact CD1-CZ 4.09Å |
| 92 | G | 85.3 | Confident | 90 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 105.7 | -4.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | F162 K179 | G92-F162 VanDerWaalsContact CA-CE2 3.49Å; G92-F162 VanDerWaalsContact CA-CZ 3.46Å; G92-K179 WeakPolarHBondContact O-CE 3.14Å; G92-K179 PolarHBondContact O-NZ 2.88Å |
| 93 | G | 83.2 | Confident | 90.7 | Very high | 29 Ų | 29 | 25.2 Ų | 25.2 | 30% | 0.299 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -79.1 | -154.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A95 | G93-A95 VanDerWaalsContact C-N 3.3Š|
| 94 | S | 80.9 | Confident | 90.6 | Very high | 93 Ų | 93 | 21.7 Ų | 21.7 | 65% | 0.65 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -72.1 | -23.8 | 174.9 | -51.4 | 0 | 0 | 0 | 0 | 113.5 | T238 | S94-T238 PolarHBondContact OG-OG1 3.1Å; S94-T238 VanDerWaalsContact OG-OG1 3.11Å |
| 95 | A | 86.8 | Confident | 89.5 | Confident | 44 Ų | 44 | 23.2 Ų | 23.2 | 36% | 0.364 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -148.4 | 150.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | G93 T117 | G93-A95 VanDerWaalsContact C-N 3.3Å; A95-T117 HydrophobicContact CB-CG2 3.65Å |
| 96 | F | 94.1 | Very high | 87.6 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 1% | 0.013 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 126.9 | 172.7 | 171.3 | -142.1 | 0 | 0 | 0 | 109.2 | L89 D90 L91 I98 T117 Y118 T120 V136 C139 | L89-F96 HydrophobicContact CD2-CE2 4.44Å; L89-F96 HydrophobicContact CD2-CZ 4.43Å; D90-F96 WeakPolarHBondContact O-CA 3.1Å; D90-F96 WeakPolarHBondContact O-CD2 3.34Å; L91-F96 HydrophobicContact CB-CD2 4.27Å; L91-F96 HydrophobicContact CD1-CB 4.2Å; L91-F96 HydrophobicContact CD1-CD2 4.01Å; L91-F96 HydrophobicContact CD1-CG 4.11Å; F96-I98 HydrophobicContact CE1-CD1 4.31Å; F96-I98 HydrophobicContact CE1-CG1 4.43Å; F96-I98 HydrophobicContact CE2-CG1 3.97Å; F96-I98 HydrophobicContact CZ-CD1 3.78Å; F96-I98 HydrophobicContact CZ-CG1 3.72Å; F96-T117 WeakPolarHBondContact O-CA 3.49Å; F96-Y118 PolarHBondContact O-N 2.99Å; F96-T120 WeakPolarHBondContact CB-OG1 3.3Å; F96-V136 HydrophobicContact CE1-CG2 4.36Å; F96-V136 HydrophobicContact CE2-CG1 4.5Å; F96-V136 HydrophobicContact CZ-CB 4.39Å; F96-V136 HydrophobicContact CZ-CG1 3.88Å; F96-V136 HydrophobicContact CZ-CG2 4.32Å; F96-C139 HydrophobicContact CE1-CB 3.6Å; F96-C139 HydrophobicContact CZ-CB 4.29Å |
| 97 | R | 94.8 | Very high | 85.3 | Confident | 66 Ų | 66 | 37.3 Ų | 37.3 | 25% | 0.249 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 147.4 | -179.3 | -58.2 | -179.4 | -69.2 | 177 | -4.4 | 111.3 | D90 L99 E116 T117 | D90-R97 HydrophobicContact CB-CB 4.27Å; D90-R97 PolarHBondContact N-O 2.93Å; D90-R97 PolarHBondContact O-N 3.39Å; D90-R97 VanDerWaalsContact O-N 3.08Å; D90-R97 IonicContact OD2-CZ 3.36Å; D90-R97 VanDerWaalsContact OD2-CZ 3.26Å; D90-R97 IonicContact OD2-NE 2.89Å; D90-R97 PolarHBondContact OD2-NE 3.16Å; D90-R97 IonicContact OD2-NH2 3.48Å; D90-R97 PolarHBondContact OD2-NH2 3.03Å; R97-L99 HydrophobicContact CB-CD1 4.21Å; R97-E116 VanDerWaalsContact CA-O 3.27Å; R97-E116 WeakPolarHBondContact CA-O 3.37Å; R97-T117 HydrophobicContact CG-CG2 4.47Å |
| 98 | I | 96.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 130.5 | 169.8 | -54 | -174.2 | 0 | 0 | 0 | 107.2 | I87 A88 L89 F96 S115 E116 Y118 C139 L140 F143 | I87-I98 HydrophobicContact CG2-CG2 3.98Å; A88-I98 CarbonylContact O-C 3.57Å; A88-I98 WeakPolarHBondContact O-CA 3.22Å; L89-I98 HydrophobicContact CD2-CB 4.35Å; L89-I98 HydrophobicContact CD2-CD1 3.85Å; L89-I98 HydrophobicContact CD2-CG1 3.72Å; L89-I98 HydrophobicContact CD2-CG2 3.99Å; F96-I98 HydrophobicContact CE1-CD1 4.31Å; F96-I98 HydrophobicContact CE1-CG1 4.43Å; F96-I98 HydrophobicContact CE2-CG1 3.97Å; F96-I98 HydrophobicContact CZ-CD1 3.78Å; F96-I98 HydrophobicContact CZ-CG1 3.72Å; I98-S115 CarbonylContact O-C 3.29Å; I98-S115 VanDerWaalsContact O-CA 3.31Å; I98-S115 WeakPolarHBondContact O-CA 3.42Å; I98-E116 PolarHBondContact N-O 3.29Å; I98-E116 PolarHBondContact O-N 2.88Å; I98-Y118 HydrophobicContact CB-CE2 4.06Å; I98-Y118 HydrophobicContact CD1-CD2 4.03Å; I98-Y118 HydrophobicContact CD1-CE2 3.73Å; I98-Y118 HydrophobicContact CG1-CD2 3.94Å; I98-Y118 HydrophobicContact CG1-CE2 3.83Å; I98-C139 HydrophobicContact CD1-CB 3.92Å; I98-L140 HydrophobicContact CD1-CB 4.14Å; I98-L140 HydrophobicContact CG2-CD1 4.39Å; I98-F143 HydrophobicContact CB-CD2 4.03Å; I98-F143 HydrophobicContact CB-CE2 4.38Å; I98-F143 HydrophobicContact CB-CG 4.14Å; I98-F143 HydrophobicContact CD1-CB 4.26Å; I98-F143 HydrophobicContact CG2-CB 4.1Å; I98-F143 HydrophobicContact CG2-CD1 3.58Å; I98-F143 HydrophobicContact CG2-CD2 3.87Å; I98-F143 HydrophobicContact CG2-CE1 3.89Å; I98-F143 HydrophobicContact CG2-CE2 4.16Å; I98-F143 HydrophobicContact CG2-CG 3.57Å; I98-F143 HydrophobicContact CG2-CZ 4.17Å |
| 99 | L | 95.3 | Very high | 81.7 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 146.6 | -179.6 | -55 | 89.5 | 0 | 0 | 0 | 110.3 | I87 A88 D90 R97 V101 E114 | I87-L99 CarbonylContact C-O 3.57Å; I87-L99 VanDerWaalsContact CA-O 3.31Å; I87-L99 WeakPolarHBondContact CA-O 3.45Å; A88-L99 HydrophobicContact CB-CB 4.34Å; A88-L99 HydrophobicContact CB-CD1 4.49Å; A88-L99 PolarHBondContact N-O 3.17Å; A88-L99 PolarHBondContact O-N 3.31Å; D90-L99 HydrophobicContact CB-CD1 4.49Å; R97-L99 HydrophobicContact CB-CD1 4.21Å; L99-V101 HydrophobicContact CB-CG2 4.22Å; L99-E114 CarbonylContact C-O 3.54Å; L99-E114 WeakPolarHBondContact CA-O 3.38Å |
| 100 | R | 94.8 | Very high | 80.3 | Confident | 19 Ų | 19 | 51.7 Ų | 51.7 | 7% | 0.072 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.3 | 160.3 | -175.3 | -175.8 | -177.7 | 179.7 | 4.9 | 107.7 | D85 F86 K102 M113 E114 F143 | D85-R100 WeakPolarHBondContact OD1-CG 3.34Å; D85-R100 IonicContact OD1-CZ 3.63Å; D85-R100 IonicContact OD1-NE 2.89Å; D85-R100 PolarHBondContact OD1-NE 2.88Å; D85-R100 IonicContact OD1-NH2 3.71Å; D85-R100 IonicContact OD2-CZ 3.33Å; D85-R100 IonicContact OD2-NE 3.17Å; D85-R100 PolarHBondContact OD2-NE 3.03Å; D85-R100 IonicContact OD2-NH2 2.89Å; D85-R100 PolarHBondContact OD2-NH2 2.91Å; F86-R100 CarbonylContact O-C 3.53Å; F86-R100 WeakPolarHBondContact O-CA 3.39Å; R100-K102 VanDerWaalsContact NE-CE 3.29Å; R100-M113 WeakPolarHBondContact O-CA 3.34Å; R100-E114 HydrophobicContact CB-CB 4.5Å; R100-E114 PolarHBondContact N-O 2.77Å; R100-E114 PolarHBondContact O-N 2.79Å; R100-F143 HydrophobicContact CB-CE1 4.04Å; R100-F143 HydrophobicContact CB-CZ 3.94Å |
| 101 | V | 92.1 | Very high | 79.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 116.2 | -176.5 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | F86 L99 V103 V111 E112 M113 A460 M461 | F86-V101 PolarHBondContact N-O 2.91Å; F86-V101 PolarHBondContact O-N 2.74Å; L99-V101 HydrophobicContact CB-CG2 4.22Å; V101-V103 HydrophobicContact CG1-CG2 4.21Å; V101-V111 HydrophobicContact CG1-CG1 3.72Å; V101-E112 WeakPolarHBondContact CA-O 3.44Å; V101-M113 HydrophobicContact CG1-CG 4.12Å; V101-M113 HydrophobicContact CG2-CG 4.17Å; V101-A460 HydrophobicContact CB-CB 3.53Å; V101-A460 HydrophobicContact CG1-CB 3.69Å; V101-A460 HydrophobicContact CG2-CB 3.74Å; V101-M461 HydrophobicContact CG1-CE 4.42Å |
| 102 | K | 90.1 | Very high | 79.4 | Confident | 60 Ų | 60 | 58.4 Ų | 58.4 | 26% | 0.261 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.7 | 173.6 | -62.4 | 174.3 | -169.6 | 160.6 | 0 | 109.4 | G84 D85 R100 V111 E112 | G84-K102 WeakPolarHBondContact O-CA 3.48Å; D85-K102 HydrophobicContact CB-CG 4.22Å; D85-K102 WeakPolarHBondContact OD1-CG 3.27Å; R100-K102 VanDerWaalsContact NE-CE 3.29Å; K102-V111 WeakPolarHBondContact O-CA 3.37Å; K102-E112 HydrophobicContact CB-CB 4.29Å; K102-E112 PolarHBondContact N-O 2.77Å; K102-E112 PolarHBondContact O-N 3.21Å |
| 103 | V | 82.9 | Confident | 79.7 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 4% | 0.036 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 117.3 | 179.8 | -163.3 | 0 | 0 | 0 | 0 | 108 | E82 G84 F86 V101 V111 M461 | E82-V103 WeakPolarHBondContact O-CB 3.19Å; E82-V103 WeakPolarHBondContact O-CG1 3.32Å; G84-V103 PolarHBondContact N-O 3.23Å; G84-V103 VanDerWaalsContact N-O 3.14Å; G84-V103 PolarHBondContact O-N 3.49Å; F86-V103 HydrophobicContact CD2-CG2 4.36Å; F86-V103 HydrophobicContact CE2-CG2 4.2Å; V101-V103 HydrophobicContact CG1-CG2 4.21Å; V103-V111 HydrophobicContact CG1-CG2 4.36Å; V103-M461 HydrophobicContact CB-CE 4.42Å; V103-M461 HydrophobicContact CG1-CE 4.22Å; V103-M461 HydrophobicContact CG2-CE 3.31Å; V103-M461 HydrophobicContact CG2-SD 4.3Å |
| 104 | S | 76.3 | Confident | 80.1 | Confident | 48 Ų | 48 | 64.3 Ų | 64.3 | 34% | 0.336 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 161.6 | 179.7 | 75.3 | 0 | 0 | 0 | 0 | 112.5 | T110 | S104-T110 PolarHBondContact N-O 3.16Å; S104-T110 VanDerWaalsContact N-O 3.14Å; S104-T110 PolarHBondContact O-N 2.98Å; S104-T110 PolarHBondContact OG-OG1 2.95Å |
| 105 | H | 64.2 | Low | 80.7 | Confident | 63 Ų | 63 | 63.5 Ų | 63.5 | 29% | 0.292 | 32% | 0.324 | S | S | . | . | trans | -117.6 | 8.4 | -173.9 | -67.3 | -57.3 | 0 | 0 | 0 | 114.1 | S80 N107 Q109 | S80-H105 WeakPolarHBondContact CB-CE1 3.45Å; S80-H105 WeakPolarHBondContact CB-NE2 3.34Å; S80-H105 PolarHBondContact OG-CD2 3.21Å; S80-H105 PolarHBondContact OG-CE1 3.25Å; S80-H105 PolarHBondContact OG-ND1 3.46Å; S80-H105 PolarHBondContact OG-NE2 3.12Å; H105-N107 PolarHBondContact O-N 2.84Å; H105-Q109 VanDerWaalsContact CE1-CG 3.5Å; H105-Q109 WeakPolarHBondContact CE1-CG 3.36Å; H105-Q109 WeakPolarHBondContact ND1-CG 3.25Å | ||
| 106 | E | 51 | Low | 81.1 | Confident | 168 Ų | 168 | 63.3 Ų | 63.3 | 79% | 0.785 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -70.8 | 106 | -179.8 | -67.6 | -169.7 | 171.4 | 0 | 0 | 110.4 | K108 | E106-K108 VanDerWaalsContact C-N 3.26Å; E106-K108 PolarHBondContact O-N 3.44Å; E106-K108 VanDerWaalsContact O-N 3.08Å |
| 107 | N | 43.2 | Very low | 81.1 | Confident | 167 Ų | 167 | 67.6 Ų | 67.6 | 89% | 0.893 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 66.8 | -1.6 | 171.4 | -63.5 | -33.2 | 0 | 0 | 0 | 118.9 | H105 | H105-N107 PolarHBondContact O-N 2.84Š|
| 108 | K | 56.6 | Low | 81.1 | Confident | 172 Ų | 172 | 66.1 Ų | 66.1 | 75% | 0.748 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 179 | 150.4 | 162.6 | -97.8 | 154.1 | -171.6 | -177.6 | 0 | 106.4 | E106 T110 | E106-K108 VanDerWaalsContact C-N 3.26Å; E106-K108 PolarHBondContact O-N 3.44Å; E106-K108 VanDerWaalsContact O-N 3.08Å; K108-T110 PolarHBondContact O-N 3.44Å |
| 109 | Q | 60.3 | Low | 80.9 | Confident | 69 Ų | 69 | 72.4 Ų | 72.4 | 32% | 0.322 | 37% | 0.37 | S | S | . | . | trans | -57.6 | 108.5 | 171.6 | -108 | 179.5 | -23.4 | 0 | 0 | 109.1 | H105 F225 | H105-Q109 VanDerWaalsContact CE1-CG 3.5Å; H105-Q109 WeakPolarHBondContact CE1-CG 3.36Å; H105-Q109 WeakPolarHBondContact ND1-CG 3.25Å; Q109-F225 HydrophobicContact CB-CZ 4.22Å; Q109-F225 HydrophobicContact CG-CZ 4.15Å | ||
| 110 | T | 68.8 | Low | 80.8 | Confident | 60 Ų | 60 | 72.9 Ų | 72.9 | 37% | 0.368 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.8 | 175.6 | 50.2 | 0 | 0 | 0 | 0 | 108.8 | S104 K108 | S104-T110 PolarHBondContact N-O 3.16Å; S104-T110 VanDerWaalsContact N-O 3.14Å; S104-T110 PolarHBondContact O-N 2.98Å; S104-T110 PolarHBondContact OG-OG1 2.95Å; K108-T110 PolarHBondContact O-N 3.44Å |
| 111 | V | 83.2 | Confident | 80.7 | Confident | 35 Ų | 35 | 74.6 Ų | 74.6 | 21% | 0.212 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 113.2 | 174.3 | -175.5 | 0 | 0 | 0 | 0 | 107.2 | V101 K102 V103 M113 F225 K457 M461 | V101-V111 HydrophobicContact CG1-CG1 3.72Å; K102-V111 WeakPolarHBondContact O-CA 3.37Å; V103-V111 HydrophobicContact CG1-CG2 4.36Å; V111-M113 HydrophobicContact CG1-CG 3.88Å; V111-M113 HydrophobicContact CG1-SD 4.22Å; V111-F225 HydrophobicContact CG2-CE1 3.72Å; V111-F225 HydrophobicContact CG2-CE2 4.25Å; V111-F225 HydrophobicContact CG2-CZ 3.5Å; V111-K457 HydrophobicContact CG1-CD 4.33Å; V111-K457 HydrophobicContact CG1-CG 4.39Å; V111-M461 HydrophobicContact CG2-CE 4.47Å |
| 112 | E | 88.4 | Confident | 80.6 | Confident | 116 Ų | 116 | 79.7 Ų | 79.7 | 54% | 0.542 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 130.8 | 172.2 | -63.1 | 180 | 175.1 | 0 | 0 | 108.8 | V101 K102 | V101-E112 WeakPolarHBondContact CA-O 3.44Å; K102-E112 HydrophobicContact CB-CB 4.29Å; K102-E112 PolarHBondContact N-O 2.77Å; K102-E112 PolarHBondContact O-N 3.21Å |
| 113 | M | 90.1 | Very high | 80.7 | Confident | 75 Ų | 75 | 83.7 Ų | 83.7 | 37% | 0.369 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 129.8 | -178.7 | -64.8 | -178.6 | -70.5 | 0 | 0 | 110.8 | R100 V101 V111 S453 K457 | R100-M113 WeakPolarHBondContact O-CA 3.34Å; V101-M113 HydrophobicContact CG1-CG 4.12Å; V101-M113 HydrophobicContact CG2-CG 4.17Å; V111-M113 HydrophobicContact CG1-CG 3.88Å; V111-M113 HydrophobicContact CG1-SD 4.22Å; M113-S453 VanDerWaalsContact CE-CB 3.47Å; M113-K457 HydrophobicContact CE-CD 4.42Å; M113-K457 HydrophobicContact SD-CB 3.75Å; M113-K457 HydrophobicContact SD-CD 4.32Å; M113-K457 HydrophobicContact SD-CG 4.26Å |
| 114 | E | 92.4 | Very high | 81.3 | Confident | 81 Ų | 81 | 84.3 Ų | 84.3 | 38% | 0.379 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 135.7 | 170.1 | -64.6 | 168.9 | 163 | 0 | 0 | 107.2 | L99 R100 H147 | L99-E114 CarbonylContact C-O 3.54Å; L99-E114 WeakPolarHBondContact CA-O 3.38Å; R100-E114 HydrophobicContact CB-CB 4.5Å; R100-E114 PolarHBondContact N-O 2.77Å; R100-E114 PolarHBondContact O-N 2.79Å; E114-H147 IonicContact OE2-CE1 2.85Å; E114-H147 IonicContact OE2-ND1 2.67Å |
| 115 | S | 93.3 | Very high | 82 | Confident | 77 Ų | 77 | 82.9 Ų | 82.9 | 54% | 0.538 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 143.7 | -177.1 | 69.6 | 0 | 0 | 0 | 0 | 112.6 | I98 | I98-S115 CarbonylContact O-C 3.29Å; I98-S115 VanDerWaalsContact O-CA 3.31Å; I98-S115 WeakPolarHBondContact O-CA 3.42Å |
| 116 | E | 94.9 | Very high | 83.5 | Confident | 39 Ų | 39 | 83.9 Ų | 83.9 | 18% | 0.182 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 145.5 | 171.3 | -66 | -170.7 | -150.9 | 0 | 0 | 110.7 | R97 I98 Y118 F143 K146 H147 | R97-E116 VanDerWaalsContact CA-O 3.27Å; R97-E116 WeakPolarHBondContact CA-O 3.37Å; I98-E116 PolarHBondContact N-O 3.29Å; I98-E116 PolarHBondContact O-N 2.88Å; E116-Y118 HydrophobicContact CB-CE2 3.75Å; E116-F143 HydrophobicContact CB-CD2 4.02Å; E116-F143 HydrophobicContact CB-CE2 4.17Å; E116-F143 HydrophobicContact CG-CD2 4.03Å; E116-F143 HydrophobicContact CG-CE2 3.97Å; E116-K146 VanDerWaalsContact OE1-CD 3.31Å; E116-K146 WeakPolarHBondContact OE1-CD 3.16Å; E116-K146 VanDerWaalsContact OE1-CE 3.31Å; E116-K146 WeakPolarHBondContact OE1-CE 3.47Å; E116-K146 IonicContact OE1-NZ 2.66Å; E116-K146 PolarHBondContact OE1-NZ 2.83Å; E116-K146 IonicContact OE2-NZ 2.66Å; E116-K146 PolarHBondContact OE2-NZ 3.01Å; E116-H147 IonicContact OE1-CD2 3.49Å; E116-H147 IonicContact OE1-CE1 4Å; E116-H147 IonicContact OE1-NE2 2.77Å; E116-H147 PolarHBondContact OE1-NE2 3.15Å |
| 117 | T | 94.6 | Very high | 85.5 | Confident | 93 Ų | 93 | 76.6 Ų | 76.6 | 57% | 0.571 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 129.9 | 176.8 | -57.6 | 0 | 0 | 0 | 0 | 108.8 | A95 F96 R97 | A95-T117 HydrophobicContact CB-CG2 3.65Å; F96-T117 WeakPolarHBondContact O-CA 3.49Å; R97-T117 HydrophobicContact CG-CG2 4.47Å |
| 118 | Y | 94.5 | Very high | 88.1 | Confident | 36 Ų | 36 | 70.5 Ų | 70.5 | 14% | 0.141 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 136.8 | 179.6 | -67.8 | -91.7 | 0 | 0 | 0 | 109.6 | F96 I98 E116 C139 F143 | F96-Y118 PolarHBondContact O-N 2.99Å; I98-Y118 HydrophobicContact CB-CE2 4.06Å; I98-Y118 HydrophobicContact CD1-CD2 4.03Å; I98-Y118 HydrophobicContact CD1-CE2 3.73Å; I98-Y118 HydrophobicContact CG1-CD2 3.94Å; I98-Y118 HydrophobicContact CG1-CE2 3.83Å; E116-Y118 HydrophobicContact CB-CE2 3.75Å; Y118-C139 HydrophobicContact CD1-CB 3.63Å; Y118-C139 VanDerWaalsContact CD1-SG 3.51Å; Y118-C139 HydrophobicContact CD2-CB 4.14Å; Y118-C139 HydrophobicContact CE1-CB 3.93Å; Y118-C139 HydrophobicContact CE2-CB 4.41Å; Y118-C139 HydrophobicContact CG-CB 3.76Å; Y118-F143 HydrophobicContact CE2-CD2 4.49Å; Y118-F143 WeakPolarHBondContact OH-CA 3.4Å; Y118-F143 WeakPolarHBondContact OH-CB 3.5Å; Y118-F143 PolarHBondContact OH-N 3.44Å |
| 119 | D | 92.1 | Very high | 90 | Very high | 131 Ų | 131 | 62.5 Ų | 62.5 | 70% | 0.701 | 34% | 0.337 | S | S | * | . | trans | -69.9 | 144.1 | 173.7 | -167.6 | 24.7 | 0 | 0 | 0 | 110.1 | H135 | D119-H135 PolarHBondContact O-CE1 2.9Å; D119-H135 PolarHBondContact O-NE2 3.41Å | ||
| 120 | T | 92.8 | Very high | 91.7 | Very high | 16 Ų | 16 | 63.5 Ų | 63.5 | 10% | 0.098 | 35% | 0.347 | C | S | . | . | trans | -129.6 | 92.6 | 176.9 | -51.3 | 0 | 0 | 0 | 0 | 107.8 | F96 I124 M125 | F96-T120 WeakPolarHBondContact CB-OG1 3.3Å; T120-I124 HydrophobicContact CG2-CB 4.38Å; T120-I124 HydrophobicContact CG2-CG2 4.14Å; T120-M125 HydrophobicContact CG2-CG 3.74Å; T120-M125 WeakPolarHBondContact O-CE 3.49Å | ||
| 121 | P | 93.2 | Very high | 93.1 | Very high | 55 Ų | 55 | 66.3 Ų | 66.3 | 36% | 0.357 | 35% | 0.351 | S | S | . | . | trans | -58.6 | 152.6 | -175.2 | -25.8 | 34.3 | 0 | 0 | 0 | 113 | E123 I124 M125 | P121-E123 PolarHBondContact O-N 2.82Å; P121-I124 HydrophobicContact CB-CG1 4.38Å; P121-I124 HydrophobicContact CG-CG1 4.41Å; P121-I124 WeakPolarHBondContact O-CA 3.44Å; P121-I124 WeakPolarHBondContact O-CB 3.41Å; P121-I124 PolarHBondContact O-N 2.95Å; P121-M125 PolarHBondContact O-N 3.04Å; P121-M125 VanDerWaalsContact O-N 3.14Å | ||
| 122 | D | 89.4 | Confident | 93.8 | Very high | 106 Ų | 106 | 64.6 Ų | 64.6 | 57% | 0.567 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -55.7 | -35.8 | 178.3 | -80.4 | -25.1 | 0 | 0 | 0 | 112.3 | I124 M125 H126 | D122-I124 PolarHBondContact O-N 2.91Å; D122-M125 PolarHBondContact O-N 3.41Å; D122-M125 WeakPolarHBondContact OD1-CE 3.45Å; D122-H126 WeakPolarHBondContact O-CB 3.43Å; D122-H126 PolarHBondContact O-N 3.45Å; D122-H126 PolarHBondContact O-ND1 2.96Å |
| 123 | E | 93 | Very high | 94.2 | Very high | 144 Ų | 144 | 59.3 Ų | 59.3 | 67% | 0.673 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62 | -28.7 | 176.3 | -62.5 | -177.7 | -167.4 | 0 | 0 | 113.5 | P121 G127 | P121-E123 PolarHBondContact O-N 2.82Å; E123-G127 WeakPolarHBondContact O-CA 3.31Å; E123-G127 PolarHBondContact O-N 3.48Å; E123-G127 VanDerWaalsContact O-N 3.17Å |
| 124 | I | 94.7 | Very high | 94.6 | Very high | 20 Ų | 20 | 57.8 Ų | 57.8 | 10% | 0.103 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -80.5 | -45.7 | 176 | -59.5 | -60.2 | 0 | 0 | 0 | 109.9 | T120 P121 D122 H126 G127 L132 H135 | T120-I124 HydrophobicContact CG2-CB 4.38Å; T120-I124 HydrophobicContact CG2-CG2 4.14Å; P121-I124 HydrophobicContact CB-CG1 4.38Å; P121-I124 HydrophobicContact CG-CG1 4.41Å; P121-I124 WeakPolarHBondContact O-CA 3.44Å; P121-I124 WeakPolarHBondContact O-CB 3.41Å; P121-I124 PolarHBondContact O-N 2.95Å; D122-I124 PolarHBondContact O-N 2.91Å; I124-H126 VanDerWaalsContact C-N 3.25Å; I124-H126 PolarHBondContact O-N 3.36Å; I124-G127 PolarHBondContact O-N 3.12Å; I124-L132 HydrophobicContact CG2-CB 4.4Å; I124-L132 HydrophobicContact CG2-CD1 3.87Å; I124-H135 HydrophobicContact CG2-CB 4.02Å |
| 125 | M | 92.5 | Very high | 94.8 | Very high | 18 Ų | 18 | 55.5 Ų | 55.5 | 9% | 0.089 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.9 | -29.6 | 179.7 | -67 | -170.3 | -73.4 | 0 | 0 | 113.5 | T120 P121 D122 F181 K182 A183 | T120-M125 HydrophobicContact CG2-CG 3.74Å; T120-M125 WeakPolarHBondContact O-CE 3.49Å; P121-M125 PolarHBondContact O-N 3.04Å; P121-M125 VanDerWaalsContact O-N 3.14Å; D122-M125 PolarHBondContact O-N 3.41Å; D122-M125 WeakPolarHBondContact OD1-CE 3.45Å; M125-F181 HydrophobicContact CB-CD1 4.34Å; M125-F181 HydrophobicContact CB-CE1 4.45Å; M125-F181 HydrophobicContact CG-CD1 4.19Å; M125-F181 HydrophobicContact CG-CE1 3.82Å; M125-F181 HydrophobicContact CG-CE2 4.31Å; M125-F181 HydrophobicContact CG-CZ 3.88Å; M125-F181 HydrophobicContact SD-CD2 4.28Å; M125-F181 HydrophobicContact SD-CE1 4.35Å; M125-F181 HydrophobicContact SD-CE2 3.78Å; M125-F181 HydrophobicContact SD-CZ 3.81Å; M125-K182 CarbonylContact O-C 3.56Å; M125-K182 PolarHBondContact O-N 2.73Å; M125-A183 PolarHBondContact O-N 3.16Å |
| 126 | H | 94.3 | Very high | 95 | Very high | 84 Ų | 84 | 52 Ų | 52 | 39% | 0.389 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 5.7 | 179.8 | -55.6 | 91.3 | 0 | 0 | 0 | 113.5 | D122 I124 R180 | D122-H126 WeakPolarHBondContact O-CB 3.43Å; D122-H126 PolarHBondContact O-N 3.45Å; D122-H126 PolarHBondContact O-ND1 2.96Å; I124-H126 VanDerWaalsContact C-N 3.25Å; I124-H126 PolarHBondContact O-N 3.36Å; H126-R180 PolarHBondContact NE2-O 3.2Å |
| 127 | G | 94.4 | Very high | 95.1 | Very high | 15 Ų | 15 | 50.2 Ų | 50.2 | 16% | 0.155 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -81.9 | -143 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | E123 I124 A183 S184 | E123-G127 WeakPolarHBondContact O-CA 3.31Å; E123-G127 PolarHBondContact O-N 3.48Å; E123-G127 VanDerWaalsContact O-N 3.17Å; I124-G127 PolarHBondContact O-N 3.12Å; G127-A183 WeakPolarHBondContact O-CA 3.02Å; G127-S184 PolarHBondContact O-N 2.93Å; G127-S184 PolarHBondContact O-OG 3.37Å |
| 128 | S | 97.3 | Very high | 95.2 | Very high | 39 Ų | 39 | 50.3 Ų | 50.3 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | B | Isolated β-bridge | trans | -93.5 | 153.5 | 170 | 66.6 | 0 | 0 | 0 | 0 | 111 | T130 R131 L132 | S128-T130 PolarHBondContact O-N 3.25Å; S128-R131 PolarHBondContact O-N 3.37Å; S128-R131 VanDerWaalsContact O-N 3.07Å; S128-R131 WeakPolarHBondContact OG-CG 3.4Å; S128-R131 PolarHBondContact OG-N 3.47Å; S128-L132 PolarHBondContact O-N 3.33Å |
| 129 | G | 95.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.2 | -41.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R131 L132 F133 S184 | G129-R131 PolarHBondContact O-N 3.23Å; G129-L132 WeakPolarHBondContact O-CB 3.32Å; G129-L132 PolarHBondContact O-N 2.99Å; G129-L132 VanDerWaalsContact O-N 3.17Å; G129-F133 WeakPolarHBondContact O-CD2 3.34Å; G129-F133 PolarHBondContact O-N 2.87Å; G129-S184 WeakPolarHBondContact CA-O 3.4Å; G129-S184 PolarHBondContact N-O 3.37Å |
| 130 | T | 96.6 | Very high | 95.6 | Very high | 89 Ų | 89 | 42.6 Ų | 42.6 | 55% | 0.546 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.9 | -48.1 | 174.6 | -46.6 | 0 | 0 | 0 | 0 | 111.9 | S128 L132 F133 D134 | S128-T130 PolarHBondContact O-N 3.25Å; T130-L132 VanDerWaalsContact C-N 3.33Å; T130-L132 PolarHBondContact O-N 2.94Å; T130-F133 PolarHBondContact O-N 2.96Å; T130-D134 VanDerWaalsContact O-CB 3.23Å; T130-D134 WeakPolarHBondContact O-CB 3.34Å; T130-D134 PolarHBondContact O-N 3.47Å |
| 131 | R | 97.2 | Very high | 95.8 | Very high | 119 Ų | 119 | 41.9 Ų | 41.9 | 45% | 0.449 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.4 | -38.2 | 178.3 | -74.5 | -177.5 | 69.2 | -175 | -0.4 | 112.1 | S128 G129 H135 | S128-R131 PolarHBondContact O-N 3.37Å; S128-R131 VanDerWaalsContact O-N 3.07Å; S128-R131 WeakPolarHBondContact OG-CG 3.4Å; S128-R131 PolarHBondContact OG-N 3.47Å; G129-R131 PolarHBondContact O-N 3.23Å; R131-H135 WeakPolarHBondContact O-CB 3.18Å; R131-H135 PolarHBondContact O-N 2.9Å |
| 132 | L | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.8 | -51.3 | 176.8 | 175.8 | 63.2 | 0 | 0 | 0 | 111.6 | I124 S128 G129 T130 H135 V136 W177 F181 A183 | I124-L132 HydrophobicContact CG2-CB 4.4Å; I124-L132 HydrophobicContact CG2-CD1 3.87Å; S128-L132 PolarHBondContact O-N 3.33Å; G129-L132 WeakPolarHBondContact O-CB 3.32Å; G129-L132 PolarHBondContact O-N 2.99Å; G129-L132 VanDerWaalsContact O-N 3.17Å; T130-L132 VanDerWaalsContact C-N 3.33Å; T130-L132 PolarHBondContact O-N 2.94Å; L132-H135 WeakPolarHBondContact O-CB 3.44Å; L132-H135 PolarHBondContact O-N 2.9Å; L132-V136 WeakPolarHBondContact O-CG2 3.12Å; L132-V136 PolarHBondContact O-N 3.43Å; L132-W177 HydrophobicContact CD2-CH2 3.94Å; L132-W177 HydrophobicContact CD2-CZ2 4.1Å; L132-F181 HydrophobicContact CD1-CE1 4.11Å; L132-F181 HydrophobicContact CD2-CD1 4.33Å; L132-A183 HydrophobicContact CB-CB 4.31Å; L132-A183 HydrophobicContact CD2-CB 3.92Å |
| 133 | F | 97.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -74.2 | -30.1 | -178.1 | -71.2 | -74.3 | 0 | 0 | 0 | 112.9 | G129 T130 H135 V136 A137 V186 V191 L194 L195 A198 | G129-F133 WeakPolarHBondContact O-CD2 3.34Å; G129-F133 PolarHBondContact O-N 2.87Å; T130-F133 PolarHBondContact O-N 2.96Å; F133-H135 VanDerWaalsContact C-N 3.32Å; F133-V136 PolarHBondContact O-N 3.33Å; F133-A137 WeakPolarHBondContact O-CB 3.21Å; F133-A137 PolarHBondContact O-N 3.02Å; F133-V186 HydrophobicContact CE2-CG1 3.86Å; F133-V186 HydrophobicContact CE2-CG2 3.99Å; F133-V186 HydrophobicContact CZ-CG1 4.23Å; F133-V191 HydrophobicContact CE1-CB 4.19Å; F133-V191 HydrophobicContact CZ-CB 3.81Å; F133-V191 HydrophobicContact CZ-CG1 3.98Å; F133-L194 HydrophobicContact CD1-CB 4.44Å; F133-L194 HydrophobicContact CD2-CB 3.63Å; F133-L194 HydrophobicContact CD2-CD1 4.02Å; F133-L194 HydrophobicContact CD2-CG 4.44Å; F133-L194 HydrophobicContact CE2-CB 3.74Å; F133-L194 HydrophobicContact CE2-CD1 3.55Å; F133-L194 HydrophobicContact CE2-CG 4.31Å; F133-L194 HydrophobicContact CG-CB 4.03Å; F133-L194 HydrophobicContact CZ-CB 4.19Å; F133-L194 HydrophobicContact CZ-CD1 4.29Å; F133-L195 HydrophobicContact CD1-CB 3.94Å; F133-L195 HydrophobicContact CD1-CD1 4.31Å; F133-L195 HydrophobicContact CE1-CB 4.35Å; F133-A198 HydrophobicContact CB-CB 3.95Å; F133-A198 WeakPolarHBondContact O-CB 3.4Å |
| 134 | D | 97.6 | Very high | 96.4 | Very high | 43 Ų | 43 | 30.8 Ų | 30.8 | 23% | 0.23 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.3 | -43.8 | 168.1 | -75.9 | -18.3 | 0 | 0 | 0 | 110.5 | T130 A137 E138 K201 | T130-D134 VanDerWaalsContact O-CB 3.23Å; T130-D134 WeakPolarHBondContact O-CB 3.34Å; T130-D134 PolarHBondContact O-N 3.47Å; D134-A137 PolarHBondContact O-N 3.48Å; D134-E138 WeakPolarHBondContact O-CB 3.45Å; D134-E138 PolarHBondContact O-N 2.92Å; D134-K201 IonicContact OD1-NZ 3.08Å; D134-K201 PolarHBondContact OD1-NZ 3.24Å; D134-K201 IonicContact OD2-NZ 3.98Å; D134-K201 PolarHBondContact OD2-NZ 3.45Å |
| 135 | H | 97.6 | Very high | 96.4 | Very high | 34 Ų | 34 | 35.2 Ų | 35.2 | 16% | 0.157 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.6 | -41.2 | 176.2 | -178.6 | 79.4 | 0 | 0 | 0 | 112.6 | D119 I124 R131 L132 F133 E138 C139 | D119-H135 PolarHBondContact O-CE1 2.9Å; D119-H135 PolarHBondContact O-NE2 3.41Å; I124-H135 HydrophobicContact CG2-CB 4.02Å; R131-H135 WeakPolarHBondContact O-CB 3.18Å; R131-H135 PolarHBondContact O-N 2.9Å; L132-H135 WeakPolarHBondContact O-CB 3.44Å; L132-H135 PolarHBondContact O-N 2.9Å; F133-H135 VanDerWaalsContact C-N 3.32Å; H135-E138 WeakPolarHBondContact O-CB 3.28Å; H135-E138 PolarHBondContact O-N 2.95Å; H135-C139 PolarHBondContact O-N 2.88Å; H135-C139 PolarHBondContact O-SG 3.38Å |
| 136 | V | 97.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -46.9 | 175.7 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | L89 L91 F96 L132 F133 E138 C139 L140 L195 | L89-V136 HydrophobicContact CD1-CG1 4.28Å; L91-V136 HydrophobicContact CD2-CG2 4.03Å; F96-V136 HydrophobicContact CE1-CG2 4.36Å; F96-V136 HydrophobicContact CE2-CG1 4.5Å; F96-V136 HydrophobicContact CZ-CB 4.39Å; F96-V136 HydrophobicContact CZ-CG1 3.88Å; F96-V136 HydrophobicContact CZ-CG2 4.32Å; L132-V136 WeakPolarHBondContact O-CG2 3.12Å; L132-V136 PolarHBondContact O-N 3.43Å; F133-V136 PolarHBondContact O-N 3.33Å; V136-E138 VanDerWaalsContact C-N 3.26Å; V136-E138 PolarHBondContact O-N 2.88Å; V136-C139 PolarHBondContact O-N 2.8Å; V136-L140 WeakPolarHBondContact O-CB 3.36Å; V136-L140 PolarHBondContact O-N 3.25Å; V136-L195 HydrophobicContact CB-CD1 4.25Å; V136-L195 HydrophobicContact CG1-CD1 3.75Å |
| 137 | A | 97 | Very high | 96.6 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.6 | -33.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F133 D134 G141 A198 I199 R202 Y205 | F133-A137 WeakPolarHBondContact O-CB 3.21Å; F133-A137 PolarHBondContact O-N 3.02Å; D134-A137 PolarHBondContact O-N 3.48Å; A137-G141 PolarHBondContact O-N 2.83Å; A137-G141 VanDerWaalsContact O-N 3.11Å; A137-A198 HydrophobicContact CB-CB 3.93Å; A137-I199 HydrophobicContact CB-CG1 3.88Å; A137-R202 PolarHBondContact O-NH1 3.48Å; A137-Y205 WeakPolarHBondContact CA-OH 3.25Å; A137-Y205 PolarHBondContact O-OH 2.87Å |
| 138 | E | 97.2 | Very high | 96.6 | Very high | 95 Ų | 95 | 46.4 Ų | 46.4 | 44% | 0.444 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.2 | -55.1 | 173.5 | -177.2 | 170.4 | -179 | 0 | 0 | 111.2 | D134 H135 V136 L140 G141 N142 R202 | D134-E138 WeakPolarHBondContact O-CB 3.45Å; D134-E138 PolarHBondContact O-N 2.92Å; H135-E138 WeakPolarHBondContact O-CB 3.28Å; H135-E138 PolarHBondContact O-N 2.95Å; V136-E138 VanDerWaalsContact C-N 3.26Å; V136-E138 PolarHBondContact O-N 2.88Å; E138-L140 VanDerWaalsContact C-N 3.34Å; E138-L140 PolarHBondContact O-N 3.09Å; E138-G141 PolarHBondContact O-N 3.27Å; E138-N142 PolarHBondContact O-N 2.82Å; E138-N142 PolarHBondContact O-ND2 2.86Å; E138-N142 PolarHBondContact O-OD1 3.38Å; E138-R202 VanDerWaalsContact C-NH1 3.32Å; E138-R202 PolarHBondContact O-NH1 2.77Å |
| 139 | C | 97.5 | Very high | 96.4 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.5 | -41.3 | -179.3 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | F96 I98 Y118 H135 V136 N142 F143 | F96-C139 HydrophobicContact CE1-CB 3.6Å; F96-C139 HydrophobicContact CZ-CB 4.29Å; I98-C139 HydrophobicContact CD1-CB 3.92Å; Y118-C139 HydrophobicContact CD1-CB 3.63Å; Y118-C139 VanDerWaalsContact CD1-SG 3.51Å; Y118-C139 HydrophobicContact CD2-CB 4.14Å; Y118-C139 HydrophobicContact CE1-CB 3.93Å; Y118-C139 HydrophobicContact CE2-CB 4.41Å; Y118-C139 HydrophobicContact CG-CB 3.76Å; H135-C139 PolarHBondContact O-N 2.88Å; H135-C139 PolarHBondContact O-SG 3.38Å; V136-C139 PolarHBondContact O-N 2.8Å; C139-N142 PolarHBondContact O-N 2.78Å; C139-F143 WeakPolarHBondContact O-CB 3.4Å; C139-F143 PolarHBondContact O-N 2.98Å |
| 140 | L | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.2 | -47.1 | 177.5 | 174.7 | 58.1 | 0 | 0 | 0 | 111.9 | I87 L89 I98 V136 E138 N142 F143 M144 I199 Y205 A207 | I87-L140 HydrophobicContact CD1-CD1 4.22Å; I87-L140 HydrophobicContact CG2-CD1 3.89Å; L89-L140 HydrophobicContact CD1-CD2 4.49Å; L89-L140 HydrophobicContact CD2-CB 4.48Å; L89-L140 HydrophobicContact CD2-CD1 4.18Å; I98-L140 HydrophobicContact CD1-CB 4.14Å; I98-L140 HydrophobicContact CG2-CD1 4.39Å; V136-L140 WeakPolarHBondContact O-CB 3.36Å; V136-L140 PolarHBondContact O-N 3.25Å; E138-L140 VanDerWaalsContact C-N 3.34Å; E138-L140 PolarHBondContact O-N 3.09Å; L140-N142 VanDerWaalsContact C-N 3.3Å; L140-N142 PolarHBondContact O-N 2.99Å; L140-F143 WeakPolarHBondContact O-CB 3.3Å; L140-F143 PolarHBondContact O-N 2.7Å; L140-M144 HydrophobicContact CD1-CG 3.96Å; L140-M144 HydrophobicContact CD1-SD 3.94Å; L140-M144 HydrophobicContact CG-SD 4.08Å; L140-M144 WeakPolarHBondContact O-CG 3.39Å; L140-M144 PolarHBondContact O-N 3.26Å; L140-I199 HydrophobicContact CD2-CD1 4.12Å; L140-Y205 WeakPolarHBondContact CB-OH 3.48Å; L140-Y205 HydrophobicContact CD2-CE2 3.76Å; L140-Y205 HydrophobicContact CG-CE2 3.85Å; L140-A207 HydrophobicContact CD2-CB 4.2Å |
| 141 | G | 96.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.2 | -36.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A137 E138 M144 E145 K150 R202 | A137-G141 PolarHBondContact O-N 2.83Å; A137-G141 VanDerWaalsContact O-N 3.11Å; E138-G141 PolarHBondContact O-N 3.27Å; G141-M144 PolarHBondContact O-N 2.7Å; G141-E145 WeakPolarHBondContact O-CB 3.39Å; G141-E145 PolarHBondContact O-N 2.88Å; G141-K150 VanDerWaalsContact O-CE 3.25Å; G141-K150 WeakPolarHBondContact O-CE 3.47Å; G141-R202 VanDerWaalsContact CA-NH1 3.34Å |
| 142 | N | 96.6 | Very high | 95.2 | Very high | 72 Ų | 72 | 47.6 Ų | 47.6 | 39% | 0.385 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.2 | -40.5 | 176.4 | -65.2 | -9 | 0 | 0 | 0 | 111.5 | E138 C139 L140 K146 R202 | E138-N142 PolarHBondContact O-N 2.82Å; E138-N142 PolarHBondContact O-ND2 2.86Å; E138-N142 PolarHBondContact O-OD1 3.38Å; C139-N142 PolarHBondContact O-N 2.78Å; L140-N142 VanDerWaalsContact C-N 3.3Å; L140-N142 PolarHBondContact O-N 2.99Å; N142-K146 WeakPolarHBondContact O-CB 3.38Å; N142-K146 PolarHBondContact O-N 2.82Å; N142-K146 VanDerWaalsContact O-N 3.11Å; N142-R202 PolarHBondContact OD1-NH2 3.37Å |
| 143 | F | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60 | -52 | 172.7 | -176.4 | -95.3 | 0 | 0 | 0 | 110.8 | I98 R100 E116 Y118 C139 L140 E145 K146 H147 I149 | I98-F143 HydrophobicContact CB-CD2 4.03Å; I98-F143 HydrophobicContact CB-CE2 4.38Å; I98-F143 HydrophobicContact CB-CG 4.14Å; I98-F143 HydrophobicContact CD1-CB 4.26Å; I98-F143 HydrophobicContact CG2-CB 4.1Å; I98-F143 HydrophobicContact CG2-CD1 3.58Å; I98-F143 HydrophobicContact CG2-CD2 3.87Å; I98-F143 HydrophobicContact CG2-CE1 3.89Å; I98-F143 HydrophobicContact CG2-CE2 4.16Å; I98-F143 HydrophobicContact CG2-CG 3.57Å; I98-F143 HydrophobicContact CG2-CZ 4.17Å; R100-F143 HydrophobicContact CB-CE1 4.04Å; R100-F143 HydrophobicContact CB-CZ 3.94Å; E116-F143 HydrophobicContact CB-CD2 4.02Å; E116-F143 HydrophobicContact CB-CE2 4.17Å; E116-F143 HydrophobicContact CG-CD2 4.03Å; E116-F143 HydrophobicContact CG-CE2 3.97Å; Y118-F143 HydrophobicContact CE2-CD2 4.49Å; Y118-F143 WeakPolarHBondContact OH-CA 3.4Å; Y118-F143 WeakPolarHBondContact OH-CB 3.5Å; Y118-F143 PolarHBondContact OH-N 3.44Å; C139-F143 WeakPolarHBondContact O-CB 3.4Å; C139-F143 PolarHBondContact O-N 2.98Å; L140-F143 WeakPolarHBondContact O-CB 3.3Å; L140-F143 PolarHBondContact O-N 2.7Å; F143-E145 VanDerWaalsContact C-N 3.32Å; F143-E145 PolarHBondContact O-N 3.34Å; F143-K146 PolarHBondContact O-N 3Å; F143-H147 AromaticContact CD2-CD2 3.73Å; F143-H147 AromaticContact CD2-NE2 3.94Å; F143-H147 AromaticContact CE1-CD2 3.9Å; F143-H147 AromaticContact CE2-CD2 3.56Å; F143-H147 AromaticContact CE2-NE2 3.5Å; F143-H147 WeakPolarHBondContact CE2-NE2 3.07Å; F143-H147 AromaticContact CG-CD2 3.99Å; F143-H147 AromaticContact CZ-CD2 3.64Å; F143-H147 AromaticContact CZ-NE2 3.83Å; F143-H147 PolarHBondContact O-CD2 3.09Å; F143-H147 PolarHBondContact O-N 3.48Å; F143-I149 HydrophobicContact CD1-CD1 4.49Å; F143-I149 HydrophobicContact CE1-CD1 4.26Å |
| 144 | M | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.8 | -35.7 | -177.8 | -67.1 | 179 | 84 | 0 | 0 | 112.9 | I87 L140 G141 K148 I149 K150 Y205 | I87-M144 HydrophobicContact CD1-CE 3.9Å; I87-M144 HydrophobicContact CD1-CG 3.84Å; I87-M144 HydrophobicContact CD1-SD 4Å; L140-M144 HydrophobicContact CD1-CG 3.96Å; L140-M144 HydrophobicContact CD1-SD 3.94Å; L140-M144 HydrophobicContact CG-SD 4.08Å; L140-M144 WeakPolarHBondContact O-CG 3.39Å; L140-M144 PolarHBondContact O-N 3.26Å; G141-M144 PolarHBondContact O-N 2.7Å; M144-K148 PolarHBondContact O-N 2.58Å; M144-I149 HydrophobicContact CB-CG1 3.92Å; M144-I149 WeakPolarHBondContact CE-O 3.37Å; M144-I149 HydrophobicContact CG-CD1 4.28Å; M144-I149 HydrophobicContact CG-CG1 4.07Å; M144-I149 WeakPolarHBondContact O-CG1 3.31Å; M144-I149 PolarHBondContact O-N 2.9Å; M144-K150 HydrophobicContact CB-CG 3.62Å; M144-Y205 HydrophobicContact CE-CD2 4.42Å; M144-Y205 HydrophobicContact SD-CD2 3.56Å; M144-Y205 VanDerWaalsContact SD-CD2 3.56Å; M144-Y205 HydrophobicContact SD-CE2 3.96Å; M144-Y205 HydrophobicContact SD-CG 4.06Å |
| 145 | E | 95.5 | Very high | 94.1 | Very high | 114 Ų | 114 | 52.6 Ų | 52.6 | 53% | 0.533 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.7 | -52.5 | 174.5 | -172.3 | 69 | -135.4 | 0 | 0 | 111 | G141 F143 H147 K148 K150 | G141-E145 WeakPolarHBondContact O-CB 3.39Å; G141-E145 PolarHBondContact O-N 2.88Å; F143-E145 VanDerWaalsContact C-N 3.32Å; F143-E145 PolarHBondContact O-N 3.34Å; E145-H147 PolarHBondContact O-N 2.78Å; E145-K148 PolarHBondContact O-N 2.66Å; E145-K150 HydrophobicContact CB-CD 4.48Å; E145-K150 VanDerWaalsContact OE2-CD 3.25Å; E145-K150 WeakPolarHBondContact OE2-CD 3.44Å; E145-K150 WeakPolarHBondContact OE2-CE 3.29Å; E145-K150 IonicContact OE2-NZ 2.86Å; E145-K150 PolarHBondContact OE2-NZ 3.12Å |
| 146 | K | 96 | Very high | 94 | Very high | 136 Ų | 136 | 51 Ų | 51 | 59% | 0.591 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -60.1 | -37 | -178.3 | -176.7 | 175.6 | 170.2 | -160.3 | 0 | 112.3 | E116 N142 F143 | E116-K146 VanDerWaalsContact OE1-CD 3.31Å; E116-K146 WeakPolarHBondContact OE1-CD 3.16Å; E116-K146 VanDerWaalsContact OE1-CE 3.31Å; E116-K146 WeakPolarHBondContact OE1-CE 3.47Å; E116-K146 IonicContact OE1-NZ 2.66Å; E116-K146 PolarHBondContact OE1-NZ 2.83Å; E116-K146 IonicContact OE2-NZ 2.66Å; E116-K146 PolarHBondContact OE2-NZ 3.01Å; N142-K146 WeakPolarHBondContact O-CB 3.38Å; N142-K146 PolarHBondContact O-N 2.82Å; N142-K146 VanDerWaalsContact O-N 3.11Å; F143-K146 PolarHBondContact O-N 3Å |
| 147 | H | 93.7 | Very high | 94 | Very high | 43 Ų | 43 | 50.9 Ų | 50.9 | 20% | 0.199 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -1.5 | 178.6 | -71.9 | -73.7 | 0 | 0 | 0 | 114.2 | E114 E116 F143 E145 I149 | E114-H147 IonicContact OE2-CE1 2.85Å; E114-H147 IonicContact OE2-ND1 2.67Å; E116-H147 IonicContact OE1-CD2 3.49Å; E116-H147 IonicContact OE1-CE1 4Å; E116-H147 IonicContact OE1-NE2 2.77Å; E116-H147 PolarHBondContact OE1-NE2 3.15Å; F143-H147 AromaticContact CD2-CD2 3.73Å; F143-H147 AromaticContact CD2-NE2 3.94Å; F143-H147 AromaticContact CE1-CD2 3.9Å; F143-H147 AromaticContact CE2-CD2 3.56Å; F143-H147 AromaticContact CE2-NE2 3.5Å; F143-H147 WeakPolarHBondContact CE2-NE2 3.07Å; F143-H147 AromaticContact CG-CD2 3.99Å; F143-H147 AromaticContact CZ-CD2 3.64Å; F143-H147 AromaticContact CZ-NE2 3.83Å; F143-H147 PolarHBondContact O-CD2 3.09Å; F143-H147 PolarHBondContact O-N 3.48Å; E145-H147 PolarHBondContact O-N 2.78Å; H147-I149 HydrophobicContact CB-CD1 3.98Å; H147-I149 HydrophobicContact CB-CG1 4.06Å; H147-I149 WeakPolarHBondContact O-CG2 3.39Å |
| 148 | K | 94.6 | Very high | 94 | Very high | 172 Ų | 172 | 50.9 Ų | 50.9 | 75% | 0.748 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 54 | -179.7 | -54.8 | -179.6 | -178 | -178.8 | 0 | 112.6 | M144 E145 | M144-K148 PolarHBondContact O-N 2.58Å; E145-K148 PolarHBondContact O-N 2.66Å |
| 149 | I | 93.7 | Very high | 94 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -130.6 | 9.8 | -176.6 | 57.4 | 177.5 | 0 | 0 | 0 | 114 | I87 F143 M144 H147 D151 K152 L154 | I87-I149 HydrophobicContact CD1-CD1 4.11Å; I87-I149 HydrophobicContact CG1-CD1 4.49Å; F143-I149 HydrophobicContact CD1-CD1 4.49Å; F143-I149 HydrophobicContact CE1-CD1 4.26Å; M144-I149 HydrophobicContact CB-CG1 3.92Å; M144-I149 WeakPolarHBondContact CE-O 3.37Å; M144-I149 HydrophobicContact CG-CD1 4.28Å; M144-I149 HydrophobicContact CG-CG1 4.07Å; M144-I149 WeakPolarHBondContact O-CG1 3.31Å; M144-I149 PolarHBondContact O-N 2.9Å; H147-I149 HydrophobicContact CB-CD1 3.98Å; H147-I149 HydrophobicContact CB-CG1 4.06Å; H147-I149 WeakPolarHBondContact O-CG2 3.39Å; I149-D151 PolarHBondContact O-N 3.4Å; I149-K152 HydrophobicContact CB-CD 4.35Å; I149-K152 HydrophobicContact CG2-CD 4.01Å; I149-K152 PolarHBondContact O-N 2.9Å; I149-K152 VanDerWaalsContact O-N 3.17Å; I149-L154 HydrophobicContact CB-CD1 4.26Å; I149-L154 HydrophobicContact CD1-CD1 4.03Å; I149-L154 HydrophobicContact CG2-CD1 4.5Å | ||
| 150 | K | 92.1 | Very high | 94 | Very high | 47 Ų | 47 | 46.2 Ų | 46.2 | 20% | 0.204 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -28.1 | 177.6 | -78.4 | -171.6 | 165.8 | 179.4 | 0 | 113.6 | G141 M144 E145 D204 | G141-K150 VanDerWaalsContact O-CE 3.25Å; G141-K150 WeakPolarHBondContact O-CE 3.47Å; M144-K150 HydrophobicContact CB-CG 3.62Å; E145-K150 HydrophobicContact CB-CD 4.48Å; E145-K150 VanDerWaalsContact OE2-CD 3.25Å; E145-K150 WeakPolarHBondContact OE2-CD 3.44Å; E145-K150 WeakPolarHBondContact OE2-CE 3.29Å; E145-K150 IonicContact OE2-NZ 2.86Å; E145-K150 PolarHBondContact OE2-NZ 3.12Å; K150-D204 IonicContact NZ-OD2 2.64Å; K150-D204 PolarHBondContact NZ-OD2 2.64Å |
| 151 | D | 88.8 | Confident | 94 | Very high | 125 Ų | 125 | 46.4 Ų | 46.4 | 67% | 0.668 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -12.9 | -179.6 | 60.2 | -49.9 | 0 | 0 | 0 | 113.9 | I149 | I149-D151 PolarHBondContact O-N 3.4Š|
| 152 | K | 84.4 | Confident | 93.9 | Very high | 105 Ų | 105 | 46.5 Ų | 46.5 | 46% | 0.457 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -89.8 | -4.8 | -167 | -64.3 | -167.6 | 176.6 | -174.7 | 0 | 115.9 | I149 L154 | I149-K152 HydrophobicContact CB-CD 4.35Å; I149-K152 HydrophobicContact CG2-CD 4.01Å; I149-K152 PolarHBondContact O-N 2.9Å; I149-K152 VanDerWaalsContact O-N 3.17Å; K152-L154 HydrophobicContact CB-CD2 3.7Å; K152-L154 HydrophobicContact CB-CG 3.86Å; K152-L154 PolarHBondContact O-N 3.14Å |
| 153 | K | 86.3 | Confident | 93.9 | Very high | 126 Ų | 126 | 43.5 Ų | 43.5 | 55% | 0.548 | 20% | 0.201 | S | C | . | . | trans | 41 | 51.5 | -176.1 | -58.2 | -166.2 | -175.8 | -155.8 | 0 | 112.6 | E206 | K153-E206 WeakPolarHBondContact CD-OE2 3.32Å; K153-E206 WeakPolarHBondContact CE-OE2 3.49Å; K153-E206 VanDerWaalsContact NZ-CD 3.3Å; K153-E206 IonicContact NZ-OE1 2.73Å; K153-E206 PolarHBondContact NZ-OE1 3.18Å; K153-E206 IonicContact NZ-OE2 3.5Å; K153-E206 PolarHBondContact NZ-OE2 2.88Å | ||
| 154 | L | 89.9 | Confident | 93.9 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 7% | 0.068 | 20% | 0.204 | C | C | . | . | trans | -69.7 | 138.9 | -175.5 | -60.5 | -176.7 | 0 | 0 | 0 | 110.7 | D85 I87 I149 K152 V156 | D85-L154 HydrophobicContact CB-CD2 4.1Å; I87-L154 HydrophobicContact CD1-CB 4.2Å; I87-L154 HydrophobicContact CD1-CD1 4.35Å; I87-L154 HydrophobicContact CG1-CB 4.17Å; I87-L154 HydrophobicContact CG1-CD1 4.15Å; I149-L154 HydrophobicContact CB-CD1 4.26Å; I149-L154 HydrophobicContact CD1-CD1 4.03Å; I149-L154 HydrophobicContact CG2-CD1 4.5Å; K152-L154 HydrophobicContact CB-CD2 3.7Å; K152-L154 HydrophobicContact CB-CG 3.86Å; K152-L154 PolarHBondContact O-N 3.14Å; L154-V156 WeakPolarHBondContact O-CG2 3.2Å | ||
| 155 | P | 93.1 | Very high | 93.9 | Very high | 12 Ų | 12 | 49.1 Ų | 49.1 | 8% | 0.078 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 140.8 | 173.8 | -17 | 29.6 | 0 | 0 | 0 | 110.9 | F86 I87 M210 T463 Y467 | F86-P155 HydrophobicContact CD1-CB 4.03Å; F86-P155 HydrophobicContact CD1-CG 4.07Å; F86-P155 HydrophobicContact CE1-CG 4.25Å; I87-P155 PolarHBondContact N-O 2.85Å; P155-M210 HydrophobicContact CB-CG 3.92Å; P155-T463 HydrophobicContact CB-CG2 3.79Å; P155-Y467 HydrophobicContact CB-CD2 4.13Å; P155-Y467 HydrophobicContact CB-CG 4.49Å; P155-Y467 HydrophobicContact CG-CD2 3.53Å; P155-Y467 HydrophobicContact CG-CE2 3.87Å; P155-Y467 HydrophobicContact CG-CG 3.92Å |
| 156 | V | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 126.5 | -174.3 | -171.8 | 0 | 0 | 0 | 0 | 110.8 | I87 L89 L154 A207 D208 I209 M210 | I87-V156 HydrophobicContact CB-CG1 4.29Å; I87-V156 HydrophobicContact CB-CG2 4.1Å; I87-V156 HydrophobicContact CG2-CG1 4.15Å; I87-V156 CarbonylContact O-C 3.48Å; I87-V156 VanDerWaalsContact O-CA 3.29Å; I87-V156 WeakPolarHBondContact O-CA 3.37Å; L89-V156 HydrophobicContact CD1-CG1 4.01Å; L89-V156 HydrophobicContact CG-CG1 3.95Å; L154-V156 WeakPolarHBondContact O-CG2 3.2Å; V156-A207 HydrophobicContact CG2-CB 3.91Å; V156-D208 PolarHBondContact N-O 3.44Å; V156-I209 HydrophobicContact CB-CD1 3.61Å; V156-I209 HydrophobicContact CG1-CD1 3.63Å; V156-I209 HydrophobicContact CG2-CD1 4.17Å; V156-I209 CarbonylContact O-C 3.6Å; V156-I209 WeakPolarHBondContact O-CA 3.17Å; V156-M210 PolarHBondContact O-N 3.12Å |
| 157 | G | 96.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 135.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I87 A88 L89 T463 | I87-G157 PolarHBondContact O-N 3.19Å; A88-G157 CarbonylContact C-O 3.57Å; A88-G157 VanDerWaalsContact CA-O 3.31Å; A88-G157 WeakPolarHBondContact CA-O 3.37Å; L89-G157 PolarHBondContact N-O 3.46Å; G157-T463 WeakPolarHBondContact CA-OG1 3.32Å; G157-T463 PolarHBondContact N-OG1 3.07Å |
| 158 | L | 97.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 105.6 | 175.3 | 175.1 | 61.8 | 0 | 0 | 0 | 109.9 | L89 F160 V191 L195 I209 A211 V212 V213 | L89-L158 HydrophobicContact CB-CD1 3.64Å; L89-L158 HydrophobicContact CD1-CD1 4.09Å; L158-F160 HydrophobicContact CD2-CB 4.33Å; L158-F160 HydrophobicContact CG-CB 4.06Å; L158-F160 PolarHBondContact O-N 3.45Å; L158-V191 HydrophobicContact CD2-CG2 4.09Å; L158-L195 HydrophobicContact CD2-CD2 4.4Å; L158-I209 HydrophobicContact CB-CG2 4.42Å; L158-A211 PolarHBondContact N-O 3.44Å; L158-V212 HydrophobicContact CB-CG2 4.3Å; L158-V212 HydrophobicContact CD2-CG1 4.46Å; L158-V212 HydrophobicContact CD2-CG2 4.22Å; L158-V212 CarbonylContact O-C 3.17Å; L158-V212 VanDerWaalsContact O-CA 3.28Å; L158-V212 WeakPolarHBondContact O-CA 3.42Å; L158-V213 PolarHBondContact O-N 3.49Å |
| 159 | T | 97.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 110.1 | 160.9 | -52.2 | 0 | 0 | 0 | 0 | 108.5 | L89 L91 V213 D215 A459 | L89-T159 WeakPolarHBondContact O-CA 3.29Å; L89-T159 WeakPolarHBondContact O-CB 3.27Å; L89-T159 PolarHBondContact O-N 2.82Å; L91-T159 PolarHBondContact N-O 3.29Å; T159-V213 CarbonylContact C-O 3.59Å; T159-V213 VanDerWaalsContact CA-O 3.27Å; T159-V213 WeakPolarHBondContact CA-O 3.11Å; T159-D215 HydrophobicContact CG2-CB 3.91Å; T159-A459 VanDerWaalsContact OG1-CB 3.27Å; T159-A459 WeakPolarHBondContact OG1-CB 3.45Å |
| 160 | F | 97.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 1% | 0.013 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 104.5 | 179.2 | -169.4 | -112.1 | 0 | 0 | 0 | 109.4 | L91 L158 F162 C164 L174 W177 V191 V212 V213 | L91-F160 HydrophobicContact CB-CD2 4.45Å; L91-F160 HydrophobicContact CD2-CD2 4.1Å; L91-F160 HydrophobicContact CD2-CE2 3.98Å; L158-F160 HydrophobicContact CD2-CB 4.33Å; L158-F160 HydrophobicContact CG-CB 4.06Å; L158-F160 PolarHBondContact O-N 3.45Å; F160-F162 HydrophobicContact CD1-CB 4.03Å; F160-F162 AromaticContact CD1-CD2 3.77Å; F160-F162 HydrophobicContact CD1-CD2 3.77Å; F160-F162 HydrophobicContact CD1-CG 4.39Å; F160-F162 AromaticContact CD2-CD2 3.76Å; F160-F162 HydrophobicContact CD2-CD2 3.76Å; F160-F162 HydrophobicContact CD2-CE2 4.08Å; F160-F162 HydrophobicContact CE1-CB 3.74Å; F160-F162 AromaticContact CE1-CD2 3.54Å; F160-F162 HydrophobicContact CE1-CD2 3.54Å; F160-F162 HydrophobicContact CE1-CG 4Å; F160-F162 AromaticContact CE2-CD2 3.5Å; F160-F162 HydrophobicContact CE2-CD2 3.5Å; F160-F162 AromaticContact CE2-CE2 3.73Å; F160-F162 HydrophobicContact CE2-CE2 3.73Å; F160-F162 AromaticContact CG-CD2 3.89Å; F160-F162 HydrophobicContact CG-CD2 3.89Å; F160-F162 HydrophobicContact CZ-CB 4.34Å; F160-F162 AromaticContact CZ-CD2 3.39Å; F160-F162 HydrophobicContact CZ-CD2 3.39Å; F160-F162 AromaticContact CZ-CE2 3.99Å; F160-F162 HydrophobicContact CZ-CE2 3.99Å; F160-F162 HydrophobicContact CZ-CG 4.12Å; F160-F162 PolarHBondContact O-N 2.95Å; F160-C164 VanDerWaalsContact CD1-SG 3.52Å; F160-L174 HydrophobicContact CE1-CB 4.48Å; F160-L174 HydrophobicContact CE1-CD1 3.94Å; F160-L174 HydrophobicContact CZ-CD1 4.44Å; F160-W177 HydrophobicContact CE1-CZ3 4.49Å; F160-W177 HydrophobicContact CE2-CH2 4.01Å; F160-W177 HydrophobicContact CE2-CZ3 4.08Å; F160-W177 AromaticContact CZ-CH2 3.56Å; F160-W177 HydrophobicContact CZ-CH2 3.56Å; F160-W177 AromaticContact CZ-CZ3 3.56Å; F160-W177 HydrophobicContact CZ-CZ3 3.56Å; F160-V191 HydrophobicContact CD1-CG1 4.42Å; F160-V191 HydrophobicContact CD1-CG2 4.22Å; F160-V191 HydrophobicContact CE1-CG1 3.75Å; F160-V191 HydrophobicContact CE1-CG2 4.38Å; F160-V191 HydrophobicContact CG-CG2 4.45Å; F160-V191 HydrophobicContact CZ-CG1 3.83Å; F160-V212 HydrophobicContact CB-CG1 3.9Å; F160-V213 PolarHBondContact N-O 3.37Å |
| 161 | S | 95.6 | Very high | 93.3 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.028 | 20% | 0.198 | C | C | . | . | trans | -83.1 | 49.1 | -164.6 | -51.1 | 0 | 0 | 0 | 0 | 112.8 | L91 K179 D215 | L91-S161 PolarHBondContact O-N 2.76Å; L91-S161 PolarHBondContact O-OG 3.42Å; S161-K179 VanDerWaalsContact CB-NZ 3.28Å; S161-K179 WeakPolarHBondContact O-CE 3.47Å; S161-K179 PolarHBondContact O-NZ 3.5Å; S161-D215 VanDerWaalsContact CB-CG 3.48Å; S161-D215 WeakPolarHBondContact CB-OD2 3.35Å; S161-D215 WeakPolarHBondContact OG-CB 3.04Å; S161-D215 VanDerWaalsContact OG-CG 3.28Å; S161-D215 PolarHBondContact OG-OD2 2.99Å | ||
| 162 | F | 95.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -139.5 | 157.9 | -176.2 | -57.1 | -81.2 | 0 | 0 | 0 | 110.5 | G92 F160 C164 L174 W177 F181 | G92-F162 VanDerWaalsContact CA-CE2 3.49Å; G92-F162 VanDerWaalsContact CA-CZ 3.46Å; F160-F162 HydrophobicContact CD1-CB 4.03Å; F160-F162 AromaticContact CD1-CD2 3.77Å; F160-F162 HydrophobicContact CD1-CD2 3.77Å; F160-F162 HydrophobicContact CD1-CG 4.39Å; F160-F162 AromaticContact CD2-CD2 3.76Å; F160-F162 HydrophobicContact CD2-CD2 3.76Å; F160-F162 HydrophobicContact CD2-CE2 4.08Å; F160-F162 HydrophobicContact CE1-CB 3.74Å; F160-F162 AromaticContact CE1-CD2 3.54Å; F160-F162 HydrophobicContact CE1-CD2 3.54Å; F160-F162 HydrophobicContact CE1-CG 4Å; F160-F162 AromaticContact CE2-CD2 3.5Å; F160-F162 HydrophobicContact CE2-CD2 3.5Å; F160-F162 AromaticContact CE2-CE2 3.73Å; F160-F162 HydrophobicContact CE2-CE2 3.73Å; F160-F162 AromaticContact CG-CD2 3.89Å; F160-F162 HydrophobicContact CG-CD2 3.89Å; F160-F162 HydrophobicContact CZ-CB 4.34Å; F160-F162 AromaticContact CZ-CD2 3.39Å; F160-F162 HydrophobicContact CZ-CD2 3.39Å; F160-F162 AromaticContact CZ-CE2 3.99Å; F160-F162 HydrophobicContact CZ-CE2 3.99Å; F160-F162 HydrophobicContact CZ-CG 4.12Å; F160-F162 PolarHBondContact O-N 2.95Å; F162-C164 PolarHBondContact O-N 3.36Å; F162-C164 VanDerWaalsContact O-N 3.09Å; F162-L174 HydrophobicContact CB-CD1 3.66Å; F162-L174 HydrophobicContact CG-CD1 4.39Å; F162-W177 AromaticContact CD1-CE3 3.57Å; F162-W177 HydrophobicContact CD1-CE3 3.57Å; F162-W177 AromaticContact CD1-CZ3 3.84Å; F162-W177 HydrophobicContact CD1-CZ3 3.84Å; F162-W177 HydrophobicContact CD2-CE3 4.24Å; F162-W177 AromaticContact CD2-CZ3 3.65Å; F162-W177 HydrophobicContact CD2-CZ3 3.65Å; F162-W177 AromaticContact CE1-CE3 3.53Å; F162-W177 HydrophobicContact CE1-CE3 3.53Å; F162-W177 AromaticContact CE1-CZ3 3.71Å; F162-W177 HydrophobicContact CE1-CZ3 3.71Å; F162-W177 HydrophobicContact CE2-CE3 4.22Å; F162-W177 AromaticContact CE2-CZ3 3.52Å; F162-W177 HydrophobicContact CE2-CZ3 3.52Å; F162-W177 AromaticContact CG-CE3 3.92Å; F162-W177 HydrophobicContact CG-CE3 3.92Å; F162-W177 AromaticContact CG-CZ3 3.8Å; F162-W177 HydrophobicContact CG-CZ3 3.8Å; F162-W177 AromaticContact CZ-CE3 3.87Å; F162-W177 HydrophobicContact CZ-CE3 3.87Å; F162-W177 AromaticContact CZ-CZ3 3.53Å; F162-W177 HydrophobicContact CZ-CZ3 3.53Å; F162-F181 HydrophobicContact CE1-CB 3.98Å; F162-F181 HydrophobicContact CE1-CD2 4.12Å; F162-F181 HydrophobicContact CE1-CG 4.15Å; F162-F181 HydrophobicContact CZ-CB 3.96Å; F162-F181 HydrophobicContact CZ-CD1 4.23Å; F162-F181 AromaticContact CZ-CD2 3.58Å; F162-F181 HydrophobicContact CZ-CD2 3.58Å; F162-F181 HydrophobicContact CZ-CE2 4.12Å; F162-F181 AromaticContact CZ-CG 3.65Å; F162-F181 HydrophobicContact CZ-CG 3.65Å |
| 163 | P | 95.5 | Very high | 94.3 | Very high | 9 Ų | 9 | 35 Ų | 35 | 6% | 0.058 | 16% | 0.157 | C | C | . | . | trans | -65.4 | 112.1 | 176.7 | 25.3 | -34.3 | 0 | 0 | 0 | 110.1 | L64 I175 K176 T178 E266 | L64-P163 HydrophobicContact CD1-CB 4.14Å; P163-I175 HydrophobicContact CB-CB 4.29Å; P163-I175 HydrophobicContact CB-CD1 4.36Å; P163-I175 HydrophobicContact CG-CB 4.49Å; P163-I175 WeakPolarHBondContact O-CB 3.29Å; P163-I175 PolarHBondContact O-N 3.4Å; P163-K176 WeakPolarHBondContact CD-O 3.21Å; P163-K176 VanDerWaalsContact CG-O 3.27Å; P163-K176 WeakPolarHBondContact CG-O 3.45Å; P163-T178 HydrophobicContact CG-CG2 4.31Å; P163-E266 WeakPolarHBondContact CA-OE1 3.46Å; P163-E266 HydrophobicContact CB-CG 3.9Å | ||
| 164 | C | 96.7 | Very high | 94.8 | Very high | 8 Ų | 8 | 29 Ų | 29 | 5% | 0.054 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.7 | 177.8 | -78.3 | 0 | 0 | 0 | 0 | 111.1 | F160 F162 Q166 Y173 | F160-C164 VanDerWaalsContact CD1-SG 3.52Å; F162-C164 PolarHBondContact O-N 3.36Å; F162-C164 VanDerWaalsContact O-N 3.09Å; C164-Q166 HydrophobicContact CB-CG 4.47Å; C164-Y173 CarbonylContact C-O 3.49Å; C164-Y173 VanDerWaalsContact CA-O 3.26Å; C164-Y173 WeakPolarHBondContact CA-O 3.43Å |
| 165 | R | 95.8 | Very high | 95.1 | Very high | 110 Ų | 110 | 31.9 Ų | 31.9 | 42% | 0.415 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 126.8 | 166.6 | -177.7 | 179.1 | 58.8 | 69.4 | 4.6 | 108.1 | Y173 I175 | R165-Y173 PolarHBondContact N-O 3.44Å; R165-Y173 WeakPolarHBondContact O-CB 3.41Å; R165-Y173 WeakPolarHBondContact O-CD2 3.48Å; R165-Y173 PolarHBondContact O-N 2.83Å; R165-I175 HydrophobicContact CB-CD1 4.21Å; R165-I175 HydrophobicContact CB-CG1 4.17Å |
| 166 | Q | 94.6 | Very high | 95.1 | Very high | 24 Ų | 24 | 36.6 Ų | 36.6 | 11% | 0.112 | 17% | 0.165 | C | C | . | . | trans | -121.6 | 151.4 | -179 | -53.6 | -171 | 75.7 | 0 | 0 | 109.7 | F67 C164 E171 V212 | F67-Q166 HydrophobicContact CD2-CB 4Å; F67-Q166 HydrophobicContact CE2-CB 4.07Å; F67-Q166 WeakPolarHBondContact CE2-O 3.35Å; C164-Q166 HydrophobicContact CB-CG 4.47Å; Q166-E171 VanDerWaalsContact CG-O 3.25Å; Q166-E171 WeakPolarHBondContact CG-O 3.48Å; Q166-E171 PolarHBondContact OE1-O 2.6Å; Q166-V212 PolarHBondContact OE1-O 2.83Å; Q166-V212 VanDerWaalsContact OE1-O 3.12Å | ||
| 167 | K | 90.6 | Very high | 95 | Very high | 144 Ų | 144 | 37.2 Ų | 37.2 | 63% | 0.626 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -119.5 | -12.8 | 167.9 | -68.7 | -174.6 | 176.4 | -176.2 | 0 | 112.7 | F67 | F67-K167 WeakPolarHBondContact CE1-O 3.49Å; F67-K167 VanDerWaalsContact CE2-C 3.43Å; F67-K167 WeakPolarHBondContact CZ-O 3.25Å |
| 168 | K | 90.9 | Very high | 94.7 | Very high | 88 Ų | 88 | 37.6 Ų | 37.6 | 38% | 0.383 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -162.2 | 168.1 | -179.9 | 53.4 | -171.8 | -128.7 | -140.1 | 0 | 107.7 | D170 E171 | K168-D170 WeakPolarHBondContact CD-OD1 3.21Å; K168-D170 WeakPolarHBondContact CE-OD1 3.38Å; K168-D170 WeakPolarHBondContact CE-OD2 3.39Å; K168-D170 VanDerWaalsContact CG-OD1 3.24Å; K168-D170 WeakPolarHBondContact CG-OD1 3.3Å; K168-D170 IonicContact NZ-OD2 2.76Å; K168-D170 PolarHBondContact O-N 3.37Å; K168-E171 HydrophobicContact CD-CG 4.13Å; K168-E171 WeakPolarHBondContact CD-OE1 3.49Å; K168-E171 WeakPolarHBondContact CE-OE1 3.37Å; K168-E171 HydrophobicContact CG-CB 4.01Å; K168-E171 HydrophobicContact CG-CG 3.78Å; K168-E171 IonicContact NZ-OE1 3.14Å; K168-E171 PolarHBondContact NZ-OE1 3.01Å; K168-E171 PolarHBondContact O-N 3.19Å |
| 169 | L | 90.8 | Very high | 94.2 | Very high | 25 Ų | 25 | 38.1 Ų | 38.1 | 13% | 0.131 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -32.4 | -171.7 | -77.5 | 168.7 | 0 | 0 | 0 | 113.8 | T66 F67 V68 E171 A211 V212 V462 A466 | T66-L169 WeakPolarHBondContact O-CD2 3.17Å; F67-L169 HydrophobicContact CB-CD2 3.9Å; F67-L169 HydrophobicContact CB-CG 3.89Å; V68-L169 HydrophobicContact CG2-CD2 3.89Å; L169-E171 VanDerWaalsContact C-N 3.32Å; L169-E171 PolarHBondContact O-N 3.23Å; L169-A211 CarbonylContact O-C 3.54Å; L169-A211 VanDerWaalsContact O-CA 3.31Å; L169-A211 WeakPolarHBondContact O-CA 3.49Å; L169-V212 PolarHBondContact O-N 3.39Å; L169-V462 HydrophobicContact CD2-CG1 3.98Å; L169-A466 HydrophobicContact CD1-CB 4.11Å |
| 170 | D | 92.3 | Very high | 93.8 | Very high | 62 Ų | 62 | 44.3 Ų | 44.3 | 33% | 0.332 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 19.1 | -177.1 | 61.4 | -44.9 | 0 | 0 | 0 | 113.3 | K168 V192 | K168-D170 WeakPolarHBondContact CD-OD1 3.21Å; K168-D170 WeakPolarHBondContact CE-OD1 3.38Å; K168-D170 WeakPolarHBondContact CE-OD2 3.39Å; K168-D170 VanDerWaalsContact CG-OD1 3.24Å; K168-D170 WeakPolarHBondContact CG-OD1 3.3Å; K168-D170 IonicContact NZ-OD2 2.76Å; K168-D170 PolarHBondContact O-N 3.37Å; D170-V192 WeakPolarHBondContact O-CG2 3.22Å |
| 171 | E | 94.1 | Very high | 93.6 | Very high | 33 Ų | 33 | 44.9 Ų | 44.9 | 15% | 0.154 | 20% | 0.198 | C | C | . | . | trans | -133.4 | 132.6 | 177 | -77.3 | 177.6 | -166.9 | 0 | 0 | 111.2 | Q166 K168 L169 Y173 | Q166-E171 VanDerWaalsContact CG-O 3.25Å; Q166-E171 WeakPolarHBondContact CG-O 3.48Å; Q166-E171 PolarHBondContact OE1-O 2.6Å; K168-E171 HydrophobicContact CD-CG 4.13Å; K168-E171 WeakPolarHBondContact CD-OE1 3.49Å; K168-E171 WeakPolarHBondContact CE-OE1 3.37Å; K168-E171 HydrophobicContact CG-CB 4.01Å; K168-E171 HydrophobicContact CG-CG 3.78Å; K168-E171 IonicContact NZ-OE1 3.14Å; K168-E171 PolarHBondContact NZ-OE1 3.01Å; K168-E171 PolarHBondContact O-N 3.19Å; L169-E171 VanDerWaalsContact C-N 3.32Å; L169-E171 PolarHBondContact O-N 3.23Å; E171-Y173 HydrophobicContact CB-CE2 4.42Å | ||
| 172 | G | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -140.4 | 90.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | L174 D190 V191 | G172-L174 PolarHBondContact O-N 3.23Å; G172-D190 PolarHBondContact N-OD1 3.45Å; G172-V191 WeakPolarHBondContact O-CG2 3.37Å; G172-V191 PolarHBondContact O-N 2.64Å | ||
| 173 | Y | 97.8 | Very high | 93.5 | Very high | 68 Ų | 68 | 50.1 Ų | 50.1 | 27% | 0.267 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 108.6 | 176.3 | -65.5 | -91.6 | 0 | 0 | 0 | 110.6 | C164 R165 E171 I175 M189 D190 | C164-Y173 CarbonylContact C-O 3.49Å; C164-Y173 VanDerWaalsContact CA-O 3.26Å; C164-Y173 WeakPolarHBondContact CA-O 3.43Å; R165-Y173 PolarHBondContact N-O 3.44Å; R165-Y173 WeakPolarHBondContact O-CB 3.41Å; R165-Y173 WeakPolarHBondContact O-CD2 3.48Å; R165-Y173 PolarHBondContact O-N 2.83Å; E171-Y173 HydrophobicContact CB-CE2 4.42Å; Y173-I175 PolarHBondContact O-N 3.21Å; Y173-M189 WeakPolarHBondContact CA-O 3.37Å; Y173-D190 HydrophobicContact CD1-CB 4.03Å; Y173-D190 HydrophobicContact CE1-CB 3.79Å; Y173-D190 HydrophobicContact CE2-CB 4.47Å; Y173-D190 HydrophobicContact CG-CB 4.46Å |
| 174 | L | 97.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 121.3 | 179 | 174.6 | 66.2 | 0 | 0 | 0 | 110.2 | F160 F162 G172 K176 W177 V186 E187 G188 M189 V191 | F160-L174 HydrophobicContact CE1-CB 4.48Å; F160-L174 HydrophobicContact CE1-CD1 3.94Å; F160-L174 HydrophobicContact CZ-CD1 4.44Å; F162-L174 HydrophobicContact CB-CD1 3.66Å; F162-L174 HydrophobicContact CG-CD1 4.39Å; G172-L174 PolarHBondContact O-N 3.23Å; L174-K176 WeakPolarHBondContact CD1-O 3.42Å; L174-W177 HydrophobicContact CD1-CE3 4.32Å; L174-W177 HydrophobicContact CD2-CD2 3.53Å; L174-W177 HydrophobicContact CD2-CE3 3.9Å; L174-W177 HydrophobicContact CD2-CG 4.06Å; L174-W177 HydrophobicContact CD2-CH2 3.97Å; L174-W177 HydrophobicContact CD2-CZ2 3.6Å; L174-W177 HydrophobicContact CD2-CZ3 4.09Å; L174-V186 HydrophobicContact CB-CG1 4.37Å; L174-V186 HydrophobicContact CD2-CB 4Å; L174-V186 HydrophobicContact CD2-CG1 3.6Å; L174-E187 HydrophobicContact CD2-CG 3.97Å; L174-E187 HydrophobicContact CG-CG 4.4Å; L174-G188 PolarHBondContact O-N 2.79Å; L174-M189 PolarHBondContact N-O 3.08Å; L174-V191 HydrophobicContact CB-CG1 4.16Å |
| 175 | I | 94.9 | Very high | 93.5 | Very high | 73 Ų | 73 | 56 Ų | 56 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | trans | -78.9 | -52.5 | 177.8 | -60.9 | 175.1 | 0 | 0 | 0 | 109.7 | L64 P163 R165 Y173 | L64-I175 HydrophobicContact CD1-CD1 3.87Å; L64-I175 HydrophobicContact CD2-CD1 3.77Å; L64-I175 HydrophobicContact CG-CD1 4.5Å; P163-I175 HydrophobicContact CB-CB 4.29Å; P163-I175 HydrophobicContact CB-CD1 4.36Å; P163-I175 HydrophobicContact CG-CB 4.49Å; P163-I175 WeakPolarHBondContact O-CB 3.29Å; P163-I175 PolarHBondContact O-N 3.4Å; R165-I175 HydrophobicContact CB-CD1 4.21Å; R165-I175 HydrophobicContact CB-CG1 4.17Å; Y173-I175 PolarHBondContact O-N 3.21Å | ||
| 176 | K | 93.2 | Very high | 93.6 | Very high | 111 Ų | 111 | 50.8 Ų | 50.8 | 48% | 0.483 | 25% | 0.252 | S | S | . | . | trans | -157.8 | 142.8 | -177.4 | -160 | 75.8 | -164.7 | 163.6 | 0 | 110.8 | P163 L174 E187 | P163-K176 WeakPolarHBondContact CD-O 3.21Å; P163-K176 VanDerWaalsContact CG-O 3.27Å; P163-K176 WeakPolarHBondContact CG-O 3.45Å; L174-K176 WeakPolarHBondContact CD1-O 3.42Å; K176-E187 VanDerWaalsContact CD-OE1 3.23Å; K176-E187 WeakPolarHBondContact CD-OE1 3.32Å; K176-E187 WeakPolarHBondContact CE-OE1 3.41Å; K176-E187 WeakPolarHBondContact CE-OE2 3.48Å; K176-E187 IonicContact NZ-OE1 2.76Å; K176-E187 PolarHBondContact NZ-OE1 3.38Å; K176-E187 IonicContact NZ-OE2 3.9Å; K176-E187 PolarHBondContact NZ-OE2 3.37Å | ||
| 177 | W | 94.4 | Very high | 93.7 | Very high | 13 Ų | 13 | 53 Ų | 53 | 5% | 0.049 | 26% | 0.263 | C | S | . | . | trans | -68.5 | 145.1 | 168.4 | -73.2 | 121.2 | 0 | 0 | 0 | 112.4 | L132 F160 F162 L174 F181 A183 V186 E187 | L132-W177 HydrophobicContact CD2-CH2 3.94Å; L132-W177 HydrophobicContact CD2-CZ2 4.1Å; F160-W177 HydrophobicContact CE1-CZ3 4.49Å; F160-W177 HydrophobicContact CE2-CH2 4.01Å; F160-W177 HydrophobicContact CE2-CZ3 4.08Å; F160-W177 AromaticContact CZ-CH2 3.56Å; F160-W177 HydrophobicContact CZ-CH2 3.56Å; F160-W177 AromaticContact CZ-CZ3 3.56Å; F160-W177 HydrophobicContact CZ-CZ3 3.56Å; F162-W177 AromaticContact CD1-CE3 3.57Å; F162-W177 HydrophobicContact CD1-CE3 3.57Å; F162-W177 AromaticContact CD1-CZ3 3.84Å; F162-W177 HydrophobicContact CD1-CZ3 3.84Å; F162-W177 HydrophobicContact CD2-CE3 4.24Å; F162-W177 AromaticContact CD2-CZ3 3.65Å; F162-W177 HydrophobicContact CD2-CZ3 3.65Å; F162-W177 AromaticContact CE1-CE3 3.53Å; F162-W177 HydrophobicContact CE1-CE3 3.53Å; F162-W177 AromaticContact CE1-CZ3 3.71Å; F162-W177 HydrophobicContact CE1-CZ3 3.71Å; F162-W177 HydrophobicContact CE2-CE3 4.22Å; F162-W177 AromaticContact CE2-CZ3 3.52Å; F162-W177 HydrophobicContact CE2-CZ3 3.52Å; F162-W177 AromaticContact CG-CE3 3.92Å; F162-W177 HydrophobicContact CG-CE3 3.92Å; F162-W177 AromaticContact CG-CZ3 3.8Å; F162-W177 HydrophobicContact CG-CZ3 3.8Å; F162-W177 AromaticContact CZ-CE3 3.87Å; F162-W177 HydrophobicContact CZ-CE3 3.87Å; F162-W177 AromaticContact CZ-CZ3 3.53Å; F162-W177 HydrophobicContact CZ-CZ3 3.53Å; L174-W177 HydrophobicContact CD1-CE3 4.32Å; L174-W177 HydrophobicContact CD2-CD2 3.53Å; L174-W177 HydrophobicContact CD2-CE3 3.9Å; L174-W177 HydrophobicContact CD2-CG 4.06Å; L174-W177 HydrophobicContact CD2-CH2 3.97Å; L174-W177 HydrophobicContact CD2-CZ2 3.6Å; L174-W177 HydrophobicContact CD2-CZ3 4.09Å; W177-F181 WeakPolarHBondContact CB-O 3.47Å; W177-F181 HydrophobicContact CD2-CB 3.99Å; W177-F181 HydrophobicContact CE3-CB 3.55Å; W177-F181 HydrophobicContact CE3-CG 4.42Å; W177-F181 HydrophobicContact CH2-CD1 4.43Å; W177-F181 HydrophobicContact CZ3-CB 3.87Å; W177-F181 HydrophobicContact CZ3-CD1 4.27Å; W177-F181 HydrophobicContact CZ3-CG 4.28Å; W177-A183 HydrophobicContact CZ2-CB 4.14Å; W177-A183 PolarHBondContact NE1-O 2.73Å; W177-V186 HydrophobicContact CH2-CG1 4.25Å; W177-V186 HydrophobicContact CZ2-CB 3.69Å; W177-V186 HydrophobicContact CZ2-CG1 3.65Å; W177-V186 HydrophobicContact CZ2-CG2 3.95Å; W177-E187 HydrophobicContact CG-CG 4.39Å; W177-E187 PolarHBondContact N-OE1 3.35Å | ||
| 178 | T | 89.2 | Confident | 94 | Very high | 10 Ų | 10 | 48.7 Ų | 48.7 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | trans | -132.2 | 175.3 | 173.8 | 65.2 | 0 | 0 | 0 | 0 | 110 | P163 R180 F181 Q297 | P163-T178 HydrophobicContact CG-CG2 4.31Å; T178-R180 PolarHBondContact O-N 3.26Å; T178-F181 PolarHBondContact O-N 2.77Å; T178-Q297 HydrophobicContact CG2-CG 4.05Å | ||
| 179 | K | 88.9 | Confident | 94.3 | Very high | 12 Ų | 12 | 48.6 Ų | 48.6 | 5% | 0.052 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | -119.9 | 178 | -59.4 | 167.8 | -77.9 | -174.3 | 0 | 112.3 | G92 S161 T238 M306 | G92-K179 WeakPolarHBondContact O-CE 3.14Å; G92-K179 PolarHBondContact O-NZ 2.88Å; S161-K179 VanDerWaalsContact CB-NZ 3.28Å; S161-K179 WeakPolarHBondContact O-CE 3.47Å; S161-K179 PolarHBondContact O-NZ 3.5Å; K179-T238 HydrophobicContact CB-CG2 4.27Å; K179-T238 HydrophobicContact CD-CG2 4.23Å; K179-T238 HydrophobicContact CG-CG2 4.26Å; K179-M306 HydrophobicContact CB-SD 4.36Å |
| 180 | R | 88.3 | Confident | 94.6 | Very high | 131 Ų | 131 | 48.5 Ų | 48.5 | 49% | 0.494 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -6.5 | -173.8 | -60.9 | -174.8 | -177.6 | -162.9 | 0.8 | 114.3 | H126 T178 M306 | H126-R180 PolarHBondContact NE2-O 3.2Å; T178-R180 PolarHBondContact O-N 3.26Å; R180-M306 HydrophobicContact CG-CE 3.85Å; R180-M306 HydrophobicContact CG-SD 3.9Å |
| 181 | F | 92.1 | Very high | 94.9 | Very high | 15 Ų | 15 | 45.5 Ų | 45.5 | 7% | 0.066 | 25% | 0.245 | C | C | . | . | trans | -89.1 | 142.7 | -175.1 | -76.6 | -107.1 | 0 | 0 | 0 | 110.4 | L91 M125 L132 F162 W177 T178 | L91-F181 HydrophobicContact CD1-CE1 4.16Å; L91-F181 HydrophobicContact CD1-CZ 4.09Å; M125-F181 HydrophobicContact CB-CD1 4.34Å; M125-F181 HydrophobicContact CB-CE1 4.45Å; M125-F181 HydrophobicContact CG-CD1 4.19Å; M125-F181 HydrophobicContact CG-CE1 3.82Å; M125-F181 HydrophobicContact CG-CE2 4.31Å; M125-F181 HydrophobicContact CG-CZ 3.88Å; M125-F181 HydrophobicContact SD-CD2 4.28Å; M125-F181 HydrophobicContact SD-CE1 4.35Å; M125-F181 HydrophobicContact SD-CE2 3.78Å; M125-F181 HydrophobicContact SD-CZ 3.81Å; L132-F181 HydrophobicContact CD1-CE1 4.11Å; L132-F181 HydrophobicContact CD2-CD1 4.33Å; F162-F181 HydrophobicContact CE1-CB 3.98Å; F162-F181 HydrophobicContact CE1-CD2 4.12Å; F162-F181 HydrophobicContact CE1-CG 4.15Å; F162-F181 HydrophobicContact CZ-CB 3.96Å; F162-F181 HydrophobicContact CZ-CD1 4.23Å; F162-F181 AromaticContact CZ-CD2 3.58Å; F162-F181 HydrophobicContact CZ-CD2 3.58Å; F162-F181 HydrophobicContact CZ-CE2 4.12Å; F162-F181 AromaticContact CZ-CG 3.65Å; F162-F181 HydrophobicContact CZ-CG 3.65Å; W177-F181 WeakPolarHBondContact CB-O 3.47Å; W177-F181 HydrophobicContact CD2-CB 3.99Å; W177-F181 HydrophobicContact CE3-CB 3.55Å; W177-F181 HydrophobicContact CE3-CG 4.42Å; W177-F181 HydrophobicContact CH2-CD1 4.43Å; W177-F181 HydrophobicContact CZ3-CB 3.87Å; W177-F181 HydrophobicContact CZ3-CD1 4.27Å; W177-F181 HydrophobicContact CZ3-CG 4.28Å; T178-F181 PolarHBondContact O-N 2.77Å | ||
| 182 | K | 93.8 | Very high | 95 | Very high | 112 Ų | 112 | 44.3 Ų | 44.3 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | trans | -155.5 | 36.1 | 174.2 | -154.7 | 164.1 | -176.7 | 169.9 | 0 | 112.5 | M125 S184 L292 | M125-K182 CarbonylContact O-C 3.56Å; M125-K182 PolarHBondContact O-N 2.73Å; K182-S184 PolarHBondContact O-N 3.43Å; K182-L292 PolarHBondContact NZ-O 2.99Å | ||
| 183 | A | 95.9 | Very high | 95 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 3% | 0.025 | 26% | 0.263 | C | S | . | . | trans | -64.3 | 127.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | M125 G127 L132 W177 V186 | M125-A183 PolarHBondContact O-N 3.16Å; G127-A183 WeakPolarHBondContact O-CA 3.02Å; L132-A183 HydrophobicContact CB-CB 4.31Å; L132-A183 HydrophobicContact CD2-CB 3.92Å; W177-A183 HydrophobicContact CZ2-CB 4.14Å; W177-A183 PolarHBondContact NE1-O 2.73Å; A183-V186 HydrophobicContact CB-CG2 4.27Å | ||
| 184 | S | 96 | Very high | 94.9 | Very high | 77 Ų | 77 | 47.4 Ų | 47.4 | 54% | 0.538 | 26% | 0.257 | S | S | . | . | B | Isolated β-bridge | trans | -73.2 | 148.9 | -176.5 | 57.7 | 0 | 0 | 0 | 0 | 112.6 | G127 G129 K182 | G127-S184 PolarHBondContact O-N 2.93Å; G127-S184 PolarHBondContact O-OG 3.37Å; G129-S184 WeakPolarHBondContact CA-O 3.4Å; G129-S184 PolarHBondContact N-O 3.37Å; K182-S184 PolarHBondContact O-N 3.43Å |
| 185 | G | 96.2 | Very high | 94.9 | Very high | 64 Ų | 64 | 47.3 Ų | 47.3 | 66% | 0.66 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 18.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 186 | V | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -110.9 | -37.3 | 176.1 | -170.3 | 0 | 0 | 0 | 0 | 112.5 | F133 L174 W177 A183 G188 M189 V191 L194 | F133-V186 HydrophobicContact CE2-CG1 3.86Å; F133-V186 HydrophobicContact CE2-CG2 3.99Å; F133-V186 HydrophobicContact CZ-CG1 4.23Å; L174-V186 HydrophobicContact CB-CG1 4.37Å; L174-V186 HydrophobicContact CD2-CB 4Å; L174-V186 HydrophobicContact CD2-CG1 3.6Å; W177-V186 HydrophobicContact CH2-CG1 4.25Å; W177-V186 HydrophobicContact CZ2-CB 3.69Å; W177-V186 HydrophobicContact CZ2-CG1 3.65Å; W177-V186 HydrophobicContact CZ2-CG2 3.95Å; A183-V186 HydrophobicContact CB-CG2 4.27Å; V186-G188 PolarHBondContact O-N 3.42Å; V186-M189 VanDerWaalsContact O-CB 3.3Å; V186-M189 WeakPolarHBondContact O-CB 3.37Å; V186-M189 PolarHBondContact O-N 2.71Å; V186-V191 HydrophobicContact CG1-CG1 4.02Å; V186-L194 HydrophobicContact CB-CD1 4.37Å; V186-L194 HydrophobicContact CG1-CD1 3.91Å; V186-L194 HydrophobicContact CG2-CD1 4.3Å | ||
| 187 | E | 97.3 | Very high | 95 | Very high | 72 Ų | 72 | 47 Ų | 47 | 34% | 0.336 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 131.4 | 177.3 | -63.1 | -175 | 158.9 | 0 | 0 | 110.6 | L174 K176 W177 M189 | L174-E187 HydrophobicContact CD2-CG 3.97Å; L174-E187 HydrophobicContact CG-CG 4.4Å; K176-E187 VanDerWaalsContact CD-OE1 3.23Å; K176-E187 WeakPolarHBondContact CD-OE1 3.32Å; K176-E187 WeakPolarHBondContact CE-OE1 3.41Å; K176-E187 WeakPolarHBondContact CE-OE2 3.48Å; K176-E187 IonicContact NZ-OE1 2.76Å; K176-E187 PolarHBondContact NZ-OE1 3.38Å; K176-E187 IonicContact NZ-OE2 3.9Å; K176-E187 PolarHBondContact NZ-OE2 3.37Å; W177-E187 HydrophobicContact CG-CG 4.39Å; W177-E187 PolarHBondContact N-OE1 3.35Å; E187-M189 VanDerWaalsContact C-N 3.26Å; E187-M189 PolarHBondContact O-N 2.92Å |
| 188 | G | 96.3 | Very high | 95.1 | Very high | 53 Ų | 53 | 46.7 Ų | 46.7 | 55% | 0.546 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -11.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L174 V186 | L174-G188 PolarHBondContact O-N 2.79Å; V186-G188 PolarHBondContact O-N 3.42Å |
| 189 | M | 97.6 | Very high | 95.4 | Very high | 86 Ų | 86 | 46.6 Ų | 46.6 | 42% | 0.424 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -96.7 | 152.4 | -178.7 | -55 | -60.9 | -69.8 | 0 | 0 | 111.3 | Y173 L174 V186 E187 V191 L194 | Y173-M189 WeakPolarHBondContact CA-O 3.37Å; L174-M189 PolarHBondContact N-O 3.08Å; V186-M189 VanDerWaalsContact O-CB 3.3Å; V186-M189 WeakPolarHBondContact O-CB 3.37Å; V186-M189 PolarHBondContact O-N 2.71Å; E187-M189 VanDerWaalsContact C-N 3.26Å; E187-M189 PolarHBondContact O-N 2.92Å; M189-V191 PolarHBondContact O-N 3.17Å; M189-L194 HydrophobicContact CB-CD1 3.87Å; M189-L194 HydrophobicContact CB-CG 4.39Å |
| 190 | D | 97.6 | Very high | 95.7 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -76.4 | 118.1 | 170.4 | 175.1 | 23.7 | 0 | 0 | 0 | 110.6 | G172 Y173 V192 H193 L194 | G172-D190 PolarHBondContact N-OD1 3.45Å; Y173-D190 HydrophobicContact CD1-CB 4.03Å; Y173-D190 HydrophobicContact CE1-CB 3.79Å; Y173-D190 HydrophobicContact CE2-CB 4.47Å; Y173-D190 HydrophobicContact CG-CB 4.46Å; D190-V192 VanDerWaalsContact C-N 3.28Å; D190-V192 PolarHBondContact O-N 2.72Å; D190-V192 PolarHBondContact OD1-N 3.36Å; D190-V192 VanDerWaalsContact OD1-N 3.09Å; D190-H193 HydrophobicContact CB-CB 4.13Å; D190-H193 PolarHBondContact O-N 2.82Å; D190-H193 PolarHBondContact OD2-N 2.66Å; D190-L194 WeakPolarHBondContact O-CG 3.21Å; D190-L194 PolarHBondContact O-N 3.12Å; D190-L194 VanDerWaalsContact O-N 3.13Å |
| 191 | V | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.8 | -24.5 | -177.3 | -57.8 | 0 | 0 | 0 | 0 | 112.9 | F133 L158 F160 G172 L174 V186 M189 L194 L195 V212 | F133-V191 HydrophobicContact CE1-CB 4.19Å; F133-V191 HydrophobicContact CZ-CB 3.81Å; F133-V191 HydrophobicContact CZ-CG1 3.98Å; L158-V191 HydrophobicContact CD2-CG2 4.09Å; F160-V191 HydrophobicContact CD1-CG1 4.42Å; F160-V191 HydrophobicContact CD1-CG2 4.22Å; F160-V191 HydrophobicContact CE1-CG1 3.75Å; F160-V191 HydrophobicContact CE1-CG2 4.38Å; F160-V191 HydrophobicContact CG-CG2 4.45Å; F160-V191 HydrophobicContact CZ-CG1 3.83Å; G172-V191 WeakPolarHBondContact O-CG2 3.37Å; G172-V191 PolarHBondContact O-N 2.64Å; L174-V191 HydrophobicContact CB-CG1 4.16Å; V186-V191 HydrophobicContact CG1-CG1 4.02Å; M189-V191 PolarHBondContact O-N 3.17Å; V191-L194 PolarHBondContact O-N 2.82Å; V191-L195 WeakPolarHBondContact O-CB 3.48Å; V191-L195 PolarHBondContact O-N 3.46Å; V191-V212 HydrophobicContact CG2-CG1 4.5Å |
| 192 | V | 96.4 | Very high | 96 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.3 | -49.9 | 174.1 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | D170 D190 L194 L195 N196 I209 V212 | D170-V192 WeakPolarHBondContact O-CG2 3.22Å; D190-V192 VanDerWaalsContact C-N 3.28Å; D190-V192 PolarHBondContact O-N 2.72Å; D190-V192 PolarHBondContact OD1-N 3.36Å; D190-V192 VanDerWaalsContact OD1-N 3.09Å; V192-L194 VanDerWaalsContact C-N 3.31Å; V192-L194 PolarHBondContact O-N 3.19Å; V192-L195 PolarHBondContact O-N 3.47Å; V192-N196 WeakPolarHBondContact O-CB 3.3Å; V192-N196 PolarHBondContact O-N 3.39Å; V192-I209 HydrophobicContact CG1-CB 3.87Å; V192-I209 HydrophobicContact CG1-CG2 3.89Å; V192-I209 HydrophobicContact CG2-CG2 4.09Å; V192-V212 HydrophobicContact CG2-CG2 3.11Å |
| 193 | H | 96 | Very high | 95.9 | Very high | 105 Ų | 105 | 54.7 Ų | 54.7 | 49% | 0.486 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.1 | -43.5 | 174 | 178.7 | 69.7 | 0 | 0 | 0 | 112.7 | D190 N196 K197 | D190-H193 HydrophobicContact CB-CB 4.13Å; D190-H193 PolarHBondContact O-N 2.82Å; D190-H193 PolarHBondContact OD2-N 2.66Å; H193-N196 PolarHBondContact O-N 3.07Å; H193-K197 WeakPolarHBondContact O-CB 3.43Å; H193-K197 PolarHBondContact O-N 3.42Å |
| 194 | L | 97.3 | Very high | 95.5 | Very high | 28 Ų | 28 | 57.5 Ų | 57.5 | 15% | 0.147 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 178.2 | -68.3 | 176.9 | 0 | 0 | 0 | 112.6 | F133 V186 M189 D190 V191 V192 A198 | F133-L194 HydrophobicContact CD1-CB 4.44Å; F133-L194 HydrophobicContact CD2-CB 3.63Å; F133-L194 HydrophobicContact CD2-CD1 4.02Å; F133-L194 HydrophobicContact CD2-CG 4.44Å; F133-L194 HydrophobicContact CE2-CB 3.74Å; F133-L194 HydrophobicContact CE2-CD1 3.55Å; F133-L194 HydrophobicContact CE2-CG 4.31Å; F133-L194 HydrophobicContact CG-CB 4.03Å; F133-L194 HydrophobicContact CZ-CB 4.19Å; F133-L194 HydrophobicContact CZ-CD1 4.29Å; V186-L194 HydrophobicContact CB-CD1 4.37Å; V186-L194 HydrophobicContact CG1-CD1 3.91Å; V186-L194 HydrophobicContact CG2-CD1 4.3Å; M189-L194 HydrophobicContact CB-CD1 3.87Å; M189-L194 HydrophobicContact CB-CG 4.39Å; D190-L194 WeakPolarHBondContact O-CG 3.21Å; D190-L194 PolarHBondContact O-N 3.12Å; D190-L194 VanDerWaalsContact O-N 3.13Å; V191-L194 PolarHBondContact O-N 2.82Å; V192-L194 VanDerWaalsContact C-N 3.31Å; V192-L194 PolarHBondContact O-N 3.19Å; L194-A198 PolarHBondContact O-N 3.49Å |
| 195 | L | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.4 | -46.8 | 176.5 | -179.9 | 57.1 | 0 | 0 | 0 | 111.4 | L89 F133 V136 L158 V191 V192 K197 A198 I199 I209 | L89-L195 HydrophobicContact CD1-CD2 3.71Å; F133-L195 HydrophobicContact CD1-CB 3.94Å; F133-L195 HydrophobicContact CD1-CD1 4.31Å; F133-L195 HydrophobicContact CE1-CB 4.35Å; V136-L195 HydrophobicContact CB-CD1 4.25Å; V136-L195 HydrophobicContact CG1-CD1 3.75Å; L158-L195 HydrophobicContact CD2-CD2 4.4Å; V191-L195 WeakPolarHBondContact O-CB 3.48Å; V191-L195 PolarHBondContact O-N 3.46Å; V192-L195 PolarHBondContact O-N 3.47Å; L195-K197 VanDerWaalsContact C-N 3.29Å; L195-K197 PolarHBondContact O-N 2.74Å; L195-A198 WeakPolarHBondContact O-CB 3.32Å; L195-A198 PolarHBondContact O-N 3.24Å; L195-I199 HydrophobicContact CD1-CD1 4.03Å; L195-I199 HydrophobicContact CD1-CG1 4.23Å; L195-I199 HydrophobicContact CG-CD1 3.88Å; L195-I199 HydrophobicContact CG-CG1 4.49Å; L195-I199 WeakPolarHBondContact O-CG1 3.42Å; L195-I199 PolarHBondContact O-N 3.26Å; L195-I209 HydrophobicContact CD2-CD1 3.75Å; L195-I209 HydrophobicContact CD2-CG1 4.11Å; L195-I209 HydrophobicContact CG-CD1 4.45Å |
| 196 | N | 95.3 | Very high | 94.9 | Very high | 47 Ų | 47 | 56.9 Ų | 56.9 | 25% | 0.251 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.6 | -44.4 | 176.3 | -75.2 | -13.7 | 0 | 0 | 0 | 111.2 | V192 H193 A198 I199 E200 I209 | V192-N196 WeakPolarHBondContact O-CB 3.3Å; V192-N196 PolarHBondContact O-N 3.39Å; H193-N196 PolarHBondContact O-N 3.07Å; N196-A198 VanDerWaalsContact C-N 3.31Å; N196-A198 PolarHBondContact O-N 3.41Å; N196-I199 PolarHBondContact O-N 3.21Å; N196-E200 WeakPolarHBondContact O-CB 3.28Å; N196-E200 WeakPolarHBondContact O-CG 3.38Å; N196-E200 PolarHBondContact O-N 2.7Å; N196-I209 WeakPolarHBondContact OD1-CG1 3.45Å |
| 197 | K | 95.8 | Very high | 94.5 | Very high | 130 Ų | 130 | 57.7 Ų | 57.7 | 57% | 0.565 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -59.7 | -38.6 | 175.5 | -174.7 | 178.6 | -178.1 | 176.1 | 0 | 113 | H193 L195 K201 | H193-K197 WeakPolarHBondContact O-CB 3.43Å; H193-K197 PolarHBondContact O-N 3.42Å; L195-K197 VanDerWaalsContact C-N 3.29Å; L195-K197 PolarHBondContact O-N 2.74Å; K197-K201 VanDerWaalsContact O-CB 3.26Å; K197-K201 WeakPolarHBondContact O-CB 3.45Å; K197-K201 PolarHBondContact O-N 3.05Å |
| 198 | A | 96.6 | Very high | 94 | Very high | 7 Ų | 7 | 58.2 Ų | 58.2 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.1 | -37.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | F133 A137 L194 L195 N196 R202 | F133-A198 HydrophobicContact CB-CB 3.95Å; F133-A198 WeakPolarHBondContact O-CB 3.4Å; A137-A198 HydrophobicContact CB-CB 3.93Å; L194-A198 PolarHBondContact O-N 3.49Å; L195-A198 WeakPolarHBondContact O-CB 3.32Å; L195-A198 PolarHBondContact O-N 3.24Å; N196-A198 VanDerWaalsContact C-N 3.31Å; N196-A198 PolarHBondContact O-N 3.41Å; A198-R202 PolarHBondContact O-N 3.16Å |
| 199 | I | 94.8 | Very high | 93.8 | Very high | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.6 | -48.4 | 175.6 | -64.9 | 172.1 | 0 | 0 | 0 | 110.5 | A137 L140 L195 N196 K201 R202 G203 Y205 A207 | A137-I199 HydrophobicContact CB-CG1 3.88Å; L140-I199 HydrophobicContact CD2-CD1 4.12Å; L195-I199 HydrophobicContact CD1-CD1 4.03Å; L195-I199 HydrophobicContact CD1-CG1 4.23Å; L195-I199 HydrophobicContact CG-CD1 3.88Å; L195-I199 HydrophobicContact CG-CG1 4.49Å; L195-I199 WeakPolarHBondContact O-CG1 3.42Å; L195-I199 PolarHBondContact O-N 3.26Å; N196-I199 PolarHBondContact O-N 3.21Å; I199-K201 VanDerWaalsContact C-N 3.34Å; I199-K201 PolarHBondContact O-N 3.17Å; I199-R202 WeakPolarHBondContact O-CB 3.26Å; I199-R202 PolarHBondContact O-N 3.3Å; I199-G203 PolarHBondContact O-N 2.7Å; I199-Y205 HydrophobicContact CD1-CE2 4.28Å; I199-Y205 HydrophobicContact CG1-CE2 4.21Å; I199-Y205 HydrophobicContact CG2-CD2 4.17Å; I199-Y205 HydrophobicContact CG2-CE2 3.7Å; I199-A207 HydrophobicContact CD1-CB 4.01Å |
| 200 | E | 94.1 | Very high | 93.6 | Very high | 152 Ų | 152 | 53 Ų | 53 | 71% | 0.71 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -57.9 | -43.7 | 175.7 | -75.2 | 173.1 | -170.9 | 0 | 0 | 112.2 | N196 R202 G203 | N196-E200 WeakPolarHBondContact O-CB 3.28Å; N196-E200 WeakPolarHBondContact O-CG 3.38Å; N196-E200 PolarHBondContact O-N 2.7Å; E200-R202 PolarHBondContact O-N 3.44Å; E200-G203 PolarHBondContact O-N 3.29Å |
| 201 | K | 95.4 | Very high | 93.5 | Very high | 140 Ų | 140 | 52 Ų | 52 | 61% | 0.609 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -59.4 | -32.1 | 176.1 | 176.3 | -174.8 | 166.8 | -165.4 | 0 | 112.1 | D134 K197 I199 | D134-K201 IonicContact OD1-NZ 3.08Å; D134-K201 PolarHBondContact OD1-NZ 3.24Å; D134-K201 IonicContact OD2-NZ 3.98Å; D134-K201 PolarHBondContact OD2-NZ 3.45Å; K197-K201 VanDerWaalsContact O-CB 3.26Å; K197-K201 WeakPolarHBondContact O-CB 3.45Å; K197-K201 PolarHBondContact O-N 3.05Å; I199-K201 VanDerWaalsContact C-N 3.34Å; I199-K201 PolarHBondContact O-N 3.17Å |
| 202 | R | 93.1 | Very high | 93.5 | Very high | 85 Ų | 85 | 52 Ų | 52 | 32% | 0.321 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -78.9 | -44.8 | 179.3 | -158 | 179.1 | -171.3 | -164.3 | 2 | 112 | A137 E138 G141 N142 A198 I199 E200 D204 | A137-R202 PolarHBondContact O-NH1 3.48Å; E138-R202 VanDerWaalsContact C-NH1 3.32Å; E138-R202 PolarHBondContact O-NH1 2.77Å; G141-R202 VanDerWaalsContact CA-NH1 3.34Å; N142-R202 PolarHBondContact OD1-NH2 3.37Å; A198-R202 PolarHBondContact O-N 3.16Å; I199-R202 WeakPolarHBondContact O-CB 3.26Å; I199-R202 PolarHBondContact O-N 3.3Å; E200-R202 PolarHBondContact O-N 3.44Å; R202-D204 VanDerWaalsContact C-N 3.27Å; R202-D204 WeakPolarHBondContact CD-OD1 3.3Å; R202-D204 WeakPolarHBondContact CG-OD1 3.43Å; R202-D204 IonicContact CZ-OD2 3.61Å; R202-D204 IonicContact NE-OD1 3.75Å; R202-D204 IonicContact NE-OD2 3.33Å; R202-D204 PolarHBondContact O-N 3.15Å |
| 203 | G | 90.8 | Very high | 93.5 | Very high | 63 Ų | 63 | 52 Ų | 52 | 65% | 0.649 | 26% | 0.263 | S | S | * | . | trans | 70.1 | 8.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | I199 E200 | I199-G203 PolarHBondContact O-N 2.7Å; E200-G203 PolarHBondContact O-N 3.29Å | ||
| 204 | D | 86.8 | Confident | 93.6 | Very high | 62 Ų | 62 | 47.3 Ų | 47.3 | 33% | 0.332 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -97.5 | -3.4 | -176.7 | 71.5 | -42 | 0 | 0 | 0 | 114.5 | K150 R202 | K150-D204 IonicContact NZ-OD2 2.64Å; K150-D204 PolarHBondContact NZ-OD2 2.64Å; R202-D204 VanDerWaalsContact C-N 3.27Å; R202-D204 WeakPolarHBondContact CD-OD1 3.3Å; R202-D204 WeakPolarHBondContact CG-OD1 3.43Å; R202-D204 IonicContact CZ-OD2 3.61Å; R202-D204 IonicContact NE-OD1 3.75Å; R202-D204 IonicContact NE-OD2 3.33Å; R202-D204 PolarHBondContact O-N 3.15Å |
| 205 | Y | 92 | Very high | 93.5 | Very high | 17 Ų | 17 | 46.9 Ų | 46.9 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | trans | -159.7 | 167.2 | 170.3 | 63.7 | -85.8 | 0 | 0 | 0 | 111 | A137 L140 M144 I199 A207 | A137-Y205 WeakPolarHBondContact CA-OH 3.25Å; A137-Y205 PolarHBondContact O-OH 2.87Å; L140-Y205 WeakPolarHBondContact CB-OH 3.48Å; L140-Y205 HydrophobicContact CD2-CE2 3.76Å; L140-Y205 HydrophobicContact CG-CE2 3.85Å; M144-Y205 HydrophobicContact CE-CD2 4.42Å; M144-Y205 HydrophobicContact SD-CD2 3.56Å; M144-Y205 VanDerWaalsContact SD-CD2 3.56Å; M144-Y205 HydrophobicContact SD-CE2 3.96Å; M144-Y205 HydrophobicContact SD-CG 4.06Å; I199-Y205 HydrophobicContact CD1-CE2 4.28Å; I199-Y205 HydrophobicContact CG1-CE2 4.21Å; I199-Y205 HydrophobicContact CG2-CD2 4.17Å; I199-Y205 HydrophobicContact CG2-CE2 3.7Å; Y205-A207 HydrophobicContact CD2-CB 4.18Å; Y205-A207 HydrophobicContact CE2-CB 3.98Å | ||
| 206 | E | 88.6 | Confident | 93.6 | Very high | 111 Ų | 111 | 46.9 Ų | 46.9 | 52% | 0.519 | 24% | 0.24 | S | C | . | . | trans | -112 | 142.3 | 169.1 | -68 | -178.9 | -149.7 | 0 | 0 | 110 | K153 | K153-E206 WeakPolarHBondContact CD-OE2 3.32Å; K153-E206 WeakPolarHBondContact CE-OE2 3.49Å; K153-E206 VanDerWaalsContact NZ-CD 3.3Å; K153-E206 IonicContact NZ-OE1 2.73Å; K153-E206 PolarHBondContact NZ-OE1 3.18Å; K153-E206 IonicContact NZ-OE2 3.5Å; K153-E206 PolarHBondContact NZ-OE2 2.88Å | ||
| 207 | A | 88.1 | Confident | 93.7 | Very high | 16 Ų | 16 | 44.6 Ų | 44.6 | 13% | 0.132 | 23% | 0.228 | C | C | . | . | trans | -142.3 | 133.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | L140 V156 I199 Y205 | L140-A207 HydrophobicContact CD2-CB 4.2Å; V156-A207 HydrophobicContact CG2-CB 3.91Å; I199-A207 HydrophobicContact CD1-CB 4.01Å; Y205-A207 HydrophobicContact CD2-CB 4.18Å; Y205-A207 HydrophobicContact CE2-CB 3.98Å | ||
| 208 | D | 87.4 | Confident | 93.7 | Very high | 84 Ų | 84 | 38.4 Ų | 38.4 | 45% | 0.449 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 103.2 | -178.8 | -164.8 | 8.3 | 0 | 0 | 0 | 109.6 | V156 M210 | V156-D208 PolarHBondContact N-O 3.44Å; D208-M210 HydrophobicContact CB-SD 4.4Å; D208-M210 PolarHBondContact O-N 3.4Å |
| 209 | I | 93.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 96.5 | -178.3 | -49.5 | -57.3 | 0 | 0 | 0 | 108.8 | V156 L158 V192 L195 N196 | V156-I209 HydrophobicContact CB-CD1 3.61Å; V156-I209 HydrophobicContact CG1-CD1 3.63Å; V156-I209 HydrophobicContact CG2-CD1 4.17Å; V156-I209 CarbonylContact O-C 3.6Å; V156-I209 WeakPolarHBondContact O-CA 3.17Å; L158-I209 HydrophobicContact CB-CG2 4.42Å; V192-I209 HydrophobicContact CG1-CB 3.87Å; V192-I209 HydrophobicContact CG1-CG2 3.89Å; V192-I209 HydrophobicContact CG2-CG2 4.09Å; L195-I209 HydrophobicContact CD2-CD1 3.75Å; L195-I209 HydrophobicContact CD2-CG1 4.11Å; L195-I209 HydrophobicContact CG-CD1 4.45Å; N196-I209 WeakPolarHBondContact OD1-CG1 3.45Å |
| 210 | M | 92.3 | Very high | 93.8 | Very high | 23 Ų | 23 | 37.7 Ų | 37.7 | 11% | 0.113 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -19.2 | -171.9 | -62.2 | -59.4 | -84.3 | 0 | 0 | 114.2 | P155 V156 D208 T463 A466 Y467 A470 | P155-M210 HydrophobicContact CB-CG 3.92Å; V156-M210 PolarHBondContact O-N 3.12Å; D208-M210 HydrophobicContact CB-SD 4.4Å; D208-M210 PolarHBondContact O-N 3.4Å; M210-T463 HydrophobicContact CB-CG2 4.12Å; M210-A466 HydrophobicContact CB-CB 4.2Å; M210-A466 WeakPolarHBondContact O-CB 3.49Å; M210-Y467 HydrophobicContact CE-CD2 4.13Å; M210-A470 HydrophobicContact CE-CB 3.38Å |
| 211 | A | 94.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 140.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L158 L169 V462 A466 | L158-A211 PolarHBondContact N-O 3.44Å; L169-A211 CarbonylContact O-C 3.54Å; L169-A211 VanDerWaalsContact O-CA 3.31Å; L169-A211 WeakPolarHBondContact O-CA 3.49Å; A211-V462 HydrophobicContact CB-CG1 3.96Å; A211-A466 HydrophobicContact CB-CB 4.4Å |
| 212 | V | 96.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.012 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127.8 | 165 | -173.9 | 0 | 0 | 0 | 0 | 109 | L158 F160 Q166 L169 V191 V192 | L158-V212 HydrophobicContact CB-CG2 4.3Å; L158-V212 HydrophobicContact CD2-CG1 4.46Å; L158-V212 HydrophobicContact CD2-CG2 4.22Å; L158-V212 CarbonylContact O-C 3.17Å; L158-V212 VanDerWaalsContact O-CA 3.28Å; L158-V212 WeakPolarHBondContact O-CA 3.42Å; F160-V212 HydrophobicContact CB-CG1 3.9Å; Q166-V212 PolarHBondContact OE1-O 2.83Å; Q166-V212 VanDerWaalsContact OE1-O 3.12Å; L169-V212 PolarHBondContact O-N 3.39Å; V191-V212 HydrophobicContact CG2-CG1 4.5Å; V192-V212 HydrophobicContact CG2-CG2 3.11Å |
| 213 | V | 97 | Very high | 93.8 | Very high | 5 Ų | 5 | 20 Ų | 20 | 3% | 0.03 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 150.3 | 179.3 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | V68 L158 T159 F160 V217 A459 V462 | V68-V213 HydrophobicContact CG2-CG1 4.47Å; L158-V213 PolarHBondContact O-N 3.49Å; T159-V213 CarbonylContact C-O 3.59Å; T159-V213 VanDerWaalsContact CA-O 3.27Å; T159-V213 WeakPolarHBondContact CA-O 3.11Å; F160-V213 PolarHBondContact N-O 3.37Å; V213-V217 HydrophobicContact CB-CB 4.29Å; V213-V217 HydrophobicContact CB-CG1 4.27Å; V213-V217 HydrophobicContact CG1-CG1 4.29Å; V213-A459 HydrophobicContact CG2-CB 3.77Å; V213-V462 HydrophobicContact CG1-CB 4.07Å; V213-V462 HydrophobicContact CG1-CG1 3.74Å; V213-V462 HydrophobicContact CG1-CG2 4.12Å |
| 214 | N | 97.6 | Very high | 93.8 | Very high | 8 Ų | 8 | 17 Ų | 17 | 4% | 0.043 | 9% | 0.089 | C | C | . | . | trans | -74.2 | 155.3 | 167.9 | -173.3 | -101 | 0 | 0 | 0 | 110.1 | T216 V217 G218 N241 | N214-T216 VanDerWaalsContact C-N 3.26Å; N214-T216 PolarHBondContact O-N 3.27Å; N214-T216 WeakPolarHBondContact OD1-CB 3.15Å; N214-T216 WeakPolarHBondContact OD1-CG2 3.39Å; N214-T216 PolarHBondContact OD1-N 3.38Å; N214-T216 VanDerWaalsContact OD1-N 3.09Å; N214-T216 PolarHBondContact OD1-OG1 2.9Å; N214-V217 HydrophobicContact CB-CG2 4.16Å; N214-V217 WeakPolarHBondContact O-CB 3.38Å; N214-V217 PolarHBondContact O-N 3.29Å; N214-G218 PolarHBondContact O-N 2.98Å; N214-N241 PolarHBondContact OD1-ND2 2.92Å | ||
| 215 | D | 96.3 | Very high | 93.8 | Very high | 18 Ų | 18 | 15.1 Ų | 15.1 | 10% | 0.096 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61 | -32.8 | 177 | 51.7 | -12 | 0 | 0 | 0 | 113 | T159 S161 G218 T219 I235 | T159-D215 HydrophobicContact CG2-CB 3.91Å; S161-D215 VanDerWaalsContact CB-CG 3.48Å; S161-D215 WeakPolarHBondContact CB-OD2 3.35Å; S161-D215 WeakPolarHBondContact OG-CB 3.04Å; S161-D215 VanDerWaalsContact OG-CG 3.28Å; S161-D215 PolarHBondContact OG-OD2 2.99Å; D215-G218 PolarHBondContact O-N 2.9Å; D215-T219 WeakPolarHBondContact O-CB 3.46Å; D215-T219 PolarHBondContact O-N 3.35Å; D215-T219 PolarHBondContact O-OG1 3.33Å; D215-I235 HydrophobicContact CB-CD1 4.14Å; D215-I235 HydrophobicContact CB-CG1 4.13Å |
| 216 | T | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.2 | -45.7 | 170.6 | 56.6 | 0 | 0 | 0 | 0 | 112.1 | N214 T219 M220 I235 N241 C243 | N214-T216 VanDerWaalsContact C-N 3.26Å; N214-T216 PolarHBondContact O-N 3.27Å; N214-T216 WeakPolarHBondContact OD1-CB 3.15Å; N214-T216 WeakPolarHBondContact OD1-CG2 3.39Å; N214-T216 PolarHBondContact OD1-N 3.38Å; N214-T216 VanDerWaalsContact OD1-N 3.09Å; N214-T216 PolarHBondContact OD1-OG1 2.9Å; T216-T219 WeakPolarHBondContact O-CB 3.47Å; T216-T219 PolarHBondContact O-N 2.9Å; T216-M220 PolarHBondContact O-N 2.97Å; T216-I235 HydrophobicContact CG2-CB 4.19Å; T216-I235 HydrophobicContact CG2-CG1 3.65Å; T216-N241 VanDerWaalsContact CG2-C 3.43Å; T216-N241 HydrophobicContact CG2-CB 3.62Å; T216-N241 WeakPolarHBondContact CG2-O 3.34Å; T216-C243 PolarHBondContact O-SG 3.13Å; T216-C243 VanDerWaalsContact O-SG 3.37Å; T216-C243 WeakPolarHBondContact OG1-CB 3.43Å |
| 217 | V | 97.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.6 | -48.4 | 178.6 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | T66 V68 V213 N214 T219 M220 M221 C243 | T66-V217 HydrophobicContact CG2-CG2 3.7Å; V68-V217 HydrophobicContact CB-CG1 4.35Å; V68-V217 HydrophobicContact CG2-CG1 3.87Å; V213-V217 HydrophobicContact CB-CB 4.29Å; V213-V217 HydrophobicContact CB-CG1 4.27Å; V213-V217 HydrophobicContact CG1-CG1 4.29Å; N214-V217 HydrophobicContact CB-CG2 4.16Å; N214-V217 WeakPolarHBondContact O-CB 3.38Å; N214-V217 PolarHBondContact O-N 3.29Å; V217-T219 PolarHBondContact O-N 2.88Å; V217-M220 PolarHBondContact O-N 2.94Å; V217-M220 VanDerWaalsContact O-N 3.16Å; V217-M221 HydrophobicContact CG1-CG 4.29Å; V217-M221 WeakPolarHBondContact O-CB 3.48Å; V217-M221 VanDerWaalsContact O-CG 3.23Å; V217-M221 WeakPolarHBondContact O-CG 3.13Å; V217-M221 PolarHBondContact O-N 2.85Å; V217-C243 HydrophobicContact CG2-CB 4.14Å |
| 218 | G | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.1 | -37.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N214 D215 T222 G458 | N214-G218 PolarHBondContact O-N 2.98Å; D215-G218 PolarHBondContact O-N 2.9Å; G218-T222 VanDerWaalsContact O-CB 3.3Å; G218-T222 WeakPolarHBondContact O-CB 3.43Å; G218-T222 PolarHBondContact O-N 2.91Å; G218-T222 PolarHBondContact O-OG1 3.18Å; G218-G458 WeakPolarHBondContact O-CA 2.9Å |
| 219 | T | 97 | Very high | 94 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.3 | -45.9 | 175.5 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | D215 T216 V217 M221 T222 C223 I235 D419 | D215-T219 WeakPolarHBondContact O-CB 3.46Å; D215-T219 PolarHBondContact O-N 3.35Å; D215-T219 PolarHBondContact O-OG1 3.33Å; T216-T219 WeakPolarHBondContact O-CB 3.47Å; T216-T219 PolarHBondContact O-N 2.9Å; V217-T219 PolarHBondContact O-N 2.88Å; T219-M221 VanDerWaalsContact C-N 3.31Å; T219-M221 PolarHBondContact O-N 3.01Å; T219-T222 PolarHBondContact O-N 3.1Å; T219-C223 WeakPolarHBondContact O-CB 3.46Å; T219-C223 PolarHBondContact O-N 3.43Å; T219-I235 WeakPolarHBondContact OG1-CD1 3.35Å; T219-D419 HydrophobicContact CG2-CB 4.02Å |
| 220 | M | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58 | -45.5 | 176 | -169.9 | -175.6 | 70.6 | 0 | 0 | 110.9 | I71 T216 V217 C223 G224 C230 M245 C262 | I71-M220 HydrophobicContact CG2-CE 4.35Å; T216-M220 PolarHBondContact O-N 2.97Å; V217-M220 PolarHBondContact O-N 2.94Å; V217-M220 VanDerWaalsContact O-N 3.16Å; M220-C223 PolarHBondContact O-N 3.14Å; M220-G224 WeakPolarHBondContact O-CA 3.32Å; M220-G224 PolarHBondContact O-N 3.12Å; M220-C230 PolarHBondContact O-SG 3.44Å; M220-C230 VanDerWaalsContact O-SG 3.36Å; M220-M245 HydrophobicContact CE-CG 4.25Å; M220-M245 HydrophobicContact CE-SD 3.68Å; M220-M245 HydrophobicContact SD-CG 4.13Å; M220-M245 HydrophobicContact SD-SD 4.3Å; M220-C262 HydrophobicContact CE-CB 3.79Å; M220-C262 WeakPolarHBondContact CE-SG 3.28Å |
| 221 | M | 94.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.02 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69 | -39.6 | -179.5 | -64.6 | -59.6 | -79.1 | 0 | 0 | 112.2 | V68 S70 I71 P72 V217 T219 G224 F225 V462 | V68-M221 HydrophobicContact CG1-CE 3.9Å; V68-M221 HydrophobicContact CG1-CG 4.47Å; V68-M221 HydrophobicContact CG1-SD 3.76Å; S70-M221 WeakPolarHBondContact O-CE 3.19Å; I71-M221 HydrophobicContact CB-SD 4.42Å; I71-M221 HydrophobicContact CG2-SD 4.2Å; P72-M221 VanDerWaalsContact CD-CE 3.49Å; P72-M221 HydrophobicContact CG-CE 3.79Å; V217-M221 HydrophobicContact CG1-CG 4.29Å; V217-M221 WeakPolarHBondContact O-CB 3.48Å; V217-M221 VanDerWaalsContact O-CG 3.23Å; V217-M221 WeakPolarHBondContact O-CG 3.13Å; V217-M221 PolarHBondContact O-N 2.85Å; T219-M221 VanDerWaalsContact C-N 3.31Å; T219-M221 PolarHBondContact O-N 3.01Å; M221-G224 PolarHBondContact O-N 2.83Å; M221-F225 PolarHBondContact O-N 2.9Å; M221-V462 HydrophobicContact CE-CG2 3.8Å; M221-V462 HydrophobicContact CG-CG2 3.82Å; M221-V462 HydrophobicContact SD-CG2 4.5Å |
| 222 | T | 93 | Very high | 94.6 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.3 | -49.5 | 174.8 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | G218 T219 F225 S451 G454 K457 G458 | G218-T222 VanDerWaalsContact O-CB 3.3Å; G218-T222 WeakPolarHBondContact O-CB 3.43Å; G218-T222 PolarHBondContact O-N 2.91Å; G218-T222 PolarHBondContact O-OG1 3.18Å; T219-T222 PolarHBondContact O-N 3.1Å; T222-F225 WeakPolarHBondContact O-CB 3.12Å; T222-S451 VanDerWaalsContact CG2-OG 3.24Å; T222-S451 WeakPolarHBondContact CG2-OG 3.33Å; T222-G454 PolarHBondContact OG1-O 2.88Å; T222-G454 VanDerWaalsContact OG1-O 3.04Å; T222-K457 HydrophobicContact CG2-CB 3.98Å; T222-K457 HydrophobicContact CG2-CD 4.09Å; T222-K457 HydrophobicContact CG2-CG 4.32Å; T222-G458 WeakPolarHBondContact OG1-CA 3.42Å; T222-G458 PolarHBondContact OG1-N 2.94Å |
| 223 | C | 94.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.007 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -72 | -32 | 178.4 | -70.1 | 0 | 0 | 0 | 0 | 112.3 | T219 M220 F225 D226 D227 G417 L449 | T219-C223 WeakPolarHBondContact O-CB 3.46Å; T219-C223 PolarHBondContact O-N 3.43Å; M220-C223 PolarHBondContact O-N 3.14Å; C223-F225 VanDerWaalsContact C-N 3.31Å; C223-F225 PolarHBondContact O-N 2.99Å; C223-D226 PolarHBondContact O-N 3.45Å; C223-D226 VanDerWaalsContact O-N 3.15Å; C223-D227 PolarHBondContact O-N 3.41Å; C223-G417 WeakPolarHBondContact SG-CA 3.41Å; C223-L449 HydrophobicContact CB-CD2 3.9Å; C223-L449 HydrophobicContact CB-CG 4.33Å |
| 224 | G | 91.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.8 | -33.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | M220 M221 D226 D227 Q228 C230 | M220-G224 WeakPolarHBondContact O-CA 3.32Å; M220-G224 PolarHBondContact O-N 3.12Å; M221-G224 PolarHBondContact O-N 2.83Å; G224-D226 VanDerWaalsContact C-N 3.27Å; G224-D226 PolarHBondContact O-N 3.44Å; G224-D227 WeakPolarHBondContact CA-O 3.24Å; G224-D227 CarbonylContact O-C 3.53Å; G224-D227 VanDerWaalsContact O-C 3.29Å; G224-D227 PolarHBondContact O-N 3.39Å; G224-Q228 PolarHBondContact O-NE2 2.86Å; G224-C230 VanDerWaalsContact CA-CB 3.45Å |
| 225 | F | 86.9 | Confident | 94.7 | Very high | 21 Ų | 21 | 20 Ų | 20 | 9% | 0.092 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.6 | -40.1 | 170.7 | -173 | -85 | 0 | 0 | 0 | 111.9 | P72 Q109 V111 M221 T222 C223 M461 | P72-F225 HydrophobicContact CB-CB 4.49Å; P72-F225 HydrophobicContact CB-CD2 4.04Å; P72-F225 HydrophobicContact CG-CB 4.3Å; P72-F225 HydrophobicContact CG-CD2 4.49Å; Q109-F225 HydrophobicContact CB-CZ 4.22Å; Q109-F225 HydrophobicContact CG-CZ 4.15Å; V111-F225 HydrophobicContact CG2-CE1 3.72Å; V111-F225 HydrophobicContact CG2-CE2 4.25Å; V111-F225 HydrophobicContact CG2-CZ 3.5Å; M221-F225 PolarHBondContact O-N 2.9Å; T222-F225 WeakPolarHBondContact O-CB 3.12Å; C223-F225 VanDerWaalsContact C-N 3.31Å; C223-F225 PolarHBondContact O-N 2.99Å; F225-M461 HydrophobicContact CD2-CE 4.33Å; F225-M461 HydrophobicContact CD2-CG 4.26Å; F225-M461 HydrophobicContact CD2-SD 3.68Å; F225-M461 HydrophobicContact CE2-CE 4.27Å; F225-M461 HydrophobicContact CE2-SD 3.83Å |
| 226 | D | 87 | Confident | 94.8 | Very high | 102 Ų | 102 | 19.1 Ų | 19.1 | 55% | 0.545 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -88.3 | -22.7 | -178.2 | -57.8 | -37.2 | 0 | 0 | 0 | 113 | C223 G224 L449 K457 | C223-D226 PolarHBondContact O-N 3.45Å; C223-D226 VanDerWaalsContact O-N 3.15Å; G224-D226 VanDerWaalsContact C-N 3.27Å; G224-D226 PolarHBondContact O-N 3.44Å; D226-L449 HydrophobicContact CB-CD2 4.33Å; D226-K457 VanDerWaalsContact CG-NZ 3.32Å; D226-K457 IonicContact OD1-NZ 3.43Å; D226-K457 PolarHBondContact OD1-NZ 2.98Å; D226-K457 IonicContact OD2-NZ 3.79Å; D226-K457 PolarHBondContact OD2-NZ 2.93Å; D226-K457 VanDerWaalsContact OD2-NZ 3.16Å |
| 227 | D | 90.3 | Very high | 94.7 | Very high | 20 Ų | 20 | 19.3 Ų | 19.3 | 11% | 0.107 | 9% | 0.09 | C | C | . | . | trans | -144.6 | 108.2 | 178 | -172.4 | -12 | 0 | 0 | 0 | 111.6 | C223 G224 R229 C230 T415 R447 L449 | C223-D227 PolarHBondContact O-N 3.41Å; G224-D227 WeakPolarHBondContact CA-O 3.24Å; G224-D227 CarbonylContact O-C 3.53Å; G224-D227 VanDerWaalsContact O-C 3.29Å; G224-D227 PolarHBondContact O-N 3.39Å; D227-R229 PolarHBondContact O-N 3.45Å; D227-R229 WeakPolarHBondContact OD1-CB 3.44Å; D227-R229 PolarHBondContact OD1-N 3.13Å; D227-C230 VanDerWaalsContact O-CB 3.3Å; D227-C230 WeakPolarHBondContact O-CB 3.24Å; D227-C230 PolarHBondContact O-N 3.36Å; D227-T415 HydrophobicContact CB-CG2 4.32Å; D227-T415 PolarHBondContact OD2-OG1 3.19Å; D227-R447 WeakPolarHBondContact OD2-CD 3.28Å; D227-R447 IonicContact OD2-CZ 2.81Å; D227-R447 IonicContact OD2-NE 3.24Å; D227-R447 IonicContact OD2-NH1 3.44Å; D227-R447 PolarHBondContact OD2-NH1 2.92Å; D227-L449 HydrophobicContact CB-CD2 4.06Å | ||
| 228 | Q | 89.1 | Confident | 94.4 | Very high | 96 Ų | 96 | 20.1 Ų | 20.1 | 45% | 0.449 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -1.5 | 179.9 | -64.1 | -61.5 | -41.4 | 0 | 0 | 114.8 | I71 P72 G224 | I71-Q228 WeakPolarHBondContact CD1-O 3.32Å; P72-Q228 PolarHBondContact O-NE2 3.31Å; P72-Q228 PolarHBondContact O-OE1 3.26Å; G224-Q228 PolarHBondContact O-NE2 2.86Å |
| 229 | R | 94.1 | Very high | 94.4 | Very high | 130 Ų | 130 | 20.4 Ų | 20.4 | 49% | 0.491 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 2.2 | 170.7 | -61.2 | -174.9 | 177 | 140.8 | 4.2 | 113.5 | D227 E231 T414 T415 | D227-R229 PolarHBondContact O-N 3.45Å; D227-R229 WeakPolarHBondContact OD1-CB 3.44Å; D227-R229 PolarHBondContact OD1-N 3.13Å; R229-E231 PolarHBondContact O-N 2.79Å; R229-T414 PolarHBondContact O-OG1 3.13Å; R229-T415 PolarHBondContact O-N 3.42Å |
| 230 | C | 96.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.007 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 118.5 | 178.9 | -164.9 | 0 | 0 | 0 | 0 | 110.5 | I71 M220 G224 D227 T415 | I71-C230 WeakPolarHBondContact CG2-O 3.34Å; M220-C230 PolarHBondContact O-SG 3.44Å; M220-C230 VanDerWaalsContact O-SG 3.36Å; G224-C230 VanDerWaalsContact CA-CB 3.45Å; D227-C230 VanDerWaalsContact O-CB 3.3Å; D227-C230 WeakPolarHBondContact O-CB 3.24Å; D227-C230 PolarHBondContact O-N 3.36Å; C230-T415 WeakPolarHBondContact CA-O 3.4Å; C230-T415 HydrophobicContact CB-CG2 4.4Å |
| 231 | E | 97.4 | Very high | 94.5 | Very high | 13 Ų | 13 | 21 Ų | 21 | 6% | 0.061 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 0.2 | -179.7 | -64 | 175.7 | 124.9 | 0 | 0 | 112.7 | R229 Y244 M245 R260 L403 K407 T414 T415 | R229-E231 PolarHBondContact O-N 2.79Å; E231-Y244 CarbonylContact O-C 3.51Å; E231-Y244 WeakPolarHBondContact O-CA 3.34Å; E231-Y244 WeakPolarHBondContact O-CB 3.3Å; E231-M245 PolarHBondContact O-N 3.28Å; E231-R260 IonicContact OE1-NH1 4Å; E231-R260 PolarHBondContact OE1-NH1 3.2Å; E231-L403 HydrophobicContact CB-CD1 4.2Å; E231-K407 WeakPolarHBondContact OE1-CE 3.36Å; E231-K407 IonicContact OE1-NZ 3.53Å; E231-K407 PolarHBondContact OE1-NZ 3Å; E231-K407 IonicContact OE2-NZ 2.65Å; E231-K407 PolarHBondContact OE2-NZ 3.23Å; E231-T414 PolarHBondContact OE2-OG1 3.28Å; E231-T415 PolarHBondContact N-O 2.98Å; E231-T415 VanDerWaalsContact N-O 3.13Å |
| 232 | V | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 133.4 | -178.9 | -173.1 | 0 | 0 | 0 | 0 | 109.1 | I234 C243 L396 I399 L403 V416 G417 | V232-I234 HydrophobicContact CG1-CD1 4.17Å; V232-I234 HydrophobicContact CG1-CG1 3.81Å; V232-C243 CarbonylContact C-O 3.07Å; V232-C243 VanDerWaalsContact CA-O 3.3Å; V232-C243 WeakPolarHBondContact CA-O 3.2Å; V232-C243 WeakPolarHBondContact CG1-O 3.5Å; V232-L396 HydrophobicContact CG1-CD1 4.07Å; V232-I399 HydrophobicContact CG1-CG2 4.49Å; V232-I399 HydrophobicContact CG2-CG2 4.02Å; V232-L403 HydrophobicContact CG2-CD1 3.61Å; V232-V416 HydrophobicContact CB-CB 4.44Å; V232-V416 HydrophobicContact CB-CG1 4.19Å; V232-V416 HydrophobicContact CB-CG2 4.1Å; V232-V416 HydrophobicContact CG1-CG1 4.12Å; V232-V416 HydrophobicContact CG2-CG2 4.38Å; V232-G417 PolarHBondContact O-N 2.88Å |
| 233 | G | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 130.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | A242 C243 G417 | G233-A242 CarbonylContact O-C 3.53Å; G233-A242 WeakPolarHBondContact O-CA 3.49Å; G233-C243 PolarHBondContact N-O 3.13Å; G233-C243 PolarHBondContact O-N 3.2Å; G233-G417 CarbonylContact C-O 3.52Å; G233-G417 WeakPolarHBondContact CA-O 3.29Å |
| 234 | I | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 136.5 | -178.8 | -52.5 | -178.6 | 0 | 0 | 0 | 110.2 | V232 I236 N241 A242 W267 L396 V416 G417 I418 D419 | V232-I234 HydrophobicContact CG1-CD1 4.17Å; V232-I234 HydrophobicContact CG1-CG1 3.81Å; I234-I236 HydrophobicContact CG2-CD1 4.11Å; I234-I236 HydrophobicContact CG2-CG1 3.71Å; I234-N241 WeakPolarHBondContact CA-O 3.43Å; I234-A242 HydrophobicContact CG1-CB 4.1Å; I234-W267 HydrophobicContact CD1-CH2 4.2Å; I234-W267 HydrophobicContact CG1-CH2 4.44Å; I234-W267 HydrophobicContact CG2-CH2 3.83Å; I234-W267 HydrophobicContact CG2-CZ2 3.73Å; I234-L396 HydrophobicContact CD1-CB 4.47Å; I234-L396 HydrophobicContact CD1-CD1 3.7Å; I234-L396 HydrophobicContact CD1-CD2 3.69Å; I234-L396 HydrophobicContact CD1-CG 4.15Å; I234-V416 HydrophobicContact CD1-CG1 3.38Å; I234-V416 HydrophobicContact CG1-CG1 3.74Å; I234-G417 PolarHBondContact N-O 2.94Å; I234-I418 HydrophobicContact CB-CG1 4.3Å; I234-I418 WeakPolarHBondContact O-CA 3.16Å; I234-D419 PolarHBondContact O-N 3.12Å |
| 235 | I | 98 | Very high | 95.5 | Very high | 13 Ų | 13 | 20.8 Ų | 20.8 | 7% | 0.067 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129 | 169.1 | -59.9 | -63.1 | 0 | 0 | 0 | 109.5 | D215 T216 T219 T240 N241 D419 | D215-I235 HydrophobicContact CB-CD1 4.14Å; D215-I235 HydrophobicContact CB-CG1 4.13Å; T216-I235 HydrophobicContact CG2-CB 4.19Å; T216-I235 HydrophobicContact CG2-CG1 3.65Å; T219-I235 WeakPolarHBondContact OG1-CD1 3.35Å; I235-T240 WeakPolarHBondContact O-CA 3.35Å; I235-T240 WeakPolarHBondContact O-CB 3.37Å; I235-T240 PolarHBondContact O-OG1 3.44Å; I235-N241 PolarHBondContact N-O 2.97Å; I235-N241 PolarHBondContact O-N 2.97Å; I235-D419 CarbonylContact C-O 3.37Å; I235-D419 WeakPolarHBondContact CA-O 3.17Å; I235-D419 HydrophobicContact CD1-CB 3.81Å |
| 236 | I | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 75.7 | 173.7 | -45 | 176.4 | 0 | 0 | 0 | 108.4 | I234 V392 I418 D419 G420 L422 Y423 Y429 L433 | I234-I236 HydrophobicContact CG2-CD1 4.11Å; I234-I236 HydrophobicContact CG2-CG1 3.71Å; I236-V392 HydrophobicContact CD1-CG1 3.83Å; I236-I418 HydrophobicContact CD1-CG2 4.5Å; I236-D419 PolarHBondContact N-O 3.02Å; I236-G420 CarbonylContact O-C 3.5Å; I236-G420 VanDerWaalsContact O-CA 3.24Å; I236-G420 WeakPolarHBondContact O-CA 3.41Å; I236-L422 HydrophobicContact CG2-CB 4.31Å; I236-L422 HydrophobicContact CG2-CD2 3.96Å; I236-L422 HydrophobicContact CG2-CG 4.24Å; I236-L422 WeakPolarHBondContact O-CB 3.33Å; I236-L422 PolarHBondContact O-N 2.82Å; I236-Y423 HydrophobicContact CD1-CD2 4.16Å; I236-Y423 PolarHBondContact O-N 3.04Å; I236-Y429 HydrophobicContact CD1-CE1 4.07Å; I236-Y429 HydrophobicContact CG2-CE1 3.83Å; I236-L433 HydrophobicContact CD1-CD2 3.69Å |
| 237 | G | 94.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 17 Ų | 17 | 3% | 0.031 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -134.8 | -127.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G239 G305 | G237-G239 VanDerWaalsContact C-N 3.29Å; G237-G239 CarbonylContact C-O 3.52Å; G237-G239 PolarHBondContact N-O 3.12Å; G237-G305 WeakPolarHBondContact O-CA 3.49Å; G237-G305 PolarHBondContact O-N 3.38Å |
| 238 | T | 92.6 | Very high | 96.5 | Very high | 18 Ų | 18 | 16.1 Ų | 16.1 | 11% | 0.11 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -57.9 | -45.2 | 172.1 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | S94 K179 S304 M306 | S94-T238 PolarHBondContact OG-OG1 3.1Å; S94-T238 VanDerWaalsContact OG-OG1 3.11Å; K179-T238 HydrophobicContact CB-CG2 4.27Å; K179-T238 HydrophobicContact CD-CG2 4.23Å; K179-T238 HydrophobicContact CG-CG2 4.26Å; T238-S304 VanDerWaalsContact O-CB 3.32Å; T238-S304 WeakPolarHBondContact O-CB 3.49Å; T238-S304 PolarHBondContact O-OG 3.26Å; T238-M306 HydrophobicContact CG2-CB 4.09Å; T238-M306 HydrophobicContact CG2-SD 4.26Å; T238-M306 WeakPolarHBondContact O-CB 3.27Å; T238-M306 PolarHBondContact O-N 3.41Å |
| 239 | G | 95.1 | Very high | 96.7 | Very high | 6 Ų | 6 | 18.6 Ų | 18.6 | 6% | 0.062 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -109 | -175.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G237 E300 | G237-G239 VanDerWaalsContact C-N 3.29Å; G237-G239 CarbonylContact C-O 3.52Å; G237-G239 PolarHBondContact N-O 3.12Å; G239-E300 WeakPolarHBondContact CA-OE2 3.41Å |
| 240 | T | 97.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.012 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 136 | 165 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | I235 W267 E300 I303 | I235-T240 WeakPolarHBondContact O-CA 3.35Å; I235-T240 WeakPolarHBondContact O-CB 3.37Å; I235-T240 PolarHBondContact O-OG1 3.44Å; T240-W267 VanDerWaalsContact O-CD1 3.3Å; T240-W267 PolarHBondContact O-NE1 3.17Å; T240-W267 PolarHBondContact OG1-NE1 3.2Å; T240-E300 HydrophobicContact CG2-CB 4.03Å; T240-E300 HydrophobicContact CG2-CG 4.06Å; T240-E300 PolarHBondContact N-OE2 3.25Å; T240-I303 HydrophobicContact CG2-CB 3.95Å; T240-I303 HydrophobicContact CG2-CD1 4.29Å; T240-I303 HydrophobicContact CG2-CG2 3.74Å |
| 241 | N | 98.3 | Very high | 96.8 | Very high | 10 Ų | 10 | 14.9 Ų | 14.9 | 5% | 0.053 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 164.5 | 176.6 | -166.4 | 20.5 | 0 | 0 | 0 | 110.7 | N214 T216 I234 I235 N264 T265 E266 W267 | N214-N241 PolarHBondContact OD1-ND2 2.92Å; T216-N241 VanDerWaalsContact CG2-C 3.43Å; T216-N241 HydrophobicContact CG2-CB 3.62Å; T216-N241 WeakPolarHBondContact CG2-O 3.34Å; I234-N241 WeakPolarHBondContact CA-O 3.43Å; I235-N241 PolarHBondContact N-O 2.97Å; I235-N241 PolarHBondContact O-N 2.97Å; N241-N264 PolarHBondContact ND2-OD1 2.77Å; N241-N264 PolarHBondContact OD1-OD1 3.02Å; N241-T265 PolarHBondContact OD1-OG1 3.09Å; N241-E266 PolarHBondContact ND2-OE1 3.32Å; N241-E266 WeakPolarHBondContact OD1-CA 3.36Å; N241-E266 PolarHBondContact OD1-N 2.68Å; N241-E266 VanDerWaalsContact OD1-N 3.11Å; N241-W267 VanDerWaalsContact C-CE2 3.49Å; N241-W267 VanDerWaalsContact N-NE1 3.14Å; N241-W267 PolarHBondContact OD1-N 3.32Å |
| 242 | A | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 150.1 | 168 | 0 | 0 | 0 | 0 | 0 | 112.6 | G233 I234 T265 W267 I399 | G233-A242 CarbonylContact O-C 3.53Å; G233-A242 WeakPolarHBondContact O-CA 3.49Å; I234-A242 HydrophobicContact CG1-CB 4.1Å; A242-T265 WeakPolarHBondContact O-CB 3.46Å; A242-T265 WeakPolarHBondContact O-CG2 3.39Å; A242-T265 PolarHBondContact O-N 2.77Å; A242-T265 PolarHBondContact O-OG1 3.19Å; A242-W267 HydrophobicContact CB-CD2 3.83Å; A242-W267 HydrophobicContact CB-CE3 3.52Å; A242-W267 HydrophobicContact CB-CH2 3.6Å; A242-W267 HydrophobicContact CB-CZ2 3.9Å; A242-W267 HydrophobicContact CB-CZ3 3.4Å; A242-W267 VanDerWaalsContact CB-CZ3 3.4Å; A242-I399 HydrophobicContact CB-CD1 3.84Å |
| 243 | C | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 158.4 | 165.5 | 73.2 | 0 | 0 | 0 | 0 | 110.3 | T216 V217 V232 G233 V263 | T216-C243 PolarHBondContact O-SG 3.13Å; T216-C243 VanDerWaalsContact O-SG 3.37Å; T216-C243 WeakPolarHBondContact OG1-CB 3.43Å; V217-C243 HydrophobicContact CG2-CB 4.14Å; V232-C243 CarbonylContact C-O 3.07Å; V232-C243 VanDerWaalsContact CA-O 3.3Å; V232-C243 WeakPolarHBondContact CA-O 3.2Å; V232-C243 WeakPolarHBondContact CG1-O 3.5Å; G233-C243 PolarHBondContact N-O 3.13Å; G233-C243 PolarHBondContact O-N 3.2Å; C243-V263 CarbonylContact C-O 3.08Å; C243-V263 WeakPolarHBondContact CA-O 3.48Å; C243-V263 VanDerWaalsContact CB-O 3.27Å; C243-V263 WeakPolarHBondContact CB-O 3.17Å |
| 244 | Y | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 163.8 | 172.9 | 73.7 | -79.8 | 0 | 0 | 0 | 112.4 | L47 M63 E231 E246 C262 V263 T265 I399 R402 L403 | L47-Y244 HydrophobicContact CD2-CE1 4.39Å; M63-Y244 HydrophobicContact CE-CE1 3.89Å; M63-Y244 WeakPolarHBondContact CE-OH 3.22Å; E231-Y244 CarbonylContact O-C 3.51Å; E231-Y244 WeakPolarHBondContact O-CA 3.34Å; E231-Y244 WeakPolarHBondContact O-CB 3.3Å; Y244-E246 HydrophobicContact CD2-CB 4.42Å; Y244-E246 HydrophobicContact CE2-CB 3.71Å; Y244-E246 HydrophobicContact CE2-CG 4.29Å; Y244-E246 WeakPolarHBondContact CE2-OE2 3.47Å; Y244-E246 PolarHBondContact O-N 2.98Å; Y244-E246 PolarHBondContact OH-OE2 2.97Å; Y244-C262 CarbonylContact O-C 3.54Å; Y244-C262 WeakPolarHBondContact O-CA 3.43Å; Y244-V263 PolarHBondContact N-O 3.45Å; Y244-V263 PolarHBondContact O-N 2.85Å; Y244-T265 HydrophobicContact CD1-CG2 4.01Å; Y244-T265 HydrophobicContact CE1-CG2 4Å; Y244-I399 HydrophobicContact CD1-CD1 4.45Å; Y244-I399 HydrophobicContact CD1-CG1 4.46Å; Y244-I399 HydrophobicContact CD1-CG2 3.87Å; Y244-I399 HydrophobicContact CD2-CG2 4.2Å; Y244-I399 HydrophobicContact CG-CG2 3.65Å; Y244-R402 HydrophobicContact CE2-CG 4.19Å; Y244-L403 HydrophobicContact CD2-CD2 3.9Å; Y244-L403 HydrophobicContact CD2-CG 4.19Å |
| 245 | M | 97.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 111.1 | 174.8 | -64.7 | -59.5 | -60.4 | 0 | 0 | 111.3 | R69 M220 E231 R260 C262 L403 | R69-M245 VanDerWaalsContact O-CE 3.29Å; R69-M245 WeakPolarHBondContact O-CE 3.48Å; M220-M245 HydrophobicContact CE-CG 4.25Å; M220-M245 HydrophobicContact CE-SD 3.68Å; M220-M245 HydrophobicContact SD-CG 4.13Å; M220-M245 HydrophobicContact SD-SD 4.3Å; E231-M245 PolarHBondContact O-N 3.28Å; M245-R260 HydrophobicContact CE-CB 3.64Å; M245-C262 HydrophobicContact SD-CB 3.74Å; M245-L403 VanDerWaalsContact O-CD2 3.24Å; M245-L403 WeakPolarHBondContact O-CD2 3.25Å |
| 246 | E | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 152.5 | 175.7 | -177.5 | 56.7 | -94.9 | 0 | 0 | 110.6 | L51 Y244 H250 I251 R260 M261 V263 R402 N406 | L51-E246 HydrophobicContact CD1-CG 4.07Å; L51-E246 HydrophobicContact CD2-CG 4.35Å; Y244-E246 HydrophobicContact CD2-CB 4.42Å; Y244-E246 HydrophobicContact CE2-CB 3.71Å; Y244-E246 HydrophobicContact CE2-CG 4.29Å; Y244-E246 WeakPolarHBondContact CE2-OE2 3.47Å; Y244-E246 PolarHBondContact O-N 2.98Å; Y244-E246 PolarHBondContact OH-OE2 2.97Å; E246-H250 HydrophobicContact CG-CB 4.19Å; E246-H250 IonicContact OE1-CE1 2.93Å; E246-H250 IonicContact OE1-CG 3.15Å; E246-H250 IonicContact OE1-ND1 2.72Å; E246-H250 PolarHBondContact OE1-ND1 3.38Å; E246-I251 HydrophobicContact CB-CD1 4.18Å; E246-I251 HydrophobicContact CB-CG1 4.4Å; E246-I251 HydrophobicContact CG-CD1 4.23Å; E246-I251 HydrophobicContact CG-CG1 3.9Å; E246-R260 CarbonylContact O-C 3.57Å; E246-R260 WeakPolarHBondContact O-CA 3.49Å; E246-R260 VanDerWaalsContact O-CB 3.26Å; E246-R260 WeakPolarHBondContact O-CB 3.25Å; E246-M261 PolarHBondContact N-O 2.84Å; E246-M261 PolarHBondContact O-N 3.43Å; E246-V263 HydrophobicContact CB-CG2 3.77Å; E246-V263 HydrophobicContact CG-CG2 4.44Å; E246-R402 IonicContact OE1-NE 3.48Å; E246-R402 IonicContact OE1-NH2 2.72Å; E246-R402 IonicContact OE2-CZ 3.97Å; E246-R402 IonicContact OE2-NE 3.07Å; E246-R402 PolarHBondContact OE2-NE 2.96Å; E246-R402 IonicContact OE2-NH2 2.99Å; E246-R402 PolarHBondContact OE2-NH2 3.2Å; E246-N406 PolarHBondContact OE1-ND2 3.09Å |
| 247 | E | 95.8 | Very high | 93.9 | Very high | 42 Ų | 42 | 33.6 Ų | 33.6 | 20% | 0.196 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 133.3 | 174.4 | -59.7 | -62.4 | 141.7 | 0 | 0 | 109.8 | R249 H250 R260 N406 | E247-R249 HydrophobicContact CB-CG 4Å; E247-R249 PolarHBondContact O-N 2.95Å; E247-H250 WeakPolarHBondContact O-CB 3.19Å; E247-H250 PolarHBondContact O-N 2.99Å; E247-R260 VanDerWaalsContact OE1-CD 3.3Å; E247-R260 WeakPolarHBondContact OE1-CD 3.39Å; E247-N406 HydrophobicContact CG-CB 4.02Å |
| 248 | L | 92.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -59.5 | -35.9 | -173.4 | -164.5 | 67 | 0 | 0 | 0 | 112 | H250 I251 V254 E258 G259 M261 | L248-H250 PolarHBondContact O-N 3.26Å; L248-I251 HydrophobicContact CD1-CD1 4.29Å; L248-I251 PolarHBondContact O-N 3.17Å; L248-V254 HydrophobicContact CD1-CB 4.41Å; L248-V254 HydrophobicContact CD1-CG1 4.03Å; L248-E258 WeakPolarHBondContact CB-O 3.24Å; L248-E258 WeakPolarHBondContact CD2-O 3.45Å; L248-G259 PolarHBondContact N-O 3.37Å; L248-M261 HydrophobicContact CD1-CB 4.08Å; L248-M261 HydrophobicContact CD1-CE 3.94Å |
| 249 | R | 93.5 | Very high | 93.1 | Very high | 147 Ų | 147 | 38 Ų | 38 | 56% | 0.555 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -58.9 | -12 | 174 | 69.5 | 176.1 | -176.6 | -152.6 | -6.7 | 115.7 | E247 D257 | E247-R249 HydrophobicContact CB-CG 4Å; E247-R249 PolarHBondContact O-N 2.95Å; R249-D257 HydrophobicContact CB-CB 4.24Å |
| 250 | H | 96.3 | Very high | 93 | Very high | 50 Ų | 50 | 41.5 Ų | 41.5 | 23% | 0.231 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -104.5 | 3.4 | 176.4 | -58.4 | 151 | 0 | 0 | 0 | 112.6 | L51 E246 E247 L248 R402 N406 | L51-H250 WeakPolarHBondContact CB-O 3.41Å; E246-H250 HydrophobicContact CG-CB 4.19Å; E246-H250 IonicContact OE1-CE1 2.93Å; E246-H250 IonicContact OE1-CG 3.15Å; E246-H250 IonicContact OE1-ND1 2.72Å; E246-H250 PolarHBondContact OE1-ND1 3.38Å; E247-H250 WeakPolarHBondContact O-CB 3.19Å; E247-H250 PolarHBondContact O-N 2.99Å; L248-H250 PolarHBondContact O-N 3.26Å; H250-R402 PolarHBondContact ND1-NH2 3.07Å; H250-N406 PolarHBondContact CE1-OD1 3.15Å; H250-N406 PolarHBondContact ND1-OD1 3.22Å |
| 251 | I | 95.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | trans | -109.9 | 82.4 | -177.3 | -50 | 175.5 | 0 | 0 | 0 | 108.3 | L51 P65 E246 L248 L253 V254 M261 V263 | L51-I251 HydrophobicContact CD2-CG1 4.12Å; P65-I251 HydrophobicContact CG-CG2 4.2Å; E246-I251 HydrophobicContact CB-CD1 4.18Å; E246-I251 HydrophobicContact CB-CG1 4.4Å; E246-I251 HydrophobicContact CG-CD1 4.23Å; E246-I251 HydrophobicContact CG-CG1 3.9Å; L248-I251 HydrophobicContact CD1-CD1 4.29Å; L248-I251 PolarHBondContact O-N 3.17Å; I251-L253 PolarHBondContact O-N 3.41Å; I251-V254 HydrophobicContact CG2-CB 4.15Å; I251-V254 HydrophobicContact CG2-CG2 3.82Å; I251-V254 PolarHBondContact O-N 3.03Å; I251-V254 VanDerWaalsContact O-O 3.14Å; I251-M261 HydrophobicContact CD1-CB 3.81Å; I251-V263 HydrophobicContact CD1-CG2 3.65Å; I251-V263 HydrophobicContact CG1-CG2 4.25Å | ||
| 252 | D | 93.9 | Very high | 92.9 | Very high | 104 Ų | 104 | 41 Ų | 41 | 56% | 0.556 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22.8 | -174.2 | -63.4 | -5 | 0 | 0 | 0 | 113.6 | L51 G52 G53 V254 | L51-D252 PolarHBondContact O-N 3.43Å; G52-D252 WeakPolarHBondContact CA-OD2 3.46Å; G53-D252 VanDerWaalsContact N-CB 3.35Å; G53-D252 PolarHBondContact N-OD2 3.17Å; D252-V254 VanDerWaalsContact C-N 3.26Å; D252-V254 PolarHBondContact O-N 3.23Å |
| 253 | L | 91.1 | Very high | 92.9 | Very high | 80 Ų | 80 | 41 Ų | 41 | 42% | 0.419 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -7.1 | -179.5 | -58.3 | 175.3 | 0 | 0 | 0 | 113.9 | N56 P65 I251 | N56-L253 HydrophobicContact CB-CD1 4.07Å; N56-L253 HydrophobicContact CB-CD2 4.36Å; P65-L253 HydrophobicContact CG-CB 4.48Å; I251-L253 PolarHBondContact O-N 3.41Å |
| 254 | V | 89.9 | Confident | 92.9 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 11% | 0.109 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -125 | 127.3 | 179.8 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | P65 L248 I251 D252 G256 M261 | P65-V254 HydrophobicContact CB-CG2 3.65Å; P65-V254 HydrophobicContact CG-CG2 3.62Å; L248-V254 HydrophobicContact CD1-CB 4.41Å; L248-V254 HydrophobicContact CD1-CG1 4.03Å; I251-V254 HydrophobicContact CG2-CB 4.15Å; I251-V254 HydrophobicContact CG2-CG2 3.82Å; I251-V254 PolarHBondContact O-N 3.03Å; I251-V254 VanDerWaalsContact O-O 3.14Å; D252-V254 VanDerWaalsContact C-N 3.26Å; D252-V254 PolarHBondContact O-N 3.23Å; V254-G256 PolarHBondContact O-N 3.43Å; V254-M261 HydrophobicContact CG1-CE 3.95Å; V254-M261 HydrophobicContact CG2-SD 4.33Å |
| 255 | E | 84.2 | Confident | 92.8 | Very high | 138 Ų | 138 | 41.3 Ų | 41.3 | 65% | 0.645 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -69.5 | 124.3 | 176.3 | -167.8 | 177.1 | 175.4 | 0 | 0 | 110.8 | ||
| 256 | G | 81.9 | Confident | 92.8 | Very high | 17 Ų | 17 | 41.8 Ų | 41.8 | 18% | 0.175 | 21% | 0.212 | C | C | . | . | trans | 135.9 | 157.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V254 | V254-G256 PolarHBondContact O-N 3.43Š| ||
| 257 | D | 86.5 | Confident | 92.9 | Very high | 63 Ų | 63 | 41.8 Ų | 41.8 | 34% | 0.337 | 21% | 0.212 | S | C | . | . | trans | -129.1 | -4.1 | -177.5 | 60.4 | -11.2 | 0 | 0 | 0 | 112.9 | R249 R806 | R249-D257 HydrophobicContact CB-CB 4.24Å; D257-R806 IonicContact OD1-CZ 2.7Å; D257-R806 IonicContact OD1-NH1 2.84Å; D257-R806 PolarHBondContact OD1-NH1 3.38Å; D257-R806 IonicContact OD1-NH2 3.84Å; D257-R806 PolarHBondContact OD1-NH2 3.09Å; D257-R806 IonicContact OD2-CZ 2.7Å; D257-R806 IonicContact OD2-NH1 3.99Å; D257-R806 IonicContact OD2-NH2 2.64Å; D257-R806 PolarHBondContact OD2-NH2 2.99Å | ||
| 258 | E | 82.9 | Confident | 92.9 | Very high | 63 Ų | 63 | 39.8 Ų | 39.8 | 29% | 0.294 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -97.3 | 135.5 | -175 | -80 | 174.3 | -170.6 | 0 | 0 | 113.7 | L248 R806 T817 C818 | L248-E258 WeakPolarHBondContact CB-O 3.24Å; L248-E258 WeakPolarHBondContact CD2-O 3.45Å; E258-R806 WeakPolarHBondContact OE1-CD 3.28Å; E258-R806 IonicContact OE1-CZ 3.95Å; E258-R806 VanDerWaalsContact OE1-CZ 3.29Å; E258-R806 IonicContact OE1-NE 3.09Å; E258-R806 PolarHBondContact OE1-NE 3.5Å; E258-R806 IonicContact OE1-NH1 2.77Å; E258-R806 PolarHBondContact OE1-NH1 3.37Å; E258-R806 IonicContact OE2-NH1 3.35Å; E258-T817 VanDerWaalsContact OE2-CA 3.25Å; E258-T817 WeakPolarHBondContact OE2-CA 3.36Å; E258-T817 VanDerWaalsContact OE2-CB 3.32Å; E258-T817 WeakPolarHBondContact OE2-CB 3.3Å; E258-C818 PolarHBondContact OE2-N 3.19Å |
| 259 | G | 88.1 | Confident | 93.1 | Very high | 49 Ų | 49 | 40 Ų | 40 | 51% | 0.505 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 70.7 | -151.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L248 | L248-G259 PolarHBondContact N-O 3.37Š|
| 260 | R | 92.4 | Very high | 93.3 | Very high | 81 Ų | 81 | 33 Ų | 33 | 31% | 0.306 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 159.9 | -170.6 | -61.7 | -178.1 | -65 | 171.4 | 0.2 | 110.3 | R69 E231 M245 E246 E247 | R69-R260 CarbonylContact C-O 3.57Å; R69-R260 VanDerWaalsContact CA-O 3.26Å; R69-R260 WeakPolarHBondContact CA-O 3.29Å; R69-R260 WeakPolarHBondContact CB-O 3.41Å; R69-R260 VanDerWaalsContact O-O 3.06Å; E231-R260 IonicContact OE1-NH1 4Å; E231-R260 PolarHBondContact OE1-NH1 3.2Å; M245-R260 HydrophobicContact CE-CB 3.64Å; E246-R260 CarbonylContact O-C 3.57Å; E246-R260 WeakPolarHBondContact O-CA 3.49Å; E246-R260 VanDerWaalsContact O-CB 3.26Å; E246-R260 WeakPolarHBondContact O-CB 3.25Å; E247-R260 VanDerWaalsContact OE1-CD 3.3Å; E247-R260 WeakPolarHBondContact OE1-CD 3.39Å |
| 261 | M | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 140.8 | 169.5 | -173.9 | 179.2 | -66.9 | 0 | 0 | 109.5 | P65 F67 R69 E246 L248 I251 V254 V263 | P65-M261 HydrophobicContact CB-SD 3.83Å; F67-M261 HydrophobicContact CD1-CE 4.24Å; F67-M261 PolarHBondContact N-SD 3.19Å; R69-M261 HydrophobicContact CG-CE 4.29Å; E246-M261 PolarHBondContact N-O 2.84Å; E246-M261 PolarHBondContact O-N 3.43Å; L248-M261 HydrophobicContact CD1-CB 4.08Å; L248-M261 HydrophobicContact CD1-CE 3.94Å; I251-M261 HydrophobicContact CD1-CB 3.81Å; V254-M261 HydrophobicContact CG1-CE 3.95Å; V254-M261 HydrophobicContact CG2-SD 4.33Å; M261-V263 PolarHBondContact O-N 3.32Å |
| 262 | C | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 128.6 | 170 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | T66 V68 M220 Y244 M245 | T66-C262 WeakPolarHBondContact CB-O 3.28Å; T66-C262 VanDerWaalsContact CG2-O 3.28Å; T66-C262 WeakPolarHBondContact CG2-O 3.43Å; T66-C262 PolarHBondContact N-O 3.33Å; T66-C262 WeakPolarHBondContact OG1-CB 3.45Å; T66-C262 PolarHBondContact OG1-O 3.12Å; V68-C262 HydrophobicContact CB-CB 4.16Å; V68-C262 PolarHBondContact O-N 3.35Å; M220-C262 HydrophobicContact CE-CB 3.79Å; M220-C262 WeakPolarHBondContact CE-SG 3.28Å; Y244-C262 CarbonylContact O-C 3.54Å; Y244-C262 WeakPolarHBondContact O-CA 3.43Å; M245-C262 HydrophobicContact SD-CB 3.74Å |
| 263 | V | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 128 | 176.4 | 176.4 | 0 | 0 | 0 | 0 | 108.3 | L51 M63 C243 Y244 E246 I251 M261 | L51-V263 HydrophobicContact CD2-CG1 4.3Å; L51-V263 HydrophobicContact CD2-CG2 4.26Å; M63-V263 VanDerWaalsContact C-CG1 3.41Å; M63-V263 HydrophobicContact CB-CG1 3.89Å; M63-V263 HydrophobicContact CE-CG1 3.87Å; M63-V263 HydrophobicContact SD-CG1 4.32Å; C243-V263 CarbonylContact C-O 3.08Å; C243-V263 WeakPolarHBondContact CA-O 3.48Å; C243-V263 VanDerWaalsContact CB-O 3.27Å; C243-V263 WeakPolarHBondContact CB-O 3.17Å; Y244-V263 PolarHBondContact N-O 3.45Å; Y244-V263 PolarHBondContact O-N 2.85Å; E246-V263 HydrophobicContact CB-CG2 3.77Å; E246-V263 HydrophobicContact CG-CG2 4.44Å; I251-V263 HydrophobicContact CD1-CG2 3.65Å; I251-V263 HydrophobicContact CG1-CG2 4.25Å; M261-V263 PolarHBondContact O-N 3.32Å |
| 264 | N | 98.4 | Very high | 93.7 | Very high | 7 Ų | 7 | 28.8 Ų | 28.8 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 114.5 | 171.8 | 173.9 | 8.6 | 0 | 0 | 0 | 109.1 | M63 L64 T66 N241 E266 | M63-N264 CarbonylContact C-O 3.45Å; M63-N264 WeakPolarHBondContact CA-O 3.49Å; L64-N264 HydrophobicContact CB-CB 4.33Å; L64-N264 PolarHBondContact N-O 3.22Å; L64-N264 PolarHBondContact O-N 3.22Å; T66-N264 HydrophobicContact CG2-CB 3.87Å; N241-N264 PolarHBondContact ND2-OD1 2.77Å; N241-N264 PolarHBondContact OD1-OD1 3.02Å; N264-E266 VanDerWaalsContact C-N 3.32Å; N264-E266 PolarHBondContact ND2-OE1 3.1Å; N264-E266 PolarHBondContact O-N 3.23Å; N264-E266 PolarHBondContact OD1-N 2.76Å; N264-E266 VanDerWaalsContact OD1-N 3.17Å; N264-E266 PolarHBondContact OD1-OE1 2.97Å |
| 265 | T | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -70 | -29.8 | -173.5 | 63.8 | 0 | 0 | 0 | 0 | 113.3 | L47 K62 M63 N241 A242 Y244 W267 I399 | L47-T265 HydrophobicContact CD2-CG2 4.07Å; K62-T265 PolarHBondContact N-O 3.02Å; M63-T265 HydrophobicContact SD-CG2 3.95Å; N241-T265 PolarHBondContact OD1-OG1 3.09Å; A242-T265 WeakPolarHBondContact O-CB 3.46Å; A242-T265 WeakPolarHBondContact O-CG2 3.39Å; A242-T265 PolarHBondContact O-N 2.77Å; A242-T265 PolarHBondContact O-OG1 3.19Å; Y244-T265 HydrophobicContact CD1-CG2 4.01Å; Y244-T265 HydrophobicContact CE1-CG2 4Å; T265-W267 PolarHBondContact O-N 3.02Å; T265-W267 WeakPolarHBondContact OG1-CB 3.47Å; T265-W267 PolarHBondContact OG1-N 2.97Å; T265-I399 HydrophobicContact CG2-CD1 4.27Å | ||
| 266 | E | 97.8 | Very high | 94.5 | Very high | 12 Ų | 12 | 23.2 Ų | 23.2 | 6% | 0.056 | 14% | 0.143 | C | C | . | . | trans | 49.9 | 46.3 | -165.8 | -69.1 | -63.9 | 153 | 0 | 0 | 111.8 | K62 L64 P163 N241 N264 G268 A269 | K62-E266 HydrophobicContact CB-CB 4.32Å; L64-E266 HydrophobicContact CD1-CG 3.68Å; L64-E266 HydrophobicContact CG-CG 4.41Å; P163-E266 WeakPolarHBondContact CA-OE1 3.46Å; P163-E266 HydrophobicContact CB-CG 3.9Å; N241-E266 PolarHBondContact ND2-OE1 3.32Å; N241-E266 WeakPolarHBondContact OD1-CA 3.36Å; N241-E266 PolarHBondContact OD1-N 2.68Å; N241-E266 VanDerWaalsContact OD1-N 3.11Å; N264-E266 VanDerWaalsContact C-N 3.32Å; N264-E266 PolarHBondContact ND2-OE1 3.1Å; N264-E266 PolarHBondContact O-N 3.23Å; N264-E266 PolarHBondContact OD1-N 2.76Å; N264-E266 VanDerWaalsContact OD1-N 3.17Å; N264-E266 PolarHBondContact OD1-OE1 2.97Å; E266-G268 PolarHBondContact O-N 3.25Å; E266-A269 PolarHBondContact O-N 2.93Å | ||
| 267 | W | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -63.1 | -10.6 | -171.3 | 72.7 | 14.8 | 0 | 0 | 0 | 115.4 | F43 L61 I234 T240 N241 A242 T265 A269 F270 F299 V392 A395 I399 | F43-W267 HydrophobicContact CE2-CB 3.75Å; F43-W267 HydrophobicContact CE2-CE3 4.44Å; F43-W267 HydrophobicContact CZ-CB 3.94Å; F43-W267 AromaticContact CZ-CE3 3.93Å; F43-W267 HydrophobicContact CZ-CE3 3.93Å; L61-W267 VanDerWaalsContact CD2-CA 3.5Å; L61-W267 HydrophobicContact CD2-CB 4.08Å; I234-W267 HydrophobicContact CD1-CH2 4.2Å; I234-W267 HydrophobicContact CG1-CH2 4.44Å; I234-W267 HydrophobicContact CG2-CH2 3.83Å; I234-W267 HydrophobicContact CG2-CZ2 3.73Å; T240-W267 VanDerWaalsContact O-CD1 3.3Å; T240-W267 PolarHBondContact O-NE1 3.17Å; T240-W267 PolarHBondContact OG1-NE1 3.2Å; N241-W267 VanDerWaalsContact C-CE2 3.49Å; N241-W267 VanDerWaalsContact N-NE1 3.14Å; N241-W267 PolarHBondContact OD1-N 3.32Å; A242-W267 HydrophobicContact CB-CD2 3.83Å; A242-W267 HydrophobicContact CB-CE3 3.52Å; A242-W267 HydrophobicContact CB-CH2 3.6Å; A242-W267 HydrophobicContact CB-CZ2 3.9Å; A242-W267 HydrophobicContact CB-CZ3 3.4Å; A242-W267 VanDerWaalsContact CB-CZ3 3.4Å; T265-W267 PolarHBondContact O-N 3.02Å; T265-W267 WeakPolarHBondContact OG1-CB 3.47Å; T265-W267 PolarHBondContact OG1-N 2.97Å; W267-A269 PolarHBondContact O-N 3.44Å; W267-F270 VanDerWaalsContact O-CB 3.23Å; W267-F270 WeakPolarHBondContact O-CB 3.49Å; W267-F270 PolarHBondContact O-N 2.67Å; W267-F299 HydrophobicContact CG-CE1 4.48Å; W267-F299 VanDerWaalsContact O-CD1 3.31Å; W267-F299 WeakPolarHBondContact O-CD1 3.25Å; W267-V392 HydrophobicContact CH2-CG1 3.92Å; W267-V392 HydrophobicContact CZ2-CG1 4.12Å; W267-A395 HydrophobicContact CD2-CB 4.46Å; W267-A395 HydrophobicContact CE3-CB 3.69Å; W267-A395 HydrophobicContact CZ3-CB 3.75Å; W267-I399 HydrophobicContact CE3-CD1 4.15Å; W267-I399 HydrophobicContact CZ3-CD1 3.97Å |
| 268 | G | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -62.6 | -30.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E266 F270 Q297 L298 F299 E300 | E266-G268 PolarHBondContact O-N 3.25Å; G268-F270 VanDerWaalsContact C-N 3.29Å; G268-F270 PolarHBondContact O-N 2.81Å; G268-Q297 CarbonylContact O-C 3.5Å; G268-Q297 WeakPolarHBondContact O-CA 3.46Å; G268-L298 PolarHBondContact O-N 2.57Å; G268-F299 PolarHBondContact O-N 3.35Å; G268-E300 PolarHBondContact O-N 3.46Å; G268-E300 VanDerWaalsContact O-N 3.12Å |
| 269 | A | 96.9 | Very high | 96.3 | Very high | 9 Ų | 9 | 26.2 Ų | 26.2 | 7% | 0.074 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -81.3 | 0.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E266 W267 G271 D272 | E266-A269 PolarHBondContact O-N 2.93Å; W267-A269 PolarHBondContact O-N 3.44Å; A269-G271 PolarHBondContact O-N 2.84Å; A269-D272 WeakPolarHBondContact O-CB 3.02Å; A269-D272 PolarHBondContact O-N 2.86Å |
| 270 | F | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 130.8 | 176.7 | -178.9 | -144.6 | 0 | 0 | 0 | 110.1 | I39 R42 F43 E46 L61 W267 G268 D272 L276 F299 | I39-F270 HydrophobicContact CG2-CE1 4.12Å; R42-F270 HydrophobicContact CB-CE2 4.45Å; R42-F270 HydrophobicContact CB-CZ 3.91Å; F43-F270 HydrophobicContact CB-CE1 3.92Å; F43-F270 HydrophobicContact CB-CZ 3.94Å; F43-F270 AromaticContact CD2-CD1 3.6Å; F43-F270 HydrophobicContact CD2-CD1 3.6Å; F43-F270 HydrophobicContact CD2-CD2 4.37Å; F43-F270 AromaticContact CD2-CE1 3.75Å; F43-F270 HydrophobicContact CD2-CE1 3.75Å; F43-F270 AromaticContact CD2-CG 3.94Å; F43-F270 HydrophobicContact CD2-CG 3.94Å; F43-F270 HydrophobicContact CD2-CZ 4.23Å; F43-F270 HydrophobicContact CE2-CD1 4.3Å; F43-F270 HydrophobicContact CE2-CG 4.43Å; F43-F270 HydrophobicContact CG-CE1 4.34Å; E46-F270 HydrophobicContact CG-CD2 4.09Å; E46-F270 HydrophobicContact CG-CE2 3.87Å; L61-F270 HydrophobicContact CD2-CB 3.99Å; W267-F270 VanDerWaalsContact O-CB 3.23Å; W267-F270 WeakPolarHBondContact O-CB 3.49Å; W267-F270 PolarHBondContact O-N 2.67Å; G268-F270 VanDerWaalsContact C-N 3.29Å; G268-F270 PolarHBondContact O-N 2.81Å; F270-D272 VanDerWaalsContact C-N 3.34Å; F270-L276 HydrophobicContact CD1-CD1 3.73Å; F270-L276 HydrophobicContact CD1-CD2 4.5Å; F270-L276 HydrophobicContact CD2-CD1 4.48Å; F270-L276 HydrophobicContact CE1-CD1 3.93Å; F270-L276 HydrophobicContact CE1-CD2 3.86Å; F270-L276 HydrophobicContact CE1-CG 4.35Å; F270-L276 HydrophobicContact CE2-CD2 4.35Å; F270-L276 HydrophobicContact CG-CD1 4.02Å; F270-L276 HydrophobicContact CZ-CD1 4.37Å; F270-L276 HydrophobicContact CZ-CD2 3.76Å; F270-L276 HydrophobicContact CZ-CG 4.33Å; F270-F299 HydrophobicContact CB-CB 3.84Å; F270-F299 HydrophobicContact CB-CD1 4.33Å; F270-F299 HydrophobicContact CB-CG 4.04Å; F270-F299 HydrophobicContact CD1-CD1 4.45Å; F270-F299 AromaticContact CD1-CD2 3.77Å; F270-F299 HydrophobicContact CD1-CD2 3.77Å; F270-F299 AromaticContact CD1-CE2 3.9Å; F270-F299 HydrophobicContact CD1-CE2 3.9Å; F270-F299 HydrophobicContact CD1-CG 4.06Å; F270-F299 HydrophobicContact CD1-CZ 4.31Å; F270-F299 HydrophobicContact CE1-CE2 4.38Å; F270-F299 WeakPolarHBondContact O-CB 3.31Å; F270-F299 PolarHBondContact O-N 2.87Å |
| 271 | G | 97 | Very high | 97 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | -3.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | A269 D273 G274 S275 | A269-G271 PolarHBondContact O-N 2.84Å; G271-D273 PolarHBondContact O-N 3.36Å; G271-D273 VanDerWaalsContact O-N 3.09Å; G271-G274 PolarHBondContact O-N 3.31Å; G271-S275 WeakPolarHBondContact CA-OG 3.24Å |
| 272 | D | 96.8 | Very high | 97.1 | Very high | 34 Ų | 34 | 27.5 Ų | 27.5 | 18% | 0.182 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -17.2 | 175.3 | -78.6 | 10.4 | 0 | 0 | 0 | 113.2 | A269 F270 G274 K296 Q297 L298 | A269-D272 WeakPolarHBondContact O-CB 3.02Å; A269-D272 PolarHBondContact O-N 2.86Å; F270-D272 VanDerWaalsContact C-N 3.34Å; D272-G274 VanDerWaalsContact C-N 3.35Å; D272-K296 VanDerWaalsContact OD2-CA 3.28Å; D272-K296 WeakPolarHBondContact OD2-CA 3.47Å; D272-K296 WeakPolarHBondContact OD2-CD 3.43Å; D272-Q297 PolarHBondContact OD1-N 2.82Å; D272-Q297 PolarHBondContact OD2-N 2.9Å; D272-L298 WeakPolarHBondContact OD1-CG 3.09Å; D272-L298 PolarHBondContact OD1-N 3.43Å |
| 273 | D | 95.1 | Very high | 97.1 | Very high | 81 Ų | 81 | 28 Ų | 28 | 43% | 0.433 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 2 | 174.4 | 67.4 | -15.4 | 0 | 0 | 0 | 113.7 | R49 G271 S275 | R49-D273 IonicContact NH1-OD2 3.69Å; G271-D273 PolarHBondContact O-N 3.36Å; G271-D273 VanDerWaalsContact O-N 3.09Å; D273-S275 WeakPolarHBondContact OD1-CB 3.35Å; D273-S275 PolarHBondContact OD1-N 3.4Å; D273-S275 VanDerWaalsContact OD1-N 3.08Å; D273-S275 PolarHBondContact OD1-OG 2.85Å |
| 274 | G | 95.7 | Very high | 97.1 | Very high | 33 Ų | 33 | 28.1 Ų | 28.1 | 34% | 0.34 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.4 | 1.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G271 D272 L276 E277 | G271-G274 PolarHBondContact O-N 3.31Å; D272-G274 VanDerWaalsContact C-N 3.35Å; G274-L276 PolarHBondContact O-N 3.08Å; G274-E277 WeakPolarHBondContact O-CG 3.49Å; G274-E277 PolarHBondContact O-N 2.91Å |
| 275 | S | 94.9 | Very high | 97 | Very high | 35 Ų | 35 | 30.2 Ų | 30.2 | 25% | 0.245 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -6.6 | -177.4 | 57.6 | 0 | 0 | 0 | 0 | 115.5 | R42 G271 D273 | R42-S275 PolarHBondContact NH1-O 3.47Å; G271-S275 WeakPolarHBondContact CA-OG 3.24Å; D273-S275 WeakPolarHBondContact OD1-CB 3.35Å; D273-S275 PolarHBondContact OD1-N 3.4Å; D273-S275 VanDerWaalsContact OD1-N 3.08Å; D273-S275 PolarHBondContact OD1-OG 2.85Å |
| 276 | L | 96.9 | Very high | 97 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | 10.3 | 177.4 | -60.1 | -179.8 | 0 | 0 | 0 | 113.7 | F270 G274 D278 L279 R280 F299 M302 | F270-L276 HydrophobicContact CD1-CD1 3.73Å; F270-L276 HydrophobicContact CD1-CD2 4.5Å; F270-L276 HydrophobicContact CD2-CD1 4.48Å; F270-L276 HydrophobicContact CE1-CD1 3.93Å; F270-L276 HydrophobicContact CE1-CD2 3.86Å; F270-L276 HydrophobicContact CE1-CG 4.35Å; F270-L276 HydrophobicContact CE2-CD2 4.35Å; F270-L276 HydrophobicContact CG-CD1 4.02Å; F270-L276 HydrophobicContact CZ-CD1 4.37Å; F270-L276 HydrophobicContact CZ-CD2 3.76Å; F270-L276 HydrophobicContact CZ-CG 4.33Å; G274-L276 PolarHBondContact O-N 3.08Å; L276-D278 PolarHBondContact O-N 3.09Å; L276-L279 HydrophobicContact CD2-CD1 3.84Å; L276-L279 PolarHBondContact O-N 2.93Å; L276-R280 WeakPolarHBondContact O-CG 3.4Å; L276-R280 PolarHBondContact O-N 3.04Å; L276-F299 HydrophobicContact CD1-CB 4.37Å; L276-F299 HydrophobicContact CD1-CD2 3.81Å; L276-M302 HydrophobicContact CD1-CE 4.14Å |
| 277 | E | 96.6 | Very high | 96.9 | Very high | 86 Ų | 86 | 34.9 Ų | 34.9 | 40% | 0.402 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -30.4 | -176.3 | -71.9 | -58.1 | 128.7 | 0 | 0 | 113.4 | G274 L279 R280 | G274-E277 WeakPolarHBondContact O-CG 3.49Å; G274-E277 PolarHBondContact O-N 2.91Å; E277-L279 PolarHBondContact O-N 2.88Å; E277-R280 PolarHBondContact O-N 2.87Å; E277-R280 WeakPolarHBondContact OE1-CD 3.38Å; E277-R280 IonicContact OE1-CZ 2.72Å; E277-R280 IonicContact OE1-NE 2.77Å; E277-R280 IonicContact OE1-NH1 3.29Å; E277-R280 PolarHBondContact OE1-NH1 2.81Å; E277-R280 IonicContact OE2-NH1 2.8Å; E277-R280 PolarHBondContact OE2-NH1 3.47Å |
| 278 | D | 95.9 | Very high | 96.9 | Very high | 103 Ų | 103 | 35.6 Ų | 35.6 | 55% | 0.551 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18.5 | 175.4 | 61.8 | -48.4 | 0 | 0 | 0 | 113.7 | R42 L276 | R42-D278 IonicContact CZ-OD1 3.55Å; R42-D278 IonicContact CZ-OD2 3.75Å; R42-D278 IonicContact NH1-OD1 3.56Å; R42-D278 PolarHBondContact NH1-OD1 3.07Å; R42-D278 IonicContact NH1-OD2 3.68Å; R42-D278 PolarHBondContact NH1-OD2 3.16Å; R42-D278 IonicContact NH2-OD1 2.83Å; R42-D278 IonicContact NH2-OD2 3.92Å; R42-D278 PolarHBondContact NH2-OD2 3.07Å; L276-D278 PolarHBondContact O-N 3.09Å |
| 279 | L | 95.4 | Very high | 96.8 | Very high | 18 Ų | 18 | 44.8 Ų | 44.8 | 9% | 0.094 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | -17.6 | -179 | -58.6 | 170.2 | 0 | 0 | 0 | 112.7 | F31 T35 I39 L276 E277 | F31-L279 HydrophobicContact CE1-CD2 4.2Å; F31-L279 HydrophobicContact CZ-CB 4.35Å; T35-L279 HydrophobicContact CG2-CD2 3.6Å; I39-L279 HydrophobicContact CD1-CD1 3.58Å; I39-L279 HydrophobicContact CG1-CD1 3.43Å; I39-L279 VanDerWaalsContact CG1-CD1 3.43Å; L276-L279 HydrophobicContact CD2-CD1 3.84Å; L276-L279 PolarHBondContact O-N 2.93Å; E277-L279 PolarHBondContact O-N 2.88Å |
| 280 | R | 97.5 | Very high | 96.6 | Very high | 30 Ų | 30 | 46.3 Ų | 46.3 | 11% | 0.113 | 24% | 0.241 | C | C | . | . | trans | -77.9 | 139.4 | 178.1 | -71.2 | -179.1 | 70 | -153.5 | 3.3 | 110.4 | L276 E277 D284 D288 M302 | L276-R280 WeakPolarHBondContact O-CG 3.4Å; L276-R280 PolarHBondContact O-N 3.04Å; E277-R280 PolarHBondContact O-N 2.87Å; E277-R280 WeakPolarHBondContact OE1-CD 3.38Å; E277-R280 IonicContact OE1-CZ 2.72Å; E277-R280 IonicContact OE1-NE 2.77Å; E277-R280 IonicContact OE1-NH1 3.29Å; E277-R280 PolarHBondContact OE1-NH1 2.81Å; E277-R280 IonicContact OE2-NH1 2.8Å; E277-R280 PolarHBondContact OE2-NH1 3.47Å; R280-D284 HydrophobicContact CB-CB 4.28Å; R280-D284 PolarHBondContact NH2-O 2.98Å; R280-D284 VanDerWaalsContact NH2-O 3.09Å; R280-D288 IonicContact NH2-OD2 2.68Å; R280-M302 HydrophobicContact CG-CE 4.36Å; R280-M302 HydrophobicContact CG-SD 3.94Å | ||
| 281 | T | 98.1 | Very high | 96.4 | Very high | 15 Ų | 15 | 47.2 Ų | 47.2 | 9% | 0.092 | 25% | 0.247 | C | C | . | . | trans | -99.3 | 168.9 | 176.2 | 71.5 | 0 | 0 | 0 | 0 | 111.3 | A28 M29 F283 D284 I285 | A28-T281 HydrophobicContact CB-CG2 3.96Å; M29-T281 HydrophobicContact CE-CG2 3.89Å; M29-T281 WeakPolarHBondContact CE-OG1 3.15Å; M29-T281 HydrophobicContact CG-CG2 3.9Å; T281-F283 PolarHBondContact O-N 2.76Å; T281-F283 VanDerWaalsContact O-N 3.12Å; T281-F283 PolarHBondContact OG1-N 2.82Å; T281-D284 WeakPolarHBondContact CB-OD2 3.44Å; T281-D284 PolarHBondContact N-OD2 3.48Å; T281-D284 WeakPolarHBondContact O-CB 3.11Å; T281-D284 PolarHBondContact O-N 3.07Å; T281-D284 PolarHBondContact OG1-N 3.45Å; T281-D284 PolarHBondContact OG1-OD2 2.93Å; T281-I285 WeakPolarHBondContact O-CG1 3.4Å; T281-I285 PolarHBondContact O-N 2.89Å; T281-I285 VanDerWaalsContact O-N 3.08Å | ||
| 282 | Q | 97.5 | Very high | 96 | Very high | 112 Ų | 112 | 50.5 Ų | 50.5 | 52% | 0.523 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -53.4 | -32 | 171.7 | 67.9 | -174.9 | -5.2 | 0 | 0 | 113.1 | I285 E286 | Q282-I285 PolarHBondContact O-N 3Å; Q282-E286 WeakPolarHBondContact O-CB 3.43Å; Q282-E286 PolarHBondContact O-N 3.44Å |
| 283 | F | 98.2 | Very high | 95.6 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 4% | 0.044 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.1 | -37.6 | 178.5 | -53.1 | -72 | 0 | 0 | 0 | 111.6 | Y25 L26 M29 T281 I285 E286 I287 L311 L314 I315 K318 | Y25-F283 HydrophobicContact CE1-CZ 4.29Å; L26-F283 HydrophobicContact CD2-CE2 4.12Å; M29-F283 HydrophobicContact CE-CB 4.05Å; M29-F283 HydrophobicContact CE-CD2 3.47Å; M29-F283 VanDerWaalsContact CE-CD2 3.47Å; M29-F283 HydrophobicContact CE-CE2 4.3Å; M29-F283 HydrophobicContact CE-CG 4.13Å; T281-F283 PolarHBondContact O-N 2.76Å; T281-F283 VanDerWaalsContact O-N 3.12Å; T281-F283 PolarHBondContact OG1-N 2.82Å; F283-I285 VanDerWaalsContact C-N 3.29Å; F283-I285 PolarHBondContact O-N 3.36Å; F283-E286 PolarHBondContact O-N 2.86Å; F283-I287 WeakPolarHBondContact O-CG2 3.46Å; F283-I287 PolarHBondContact O-N 2.91Å; F283-L311 HydrophobicContact CB-CD2 4.16Å; F283-L314 HydrophobicContact CD1-CB 4.18Å; F283-I315 HydrophobicContact CB-CG1 4.46Å; F283-I315 HydrophobicContact CD1-CG1 3.81Å; F283-I315 HydrophobicContact CD2-CG1 3.89Å; F283-I315 HydrophobicContact CE1-CB 4.32Å; F283-I315 HydrophobicContact CE1-CG1 3.92Å; F283-I315 HydrophobicContact CE2-CG1 3.97Å; F283-I315 HydrophobicContact CG-CG1 3.79Å; F283-I315 HydrophobicContact CZ-CB 4.46Å; F283-I315 HydrophobicContact CZ-CG1 3.98Å; F283-K318 HydrophobicContact CE1-CB 3.77Å; F283-K318 HydrophobicContact CE1-CG 4.2Å; F283-K318 HydrophobicContact CZ-CB 4.27Å; F283-K318 HydrophobicContact CZ-CG 4.34Å |
| 284 | D | 98.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.011 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.6 | -28.9 | 175.6 | -54.9 | -61.4 | 0 | 0 | 0 | 111.8 | R280 T281 I287 D288 M302 R387 | R280-D284 HydrophobicContact CB-CB 4.28Å; R280-D284 PolarHBondContact NH2-O 2.98Å; R280-D284 VanDerWaalsContact NH2-O 3.09Å; T281-D284 WeakPolarHBondContact CB-OD2 3.44Å; T281-D284 PolarHBondContact N-OD2 3.48Å; T281-D284 WeakPolarHBondContact O-CB 3.11Å; T281-D284 PolarHBondContact O-N 3.07Å; T281-D284 PolarHBondContact OG1-N 3.45Å; T281-D284 PolarHBondContact OG1-OD2 2.93Å; D284-I287 WeakPolarHBondContact O-CG2 3.19Å; D284-D288 VanDerWaalsContact O-CB 3.28Å; D284-D288 WeakPolarHBondContact O-CB 3.48Å; D284-D288 PolarHBondContact O-N 3.26Å; D284-M302 HydrophobicContact CB-CG 4.38Å; D284-R387 IonicContact OD1-CZ 2.65Å; D284-R387 IonicContact OD1-NH1 2.9Å; D284-R387 PolarHBondContact OD1-NH1 2.9Å; D284-R387 IonicContact OD1-NH2 3.34Å; D284-R387 PolarHBondContact OD1-NH2 2.62Å; D284-R387 IonicContact OD2-CZ 3.79Å; D284-R387 IonicContact OD2-NH1 2.79Å; D284-R387 PolarHBondContact OD2-NH1 3.33Å; D284-R387 IonicContact OD2-NH2 3.61Å |
| 285 | I | 97.7 | Very high | 95.6 | Very high | 52 Ų | 52 | 49.9 Ų | 49.9 | 27% | 0.267 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -75.2 | -42.6 | 173.8 | -64.1 | 167.2 | 0 | 0 | 0 | 110.5 | T281 Q282 F283 D288 R289 | T281-I285 WeakPolarHBondContact O-CG1 3.4Å; T281-I285 PolarHBondContact O-N 2.89Å; T281-I285 VanDerWaalsContact O-N 3.08Å; Q282-I285 PolarHBondContact O-N 3Å; F283-I285 VanDerWaalsContact C-N 3.29Å; F283-I285 PolarHBondContact O-N 3.36Å; I285-D288 PolarHBondContact O-N 3.16Å; I285-R289 WeakPolarHBondContact O-CG 3.33Å; I285-R289 PolarHBondContact O-N 3.21Å |
| 286 | E | 97.2 | Very high | 95.6 | Very high | 98 Ų | 98 | 53.6 Ų | 53.6 | 46% | 0.458 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 179.9 | -173.7 | 170 | -176.4 | 0 | 0 | 112.2 | Q282 F283 D288 R289 G290 L314 | Q282-E286 WeakPolarHBondContact O-CB 3.43Å; Q282-E286 PolarHBondContact O-N 3.44Å; F283-E286 PolarHBondContact O-N 2.86Å; E286-D288 VanDerWaalsContact C-N 3.29Å; E286-D288 PolarHBondContact O-N 3.34Å; E286-R289 PolarHBondContact O-N 3Å; E286-G290 PolarHBondContact O-N 2.88Å; E286-G290 VanDerWaalsContact O-N 3.13Å; E286-L314 HydrophobicContact CB-CD1 4.23Å; E286-L314 HydrophobicContact CG-CD1 4.18Å; E286-L314 HydrophobicContact CG-CD2 4.11Å |
| 287 | I | 96.7 | Very high | 95.5 | Very high | 12 Ų | 12 | 54.2 Ų | 54.2 | 6% | 0.062 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.7 | -36.1 | 176.1 | -164.1 | 168.8 | 0 | 0 | 0 | 112.1 | F283 D284 G290 S291 Y307 E310 L311 L314 | F283-I287 WeakPolarHBondContact O-CG2 3.46Å; F283-I287 PolarHBondContact O-N 2.91Å; D284-I287 WeakPolarHBondContact O-CG2 3.19Å; I287-G290 PolarHBondContact O-N 3.2Å; I287-S291 PolarHBondContact O-N 2.88Å; I287-Y307 HydrophobicContact CD1-CD1 3.97Å; I287-Y307 HydrophobicContact CD1-CG 4.31Å; I287-Y307 WeakPolarHBondContact CD1-O 3.37Å; I287-Y307 HydrophobicContact CG1-CD1 4.3Å; I287-E310 HydrophobicContact CD1-CB 3.8Å; I287-E310 HydrophobicContact CD1-CG 3.81Å; I287-E310 HydrophobicContact CG1-CG 4.01Å; I287-L311 HydrophobicContact CB-CD2 4.31Å; I287-L311 HydrophobicContact CD1-CD2 4.21Å; I287-L311 HydrophobicContact CD1-CG 3.78Å; I287-L311 HydrophobicContact CG2-CD2 3.89Å; I287-L311 HydrophobicContact CG2-CG 4.48Å; I287-L314 HydrophobicContact CB-CD1 3.94Å |
| 288 | D | 97.3 | Very high | 95.6 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.6 | -47.9 | 177.4 | 177.1 | 47.2 | 0 | 0 | 0 | 111.6 | R280 D284 I285 E286 G290 S291 P294 G295 L298 K301 | R280-D288 IonicContact NH2-OD2 2.68Å; D284-D288 VanDerWaalsContact O-CB 3.28Å; D284-D288 WeakPolarHBondContact O-CB 3.48Å; D284-D288 PolarHBondContact O-N 3.26Å; I285-D288 PolarHBondContact O-N 3.16Å; E286-D288 VanDerWaalsContact C-N 3.29Å; E286-D288 PolarHBondContact O-N 3.34Å; D288-G290 PolarHBondContact O-N 3.08Å; D288-S291 VanDerWaalsContact O-CB 3.32Å; D288-S291 WeakPolarHBondContact O-CB 3.48Å; D288-S291 PolarHBondContact O-N 2.99Å; D288-S291 PolarHBondContact O-OG 3.43Å; D288-P294 WeakPolarHBondContact OD1-CA 3.31Å; D288-G295 PolarHBondContact OD1-N 2.98Å; D288-G295 PolarHBondContact OD2-N 3.15Å; D288-L298 HydrophobicContact CB-CD2 4.23Å; D288-K301 HydrophobicContact CB-CD 4.28Å; D288-K301 IonicContact OD1-NZ 3.38Å; D288-K301 PolarHBondContact OD1-NZ 3.04Å |
| 289 | R | 96 | Very high | 95.7 | Very high | 194 Ų | 194 | 45.6 Ų | 45.6 | 73% | 0.732 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -56.6 | -38.4 | 175.4 | -73.6 | 174.4 | -177.1 | 174.9 | 2.6 | 112.5 | I285 E286 S291 | I285-R289 WeakPolarHBondContact O-CG 3.33Å; I285-R289 PolarHBondContact O-N 3.21Å; E286-R289 PolarHBondContact O-N 3Å; R289-S291 VanDerWaalsContact C-N 3.32Å |
| 290 | G | 91.9 | Very high | 95.8 | Very high | 41 Ų | 41 | 45 Ų | 45 | 42% | 0.423 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -0.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E286 I287 D288 K337 | E286-G290 PolarHBondContact O-N 2.88Å; E286-G290 VanDerWaalsContact O-N 3.13Å; I287-G290 PolarHBondContact O-N 3.2Å; D288-G290 PolarHBondContact O-N 3.08Å; G290-K337 PolarHBondContact O-NZ 3.39Å |
| 291 | S | 93.3 | Very high | 95.8 | Very high | 18 Ų | 18 | 43.8 Ų | 43.8 | 13% | 0.126 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -84.7 | 170 | -174.2 | 75.6 | 0 | 0 | 0 | 0 | 113.6 | I287 D288 R289 N293 K301 | I287-S291 PolarHBondContact O-N 2.88Å; D288-S291 VanDerWaalsContact O-CB 3.32Å; D288-S291 WeakPolarHBondContact O-CB 3.48Å; D288-S291 PolarHBondContact O-N 2.99Å; D288-S291 PolarHBondContact O-OG 3.43Å; R289-S291 VanDerWaalsContact C-N 3.32Å; S291-N293 PolarHBondContact O-N 3.39Å; S291-N293 PolarHBondContact OG-N 3.4Å; S291-N293 PolarHBondContact OG-OD1 3.41Å; S291-K301 WeakPolarHBondContact OG-CE 3.49Å; S291-K301 PolarHBondContact OG-NZ 3.31Å |
| 292 | L | 88.9 | Confident | 95.9 | Very high | 69 Ų | 69 | 43.3 Ų | 43.3 | 36% | 0.361 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -71.1 | -17.3 | 175.9 | -70.6 | 175.2 | 0 | 0 | 0 | 113.5 | K182 | K182-L292 PolarHBondContact NZ-O 2.99Š|
| 293 | N | 88.4 | Confident | 95.9 | Very high | 26 Ų | 26 | 38 Ų | 38 | 14% | 0.139 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -138.6 | 65.4 | -174.2 | 61.2 | -23.4 | 0 | 0 | 0 | 111.7 | S291 K296 Q297 K301 | S291-N293 PolarHBondContact O-N 3.39Å; S291-N293 PolarHBondContact OG-N 3.4Å; S291-N293 PolarHBondContact OG-OD1 3.41Å; N293-K296 HydrophobicContact CB-CB 4.26Å; N293-K296 PolarHBondContact O-N 2.7Å; N293-Q297 WeakPolarHBondContact ND2-CG 3.42Å; N293-K301 PolarHBondContact O-NZ 3Å; N293-K301 WeakPolarHBondContact OD1-CE 3.28Å; N293-K301 PolarHBondContact OD1-NZ 3.22Å |
| 294 | P | 95.1 | Very high | 95.8 | Very high | 79 Ų | 79 | 37.5 Ų | 37.5 | 51% | 0.513 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 141.2 | 179.7 | -24.2 | 35.2 | 0 | 0 | 0 | 112.9 | D288 K296 | D288-P294 WeakPolarHBondContact OD1-CA 3.31Å; P294-K296 PolarHBondContact O-N 3.05Å |
| 295 | G | 95.6 | Very high | 95.6 | Very high | 31 Ų | 31 | 38.2 Ų | 38.2 | 32% | 0.32 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 13.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D288 | D288-G295 PolarHBondContact OD1-N 2.98Å; D288-G295 PolarHBondContact OD2-N 3.15Å |
| 296 | K | 94.8 | Very high | 95.4 | Very high | 113 Ų | 113 | 38.2 Ų | 38.2 | 49% | 0.491 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -130.6 | 154.9 | 177.9 | -61.3 | -64.5 | 169 | -157.8 | 0 | 111.8 | D272 N293 P294 L298 K301 | D272-K296 VanDerWaalsContact OD2-CA 3.28Å; D272-K296 WeakPolarHBondContact OD2-CA 3.47Å; D272-K296 WeakPolarHBondContact OD2-CD 3.43Å; N293-K296 HydrophobicContact CB-CB 4.26Å; N293-K296 PolarHBondContact O-N 2.7Å; P294-K296 PolarHBondContact O-N 3.05Å; K296-L298 PolarHBondContact O-N 2.65Å; K296-K301 WeakPolarHBondContact O-CE 3.41Å; K296-K301 PolarHBondContact O-NZ 3.24Å |
| 297 | Q | 95.8 | Very high | 95.4 | Very high | 16 Ų | 16 | 34.1 Ų | 34.1 | 8% | 0.075 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 56.3 | 38.8 | 178 | -58.3 | -64.5 | 108.9 | 0 | 0 | 112.4 | T178 G268 D272 N293 F299 E300 K301 | T178-Q297 HydrophobicContact CG2-CG 4.05Å; G268-Q297 CarbonylContact O-C 3.5Å; G268-Q297 WeakPolarHBondContact O-CA 3.46Å; D272-Q297 PolarHBondContact OD1-N 2.82Å; D272-Q297 PolarHBondContact OD2-N 2.9Å; N293-Q297 WeakPolarHBondContact ND2-CG 3.42Å; Q297-F299 PolarHBondContact O-N 3.13Å; Q297-E300 HydrophobicContact CB-CB 4.15Å; Q297-E300 PolarHBondContact NE2-OE1 3.1Å; Q297-E300 PolarHBondContact O-N 3.4Å; Q297-K301 WeakPolarHBondContact O-CG 3.36Å; Q297-K301 PolarHBondContact O-N 2.91Å |
| 298 | L | 97.8 | Very high | 95.5 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.8 | -39.8 | -171 | -65.2 | -175.8 | 0 | 0 | 0 | 112.4 | G268 D272 D288 K296 K301 M302 | G268-L298 PolarHBondContact O-N 2.57Å; D272-L298 WeakPolarHBondContact OD1-CG 3.09Å; D272-L298 PolarHBondContact OD1-N 3.43Å; D288-L298 HydrophobicContact CB-CD2 4.23Å; K296-L298 PolarHBondContact O-N 2.65Å; L298-K301 HydrophobicContact CD2-CD 4.5Å; L298-K301 PolarHBondContact O-N 2.71Å; L298-M302 PolarHBondContact O-N 2.77Å |
| 299 | F | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.2 | -43.3 | 174.9 | -172.2 | -112.5 | 0 | 0 | 0 | 112.2 | W267 G268 F270 L276 Q297 K301 M302 I303 L391 A395 | W267-F299 HydrophobicContact CG-CE1 4.48Å; W267-F299 VanDerWaalsContact O-CD1 3.31Å; W267-F299 WeakPolarHBondContact O-CD1 3.25Å; G268-F299 PolarHBondContact O-N 3.35Å; F270-F299 HydrophobicContact CB-CB 3.84Å; F270-F299 HydrophobicContact CB-CD1 4.33Å; F270-F299 HydrophobicContact CB-CG 4.04Å; F270-F299 HydrophobicContact CD1-CD1 4.45Å; F270-F299 AromaticContact CD1-CD2 3.77Å; F270-F299 HydrophobicContact CD1-CD2 3.77Å; F270-F299 AromaticContact CD1-CE2 3.9Å; F270-F299 HydrophobicContact CD1-CE2 3.9Å; F270-F299 HydrophobicContact CD1-CG 4.06Å; F270-F299 HydrophobicContact CD1-CZ 4.31Å; F270-F299 HydrophobicContact CE1-CE2 4.38Å; F270-F299 WeakPolarHBondContact O-CB 3.31Å; F270-F299 PolarHBondContact O-N 2.87Å; L276-F299 HydrophobicContact CD1-CB 4.37Å; L276-F299 HydrophobicContact CD1-CD2 3.81Å; Q297-F299 PolarHBondContact O-N 3.13Å; F299-K301 VanDerWaalsContact C-N 3.29Å; F299-K301 PolarHBondContact O-N 2.78Å; F299-M302 HydrophobicContact CD2-CE 4.1Å; F299-M302 PolarHBondContact O-N 2.86Å; F299-M302 VanDerWaalsContact O-N 3.17Å; F299-I303 HydrophobicContact CD1-CD1 3.52Å; F299-I303 HydrophobicContact CD2-CD1 4.1Å; F299-I303 HydrophobicContact CE1-CD1 3.27Å; F299-I303 HydrophobicContact CE2-CD1 3.9Å; F299-I303 HydrophobicContact CG-CD1 3.93Å; F299-I303 HydrophobicContact CZ-CD1 3.48Å; F299-I303 VanDerWaalsContact CZ-CD1 3.48Å; F299-I303 WeakPolarHBondContact O-CD1 3.44Å; F299-I303 WeakPolarHBondContact O-CG1 3.33Å; F299-L391 HydrophobicContact CE2-CB 3.97Å; F299-L391 HydrophobicContact CE2-CD2 4.09Å; F299-L391 HydrophobicContact CE2-CG 4.45Å; F299-L391 HydrophobicContact CZ-CB 4.09Å; F299-A395 HydrophobicContact CE1-CB 4.04Å; F299-A395 HydrophobicContact CZ-CB 3.87Å |
| 300 | E | 98.1 | Very high | 95.6 | Very high | 7 Ų | 7 | 24.7 Ų | 24.7 | 3% | 0.033 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.4 | -40.2 | 175.7 | 172.9 | 172.9 | 67.7 | 0 | 0 | 112 | G239 T240 G268 Q297 M302 I303 S304 Y307 | G239-E300 WeakPolarHBondContact CA-OE2 3.41Å; T240-E300 HydrophobicContact CG2-CB 4.03Å; T240-E300 HydrophobicContact CG2-CG 4.06Å; T240-E300 PolarHBondContact N-OE2 3.25Å; G268-E300 PolarHBondContact O-N 3.46Å; G268-E300 VanDerWaalsContact O-N 3.12Å; Q297-E300 HydrophobicContact CB-CB 4.15Å; Q297-E300 PolarHBondContact NE2-OE1 3.1Å; Q297-E300 PolarHBondContact O-N 3.4Å; E300-M302 PolarHBondContact O-N 3.1Å; E300-I303 PolarHBondContact O-N 3.28Å; E300-S304 PolarHBondContact O-N 3.08Å; E300-Y307 HydrophobicContact CG-CE2 4.1Å |
| 301 | K | 98 | Very high | 95.8 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.017 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.2 | -26.6 | 177.9 | -77.6 | 165.7 | 175.3 | 165.3 | 0 | 114.2 | D288 S291 N293 K296 Q297 L298 F299 I303 Y307 L311 | D288-K301 HydrophobicContact CB-CD 4.28Å; D288-K301 IonicContact OD1-NZ 3.38Å; D288-K301 PolarHBondContact OD1-NZ 3.04Å; S291-K301 WeakPolarHBondContact OG-CE 3.49Å; S291-K301 PolarHBondContact OG-NZ 3.31Å; N293-K301 PolarHBondContact O-NZ 3Å; N293-K301 WeakPolarHBondContact OD1-CE 3.28Å; N293-K301 PolarHBondContact OD1-NZ 3.22Å; K296-K301 WeakPolarHBondContact O-CE 3.41Å; K296-K301 PolarHBondContact O-NZ 3.24Å; Q297-K301 WeakPolarHBondContact O-CG 3.36Å; Q297-K301 PolarHBondContact O-N 2.91Å; L298-K301 HydrophobicContact CD2-CD 4.5Å; L298-K301 PolarHBondContact O-N 2.71Å; F299-K301 VanDerWaalsContact C-N 3.29Å; F299-K301 PolarHBondContact O-N 2.78Å; K301-I303 VanDerWaalsContact C-N 3.31Å; K301-Y307 HydrophobicContact CB-CD2 4.31Å; K301-Y307 HydrophobicContact CB-CG 4.31Å; K301-Y307 HydrophobicContact CG-CD1 3.97Å; K301-Y307 HydrophobicContact CG-CD2 3.99Å; K301-Y307 HydrophobicContact CG-CE1 3.79Å; K301-Y307 HydrophobicContact CG-CE2 3.83Å; K301-Y307 HydrophobicContact CG-CG 4.07Å; K301-Y307 VanDerWaalsContact O-CB 3.26Å; K301-Y307 WeakPolarHBondContact O-CB 3.11Å; K301-L311 WeakPolarHBondContact O-CD1 3.27Å |
| 302 | M | 98.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.02 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -11.1 | 174.8 | -65.1 | -172.5 | -74.3 | 0 | 0 | 113.4 | L276 R280 D284 L298 F299 E300 L391 | L276-M302 HydrophobicContact CD1-CE 4.14Å; R280-M302 HydrophobicContact CG-CE 4.36Å; R280-M302 HydrophobicContact CG-SD 3.94Å; D284-M302 HydrophobicContact CB-CG 4.38Å; L298-M302 PolarHBondContact O-N 2.77Å; F299-M302 HydrophobicContact CD2-CE 4.1Å; F299-M302 PolarHBondContact O-N 2.86Å; F299-M302 VanDerWaalsContact O-N 3.17Å; E300-M302 PolarHBondContact O-N 3.1Å; M302-L391 HydrophobicContact CB-CD1 3.76Å; M302-L391 HydrophobicContact CE-CD1 4.4Å; M302-L391 HydrophobicContact SD-CD1 4.38Å |
| 303 | I | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -54.4 | -165.2 | -65.6 | 169.3 | 0 | 0 | 0 | 112.7 | T240 F299 E300 K301 S388 L391 V392 L422 | T240-I303 HydrophobicContact CG2-CB 3.95Å; T240-I303 HydrophobicContact CG2-CD1 4.29Å; T240-I303 HydrophobicContact CG2-CG2 3.74Å; F299-I303 HydrophobicContact CD1-CD1 3.52Å; F299-I303 HydrophobicContact CD2-CD1 4.1Å; F299-I303 HydrophobicContact CE1-CD1 3.27Å; F299-I303 HydrophobicContact CE2-CD1 3.9Å; F299-I303 HydrophobicContact CG-CD1 3.93Å; F299-I303 HydrophobicContact CZ-CD1 3.48Å; F299-I303 VanDerWaalsContact CZ-CD1 3.48Å; F299-I303 WeakPolarHBondContact O-CD1 3.44Å; F299-I303 WeakPolarHBondContact O-CG1 3.33Å; E300-I303 PolarHBondContact O-N 3.28Å; K301-I303 VanDerWaalsContact C-N 3.31Å; I303-S388 WeakPolarHBondContact CA-OG 3.42Å; I303-S388 WeakPolarHBondContact CG2-OG 3.32Å; I303-S388 PolarHBondContact O-OG 2.89Å; I303-L391 HydrophobicContact CD1-CB 3.82Å; I303-L391 HydrophobicContact CD1-CD1 4.47Å; I303-L391 HydrophobicContact CG1-CB 3.93Å; I303-L391 HydrophobicContact CG1-CD1 4.01Å; I303-V392 HydrophobicContact CD1-CG2 4Å; I303-V392 HydrophobicContact CG1-CG2 4.39Å; I303-V392 HydrophobicContact CG2-CG2 3.39Å; I303-L422 WeakPolarHBondContact O-CD2 3.38Å |
| 304 | S | 96 | Very high | 97 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -76 | 164 | -156.1 | 86.4 | 0 | 0 | 0 | 0 | 114 | T238 E300 M306 Y307 M308 | T238-S304 VanDerWaalsContact O-CB 3.32Å; T238-S304 WeakPolarHBondContact O-CB 3.49Å; T238-S304 PolarHBondContact O-OG 3.26Å; E300-S304 PolarHBondContact O-N 3.08Å; S304-M306 PolarHBondContact O-N 3.14Å; S304-M306 PolarHBondContact OG-N 3.18Å; S304-Y307 PolarHBondContact O-N 3.23Å; S304-Y307 VanDerWaalsContact O-N 3.14Å; S304-Y307 WeakPolarHBondContact OG-CD2 3.36Å; S304-M308 PolarHBondContact O-N 2.98Å; S304-M308 VanDerWaalsContact O-N 3.08Å |
| 305 | G | 94.8 | Very high | 97.2 | Very high | 16 Ų | 16 | 14.8 Ų | 14.8 | 17% | 0.165 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -15.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G237 Y307 T342 | G237-G305 WeakPolarHBondContact O-CA 3.49Å; G237-G305 PolarHBondContact O-N 3.38Å; G305-Y307 VanDerWaalsContact C-N 3.34Å; G305-T342 VanDerWaalsContact O-CB 3.29Å; G305-T342 WeakPolarHBondContact O-CB 3.42Å; G305-T342 PolarHBondContact O-OG1 3.09Å |
| 306 | M | 94 | Very high | 97.3 | Very high | 53 Ų | 53 | 13.3 Ų | 13.3 | 26% | 0.261 | 7% | 0.065 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -30.6 | 172.1 | 179.7 | 166.1 | 173.7 | 0 | 0 | 112.4 | K179 R180 T238 S304 | K179-M306 HydrophobicContact CB-SD 4.36Å; R180-M306 HydrophobicContact CG-CE 3.85Å; R180-M306 HydrophobicContact CG-SD 3.9Å; T238-M306 HydrophobicContact CG2-CB 4.09Å; T238-M306 HydrophobicContact CG2-SD 4.26Å; T238-M306 WeakPolarHBondContact O-CB 3.27Å; T238-M306 PolarHBondContact O-N 3.41Å; S304-M306 PolarHBondContact O-N 3.14Å; S304-M306 PolarHBondContact OG-N 3.18Å |
| 307 | Y | 96.8 | Very high | 97.4 | Very high | 11 Ų | 11 | 8.2 Ų | 8.2 | 4% | 0.043 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -26.3 | -168.2 | -57.2 | -71.4 | 0 | 0 | 0 | 113.5 | I287 E300 K301 S304 G305 G309 E310 L311 | I287-Y307 HydrophobicContact CD1-CD1 3.97Å; I287-Y307 HydrophobicContact CD1-CG 4.31Å; I287-Y307 WeakPolarHBondContact CD1-O 3.37Å; I287-Y307 HydrophobicContact CG1-CD1 4.3Å; E300-Y307 HydrophobicContact CG-CE2 4.1Å; K301-Y307 HydrophobicContact CB-CD2 4.31Å; K301-Y307 HydrophobicContact CB-CG 4.31Å; K301-Y307 HydrophobicContact CG-CD1 3.97Å; K301-Y307 HydrophobicContact CG-CD2 3.99Å; K301-Y307 HydrophobicContact CG-CE1 3.79Å; K301-Y307 HydrophobicContact CG-CE2 3.83Å; K301-Y307 HydrophobicContact CG-CG 4.07Å; K301-Y307 VanDerWaalsContact O-CB 3.26Å; K301-Y307 WeakPolarHBondContact O-CB 3.11Å; S304-Y307 PolarHBondContact O-N 3.23Å; S304-Y307 VanDerWaalsContact O-N 3.14Å; S304-Y307 WeakPolarHBondContact OG-CD2 3.36Å; G305-Y307 VanDerWaalsContact C-N 3.34Å; Y307-G309 PolarHBondContact O-N 3.04Å; Y307-E310 PolarHBondContact O-N 2.91Å; Y307-E310 VanDerWaalsContact O-N 3.11Å; Y307-L311 PolarHBondContact O-N 3.3Å |
| 308 | M | 97.7 | Very high | 97.5 | Very high | 3 Ų | 3 | 10.5 Ų | 10.5 | 2% | 0.015 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -55.8 | -46.3 | -174.6 | 179.4 | 178.5 | -63.7 | 0 | 0 | 114.1 | S304 L311 V312 T342 V345 V384 L422 Y429 | S304-M308 PolarHBondContact O-N 2.98Å; S304-M308 VanDerWaalsContact O-N 3.08Å; M308-L311 PolarHBondContact O-N 2.94Å; M308-V312 WeakPolarHBondContact O-CG2 3.18Å; M308-V312 PolarHBondContact O-N 3.04Å; M308-V312 VanDerWaalsContact O-N 3.12Å; M308-T342 HydrophobicContact CB-CG2 4.08Å; M308-T342 HydrophobicContact CG-CG2 4.29Å; M308-T342 HydrophobicContact SD-CG2 3.9Å; M308-V345 HydrophobicContact CG-CG1 4.39Å; M308-V345 HydrophobicContact CG-CG2 4.48Å; M308-V345 HydrophobicContact SD-CG1 4.08Å; M308-V384 HydrophobicContact CG-CG1 4.04Å; M308-L422 HydrophobicContact CE-CD1 3.79Å; M308-L422 HydrophobicContact CE-CD2 3.48Å; M308-L422 VanDerWaalsContact CE-CD2 3.48Å; M308-L422 HydrophobicContact CE-CG 4.28Å; M308-L422 HydrophobicContact SD-CD1 3.83Å; M308-L422 HydrophobicContact SD-CD2 4.49Å; M308-Y429 HydrophobicContact CE-CE2 4.09Å |
| 309 | G | 97.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.01 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y307 V312 R313 L340 T342 | Y307-G309 PolarHBondContact O-N 3.04Å; G309-V312 PolarHBondContact O-N 2.71Å; G309-R313 PolarHBondContact O-N 3.49Å; G309-L340 CarbonylContact C-O 3.08Å; G309-L340 VanDerWaalsContact CA-O 3.3Å; G309-L340 WeakPolarHBondContact CA-O 3.29Å; G309-L340 WeakPolarHBondContact O-CD2 3.44Å; G309-T342 PolarHBondContact N-OG1 2.66Å; G309-T342 VanDerWaalsContact N-OG1 3.09Å |
| 310 | E | 97.7 | Very high | 97.3 | Very high | 19 Ų | 19 | 10.2 Ų | 10.2 | 9% | 0.089 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -69.6 | -36.9 | 179.5 | -178.9 | 61.6 | -169.5 | 0 | 0 | 111.8 | I287 Y307 V312 R313 L314 G338 | I287-E310 HydrophobicContact CD1-CB 3.8Å; I287-E310 HydrophobicContact CD1-CG 3.81Å; I287-E310 HydrophobicContact CG1-CG 4.01Å; Y307-E310 PolarHBondContact O-N 2.91Å; Y307-E310 VanDerWaalsContact O-N 3.11Å; E310-V312 VanDerWaalsContact C-N 3.34Å; E310-V312 PolarHBondContact O-N 2.96Å; E310-R313 VanDerWaalsContact CD-NE 3.3Å; E310-R313 WeakPolarHBondContact O-CB 3.44Å; E310-R313 PolarHBondContact O-N 3.38Å; E310-R313 IonicContact OE1-CZ 2.9Å; E310-R313 VanDerWaalsContact OE1-CZ 3.29Å; E310-R313 IonicContact OE1-NE 3.35Å; E310-R313 PolarHBondContact OE1-NE 3.4Å; E310-R313 VanDerWaalsContact OE1-NE 3.08Å; E310-R313 IonicContact OE1-NH2 2.69Å; E310-R313 PolarHBondContact OE1-NH2 3.37Å; E310-R313 IonicContact OE2-CZ 2.84Å; E310-R313 IonicContact OE2-NE 3.87Å; E310-R313 PolarHBondContact OE2-NE 3.08Å; E310-R313 IonicContact OE2-NH2 3.79Å; E310-L314 HydrophobicContact CG-CD1 4.5Å; E310-L314 WeakPolarHBondContact O-CG 3.44Å; E310-L314 PolarHBondContact O-N 3.23Å; E310-G338 PolarHBondContact OE2-N 3.09Å |
| 311 | L | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58.1 | -46.4 | 171 | -82.6 | 172.5 | 0 | 0 | 0 | 111.5 | F283 I287 K301 Y307 M308 L314 I315 V384 | F283-L311 HydrophobicContact CB-CD2 4.16Å; I287-L311 HydrophobicContact CB-CD2 4.31Å; I287-L311 HydrophobicContact CD1-CD2 4.21Å; I287-L311 HydrophobicContact CD1-CG 3.78Å; I287-L311 HydrophobicContact CG2-CD2 3.89Å; I287-L311 HydrophobicContact CG2-CG 4.48Å; K301-L311 WeakPolarHBondContact O-CD1 3.27Å; Y307-L311 PolarHBondContact O-N 3.3Å; M308-L311 PolarHBondContact O-N 2.94Å; L311-L314 PolarHBondContact O-N 2.99Å; L311-I315 WeakPolarHBondContact O-CD1 3.36Å; L311-I315 VanDerWaalsContact O-CG1 3.3Å; L311-I315 WeakPolarHBondContact O-CG1 3.48Å; L311-I315 PolarHBondContact O-N 3.42Å; L311-I315 VanDerWaalsContact O-N 3.14Å; L311-V384 HydrophobicContact CB-CG1 4.26Å; L311-V384 HydrophobicContact CD1-CG1 4.49Å |
| 312 | V | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.8 | -48.1 | 175 | 172.5 | 0 | 0 | 0 | 0 | 109.9 | M308 G309 E310 L314 I315 L316 L340 V345 V380 V384 | M308-V312 WeakPolarHBondContact O-CG2 3.18Å; M308-V312 PolarHBondContact O-N 3.04Å; M308-V312 VanDerWaalsContact O-N 3.12Å; G309-V312 PolarHBondContact O-N 2.71Å; E310-V312 VanDerWaalsContact C-N 3.34Å; E310-V312 PolarHBondContact O-N 2.96Å; V312-L314 VanDerWaalsContact C-N 3.34Å; V312-L314 PolarHBondContact O-N 3.07Å; V312-I315 WeakPolarHBondContact O-CB 3.4Å; V312-I315 PolarHBondContact O-N 3Å; V312-I315 VanDerWaalsContact O-N 3.15Å; V312-L316 HydrophobicContact CG1-CD1 4.11Å; V312-L316 HydrophobicContact CG1-CG 4.13Å; V312-L316 VanDerWaalsContact O-CG 3.31Å; V312-L316 WeakPolarHBondContact O-CG 3.4Å; V312-L316 PolarHBondContact O-N 3.09Å; V312-L340 HydrophobicContact CB-CD2 4.24Å; V312-L340 HydrophobicContact CG1-CD1 3.9Å; V312-L340 HydrophobicContact CG1-CD2 4.21Å; V312-V345 HydrophobicContact CB-CG2 4.38Å; V312-V345 HydrophobicContact CG2-CG2 3.95Å; V312-V380 HydrophobicContact CG1-CG1 4.29Å; V312-V384 HydrophobicContact CG2-CB 4.02Å; V312-V384 HydrophobicContact CG2-CG1 4.15Å; V312-V384 HydrophobicContact CG2-CG2 3.97Å |
| 313 | R | 98.1 | Very high | 96.9 | Very high | 15 Ų | 15 | 22.4 Ų | 22.4 | 6% | 0.057 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -54.6 | -47.3 | 178.8 | -164.9 | -164.8 | 64.2 | 81.4 | -0.3 | 112.5 | G309 E310 I315 L316 V317 L334 L335 T336 L340 | G309-R313 PolarHBondContact O-N 3.49Å; E310-R313 VanDerWaalsContact CD-NE 3.3Å; E310-R313 WeakPolarHBondContact O-CB 3.44Å; E310-R313 PolarHBondContact O-N 3.38Å; E310-R313 IonicContact OE1-CZ 2.9Å; E310-R313 VanDerWaalsContact OE1-CZ 3.29Å; E310-R313 IonicContact OE1-NE 3.35Å; E310-R313 PolarHBondContact OE1-NE 3.4Å; E310-R313 VanDerWaalsContact OE1-NE 3.08Å; E310-R313 IonicContact OE1-NH2 2.69Å; E310-R313 PolarHBondContact OE1-NH2 3.37Å; E310-R313 IonicContact OE2-CZ 2.84Å; E310-R313 IonicContact OE2-NE 3.87Å; E310-R313 PolarHBondContact OE2-NE 3.08Å; E310-R313 IonicContact OE2-NH2 3.79Å; R313-I315 VanDerWaalsContact C-N 3.32Å; R313-I315 PolarHBondContact O-N 2.94Å; R313-L316 PolarHBondContact O-N 3.07Å; R313-L316 VanDerWaalsContact O-N 3.16Å; R313-V317 WeakPolarHBondContact O-CG2 3.32Å; R313-V317 PolarHBondContact O-N 3.12Å; R313-L334 WeakPolarHBondContact CD-O 3.47Å; R313-L334 HydrophobicContact CG-CD1 4.31Å; R313-L334 WeakPolarHBondContact CG-O 3.34Å; R313-L334 PolarHBondContact NH1-O 2.96Å; R313-L335 VanDerWaalsContact NH1-C 3.28Å; R313-L335 PolarHBondContact NH1-O 3.48Å; R313-T336 VanDerWaalsContact CD-O 3.24Å; R313-T336 WeakPolarHBondContact CD-O 3.48Å; R313-L340 HydrophobicContact CB-CB 3.95Å; R313-L340 HydrophobicContact CG-CB 4.22Å |
| 314 | L | 98.2 | Very high | 96.6 | Very high | 8 Ų | 8 | 25.7 Ų | 25.7 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.6 | -40.8 | 179.7 | -70.4 | 173.1 | 0 | 0 | 0 | 112 | F283 E286 I287 E310 L311 V312 V317 K318 | F283-L314 HydrophobicContact CD1-CB 4.18Å; E286-L314 HydrophobicContact CB-CD1 4.23Å; E286-L314 HydrophobicContact CG-CD1 4.18Å; E286-L314 HydrophobicContact CG-CD2 4.11Å; I287-L314 HydrophobicContact CB-CD1 3.94Å; E310-L314 HydrophobicContact CG-CD1 4.5Å; E310-L314 WeakPolarHBondContact O-CG 3.44Å; E310-L314 PolarHBondContact O-N 3.23Å; L311-L314 PolarHBondContact O-N 2.99Å; V312-L314 VanDerWaalsContact C-N 3.34Å; V312-L314 PolarHBondContact O-N 3.07Å; L314-V317 PolarHBondContact O-N 2.99Å; L314-K318 PolarHBondContact O-N 2.92Å |
| 315 | I | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 173.4 | -65.2 | 163 | 0 | 0 | 0 | 110.4 | L26 M29 F283 L311 V312 R313 V317 K318 M319 V380 V384 | L26-I315 HydrophobicContact CD1-CG2 4.16Å; L26-I315 HydrophobicContact CD2-CD1 4.26Å; L26-I315 HydrophobicContact CD2-CG1 4.34Å; L26-I315 HydrophobicContact CD2-CG2 3.92Å; M29-I315 HydrophobicContact CE-CD1 3.92Å; M29-I315 HydrophobicContact CE-CG1 4.44Å; M29-I315 HydrophobicContact SD-CD1 3.84Å; F283-I315 HydrophobicContact CB-CG1 4.46Å; F283-I315 HydrophobicContact CD1-CG1 3.81Å; F283-I315 HydrophobicContact CD2-CG1 3.89Å; F283-I315 HydrophobicContact CE1-CB 4.32Å; F283-I315 HydrophobicContact CE1-CG1 3.92Å; F283-I315 HydrophobicContact CE2-CG1 3.97Å; F283-I315 HydrophobicContact CG-CG1 3.79Å; F283-I315 HydrophobicContact CZ-CB 4.46Å; F283-I315 HydrophobicContact CZ-CG1 3.98Å; L311-I315 WeakPolarHBondContact O-CD1 3.36Å; L311-I315 VanDerWaalsContact O-CG1 3.3Å; L311-I315 WeakPolarHBondContact O-CG1 3.48Å; L311-I315 PolarHBondContact O-N 3.42Å; L311-I315 VanDerWaalsContact O-N 3.14Å; V312-I315 WeakPolarHBondContact O-CB 3.4Å; V312-I315 PolarHBondContact O-N 3Å; V312-I315 VanDerWaalsContact O-N 3.15Å; R313-I315 VanDerWaalsContact C-N 3.32Å; R313-I315 PolarHBondContact O-N 2.94Å; I315-V317 PolarHBondContact O-N 3.42Å; I315-K318 PolarHBondContact O-N 3.21Å; I315-M319 HydrophobicContact CG2-CG 4.19Å; I315-M319 HydrophobicContact CG2-SD 3.65Å; I315-M319 WeakPolarHBondContact O-CB 3.43Å; I315-M319 WeakPolarHBondContact O-CG 3.08Å; I315-M319 PolarHBondContact O-N 3.16Å; I315-V380 HydrophobicContact CB-CG1 4.15Å; I315-V380 HydrophobicContact CD1-CG1 4.12Å; I315-V380 HydrophobicContact CG2-CG1 3.67Å; I315-V380 HydrophobicContact CG2-CG2 4.33Å; I315-V384 HydrophobicContact CD1-CG2 3.54Å |
| 316 | L | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62 | -41.7 | 179.3 | -61.8 | -173.6 | 0 | 0 | 0 | 112.2 | V312 R313 K318 M319 A320 L325 L334 L340 L362 V377 V380 | V312-L316 HydrophobicContact CG1-CD1 4.11Å; V312-L316 HydrophobicContact CG1-CG 4.13Å; V312-L316 VanDerWaalsContact O-CG 3.31Å; V312-L316 WeakPolarHBondContact O-CG 3.4Å; V312-L316 PolarHBondContact O-N 3.09Å; R313-L316 PolarHBondContact O-N 3.07Å; R313-L316 VanDerWaalsContact O-N 3.16Å; L316-K318 VanDerWaalsContact C-N 3.35Å; L316-K318 PolarHBondContact O-N 3.48Å; L316-M319 PolarHBondContact O-N 2.85Å; L316-A320 VanDerWaalsContact O-CB 3.28Å; L316-A320 WeakPolarHBondContact O-CB 3.2Å; L316-A320 PolarHBondContact O-N 3.16Å; L316-L325 HydrophobicContact CD2-CD1 3.56Å; L316-L334 HydrophobicContact CB-CD1 4.15Å; L316-L340 HydrophobicContact CD1-CD1 3.68Å; L316-L362 HydrophobicContact CD1-CD2 4.37Å; L316-V377 HydrophobicContact CD1-CG1 3.95Å; L316-V377 HydrophobicContact CD1-CG2 4.18Å; L316-V377 HydrophobicContact CD2-CB 4.27Å; L316-V377 HydrophobicContact CD2-CG1 4.15Å; L316-V377 HydrophobicContact CD2-CG2 3.61Å; L316-V380 HydrophobicContact CD2-CG1 4.44Å |
| 317 | V | 97.6 | Very high | 96.5 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 4% | 0.036 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.1 | -46.8 | 174.9 | 168.6 | 0 | 0 | 0 | 0 | 110.7 | R313 L314 I315 A320 R321 L334 L335 | R313-V317 WeakPolarHBondContact O-CG2 3.32Å; R313-V317 PolarHBondContact O-N 3.12Å; L314-V317 PolarHBondContact O-N 2.99Å; I315-V317 PolarHBondContact O-N 3.42Å; V317-A320 PolarHBondContact O-N 3.13Å; V317-R321 WeakPolarHBondContact O-CG 2.96Å; V317-R321 PolarHBondContact O-N 3.27Å; V317-L334 HydrophobicContact CG2-CD1 4.32Å; V317-L334 HydrophobicContact CG2-CD2 4.47Å; V317-L334 HydrophobicContact CG2-CG 3.86Å; V317-L334 WeakPolarHBondContact CG2-O 3.29Å; V317-L335 HydrophobicContact CG1-CD2 3.87Å; V317-L335 HydrophobicContact CG2-CD2 4.3Å |
| 318 | K | 97.8 | Very high | 96.2 | Very high | 64 Ų | 64 | 33.3 Ų | 33.3 | 28% | 0.278 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -67.1 | -43.7 | -179.9 | -175.7 | 67.4 | 173.6 | 70.2 | 0 | 111.7 | Y25 F283 L314 I315 L316 A320 R321 D322 | Y25-K318 WeakPolarHBondContact OH-CG 3.49Å; F283-K318 HydrophobicContact CE1-CB 3.77Å; F283-K318 HydrophobicContact CE1-CG 4.2Å; F283-K318 HydrophobicContact CZ-CB 4.27Å; F283-K318 HydrophobicContact CZ-CG 4.34Å; L314-K318 PolarHBondContact O-N 2.92Å; I315-K318 PolarHBondContact O-N 3.21Å; L316-K318 VanDerWaalsContact C-N 3.35Å; L316-K318 PolarHBondContact O-N 3.48Å; K318-A320 VanDerWaalsContact C-N 3.33Å; K318-A320 PolarHBondContact O-N 3.32Å; K318-R321 WeakPolarHBondContact O-CB 3.42Å; K318-R321 PolarHBondContact O-N 2.72Å; K318-D322 IonicContact NZ-OD1 3.23Å; K318-D322 PolarHBondContact NZ-OD1 2.99Å; K318-D322 IonicContact NZ-OD2 2.61Å; K318-D322 PolarHBondContact NZ-OD2 3.24Å; K318-D322 VanDerWaalsContact O-CG 3.22Å; K318-D322 PolarHBondContact O-N 2.65Å |
| 319 | M | 96.9 | Very high | 96 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.1 | -37.1 | 177.3 | -73 | 178.7 | 73.4 | 0 | 0 | 112.3 | I22 Y25 I315 L316 D322 G323 M324 L325 V380 | I22-M319 HydrophobicContact CG1-CE 4.05Å; Y25-M319 HydrophobicContact CD1-CG 4.13Å; Y25-M319 HydrophobicContact CD1-SD 4.43Å; Y25-M319 HydrophobicContact CE1-CG 3.67Å; Y25-M319 HydrophobicContact CE1-SD 4.48Å; I315-M319 HydrophobicContact CG2-CG 4.19Å; I315-M319 HydrophobicContact CG2-SD 3.65Å; I315-M319 WeakPolarHBondContact O-CB 3.43Å; I315-M319 WeakPolarHBondContact O-CG 3.08Å; I315-M319 PolarHBondContact O-N 3.16Å; L316-M319 PolarHBondContact O-N 2.85Å; M319-D322 PolarHBondContact O-N 3.02Å; M319-G323 PolarHBondContact O-N 2.89Å; M319-M324 HydrophobicContact CB-CB 4.29Å; M319-M324 HydrophobicContact CE-CB 4.4Å; M319-M324 HydrophobicContact CE-CE 4.39Å; M319-M324 WeakPolarHBondContact O-CB 3.48Å; M319-M324 PolarHBondContact O-N 3.28Å; M319-L325 HydrophobicContact CB-CD1 3.72Å; M319-L325 HydrophobicContact CB-CG 3.98Å; M319-L325 HydrophobicContact CE-CD1 4.06Å; M319-L325 HydrophobicContact CE-CD2 4.44Å; M319-L325 HydrophobicContact CE-CG 4.04Å; M319-L325 PolarHBondContact O-N 3.23Å; M319-L325 HydrophobicContact SD-CD1 4.1Å; M319-V380 HydrophobicContact CE-CG2 4.36Å; M319-V380 HydrophobicContact SD-CG2 3.81Å |
| 320 | A | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.8 | -45.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L316 V317 K318 D322 G323 F326 G328 I330 L334 | L316-A320 VanDerWaalsContact O-CB 3.28Å; L316-A320 WeakPolarHBondContact O-CB 3.2Å; L316-A320 PolarHBondContact O-N 3.16Å; V317-A320 PolarHBondContact O-N 3.13Å; K318-A320 VanDerWaalsContact C-N 3.33Å; K318-A320 PolarHBondContact O-N 3.32Å; A320-D322 PolarHBondContact O-N 2.88Å; A320-G323 PolarHBondContact O-N 3.32Å; A320-F326 HydrophobicContact CB-CD2 3.94Å; A320-F326 HydrophobicContact CB-CE2 4.44Å; A320-G328 WeakPolarHBondContact O-CA 3.45Å; A320-I330 HydrophobicContact CB-CD1 4.45Å; A320-I330 HydrophobicContact CB-CG1 3.83Å; A320-L334 HydrophobicContact CB-CD2 4.43Å |
| 321 | R | 96.1 | Very high | 95.7 | Very high | 150 Ų | 150 | 41.7 Ų | 41.7 | 57% | 0.566 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -58.2 | -34.3 | 174.4 | -74.3 | 176.6 | 179.8 | 158.4 | 1.2 | 113.1 | V317 K318 G323 I330 | V317-R321 WeakPolarHBondContact O-CG 2.96Å; V317-R321 PolarHBondContact O-N 3.27Å; K318-R321 WeakPolarHBondContact O-CB 3.42Å; K318-R321 PolarHBondContact O-N 2.72Å; R321-G323 PolarHBondContact O-N 2.95Å; R321-I330 HydrophobicContact CB-CD1 4.3Å; R321-I330 HydrophobicContact CG-CD1 3.34Å |
| 322 | D | 95.6 | Very high | 95.6 | Very high | 73 Ų | 73 | 46.1 Ų | 46.1 | 39% | 0.39 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 3.4 | 177.9 | -63.1 | -13.9 | 0 | 0 | 0 | 113 | Y25 K318 M319 A320 M324 | Y25-D322 PolarHBondContact OH-OD2 2.78Å; K318-D322 IonicContact NZ-OD1 3.23Å; K318-D322 PolarHBondContact NZ-OD1 2.99Å; K318-D322 IonicContact NZ-OD2 2.61Å; K318-D322 PolarHBondContact NZ-OD2 3.24Å; K318-D322 VanDerWaalsContact O-CG 3.22Å; K318-D322 PolarHBondContact O-N 2.65Å; M319-D322 PolarHBondContact O-N 3.02Å; A320-D322 PolarHBondContact O-N 2.88Å; D322-M324 HydrophobicContact CB-CG 4.12Å; D322-M324 HydrophobicContact CB-SD 4.44Å; D322-M324 PolarHBondContact O-N 2.78Å |
| 323 | G | 93.3 | Very high | 95.4 | Very high | 47 Ų | 47 | 49.4 Ų | 49.4 | 49% | 0.485 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 13.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | M319 A320 R321 | M319-G323 PolarHBondContact O-N 2.89Å; A320-G323 PolarHBondContact O-N 3.32Å; R321-G323 PolarHBondContact O-N 2.95Å |
| 324 | M | 93.2 | Very high | 95.2 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 35% | 0.345 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -85.1 | -20.5 | -177.3 | -62.2 | -175.2 | 67.7 | 0 | 0 | 113.7 | Y25 M319 D322 | Y25-M324 HydrophobicContact CD2-CE 3.96Å; Y25-M324 HydrophobicContact CD2-SD 3.47Å; Y25-M324 WeakPolarHBondContact CD2-SD 3.36Å; Y25-M324 HydrophobicContact CE2-SD 3.52Å; Y25-M324 VanDerWaalsContact CE2-SD 3.52Å; Y25-M324 HydrophobicContact CG-CE 4.32Å; Y25-M324 HydrophobicContact CG-SD 4.24Å; M319-M324 HydrophobicContact CB-CB 4.29Å; M319-M324 HydrophobicContact CE-CB 4.4Å; M319-M324 HydrophobicContact CE-CE 4.39Å; M319-M324 WeakPolarHBondContact O-CB 3.48Å; M319-M324 PolarHBondContact O-N 3.28Å; D322-M324 HydrophobicContact CB-CG 4.12Å; D322-M324 HydrophobicContact CB-SD 4.44Å; D322-M324 PolarHBondContact O-N 2.78Å |
| 325 | L | 94.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -130.7 | 150.8 | 177.3 | -69.8 | 176.7 | 0 | 0 | 0 | 110.2 | L316 M319 E327 G328 D373 A376 V377 | L316-L325 HydrophobicContact CD2-CD1 3.56Å; M319-L325 HydrophobicContact CB-CD1 3.72Å; M319-L325 HydrophobicContact CB-CG 3.98Å; M319-L325 HydrophobicContact CE-CD1 4.06Å; M319-L325 HydrophobicContact CE-CD2 4.44Å; M319-L325 HydrophobicContact CE-CG 4.04Å; M319-L325 PolarHBondContact O-N 3.23Å; M319-L325 HydrophobicContact SD-CD1 4.1Å; L325-E327 PolarHBondContact O-N 3.02Å; L325-G328 PolarHBondContact O-N 3.47Å; L325-D373 WeakPolarHBondContact CA-OD1 3.49Å; L325-A376 HydrophobicContact CD2-CB 3.57Å; L325-V377 HydrophobicContact CD1-CG2 4.24Å |
| 326 | F | 95 | Very high | 95 | Very high | 11 Ų | 11 | 55.7 Ų | 55.7 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | 55.8 | 27.5 | 169.9 | -37.2 | -54.6 | 0 | 0 | 0 | 113.7 | A320 G328 R329 L334 L362 L367 D373 V377 | A320-F326 HydrophobicContact CB-CD2 3.94Å; A320-F326 HydrophobicContact CB-CE2 4.44Å; F326-G328 PolarHBondContact O-N 3.49Å; F326-G328 VanDerWaalsContact O-N 3.08Å; F326-R329 HydrophobicContact CB-CB 4.36Å; F326-R329 WeakPolarHBondContact O-CB 3.1Å; F326-R329 PolarHBondContact O-N 3.46Å; F326-L334 HydrophobicContact CD2-CD2 4.33Å; F326-L334 HydrophobicContact CE2-CD2 4.06Å; F326-L362 HydrophobicContact CE1-CD1 4.21Å; F326-L362 HydrophobicContact CE1-CD2 4.31Å; F326-L362 HydrophobicContact CZ-CD2 4.02Å; F326-L367 HydrophobicContact CB-CD2 4.37Å; F326-L367 HydrophobicContact CD1-CD1 4.4Å; F326-L367 HydrophobicContact CD2-CD1 4.19Å; F326-L367 HydrophobicContact CD2-CD2 4.22Å; F326-L367 HydrophobicContact CE1-CD1 4.19Å; F326-L367 HydrophobicContact CE2-CD1 3.99Å; F326-L367 HydrophobicContact CG-CD1 4.4Å; F326-L367 HydrophobicContact CG-CD2 4.2Å; F326-L367 HydrophobicContact CZ-CD1 3.99Å; F326-D373 HydrophobicContact CD1-CB 3.92Å; F326-D373 HydrophobicContact CE1-CB 3.86Å; F326-D373 PolarHBondContact N-OD1 3.43Å; F326-V377 HydrophobicContact CE1-CG2 4.29Å; F326-V377 HydrophobicContact CZ-CG2 3.97Å |
| 327 | E | 91.9 | Very high | 94.8 | Very high | 194 Ų | 194 | 61.8 Ų | 61.8 | 91% | 0.907 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | 54.1 | 27.6 | -175.1 | -55.5 | 179.3 | 171.7 | 0 | 0 | 113.6 | L325 R329 | L325-E327 PolarHBondContact O-N 3.02Å; E327-R329 VanDerWaalsContact C-N 3.33Å |
| 328 | G | 91.5 | Very high | 94.4 | Very high | 33 Ų | 33 | 63.2 Ų | 63.2 | 34% | 0.34 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | 84.4 | -0.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A320 L325 F326 | A320-G328 WeakPolarHBondContact O-CA 3.45Å; L325-G328 PolarHBondContact O-N 3.47Å; F326-G328 PolarHBondContact O-N 3.49Å; F326-G328 VanDerWaalsContact O-N 3.08Å |
| 329 | R | 93.3 | Very high | 94.3 | Very high | 129 Ų | 129 | 62 Ų | 62 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | trans | -69.4 | 132.3 | 178.2 | -172.3 | 177.9 | -81.6 | 173 | 0.2 | 110.6 | F326 E327 E368 | F326-R329 HydrophobicContact CB-CB 4.36Å; F326-R329 WeakPolarHBondContact O-CB 3.1Å; F326-R329 PolarHBondContact O-N 3.46Å; E327-R329 VanDerWaalsContact C-N 3.33Å; R329-E368 IonicContact CZ-OE2 3.27Å; R329-E368 IonicContact NH1-OE2 2.75Å; R329-E368 PolarHBondContact NH1-OE2 3.38Å; R329-E368 IonicContact NH2-OE2 3.63Å | ||
| 330 | I | 94 | Very high | 94.2 | Very high | 60 Ų | 60 | 62 Ų | 62 | 31% | 0.308 | 33% | 0.331 | S | S | . | . | trans | -128.4 | 133.8 | 177.1 | -61.6 | 171.6 | 0 | 0 | 0 | 108.2 | A320 R321 L335 | A320-I330 HydrophobicContact CB-CD1 4.45Å; A320-I330 HydrophobicContact CB-CG1 3.83Å; R321-I330 HydrophobicContact CB-CD1 4.3Å; R321-I330 HydrophobicContact CG-CD1 3.34Å; I330-L335 HydrophobicContact CG2-CD1 3.76Å; I330-L335 HydrophobicContact CG2-CD2 3.74Å; I330-L335 HydrophobicContact CG2-CG 3.54Å | ||
| 331 | T | 95.6 | Very high | 94.2 | Very high | 11 Ų | 11 | 66.3 Ų | 66.3 | 7% | 0.067 | 35% | 0.351 | C | S | . | . | trans | -112.2 | 155.6 | 180 | 61.6 | 0 | 0 | 0 | 0 | 111.6 | E333 L334 L335 F365 S366 L367 | T331-E333 WeakPolarHBondContact CB-OE2 3.33Å; T331-E333 PolarHBondContact O-N 2.72Å; T331-L334 PolarHBondContact O-N 3.25Å; T331-L334 WeakPolarHBondContact OG1-CB 3.46Å; T331-L334 PolarHBondContact OG1-N 3.18Å; T331-L335 PolarHBondContact O-N 3.02Å; T331-L335 VanDerWaalsContact O-N 3.08Å; T331-F365 WeakPolarHBondContact CB-O 3.39Å; T331-F365 WeakPolarHBondContact CG2-O 3.29Å; T331-F365 PolarHBondContact OG1-O 3.31Å; T331-S366 WeakPolarHBondContact CG2-O 3.47Å; T331-L367 HydrophobicContact CG2-CD2 3.68Å; T331-L367 HydrophobicContact CG2-CG 4.19Å | ||
| 332 | P | 95.2 | Very high | 94.2 | Very high | 94 Ų | 94 | 60 Ų | 60 | 61% | 0.61 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -54.5 | -37.5 | 173.5 | -26.2 | 35.5 | 0 | 0 | 0 | 113 | L335 T336 | P332-L335 PolarHBondContact O-N 2.89Å; P332-T336 WeakPolarHBondContact O-CB 3.31Å; P332-T336 PolarHBondContact O-N 2.68Å; P332-T336 PolarHBondContact O-OG1 3.01Å |
| 333 | E | 94.6 | Very high | 94.2 | Very high | 69 Ų | 69 | 62.7 Ų | 62.7 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 178.4 | -62.4 | 78.9 | -177.7 | 0 | 0 | 111.4 | T331 L335 T336 T339 F365 S366 | T331-E333 WeakPolarHBondContact CB-OE2 3.33Å; T331-E333 PolarHBondContact O-N 2.72Å; E333-L335 VanDerWaalsContact C-N 3.31Å; E333-L335 PolarHBondContact O-N 3.33Å; E333-T336 PolarHBondContact O-N 2.71Å; E333-T339 WeakPolarHBondContact O-CB 3.38Å; E333-T339 WeakPolarHBondContact O-CG2 3.45Å; E333-T339 PolarHBondContact O-OG1 3.13Å; E333-F365 HydrophobicContact CB-CB 3.99Å; E333-F365 HydrophobicContact CB-CD1 4.26Å; E333-F365 HydrophobicContact CB-CG 4.47Å; E333-S366 PolarHBondContact OE1-OG 3.13Å |
| 334 | L | 94.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.4 | -34 | 176 | -177.4 | 62.4 | 0 | 0 | 0 | 111.7 | R313 L316 V317 A320 F326 T331 L367 | R313-L334 WeakPolarHBondContact CD-O 3.47Å; R313-L334 HydrophobicContact CG-CD1 4.31Å; R313-L334 WeakPolarHBondContact CG-O 3.34Å; R313-L334 PolarHBondContact NH1-O 2.96Å; L316-L334 HydrophobicContact CB-CD1 4.15Å; V317-L334 HydrophobicContact CG2-CD1 4.32Å; V317-L334 HydrophobicContact CG2-CD2 4.47Å; V317-L334 HydrophobicContact CG2-CG 3.86Å; V317-L334 WeakPolarHBondContact CG2-O 3.29Å; A320-L334 HydrophobicContact CB-CD2 4.43Å; F326-L334 HydrophobicContact CD2-CD2 4.33Å; F326-L334 HydrophobicContact CE2-CD2 4.06Å; T331-L334 PolarHBondContact O-N 3.25Å; T331-L334 WeakPolarHBondContact OG1-CB 3.46Å; T331-L334 PolarHBondContact OG1-N 3.18Å; L334-L367 HydrophobicContact CD2-CD1 4.38Å |
| 335 | L | 95.1 | Very high | 94.7 | Very high | 80 Ų | 80 | 58.4 Ų | 58.4 | 42% | 0.419 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -75.4 | -23 | 176.5 | -70.4 | 174.8 | 0 | 0 | 0 | 113.5 | R313 V317 I330 T331 P332 E333 K337 | R313-L335 VanDerWaalsContact NH1-C 3.28Å; R313-L335 PolarHBondContact NH1-O 3.48Å; V317-L335 HydrophobicContact CG1-CD2 3.87Å; V317-L335 HydrophobicContact CG2-CD2 4.3Å; I330-L335 HydrophobicContact CG2-CD1 3.76Å; I330-L335 HydrophobicContact CG2-CD2 3.74Å; I330-L335 HydrophobicContact CG2-CG 3.54Å; T331-L335 PolarHBondContact O-N 3.02Å; T331-L335 VanDerWaalsContact O-N 3.08Å; P332-L335 PolarHBondContact O-N 2.89Å; E333-L335 VanDerWaalsContact C-N 3.31Å; E333-L335 PolarHBondContact O-N 3.33Å; L335-K337 PolarHBondContact O-N 2.66Å |
| 336 | T | 95.5 | Very high | 94.8 | Very high | 74 Ų | 74 | 59 Ų | 59 | 45% | 0.454 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -75.5 | 124.3 | -176.4 | -61.6 | 0 | 0 | 0 | 0 | 111 | R313 P332 E333 G338 T339 | R313-T336 VanDerWaalsContact CD-O 3.24Å; R313-T336 WeakPolarHBondContact CD-O 3.48Å; P332-T336 WeakPolarHBondContact O-CB 3.31Å; P332-T336 PolarHBondContact O-N 2.68Å; P332-T336 PolarHBondContact O-OG1 3.01Å; E333-T336 PolarHBondContact O-N 2.71Å; T336-G338 PolarHBondContact O-N 3.14Å; T336-T339 HydrophobicContact CG2-CG2 3.78Å; T336-T339 WeakPolarHBondContact O-CG2 3.5Å; T336-T339 PolarHBondContact O-OG1 3.43Å |
| 337 | K | 93.6 | Very high | 94.9 | Very high | 129 Ų | 129 | 59.4 Ų | 59.4 | 56% | 0.561 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 135.2 | 177.4 | 177.8 | -179.9 | 177.1 | -165.1 | 0 | 111.2 | G290 L335 T339 | G290-K337 PolarHBondContact O-NZ 3.39Å; L335-K337 PolarHBondContact O-N 2.66Å; K337-T339 VanDerWaalsContact C-N 3.34Å; K337-T339 PolarHBondContact O-N 3.16Å |
| 338 | G | 90.9 | Very high | 95.1 | Very high | 36 Ų | 36 | 50.2 Ų | 50.2 | 37% | 0.371 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 1.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | E310 T336 | E310-G338 PolarHBondContact OE2-N 3.09Å; T336-G338 PolarHBondContact O-N 3.14Å |
| 339 | T | 93.9 | Very high | 95.4 | Very high | 39 Ų | 39 | 49 Ų | 49 | 24% | 0.239 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -68.1 | -37.2 | 175.3 | 52.9 | 0 | 0 | 0 | 0 | 112.3 | E333 T336 K337 H344 | E333-T339 WeakPolarHBondContact O-CB 3.38Å; E333-T339 WeakPolarHBondContact O-CG2 3.45Å; E333-T339 PolarHBondContact O-OG1 3.13Å; T336-T339 HydrophobicContact CG2-CG2 3.78Å; T336-T339 WeakPolarHBondContact O-CG2 3.5Å; T336-T339 PolarHBondContact O-OG1 3.43Å; K337-T339 VanDerWaalsContact C-N 3.34Å; K337-T339 PolarHBondContact O-N 3.16Å; T339-H344 PolarHBondContact O-CE1 3.34Å; T339-H344 PolarHBondContact O-ND1 3.15Å |
| 340 | L | 95.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -92.6 | 105.8 | 171.1 | -156.5 | 163 | 0 | 0 | 0 | 110.2 | G309 V312 R313 L316 H344 V345 M348 F365 | G309-L340 CarbonylContact C-O 3.08Å; G309-L340 VanDerWaalsContact CA-O 3.3Å; G309-L340 WeakPolarHBondContact CA-O 3.29Å; G309-L340 WeakPolarHBondContact O-CD2 3.44Å; V312-L340 HydrophobicContact CB-CD2 4.24Å; V312-L340 HydrophobicContact CG1-CD1 3.9Å; V312-L340 HydrophobicContact CG1-CD2 4.21Å; R313-L340 HydrophobicContact CB-CB 3.95Å; R313-L340 HydrophobicContact CG-CB 4.22Å; L316-L340 HydrophobicContact CD1-CD1 3.68Å; L340-H344 HydrophobicContact CD2-CB 4.18Å; L340-H344 HydrophobicContact CG-CB 4.47Å; L340-V345 HydrophobicContact CD2-CG2 3.81Å; L340-M348 HydrophobicContact CD2-CE 4.41Å; L340-F365 HydrophobicContact CB-CE2 4.28Å; L340-F365 HydrophobicContact CB-CZ 4.2Å; L340-F365 HydrophobicContact CD1-CE2 4.25Å; L340-F365 HydrophobicContact CG-CE2 4.28Å; L340-F365 HydrophobicContact CG-CZ 4.44Å |
| 341 | Q | 95.7 | Very high | 95.1 | Very high | 90 Ų | 90 | 49.1 Ų | 49.1 | 42% | 0.421 | 27% | 0.27 | S | S | . | . | trans | -95.6 | 158.5 | 179.9 | -63.3 | -178.8 | -4.3 | 0 | 0 | 111.5 | K343 H344 V345 | Q341-K343 HydrophobicContact CB-CD 4.48Å; Q341-K343 HydrophobicContact CB-CG 4.06Å; Q341-K343 PolarHBondContact O-N 3.28Å; Q341-K343 VanDerWaalsContact O-N 3.13Å; Q341-H344 PolarHBondContact N-ND1 3.27Å; Q341-H344 VanDerWaalsContact N-ND1 3.19Å; Q341-H344 WeakPolarHBondContact O-CA 3.48Å; Q341-H344 WeakPolarHBondContact O-CB 3.4Å; Q341-H344 PolarHBondContact O-N 3.4Å; Q341-V345 PolarHBondContact O-N 3Å | ||
| 342 | T | 96.4 | Very high | 94.8 | Very high | 16 Ų | 16 | 58.2 Ų | 58.2 | 10% | 0.098 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.5 | -29 | 177.8 | -57.4 | 0 | 0 | 0 | 0 | 113.4 | G305 M308 G309 H344 V345 S346 L422 | G305-T342 VanDerWaalsContact O-CB 3.29Å; G305-T342 WeakPolarHBondContact O-CB 3.42Å; G305-T342 PolarHBondContact O-OG1 3.09Å; M308-T342 HydrophobicContact CB-CG2 4.08Å; M308-T342 HydrophobicContact CG-CG2 4.29Å; M308-T342 HydrophobicContact SD-CG2 3.9Å; G309-T342 PolarHBondContact N-OG1 2.66Å; G309-T342 VanDerWaalsContact N-OG1 3.09Å; T342-H344 PolarHBondContact O-N 2.95Å; T342-V345 WeakPolarHBondContact O-CB 3.35Å; T342-V345 PolarHBondContact O-N 3.34Å; T342-V345 VanDerWaalsContact O-N 3.13Å; T342-S346 PolarHBondContact O-N 2.99Å; T342-S346 PolarHBondContact O-OG 3.33Å; T342-L422 HydrophobicContact CG2-CD1 3.88Å |
| 343 | K | 96 | Very high | 94.7 | Very high | 131 Ų | 131 | 58.3 Ų | 58.3 | 57% | 0.57 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60 | -32 | 171.8 | 75.4 | -170.5 | -173.2 | -163.4 | 0 | 112.5 | Q341 A347 | Q341-K343 HydrophobicContact CB-CD 4.48Å; Q341-K343 HydrophobicContact CB-CG 4.06Å; Q341-K343 PolarHBondContact O-N 3.28Å; Q341-K343 VanDerWaalsContact O-N 3.13Å; K343-A347 WeakPolarHBondContact O-CB 3.32Å; K343-A347 PolarHBondContact O-N 3.45Å |
| 344 | H | 97.4 | Very high | 94.6 | Very high | 27 Ų | 27 | 55.1 Ų | 55.1 | 13% | 0.125 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.9 | -42.7 | 174.8 | -57.2 | 157.6 | 0 | 0 | 0 | 110.6 | T339 L340 Q341 T342 S346 A347 M348 I361 | T339-H344 PolarHBondContact O-CE1 3.34Å; T339-H344 PolarHBondContact O-ND1 3.15Å; L340-H344 HydrophobicContact CD2-CB 4.18Å; L340-H344 HydrophobicContact CG-CB 4.47Å; Q341-H344 PolarHBondContact N-ND1 3.27Å; Q341-H344 VanDerWaalsContact N-ND1 3.19Å; Q341-H344 WeakPolarHBondContact O-CA 3.48Å; Q341-H344 WeakPolarHBondContact O-CB 3.4Å; Q341-H344 PolarHBondContact O-N 3.4Å; T342-H344 PolarHBondContact O-N 2.95Å; H344-S346 PolarHBondContact O-N 3.47Å; H344-A347 PolarHBondContact O-N 3.19Å; H344-M348 HydrophobicContact CB-CE 4.28Å; H344-M348 WeakPolarHBondContact O-CE 3.3Å; H344-M348 VanDerWaalsContact O-CG 3.32Å; H344-M348 WeakPolarHBondContact O-CG 3.34Å; H344-M348 PolarHBondContact O-N 3.16Å; H344-I361 HydrophobicContact CB-CD1 3.94Å; H344-I361 HydrophobicContact CB-CG2 4.1Å |
| 345 | V | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56 | -51.4 | 173.2 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | M308 V312 L340 Q341 T342 A347 M348 E349 C381 | M308-V345 HydrophobicContact CG-CG1 4.39Å; M308-V345 HydrophobicContact CG-CG2 4.48Å; M308-V345 HydrophobicContact SD-CG1 4.08Å; V312-V345 HydrophobicContact CB-CG2 4.38Å; V312-V345 HydrophobicContact CG2-CG2 3.95Å; L340-V345 HydrophobicContact CD2-CG2 3.81Å; Q341-V345 PolarHBondContact O-N 3Å; T342-V345 WeakPolarHBondContact O-CB 3.35Å; T342-V345 PolarHBondContact O-N 3.34Å; T342-V345 VanDerWaalsContact O-N 3.13Å; V345-A347 VanDerWaalsContact C-N 3.29Å; V345-A347 PolarHBondContact O-N 3.48Å; V345-M348 PolarHBondContact O-N 3.45Å; V345-E349 PolarHBondContact O-N 3.22Å; V345-C381 HydrophobicContact CG1-CB 3.8Å |
| 346 | S | 96.9 | Very high | 94.6 | Very high | 14 Ų | 14 | 59.8 Ų | 59.8 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.9 | -37.9 | 176.7 | -60.6 | 0 | 0 | 0 | 0 | 113.2 | T342 H344 H426 P427 | T342-S346 PolarHBondContact O-N 2.99Å; T342-S346 PolarHBondContact O-OG 3.33Å; H344-S346 PolarHBondContact O-N 3.47Å; S346-H426 PolarHBondContact OG-CD2 2.96Å; S346-H426 VanDerWaalsContact OG-CD2 3.26Å; S346-P427 WeakPolarHBondContact O-CD 3.27Å |
| 347 | A | 96.8 | Very high | 94.6 | Very high | 20 Ų | 20 | 58.9 Ų | 58.9 | 17% | 0.165 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.8 | -42.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | K343 H344 V345 E349 K350 K357 I361 | K343-A347 WeakPolarHBondContact O-CB 3.32Å; K343-A347 PolarHBondContact O-N 3.45Å; H344-A347 PolarHBondContact O-N 3.19Å; V345-A347 VanDerWaalsContact C-N 3.29Å; V345-A347 PolarHBondContact O-N 3.48Å; A347-E349 VanDerWaalsContact C-N 3.28Å; A347-E349 PolarHBondContact O-N 3.37Å; A347-K350 WeakPolarHBondContact O-CB 3.25Å; A347-K350 WeakPolarHBondContact O-CG 3.48Å; A347-K350 PolarHBondContact O-N 2.72Å; A347-K357 HydrophobicContact CB-CB 4.27Å; A347-K357 HydrophobicContact CB-CG 4.45Å; A347-I361 HydrophobicContact CB-CD1 4.07Å |
| 348 | M | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.9 | -26.5 | 178 | -68.8 | -172.6 | -77.1 | 0 | 0 | 112.6 | L340 H344 V345 G354 A358 I361 V377 Q378 C381 | L340-M348 HydrophobicContact CD2-CE 4.41Å; H344-M348 HydrophobicContact CB-CE 4.28Å; H344-M348 WeakPolarHBondContact O-CE 3.3Å; H344-M348 VanDerWaalsContact O-CG 3.32Å; H344-M348 WeakPolarHBondContact O-CG 3.34Å; H344-M348 PolarHBondContact O-N 3.16Å; V345-M348 PolarHBondContact O-N 3.45Å; M348-G354 CarbonylContact O-C 3.39Å; M348-G354 WeakPolarHBondContact O-CA 3.24Å; M348-A358 HydrophobicContact CB-CB 4.4Å; M348-A358 HydrophobicContact CG-CB 3.84Å; M348-A358 HydrophobicContact SD-CB 3.88Å; M348-I361 HydrophobicContact CG-CD1 4.07Å; M348-V377 HydrophobicContact CE-CG1 4.21Å; M348-V377 HydrophobicContact SD-CG1 3.72Å; M348-Q378 WeakPolarHBondContact O-CG 3.46Å; M348-Q378 PolarHBondContact O-NE2 3.27Å; M348-C381 WeakPolarHBondContact CE-SG 3.31Å |
| 349 | E | 96.6 | Very high | 95 | Very high | 7 Ų | 7 | 56.5 Ų | 56.5 | 3% | 0.033 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 7.5 | 176.3 | -73.6 | -156.7 | -119.3 | 0 | 0 | 114.7 | V345 A347 S351 C381 S382 S385 H426 P427 H428 R432 | V345-E349 PolarHBondContact O-N 3.22Å; A347-E349 VanDerWaalsContact C-N 3.28Å; A347-E349 PolarHBondContact O-N 3.37Å; E349-S351 PolarHBondContact O-N 3.2Å; E349-C381 HydrophobicContact CG-CB 3.96Å; E349-C381 VanDerWaalsContact OE1-O 3.07Å; E349-S382 WeakPolarHBondContact OE1-CA 3.12Å; E349-S382 PolarHBondContact OE1-N 3.3Å; E349-S382 WeakPolarHBondContact OE2-CA 3.36Å; E349-S385 WeakPolarHBondContact OE1-CB 3.36Å; E349-S385 PolarHBondContact OE1-OG 3.41Å; E349-H426 IonicContact OE1-CE1 2.65Å; E349-H426 PolarHBondContact OE1-CE1 2.77Å; E349-H426 IonicContact OE1-NE2 2.77Å; E349-H426 PolarHBondContact OE1-NE2 3.45Å; E349-H426 VanDerWaalsContact OE1-NE2 3.14Å; E349-H426 IonicContact OE2-CE1 2.84Å; E349-P427 HydrophobicContact CB-CG 4.16Å; E349-P427 WeakPolarHBondContact O-CG 3.48Å; E349-H428 PolarHBondContact O-CD2 3.21Å; E349-H428 VanDerWaalsContact O-CD2 3.28Å; E349-H428 PolarHBondContact O-NE2 3.16Å; E349-H428 IonicContact OE2-CD2 3.63Å; E349-R432 IonicContact OE1-NH1 3.53Å; E349-R432 IonicContact OE2-CZ 3.97Å; E349-R432 VanDerWaalsContact OE2-CZ 3.29Å; E349-R432 IonicContact OE2-NH1 3.31Å; E349-R432 PolarHBondContact OE2-NH1 2.97Å; E349-R432 IonicContact OE2-NH2 3.66Å; E349-R432 PolarHBondContact OE2-NH2 3.32Å |
| 350 | K | 93.9 | Very high | 95.1 | Very high | 92 Ų | 92 | 58.6 Ų | 58.6 | 40% | 0.4 | 29% | 0.286 | S | S | . | . | trans | -64.9 | 132.7 | 173.7 | -73.7 | -178 | 174.8 | -175.1 | 0 | 111.1 | A347 K352 G354 P427 | A347-K350 WeakPolarHBondContact O-CB 3.25Å; A347-K350 WeakPolarHBondContact O-CG 3.48Å; A347-K350 PolarHBondContact O-N 2.72Å; K350-K352 VanDerWaalsContact C-N 3.32Å; K350-K352 PolarHBondContact O-N 3.04Å; K350-G354 WeakPolarHBondContact O-CA 3.47Å; K350-G354 PolarHBondContact O-N 2.87Å; K350-P427 HydrophobicContact CG-CG 4.48Å | ||
| 351 | S | 87.7 | Confident | 95.1 | Very high | 100 Ų | 100 | 59 Ų | 59 | 70% | 0.699 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -29.3 | -172.8 | -50.4 | 0 | 0 | 0 | 0 | 115.6 | E349 H428 | E349-S351 PolarHBondContact O-N 3.2Å; S351-H428 PolarHBondContact OG-CE1 3.36Å; S351-H428 PolarHBondContact OG-NE2 3.49Å |
| 352 | K | 88.6 | Confident | 95 | Very high | 203 Ų | 203 | 54.8 Ų | 54.8 | 88% | 0.883 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -37.7 | -178.5 | -67.6 | -174.7 | 178 | -178.1 | 0 | 113.3 | K350 | K350-K352 VanDerWaalsContact C-N 3.32Å; K350-K352 PolarHBondContact O-N 3.04Å |
| 353 | E | 93.2 | Very high | 94.9 | Very high | 95 Ų | 95 | 56.7 Ų | 56.7 | 44% | 0.444 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -0.3 | -169.7 | -65 | 171 | -171 | 0 | 0 | 112.9 | L355 I356 K357 | E353-L355 PolarHBondContact O-N 3.05Å; E353-I356 WeakPolarHBondContact O-CB 3.46Å; E353-I356 PolarHBondContact O-N 3.49Å; E353-I356 VanDerWaalsContact O-N 3.07Å; E353-K357 HydrophobicContact CB-CG 4.36Å; E353-K357 WeakPolarHBondContact O-CG 3.46Å; E353-K357 PolarHBondContact O-N 3.14Å |
| 354 | G | 93.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.3 | -43.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | M348 K350 K357 A358 | M348-G354 CarbonylContact O-C 3.39Å; M348-G354 WeakPolarHBondContact O-CA 3.24Å; K350-G354 WeakPolarHBondContact O-CA 3.47Å; K350-G354 PolarHBondContact O-N 2.87Å; G354-K357 PolarHBondContact O-N 3.2Å; G354-A358 WeakPolarHBondContact O-CB 3.33Å; G354-A358 PolarHBondContact O-N 3.4Å |
| 355 | L | 93.9 | Very high | 94.4 | Very high | 79 Ų | 79 | 56 Ų | 56 | 41% | 0.414 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.8 | -35.8 | 177.1 | -66.4 | 176.1 | 0 | 0 | 0 | 112.5 | E353 A358 K359 C374 A375 Q378 | E353-L355 PolarHBondContact O-N 3.05Å; L355-A358 PolarHBondContact O-N 3.34Å; L355-K359 PolarHBondContact O-N 3.49Å; L355-C374 HydrophobicContact CD2-CB 4.37Å; L355-A375 HydrophobicContact CD2-CB 4.14Å; L355-Q378 HydrophobicContact CD2-CB 4.29Å |
| 356 | I | 95.3 | Very high | 94.1 | Very high | 100 Ų | 100 | 59.4 Ų | 59.4 | 51% | 0.513 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.7 | -46 | 175.7 | -58.2 | 174.5 | 0 | 0 | 0 | 109.2 | E353 A358 K359 E360 | E353-I356 WeakPolarHBondContact O-CB 3.46Å; E353-I356 PolarHBondContact O-N 3.49Å; E353-I356 VanDerWaalsContact O-N 3.07Å; I356-A358 VanDerWaalsContact C-N 3.33Å; I356-A358 PolarHBondContact O-N 3.17Å; I356-K359 WeakPolarHBondContact O-CB 3.35Å; I356-K359 PolarHBondContact O-N 3.35Å; I356-E360 WeakPolarHBondContact O-CG 3.49Å; I356-E360 PolarHBondContact O-N 3.33Å |
| 357 | K | 96.1 | Very high | 93.8 | Very high | 55 Ų | 55 | 59 Ų | 59 | 24% | 0.239 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.9 | -36.9 | 175.5 | -65.7 | -55.3 | 175.4 | -164.7 | 0 | 112.7 | A347 E353 G354 E360 I361 | A347-K357 HydrophobicContact CB-CB 4.27Å; A347-K357 HydrophobicContact CB-CG 4.45Å; E353-K357 HydrophobicContact CB-CG 4.36Å; E353-K357 WeakPolarHBondContact O-CG 3.46Å; E353-K357 PolarHBondContact O-N 3.14Å; G354-K357 PolarHBondContact O-N 3.2Å; K357-E360 VanDerWaalsContact CD-OE2 3.22Å; K357-E360 WeakPolarHBondContact CD-OE2 3.46Å; K357-E360 IonicContact NZ-OE1 3.76Å; K357-E360 PolarHBondContact NZ-OE1 3.47Å; K357-E360 IonicContact NZ-OE2 3.9Å; K357-E360 PolarHBondContact NZ-OE2 3.02Å; K357-E360 PolarHBondContact O-N 3.28Å; K357-I361 HydrophobicContact CB-CD1 4.44Å; K357-I361 WeakPolarHBondContact O-CB 3.28Å; K357-I361 WeakPolarHBondContact O-CD1 3.31Å; K357-I361 WeakPolarHBondContact O-CG1 3.4Å; K357-I361 PolarHBondContact O-N 2.99Å |
| 358 | A | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | M348 G354 L355 I356 I361 L362 C374 | M348-A358 HydrophobicContact CB-CB 4.4Å; M348-A358 HydrophobicContact CG-CB 3.84Å; M348-A358 HydrophobicContact SD-CB 3.88Å; G354-A358 WeakPolarHBondContact O-CB 3.33Å; G354-A358 PolarHBondContact O-N 3.4Å; L355-A358 PolarHBondContact O-N 3.34Å; I356-A358 VanDerWaalsContact C-N 3.33Å; I356-A358 PolarHBondContact O-N 3.17Å; A358-I361 PolarHBondContact O-N 3.18Å; A358-L362 WeakPolarHBondContact O-CB 3.25Å; A358-L362 WeakPolarHBondContact O-CD1 3.46Å; A358-L362 WeakPolarHBondContact O-CG 3.37Å; A358-L362 PolarHBondContact O-N 2.87Å; A358-C374 HydrophobicContact CB-CB 4.06Å |
| 359 | K | 96.1 | Very high | 93.4 | Very high | 114 Ų | 114 | 65.8 Ų | 65.8 | 50% | 0.496 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.4 | -51.1 | 175.8 | -170.4 | 172.3 | -176.6 | 173.5 | 0 | 112.1 | L355 I356 I361 L362 S363 P369 | L355-K359 PolarHBondContact O-N 3.49Å; I356-K359 WeakPolarHBondContact O-CB 3.35Å; I356-K359 PolarHBondContact O-N 3.35Å; K359-I361 PolarHBondContact O-N 2.7Å; K359-L362 PolarHBondContact O-N 2.97Å; K359-S363 WeakPolarHBondContact O-CB 3.46Å; K359-S363 PolarHBondContact O-N 3.27Å; K359-S363 PolarHBondContact O-OG 3.39Å; K359-S363 VanDerWaalsContact O-OG 3.09Å; K359-P369 HydrophobicContact CG-CG 4.27Å |
| 360 | E | 95.9 | Very high | 93.3 | Very high | 83 Ų | 83 | 67.8 Ų | 67.8 | 39% | 0.388 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.4 | -48.6 | 179.3 | -73.2 | 173.2 | -165.6 | 0 | 0 | 112.2 | I356 K357 Q364 | I356-E360 WeakPolarHBondContact O-CG 3.49Å; I356-E360 PolarHBondContact O-N 3.33Å; K357-E360 VanDerWaalsContact CD-OE2 3.22Å; K357-E360 WeakPolarHBondContact CD-OE2 3.46Å; K357-E360 IonicContact NZ-OE1 3.76Å; K357-E360 PolarHBondContact NZ-OE1 3.47Å; K357-E360 IonicContact NZ-OE2 3.9Å; K357-E360 PolarHBondContact NZ-OE2 3.02Å; K357-E360 PolarHBondContact O-N 3.28Å; E360-Q364 WeakPolarHBondContact O-CG 3.42Å; E360-Q364 PolarHBondContact O-N 3.37Å |
| 361 | I | 95.6 | Very high | 93.2 | Very high | 12 Ų | 12 | 71.1 Ų | 71.1 | 6% | 0.062 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.2 | -44.7 | -176.2 | -67.9 | 163.5 | 0 | 0 | 0 | 110.9 | H344 A347 M348 K357 A358 K359 S363 Q364 F365 | H344-I361 HydrophobicContact CB-CD1 3.94Å; H344-I361 HydrophobicContact CB-CG2 4.1Å; A347-I361 HydrophobicContact CB-CD1 4.07Å; M348-I361 HydrophobicContact CG-CD1 4.07Å; K357-I361 HydrophobicContact CB-CD1 4.44Å; K357-I361 WeakPolarHBondContact O-CB 3.28Å; K357-I361 WeakPolarHBondContact O-CD1 3.31Å; K357-I361 WeakPolarHBondContact O-CG1 3.4Å; K357-I361 PolarHBondContact O-N 2.99Å; A358-I361 PolarHBondContact O-N 3.18Å; K359-I361 PolarHBondContact O-N 2.7Å; I361-S363 VanDerWaalsContact C-N 3.31Å; I361-S363 PolarHBondContact O-N 3.5Å; I361-Q364 WeakPolarHBondContact O-CB 3.48Å; I361-Q364 PolarHBondContact O-N 3.37Å; I361-Q364 VanDerWaalsContact O-N 3.15Å; I361-F365 HydrophobicContact CG2-CE2 4.08Å; I361-F365 HydrophobicContact CG2-CZ 4.07Å |
| 362 | L | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 179.4 | -69.6 | 169.9 | 0 | 0 | 0 | 111.1 | L316 F326 A358 K359 Q364 F365 L367 P369 V377 | L316-L362 HydrophobicContact CD1-CD2 4.37Å; F326-L362 HydrophobicContact CE1-CD1 4.21Å; F326-L362 HydrophobicContact CE1-CD2 4.31Å; F326-L362 HydrophobicContact CZ-CD2 4.02Å; A358-L362 WeakPolarHBondContact O-CB 3.25Å; A358-L362 WeakPolarHBondContact O-CD1 3.46Å; A358-L362 WeakPolarHBondContact O-CG 3.37Å; A358-L362 PolarHBondContact O-N 2.87Å; K359-L362 PolarHBondContact O-N 2.97Å; L362-Q364 VanDerWaalsContact C-N 3.27Å; L362-Q364 PolarHBondContact O-N 2.92Å; L362-F365 HydrophobicContact CD2-CD2 4.46Å; L362-F365 WeakPolarHBondContact O-CB 3.23Å; L362-F365 PolarHBondContact O-N 3.19Å; L362-L367 HydrophobicContact CD2-CD1 4.3Å; L362-L367 WeakPolarHBondContact O-CB 3.42Å; L362-P369 HydrophobicContact CB-CB 4.03Å; L362-P369 HydrophobicContact CB-CG 3.79Å; L362-P369 HydrophobicContact CD1-CB 3.99Å; L362-V377 HydrophobicContact CD1-CB 4.11Å; L362-V377 HydrophobicContact CD1-CG1 4.29Å; L362-V377 HydrophobicContact CD1-CG2 3.82Å; L362-V377 HydrophobicContact CD2-CG1 4.4Å; L362-V377 HydrophobicContact CD2-CG2 4.3Å |
| 363 | S | 93.7 | Very high | 93.6 | Very high | 57 Ų | 57 | 61.7 Ų | 61.7 | 40% | 0.399 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.3 | -28.4 | 173.6 | -69.5 | 0 | 0 | 0 | 0 | 113.7 | K359 I361 F365 S366 L367 | K359-S363 WeakPolarHBondContact O-CB 3.46Å; K359-S363 PolarHBondContact O-N 3.27Å; K359-S363 PolarHBondContact O-OG 3.39Å; K359-S363 VanDerWaalsContact O-OG 3.09Å; I361-S363 VanDerWaalsContact C-N 3.31Å; I361-S363 PolarHBondContact O-N 3.5Å; S363-F365 PolarHBondContact O-N 3Å; S363-S366 PolarHBondContact O-N 3.17Å; S363-S366 VanDerWaalsContact O-N 3.17Å; S363-L367 WeakPolarHBondContact CA-O 3.45Å |
| 364 | Q | 92.6 | Very high | 93.7 | Very high | 129 Ų | 129 | 57.4 Ų | 57.4 | 60% | 0.603 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -67.1 | -17.8 | 172.5 | -69.3 | 168.2 | 10.1 | 0 | 0 | 113 | E360 I361 L362 S366 | E360-Q364 WeakPolarHBondContact O-CG 3.42Å; E360-Q364 PolarHBondContact O-N 3.37Å; I361-Q364 WeakPolarHBondContact O-CB 3.48Å; I361-Q364 PolarHBondContact O-N 3.37Å; I361-Q364 VanDerWaalsContact O-N 3.15Å; L362-Q364 VanDerWaalsContact C-N 3.27Å; L362-Q364 PolarHBondContact O-N 2.92Å; Q364-S366 PolarHBondContact O-N 2.58Å |
| 365 | F | 91.4 | Very high | 93.7 | Very high | 13 Ų | 13 | 59 Ų | 59 | 6% | 0.057 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 21.9 | 173.9 | -55.2 | -30.9 | 0 | 0 | 0 | 112.7 | T331 E333 L340 I361 L362 S363 L367 | T331-F365 WeakPolarHBondContact CB-O 3.39Å; T331-F365 WeakPolarHBondContact CG2-O 3.29Å; T331-F365 PolarHBondContact OG1-O 3.31Å; E333-F365 HydrophobicContact CB-CB 3.99Å; E333-F365 HydrophobicContact CB-CD1 4.26Å; E333-F365 HydrophobicContact CB-CG 4.47Å; L340-F365 HydrophobicContact CB-CE2 4.28Å; L340-F365 HydrophobicContact CB-CZ 4.2Å; L340-F365 HydrophobicContact CD1-CE2 4.25Å; L340-F365 HydrophobicContact CG-CE2 4.28Å; L340-F365 HydrophobicContact CG-CZ 4.44Å; I361-F365 HydrophobicContact CG2-CE2 4.08Å; I361-F365 HydrophobicContact CG2-CZ 4.07Å; L362-F365 HydrophobicContact CD2-CD2 4.46Å; L362-F365 WeakPolarHBondContact O-CB 3.23Å; L362-F365 PolarHBondContact O-N 3.19Å; S363-F365 PolarHBondContact O-N 3Å; F365-L367 HydrophobicContact CB-CD1 4.19Å; F365-L367 HydrophobicContact CB-CG 4.35Å; F365-L367 PolarHBondContact O-N 3.01Å; F365-L367 VanDerWaalsContact O-N 3.15Å |
| 366 | S | 90.9 | Very high | 93.8 | Very high | 72 Ų | 72 | 55.7 Ų | 55.7 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 24.3 | -178.9 | -51.9 | 0 | 0 | 0 | 0 | 113.1 | T331 E333 S363 Q364 | T331-S366 WeakPolarHBondContact CG2-O 3.47Å; E333-S366 PolarHBondContact OE1-OG 3.13Å; S363-S366 PolarHBondContact O-N 3.17Å; S363-S366 VanDerWaalsContact O-N 3.17Å; Q364-S366 PolarHBondContact O-N 2.58Å |
| 367 | L | 90.9 | Very high | 93.9 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | trans | -94 | 155.3 | 173.6 | -62.1 | 165.9 | 0 | 0 | 0 | 110.4 | F326 T331 L334 L362 S363 F365 P369 | F326-L367 HydrophobicContact CB-CD2 4.37Å; F326-L367 HydrophobicContact CD1-CD1 4.4Å; F326-L367 HydrophobicContact CD2-CD1 4.19Å; F326-L367 HydrophobicContact CD2-CD2 4.22Å; F326-L367 HydrophobicContact CE1-CD1 4.19Å; F326-L367 HydrophobicContact CE2-CD1 3.99Å; F326-L367 HydrophobicContact CG-CD1 4.4Å; F326-L367 HydrophobicContact CG-CD2 4.2Å; F326-L367 HydrophobicContact CZ-CD1 3.99Å; T331-L367 HydrophobicContact CG2-CD2 3.68Å; T331-L367 HydrophobicContact CG2-CG 4.19Å; L334-L367 HydrophobicContact CD2-CD1 4.38Å; L362-L367 HydrophobicContact CD2-CD1 4.3Å; L362-L367 WeakPolarHBondContact O-CB 3.42Å; S363-L367 WeakPolarHBondContact CA-O 3.45Å; F365-L367 HydrophobicContact CB-CD1 4.19Å; F365-L367 HydrophobicContact CB-CG 4.35Å; F365-L367 PolarHBondContact O-N 3.01Å; F365-L367 VanDerWaalsContact O-N 3.15Å; L367-P369 WeakPolarHBondContact O-CD 3.43Å | ||
| 368 | E | 91.1 | Very high | 93.9 | Very high | 151 Ų | 151 | 50.8 Ų | 50.8 | 71% | 0.706 | 27% | 0.265 | S | S | * | . | trans | -111.5 | 73.9 | 171.3 | -67.5 | 177.5 | 150.1 | 0 | 0 | 108.4 | R329 S370 | R329-E368 IonicContact CZ-OE2 3.27Å; R329-E368 IonicContact NH1-OE2 2.75Å; R329-E368 PolarHBondContact NH1-OE2 3.38Å; R329-E368 IonicContact NH2-OE2 3.63Å; E368-S370 PolarHBondContact O-N 3.19Å | ||
| 369 | P | 93.7 | Very high | 94 | Very high | 11 Ų | 11 | 52.9 Ų | 52.9 | 7% | 0.071 | 28% | 0.275 | C | S | . | . | trans | -70.5 | 131.8 | -171.9 | 31.6 | -38.3 | 0 | 0 | 0 | 111.2 | K359 L362 L367 D373 | K359-P369 HydrophobicContact CG-CG 4.27Å; L362-P369 HydrophobicContact CB-CB 4.03Å; L362-P369 HydrophobicContact CB-CG 3.79Å; L362-P369 HydrophobicContact CD1-CB 3.99Å; L367-P369 WeakPolarHBondContact O-CD 3.43Å; P369-D373 HydrophobicContact CB-CB 4.17Å | ||
| 370 | S | 94.2 | Very high | 94 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 34% | 0.343 | 25% | 0.251 | S | S | . | . | trans | -69.8 | 166 | 167.4 | 67.5 | 0 | 0 | 0 | 0 | 111.3 | E368 E372 D373 C374 | E368-S370 PolarHBondContact O-N 3.19Å; S370-E372 PolarHBondContact O-N 3.47Å; S370-E372 PolarHBondContact OG-N 3.45Å; S370-D373 WeakPolarHBondContact CB-OD2 3.45Å; S370-D373 PolarHBondContact N-OD2 3.14Å; S370-D373 PolarHBondContact O-N 3.41Å; S370-D373 PolarHBondContact OG-N 2.99Å; S370-D373 PolarHBondContact OG-OD2 3.43Å; S370-C374 PolarHBondContact O-N 2.83Å; S370-C374 PolarHBondContact O-SG 2.83Å | ||
| 371 | E | 91.6 | Very high | 94.2 | Very high | 163 Ų | 163 | 43.5 Ų | 43.5 | 76% | 0.762 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -59.8 | -32.6 | 171.3 | -66 | -167.8 | 170.2 | 0 | 0 | 111.8 | C374 A375 | E371-C374 PolarHBondContact O-N 3.43Å; E371-A375 PolarHBondContact O-N 2.68Å |
| 372 | E | 91.3 | Very high | 94.3 | Very high | 94 Ų | 94 | 44.4 Ų | 44.4 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -70.6 | -39.3 | 177.2 | -60.1 | -173.4 | 163.2 | 0 | 0 | 111.9 | K18 S370 C374 A375 A376 | K18-E372 HydrophobicContact CD-CB 4.36Å; K18-E372 VanDerWaalsContact CE-OE2 3.29Å; K18-E372 WeakPolarHBondContact CE-OE2 3.36Å; K18-E372 IonicContact NZ-OE2 2.7Å; K18-E372 PolarHBondContact NZ-OE2 3.18Å; S370-E372 PolarHBondContact O-N 3.47Å; S370-E372 PolarHBondContact OG-N 3.45Å; E372-C374 VanDerWaalsContact C-N 3.33Å; E372-A375 PolarHBondContact O-N 3.28Å; E372-A376 VanDerWaalsContact O-CB 3.31Å; E372-A376 WeakPolarHBondContact O-CB 3.48Å; E372-A376 PolarHBondContact O-N 3.28Å |
| 373 | D | 94.4 | Very high | 94.4 | Very high | 11 Ų | 11 | 44.7 Ų | 44.7 | 6% | 0.059 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 172.4 | -66.4 | -51.6 | 0 | 0 | 0 | 110.6 | L325 F326 P369 S370 A375 A376 V377 | L325-D373 WeakPolarHBondContact CA-OD1 3.49Å; F326-D373 HydrophobicContact CD1-CB 3.92Å; F326-D373 HydrophobicContact CE1-CB 3.86Å; F326-D373 PolarHBondContact N-OD1 3.43Å; P369-D373 HydrophobicContact CB-CB 4.17Å; S370-D373 WeakPolarHBondContact CB-OD2 3.45Å; S370-D373 PolarHBondContact N-OD2 3.14Å; S370-D373 PolarHBondContact O-N 3.41Å; S370-D373 PolarHBondContact OG-N 2.99Å; S370-D373 PolarHBondContact OG-OD2 3.43Å; D373-A375 VanDerWaalsContact C-N 3.33Å; D373-A375 PolarHBondContact O-N 3.13Å; D373-A376 PolarHBondContact O-N 2.87Å; D373-V377 WeakPolarHBondContact O-CB 3.42Å; D373-V377 VanDerWaalsContact O-CG2 3.29Å; D373-V377 WeakPolarHBondContact O-CG2 3.31Å; D373-V377 PolarHBondContact O-N 3.43Å |
| 374 | C | 95.1 | Very high | 94.6 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.034 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.1 | -43.9 | 178.3 | -64.7 | 0 | 0 | 0 | 0 | 111.7 | L355 A358 S370 E371 E372 Q378 | L355-C374 HydrophobicContact CD2-CB 4.37Å; A358-C374 HydrophobicContact CB-CB 4.06Å; S370-C374 PolarHBondContact O-N 2.83Å; S370-C374 PolarHBondContact O-SG 2.83Å; E371-C374 PolarHBondContact O-N 3.43Å; E372-C374 VanDerWaalsContact C-N 3.33Å; C374-Q378 WeakPolarHBondContact O-CB 3.44Å; C374-Q378 PolarHBondContact O-N 2.95Å |
| 375 | A | 93.9 | Very high | 94.9 | Very high | 36 Ų | 36 | 35.9 Ų | 35.9 | 30% | 0.298 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.6 | -41 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L355 E371 E372 D373 Q378 H379 | L355-A375 HydrophobicContact CD2-CB 4.14Å; E371-A375 PolarHBondContact O-N 2.68Å; E372-A375 PolarHBondContact O-N 3.28Å; D373-A375 VanDerWaalsContact C-N 3.33Å; D373-A375 PolarHBondContact O-N 3.13Å; A375-Q378 PolarHBondContact O-N 2.84Å; A375-H379 PolarHBondContact O-N 3.48Å |
| 376 | A | 95.3 | Very high | 95.2 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 7% | 0.074 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.8 | -47.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I22 L325 E372 D373 Q378 H379 V380 | I22-A376 VanDerWaalsContact CD1-CA 3.45Å; I22-A376 HydrophobicContact CD1-CB 3.48Å; I22-A376 VanDerWaalsContact CD1-CB 3.48Å; L325-A376 HydrophobicContact CD2-CB 3.57Å; E372-A376 VanDerWaalsContact O-CB 3.31Å; E372-A376 WeakPolarHBondContact O-CB 3.48Å; E372-A376 PolarHBondContact O-N 3.28Å; D373-A376 PolarHBondContact O-N 2.87Å; A376-Q378 VanDerWaalsContact C-N 3.35Å; A376-Q378 PolarHBondContact O-N 3.15Å; A376-H379 PolarHBondContact O-N 3.19Å; A376-H379 VanDerWaalsContact O-N 3.14Å; A376-V380 WeakPolarHBondContact O-CG2 3.36Å; A376-V380 PolarHBondContact O-N 3.36Å |
| 377 | V | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.5 | -41.2 | 176.9 | 174 | 0 | 0 | 0 | 0 | 111.4 | L316 L325 F326 M348 L362 D373 H379 V380 C381 | L316-V377 HydrophobicContact CD1-CG1 3.95Å; L316-V377 HydrophobicContact CD1-CG2 4.18Å; L316-V377 HydrophobicContact CD2-CB 4.27Å; L316-V377 HydrophobicContact CD2-CG1 4.15Å; L316-V377 HydrophobicContact CD2-CG2 3.61Å; L325-V377 HydrophobicContact CD1-CG2 4.24Å; F326-V377 HydrophobicContact CE1-CG2 4.29Å; F326-V377 HydrophobicContact CZ-CG2 3.97Å; M348-V377 HydrophobicContact CE-CG1 4.21Å; M348-V377 HydrophobicContact SD-CG1 3.72Å; L362-V377 HydrophobicContact CD1-CB 4.11Å; L362-V377 HydrophobicContact CD1-CG1 4.29Å; L362-V377 HydrophobicContact CD1-CG2 3.82Å; L362-V377 HydrophobicContact CD2-CG1 4.4Å; L362-V377 HydrophobicContact CD2-CG2 4.3Å; D373-V377 WeakPolarHBondContact O-CB 3.42Å; D373-V377 VanDerWaalsContact O-CG2 3.29Å; D373-V377 WeakPolarHBondContact O-CG2 3.31Å; D373-V377 PolarHBondContact O-N 3.43Å; V377-H379 VanDerWaalsContact C-N 3.29Å; V377-H379 PolarHBondContact O-N 3.3Å; V377-V380 PolarHBondContact O-N 3.37Å; V377-C381 PolarHBondContact O-N 2.87Å; V377-C381 PolarHBondContact O-SG 2.92Å |
| 378 | Q | 96.6 | Very high | 96 | Very high | 51 Ų | 51 | 34.8 Ų | 34.8 | 24% | 0.238 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.2 | -40.1 | 174.2 | -179.6 | 179.8 | 67.4 | 0 | 0 | 111.6 | M348 L355 C374 A375 A376 C381 S382 | M348-Q378 WeakPolarHBondContact O-CG 3.46Å; M348-Q378 PolarHBondContact O-NE2 3.27Å; L355-Q378 HydrophobicContact CD2-CB 4.29Å; C374-Q378 WeakPolarHBondContact O-CB 3.44Å; C374-Q378 PolarHBondContact O-N 2.95Å; A375-Q378 PolarHBondContact O-N 2.84Å; A376-Q378 VanDerWaalsContact C-N 3.35Å; A376-Q378 PolarHBondContact O-N 3.15Å; Q378-C381 WeakPolarHBondContact O-CB 3.34Å; Q378-C381 PolarHBondContact O-N 2.87Å; Q378-S382 PolarHBondContact O-N 2.67Å |
| 379 | H | 96.6 | Very high | 96.3 | Very high | 45 Ų | 45 | 27.6 Ų | 27.6 | 21% | 0.208 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.4 | -40.3 | 177.7 | -165.8 | 59.4 | 0 | 0 | 0 | 112.4 | I22 D23 A375 A376 V377 C381 S382 I383 | I22-H379 HydrophobicContact CD1-CB 4.33Å; D23-H379 IonicContact OD1-CD2 3.89Å; D23-H379 IonicContact OD1-CE1 3.88Å; D23-H379 IonicContact OD1-NE2 3.29Å; D23-H379 PolarHBondContact OD1-NE2 2.88Å; D23-H379 IonicContact OD2-NE2 2.71Å; A375-H379 PolarHBondContact O-N 3.48Å; A376-H379 PolarHBondContact O-N 3.19Å; A376-H379 VanDerWaalsContact O-N 3.14Å; V377-H379 VanDerWaalsContact C-N 3.29Å; V377-H379 PolarHBondContact O-N 3.3Å; H379-C381 VanDerWaalsContact C-N 3.34Å; H379-C381 PolarHBondContact O-N 3.37Å; H379-S382 WeakPolarHBondContact O-CB 3.48Å; H379-S382 PolarHBondContact O-N 2.9Å; H379-I383 WeakPolarHBondContact O-CG1 3.38Å; H379-I383 PolarHBondContact O-N 3.03Å |
| 380 | V | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.2 | -47.4 | 170.8 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | I22 L26 V312 I315 L316 M319 A376 V377 S382 I383 V384 | I22-V380 HydrophobicContact CG2-CG2 3.95Å; L26-V380 HydrophobicContact CD1-CB 4.38Å; L26-V380 HydrophobicContact CD1-CG1 4.14Å; L26-V380 HydrophobicContact CD1-CG2 4Å; V312-V380 HydrophobicContact CG1-CG1 4.29Å; I315-V380 HydrophobicContact CB-CG1 4.15Å; I315-V380 HydrophobicContact CD1-CG1 4.12Å; I315-V380 HydrophobicContact CG2-CG1 3.67Å; I315-V380 HydrophobicContact CG2-CG2 4.33Å; L316-V380 HydrophobicContact CD2-CG1 4.44Å; M319-V380 HydrophobicContact CE-CG2 4.36Å; M319-V380 HydrophobicContact SD-CG2 3.81Å; A376-V380 WeakPolarHBondContact O-CG2 3.36Å; A376-V380 PolarHBondContact O-N 3.36Å; V377-V380 PolarHBondContact O-N 3.37Å; V380-S382 VanDerWaalsContact C-N 3.32Å; V380-S382 PolarHBondContact O-N 2.73Å; V380-I383 PolarHBondContact O-N 3.26Å; V380-V384 HydrophobicContact CG1-CG2 4.47Å; V380-V384 WeakPolarHBondContact O-CG2 3.33Å; V380-V384 PolarHBondContact O-N 2.96Å |
| 381 | C | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.1 | -48.9 | 175.5 | -69.2 | 0 | 0 | 0 | 0 | 111.3 | V345 M348 E349 V377 Q378 H379 I383 V384 S385 | V345-C381 HydrophobicContact CG1-CB 3.8Å; M348-C381 WeakPolarHBondContact CE-SG 3.31Å; E349-C381 HydrophobicContact CG-CB 3.96Å; E349-C381 VanDerWaalsContact OE1-O 3.07Å; V377-C381 PolarHBondContact O-N 2.87Å; V377-C381 PolarHBondContact O-SG 2.92Å; Q378-C381 WeakPolarHBondContact O-CB 3.34Å; Q378-C381 PolarHBondContact O-N 2.87Å; H379-C381 VanDerWaalsContact C-N 3.34Å; H379-C381 PolarHBondContact O-N 3.37Å; C381-I383 VanDerWaalsContact C-N 3.35Å; C381-I383 PolarHBondContact O-N 3.01Å; C381-V384 PolarHBondContact O-N 3.25Å; C381-S385 WeakPolarHBondContact O-CB 3.46Å; C381-S385 PolarHBondContact O-N 3.15Å; C381-S385 PolarHBondContact O-OG 3.33Å |
| 382 | S | 97.7 | Very high | 97.1 | Very high | 30 Ų | 30 | 17.4 Ų | 17.4 | 21% | 0.21 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.7 | -41.3 | 178.4 | 177.3 | 0 | 0 | 0 | 0 | 112.5 | E349 Q378 H379 V380 S385 H386 R432 | E349-S382 WeakPolarHBondContact OE1-CA 3.12Å; E349-S382 PolarHBondContact OE1-N 3.3Å; E349-S382 WeakPolarHBondContact OE2-CA 3.36Å; Q378-S382 PolarHBondContact O-N 2.67Å; H379-S382 WeakPolarHBondContact O-CB 3.48Å; H379-S382 PolarHBondContact O-N 2.9Å; V380-S382 VanDerWaalsContact C-N 3.32Å; V380-S382 PolarHBondContact O-N 2.73Å; S382-S385 PolarHBondContact O-OG 2.79Å; S382-H386 WeakPolarHBondContact O-CB 3.14Å; S382-H386 PolarHBondContact O-N 3.31Å; S382-R432 PolarHBondContact OG-NH2 2.99Å |
| 383 | I | 98.4 | Very high | 97.5 | Very high | 7 Ų | 7 | 12.9 Ų | 12.9 | 4% | 0.036 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.3 | -49.1 | 177.3 | -69.2 | 166.3 | 0 | 0 | 0 | 110.6 | I22 L26 M29 R30 H379 V380 C381 H386 R387 | I22-I383 HydrophobicContact CG2-CD1 3.9Å; L26-I383 HydrophobicContact CB-CD1 4.18Å; L26-I383 HydrophobicContact CB-CG2 4.2Å; L26-I383 HydrophobicContact CD1-CB 4.47Å; L26-I383 HydrophobicContact CD1-CD1 3.98Å; L26-I383 HydrophobicContact CD1-CG2 4.32Å; M29-I383 HydrophobicContact CB-CG2 3.75Å; R30-I383 HydrophobicContact CG-CG2 4.14Å; H379-I383 WeakPolarHBondContact O-CG1 3.38Å; H379-I383 PolarHBondContact O-N 3.03Å; V380-I383 PolarHBondContact O-N 3.26Å; C381-I383 VanDerWaalsContact C-N 3.35Å; C381-I383 PolarHBondContact O-N 3.01Å; I383-H386 PolarHBondContact O-N 3.3Å; I383-R387 WeakPolarHBondContact O-CB 3.44Å; I383-R387 PolarHBondContact O-N 2.88Å |
| 384 | V | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.006 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.3 | -46.9 | -177.6 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | M29 M308 L311 V312 I315 V380 C381 R387 S388 | M29-V384 HydrophobicContact SD-CG2 4.24Å; M308-V384 HydrophobicContact CG-CG1 4.04Å; L311-V384 HydrophobicContact CB-CG1 4.26Å; L311-V384 HydrophobicContact CD1-CG1 4.49Å; V312-V384 HydrophobicContact CG2-CB 4.02Å; V312-V384 HydrophobicContact CG2-CG1 4.15Å; V312-V384 HydrophobicContact CG2-CG2 3.97Å; I315-V384 HydrophobicContact CD1-CG2 3.54Å; V380-V384 HydrophobicContact CG1-CG2 4.47Å; V380-V384 WeakPolarHBondContact O-CG2 3.33Å; V380-V384 PolarHBondContact O-N 2.96Å; C381-V384 PolarHBondContact O-N 3.25Å; V384-R387 PolarHBondContact O-N 3.37Å; V384-S388 PolarHBondContact O-N 3.17Å; V384-S388 VanDerWaalsContact O-N 3.09Å |
| 385 | S | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -70.5 | -32.9 | -179.9 | 76 | 0 | 0 | 0 | 0 | 112.3 | E349 C381 S382 A389 R432 | E349-S385 WeakPolarHBondContact OE1-CB 3.36Å; E349-S385 PolarHBondContact OE1-OG 3.41Å; C381-S385 WeakPolarHBondContact O-CB 3.46Å; C381-S385 PolarHBondContact O-N 3.15Å; C381-S385 PolarHBondContact O-OG 3.33Å; S382-S385 PolarHBondContact O-OG 2.79Å; S385-A389 PolarHBondContact O-N 3.43Å; S385-R432 PolarHBondContact OG-NH1 3.37Å |
| 386 | H | 98.3 | Very high | 98.1 | Very high | 67 Ų | 67 | 10.4 Ų | 10.4 | 31% | 0.31 | 5% | 0.054 | S | C | . | . | H | α-helix | trans | -69.4 | -40.7 | 174.1 | -167.9 | 81.3 | 0 | 0 | 0 | 112 | S382 I383 S388 A389 N390 R432 | S382-H386 WeakPolarHBondContact O-CB 3.14Å; S382-H386 PolarHBondContact O-N 3.31Å; I383-H386 PolarHBondContact O-N 3.3Å; H386-S388 VanDerWaalsContact C-N 3.33Å; H386-S388 PolarHBondContact O-N 2.68Å; H386-A389 PolarHBondContact O-N 3.09Å; H386-N390 PolarHBondContact CD2-ND2 2.7Å; H386-N390 PolarHBondContact NE2-ND2 3.24Å; H386-N390 VanDerWaalsContact NE2-ND2 3.15Å; H386-N390 WeakPolarHBondContact O-CB 3.47Å; H386-N390 PolarHBondContact O-N 3.05Å; H386-R432 VanDerWaalsContact ND1-CD 3.27Å; H386-R432 WeakPolarHBondContact ND1-CD 3.41Å; H386-R432 WeakPolarHBondContact ND1-CG 3.44Å |
| 387 | R | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 10 Ų | 10 | 0% | 0.004 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -56.1 | -49.2 | 172.1 | -173.6 | -177.5 | 70.4 | 159.8 | 1.9 | 110.9 | M29 F31 D284 I383 V384 A389 N390 L391 | M29-R387 WeakPolarHBondContact O-CB 3.43Å; M29-R387 WeakPolarHBondContact O-CG 3.44Å; F31-R387 HydrophobicContact CD2-CG 3.96Å; F31-R387 HydrophobicContact CE2-CG 3.49Å; F31-R387 VanDerWaalsContact CE2-CG 3.49Å; F31-R387 HydrophobicContact CZ-CG 4.14Å; D284-R387 IonicContact OD1-CZ 2.65Å; D284-R387 IonicContact OD1-NH1 2.9Å; D284-R387 PolarHBondContact OD1-NH1 2.9Å; D284-R387 IonicContact OD1-NH2 3.34Å; D284-R387 PolarHBondContact OD1-NH2 2.62Å; D284-R387 IonicContact OD2-CZ 3.79Å; D284-R387 IonicContact OD2-NH1 2.79Å; D284-R387 PolarHBondContact OD2-NH1 3.33Å; D284-R387 IonicContact OD2-NH2 3.61Å; I383-R387 WeakPolarHBondContact O-CB 3.44Å; I383-R387 PolarHBondContact O-N 2.88Å; V384-R387 PolarHBondContact O-N 3.37Å; R387-A389 PolarHBondContact O-N 3.01Å; R387-N390 PolarHBondContact O-N 3.15Å; R387-L391 HydrophobicContact CG-CD1 4.26Å; R387-L391 HydrophobicContact CG-CG 4.5Å; R387-L391 WeakPolarHBondContact O-CG 3.33Å; R387-L391 PolarHBondContact O-N 2.93Å |
| 388 | S | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -55.7 | -49.8 | 176.5 | 168.1 | 0 | 0 | 0 | 0 | 111.8 | I303 V384 H386 N390 L391 V392 Y429 | I303-S388 WeakPolarHBondContact CA-OG 3.42Å; I303-S388 WeakPolarHBondContact CG2-OG 3.32Å; I303-S388 PolarHBondContact O-OG 2.89Å; V384-S388 PolarHBondContact O-N 3.17Å; V384-S388 VanDerWaalsContact O-N 3.09Å; H386-S388 VanDerWaalsContact C-N 3.33Å; H386-S388 PolarHBondContact O-N 2.68Å; S388-N390 VanDerWaalsContact C-N 3.31Å; S388-N390 PolarHBondContact O-N 2.94Å; S388-L391 PolarHBondContact O-N 3.04Å; S388-V392 PolarHBondContact O-N 3.19Å; S388-V392 VanDerWaalsContact O-N 3.14Å; S388-Y429 PolarHBondContact O-OH 2.85Å; S388-Y429 VanDerWaalsContact OG-CE2 3.26Å; S388-Y429 WeakPolarHBondContact OG-CE2 3.49Å; S388-Y429 PolarHBondContact OG-OH 2.76Å |
| 389 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -62 | -36 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S385 H386 R387 A393 Y429 R432 L433 | S385-A389 PolarHBondContact O-N 3.43Å; H386-A389 PolarHBondContact O-N 3.09Å; R387-A389 PolarHBondContact O-N 3.01Å; A389-A393 WeakPolarHBondContact O-CB 3.48Å; A389-A393 PolarHBondContact O-N 3.16Å; A389-Y429 HydrophobicContact CB-CD1 4.43Å; A389-Y429 HydrophobicContact CB-CD2 4.28Å; A389-Y429 HydrophobicContact CB-CE1 4.15Å; A389-Y429 HydrophobicContact CB-CE2 4Å; A389-Y429 HydrophobicContact CB-CG 4.49Å; A389-Y429 PolarHBondContact N-OH 3.23Å; A389-R432 HydrophobicContact CB-CB 4.01Å; A389-L433 HydrophobicContact CB-CB 4.28Å; A389-L433 WeakPolarHBondContact O-CD1 3.41Å |
| 390 | N | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 5.4 Ų | 5.4 | 3% | 0.027 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -71.8 | -38.6 | 178.1 | -75.4 | -13.3 | 0 | 0 | 0 | 112.6 | L36 H386 R387 S388 A393 A394 T436 | L36-N390 HydrophobicContact CD1-CB 3.86Å; L36-N390 HydrophobicContact CD2-CB 3.81Å; L36-N390 HydrophobicContact CG-CB 4.49Å; H386-N390 PolarHBondContact CD2-ND2 2.7Å; H386-N390 PolarHBondContact NE2-ND2 3.24Å; H386-N390 VanDerWaalsContact NE2-ND2 3.15Å; H386-N390 WeakPolarHBondContact O-CB 3.47Å; H386-N390 PolarHBondContact O-N 3.05Å; R387-N390 PolarHBondContact O-N 3.15Å; S388-N390 VanDerWaalsContact C-N 3.31Å; S388-N390 PolarHBondContact O-N 2.94Å; N390-A393 WeakPolarHBondContact O-CB 3.16Å; N390-A393 PolarHBondContact O-N 2.96Å; N390-A394 PolarHBondContact O-N 3.45Å; N390-T436 WeakPolarHBondContact OD1-CG2 3.27Å; N390-T436 PolarHBondContact OD1-OG1 3.12Å |
| 391 | L | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 7.6 Ų | 7.6 | 2% | 0.016 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -63.3 | -46.3 | 175.7 | -73.5 | 175.4 | 0 | 0 | 0 | 111.5 | F31 I39 F299 M302 I303 R387 S388 A393 A394 A395 | F31-L391 HydrophobicContact CD2-CD2 3.98Å; F31-L391 HydrophobicContact CD2-CG 4.3Å; F31-L391 HydrophobicContact CE2-CD1 4.19Å; F31-L391 HydrophobicContact CE2-CD2 3.54Å; F31-L391 HydrophobicContact CE2-CG 3.86Å; I39-L391 HydrophobicContact CD1-CD2 3.73Å; F299-L391 HydrophobicContact CE2-CB 3.97Å; F299-L391 HydrophobicContact CE2-CD2 4.09Å; F299-L391 HydrophobicContact CE2-CG 4.45Å; F299-L391 HydrophobicContact CZ-CB 4.09Å; M302-L391 HydrophobicContact CB-CD1 3.76Å; M302-L391 HydrophobicContact CE-CD1 4.4Å; M302-L391 HydrophobicContact SD-CD1 4.38Å; I303-L391 HydrophobicContact CD1-CB 3.82Å; I303-L391 HydrophobicContact CD1-CD1 4.47Å; I303-L391 HydrophobicContact CG1-CB 3.93Å; I303-L391 HydrophobicContact CG1-CD1 4.01Å; R387-L391 HydrophobicContact CG-CD1 4.26Å; R387-L391 HydrophobicContact CG-CG 4.5Å; R387-L391 WeakPolarHBondContact O-CG 3.33Å; R387-L391 PolarHBondContact O-N 2.93Å; S388-L391 PolarHBondContact O-N 3.04Å; L391-A393 VanDerWaalsContact C-N 3.27Å; L391-A393 PolarHBondContact O-N 3.36Å; L391-A394 PolarHBondContact O-N 3.33Å; L391-A395 PolarHBondContact O-N 3.3Å; L391-A395 VanDerWaalsContact O-N 3.07Å |
| 392 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60.5 | -40.1 | 173.6 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | I236 W267 I303 S388 A394 A395 L396 L433 | I236-V392 HydrophobicContact CD1-CG1 3.83Å; W267-V392 HydrophobicContact CH2-CG1 3.92Å; W267-V392 HydrophobicContact CZ2-CG1 4.12Å; I303-V392 HydrophobicContact CD1-CG2 4Å; I303-V392 HydrophobicContact CG1-CG2 4.39Å; I303-V392 HydrophobicContact CG2-CG2 3.39Å; S388-V392 PolarHBondContact O-N 3.19Å; S388-V392 VanDerWaalsContact O-N 3.14Å; V392-A394 VanDerWaalsContact C-N 3.33Å; V392-A394 PolarHBondContact O-N 3.38Å; V392-A395 PolarHBondContact O-N 3.26Å; V392-L396 VanDerWaalsContact O-CB 3.29Å; V392-L396 WeakPolarHBondContact O-CB 3.16Å; V392-L396 PolarHBondContact O-N 3.14Å; V392-L433 HydrophobicContact CB-CD1 4.01Å; V392-L433 HydrophobicContact CG1-CD1 3.82Å; V392-L433 HydrophobicContact CG1-CD2 4.27Å |
| 393 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -60.7 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A389 N390 L391 A397 L433 T436 V437 L440 | A389-A393 WeakPolarHBondContact O-CB 3.48Å; A389-A393 PolarHBondContact O-N 3.16Å; N390-A393 WeakPolarHBondContact O-CB 3.16Å; N390-A393 PolarHBondContact O-N 2.96Å; L391-A393 VanDerWaalsContact C-N 3.27Å; L391-A393 PolarHBondContact O-N 3.36Å; A393-A397 VanDerWaalsContact O-CB 3.26Å; A393-A397 WeakPolarHBondContact O-CB 3.3Å; A393-A397 PolarHBondContact O-N 3.4Å; A393-L433 HydrophobicContact CB-CD1 3.84Å; A393-T436 HydrophobicContact CB-CG2 3.5Å; A393-V437 HydrophobicContact CB-CG2 3.66Å; A393-L440 HydrophobicContact CB-CD1 4.3Å |
| 394 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -67.3 | -43.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L36 I39 T40 N390 L391 V392 A397 G398 L440 | L36-A394 HydrophobicContact CB-CB 4.35Å; L36-A394 HydrophobicContact CD2-CB 4.29Å; L36-A394 WeakPolarHBondContact O-CB 3.48Å; I39-A394 HydrophobicContact CB-CB 4.11Å; I39-A394 HydrophobicContact CG2-CB 3.84Å; T40-A394 WeakPolarHBondContact OG1-CA 3.41Å; T40-A394 PolarHBondContact OG1-O 3.27Å; N390-A394 PolarHBondContact O-N 3.45Å; L391-A394 PolarHBondContact O-N 3.33Å; V392-A394 VanDerWaalsContact C-N 3.33Å; V392-A394 PolarHBondContact O-N 3.38Å; A394-A397 PolarHBondContact O-N 2.96Å; A394-G398 PolarHBondContact O-N 3.1Å; A394-L440 HydrophobicContact CB-CD1 4.38Å |
| 395 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66 | -45.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F43 W267 F299 L391 V392 A397 G398 I399 | F43-A395 HydrophobicContact CD1-CB 4.31Å; F43-A395 WeakPolarHBondContact CD1-O 3.26Å; F43-A395 HydrophobicContact CD2-CB 4.08Å; F43-A395 HydrophobicContact CE1-CB 4.25Å; F43-A395 WeakPolarHBondContact CE1-O 3.45Å; F43-A395 HydrophobicContact CE2-CB 4.02Å; F43-A395 HydrophobicContact CG-CB 4.22Å; F43-A395 HydrophobicContact CZ-CB 4.12Å; W267-A395 HydrophobicContact CD2-CB 4.46Å; W267-A395 HydrophobicContact CE3-CB 3.69Å; W267-A395 HydrophobicContact CZ3-CB 3.75Å; F299-A395 HydrophobicContact CE1-CB 4.04Å; F299-A395 HydrophobicContact CZ-CB 3.87Å; L391-A395 PolarHBondContact O-N 3.3Å; L391-A395 VanDerWaalsContact O-N 3.07Å; V392-A395 PolarHBondContact O-N 3.26Å; A395-A397 VanDerWaalsContact C-N 3.33Å; A395-A397 PolarHBondContact O-N 3.36Å; A395-G398 WeakPolarHBondContact O-CA 3.21Å; A395-G398 PolarHBondContact O-N 3Å; A395-I399 PolarHBondContact O-N 2.77Å |
| 396 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62 | -39.5 | 175.6 | 178.7 | 56 | 0 | 0 | 0 | 112 | V232 I234 V392 G398 I399 L400 V416 V437 F448 | V232-L396 HydrophobicContact CG1-CD1 4.07Å; I234-L396 HydrophobicContact CD1-CB 4.47Å; I234-L396 HydrophobicContact CD1-CD1 3.7Å; I234-L396 HydrophobicContact CD1-CD2 3.69Å; I234-L396 HydrophobicContact CD1-CG 4.15Å; V392-L396 VanDerWaalsContact O-CB 3.29Å; V392-L396 WeakPolarHBondContact O-CB 3.16Å; V392-L396 PolarHBondContact O-N 3.14Å; L396-G398 PolarHBondContact O-N 3.48Å; L396-I399 HydrophobicContact CD1-CB 4.49Å; L396-I399 PolarHBondContact O-N 2.9Å; L396-I399 VanDerWaalsContact O-N 3.15Å; L396-L400 HydrophobicContact CD1-CD1 4.24Å; L396-L400 HydrophobicContact CD1-CD2 4.45Å; L396-L400 HydrophobicContact CD1-CG 4Å; L396-L400 HydrophobicContact CG-CD1 3.91Å; L396-L400 HydrophobicContact CG-CG 4.18Å; L396-L400 VanDerWaalsContact O-CG 3.29Å; L396-L400 WeakPolarHBondContact O-CG 3.49Å; L396-L400 PolarHBondContact O-N 2.81Å; L396-V416 HydrophobicContact CD1-CG2 4.34Å; L396-V416 HydrophobicContact CD2-CG1 4.43Å; L396-V416 HydrophobicContact CD2-CG2 4.47Å; L396-V437 HydrophobicContact CD2-CG1 4.36Å; L396-V437 HydrophobicContact CD2-CG2 3.95Å; L396-F448 HydrophobicContact CD2-CE1 3.8Å; L396-F448 HydrophobicContact CD2-CZ 4.27Å |
| 397 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -56.8 | -37.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T40 A393 A394 A395 L400 Q401 L440 V441 | T40-A397 HydrophobicContact CG2-CB 4.03Å; A393-A397 VanDerWaalsContact O-CB 3.26Å; A393-A397 WeakPolarHBondContact O-CB 3.3Å; A393-A397 PolarHBondContact O-N 3.4Å; A394-A397 PolarHBondContact O-N 2.96Å; A395-A397 VanDerWaalsContact C-N 3.33Å; A395-A397 PolarHBondContact O-N 3.36Å; A397-L400 PolarHBondContact O-N 3.4Å; A397-Q401 WeakPolarHBondContact O-CB 3.04Å; A397-Q401 VanDerWaalsContact O-CG 3.29Å; A397-Q401 WeakPolarHBondContact O-CG 3.35Å; A397-Q401 PolarHBondContact O-N 2.96Å; A397-L440 HydrophobicContact CB-CB 4.1Å; A397-L440 HydrophobicContact CB-CD1 4.4Å; A397-V441 HydrophobicContact CB-CG1 3.76Å |
| 398 | G | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.9 | -45.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A394 A395 L396 Q401 R402 | A394-G398 PolarHBondContact O-N 3.1Å; A395-G398 WeakPolarHBondContact O-CA 3.21Å; A395-G398 PolarHBondContact O-N 3Å; L396-G398 PolarHBondContact O-N 3.48Å; G398-Q401 PolarHBondContact O-N 3.24Å; G398-R402 PolarHBondContact O-N 3.26Å |
| 399 | I | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 175.3 | -61.6 | 177.8 | 0 | 0 | 0 | 111 | F43 L47 V232 A242 Y244 T265 W267 A395 L396 Q401 R402 L403 | F43-I399 HydrophobicContact CE1-CD1 4.41Å; F43-I399 HydrophobicContact CE1-CG1 3.9Å; L47-I399 HydrophobicContact CD1-CG1 4.4Å; V232-I399 HydrophobicContact CG1-CG2 4.49Å; V232-I399 HydrophobicContact CG2-CG2 4.02Å; A242-I399 HydrophobicContact CB-CD1 3.84Å; Y244-I399 HydrophobicContact CD1-CD1 4.45Å; Y244-I399 HydrophobicContact CD1-CG1 4.46Å; Y244-I399 HydrophobicContact CD1-CG2 3.87Å; Y244-I399 HydrophobicContact CD2-CG2 4.2Å; Y244-I399 HydrophobicContact CG-CG2 3.65Å; T265-I399 HydrophobicContact CG2-CD1 4.27Å; W267-I399 HydrophobicContact CE3-CD1 4.15Å; W267-I399 HydrophobicContact CZ3-CD1 3.97Å; A395-I399 PolarHBondContact O-N 2.77Å; L396-I399 HydrophobicContact CD1-CB 4.49Å; L396-I399 PolarHBondContact O-N 2.9Å; L396-I399 VanDerWaalsContact O-N 3.15Å; I399-Q401 PolarHBondContact O-N 3.35Å; I399-R402 WeakPolarHBondContact O-CB 3.47Å; I399-R402 PolarHBondContact O-N 3.24Å; I399-L403 HydrophobicContact CG2-CD1 4.28Å; I399-L403 PolarHBondContact O-N 2.98Å |
| 400 | L | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66 | -39.3 | -179.5 | -67.5 | 171.8 | 0 | 0 | 0 | 112 | L396 A397 R402 L403 K404 L412 T414 V416 V437 V441 V446 | L396-L400 HydrophobicContact CD1-CD1 4.24Å; L396-L400 HydrophobicContact CD1-CD2 4.45Å; L396-L400 HydrophobicContact CD1-CG 4Å; L396-L400 HydrophobicContact CG-CD1 3.91Å; L396-L400 HydrophobicContact CG-CG 4.18Å; L396-L400 VanDerWaalsContact O-CG 3.29Å; L396-L400 WeakPolarHBondContact O-CG 3.49Å; L396-L400 PolarHBondContact O-N 2.81Å; A397-L400 PolarHBondContact O-N 3.4Å; L400-R402 VanDerWaalsContact C-N 3.34Å; L400-L403 PolarHBondContact O-N 2.97Å; L400-K404 WeakPolarHBondContact O-CB 3.48Å; L400-K404 PolarHBondContact O-N 3.36Å; L400-L412 HydrophobicContact CB-CD2 4.28Å; L400-L412 HydrophobicContact CD2-CD2 4.05Å; L400-L412 VanDerWaalsContact O-CD2 3.27Å; L400-L412 WeakPolarHBondContact O-CD2 3.32Å; L400-T414 HydrophobicContact CD2-CG2 3.53Å; L400-V416 HydrophobicContact CD2-CG2 4.47Å; L400-V437 HydrophobicContact CD1-CG1 3.83Å; L400-V441 HydrophobicContact CD1-CG2 3.88Å; L400-V446 HydrophobicContact CD1-CG2 3.63Å; L400-V446 HydrophobicContact CD2-CG2 4.2Å |
| 401 | Q | 97.6 | Very high | 95.4 | Very high | 46 Ų | 46 | 34.6 Ų | 34.6 | 22% | 0.215 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.7 | -42 | 172.7 | -73.7 | 177.1 | 18.5 | 0 | 0 | 111.3 | R44 A397 G398 I399 K404 E405 V441 | R44-Q401 VanDerWaalsContact CD-OE1 3.26Å; A397-Q401 WeakPolarHBondContact O-CB 3.04Å; A397-Q401 VanDerWaalsContact O-CG 3.29Å; A397-Q401 WeakPolarHBondContact O-CG 3.35Å; A397-Q401 PolarHBondContact O-N 2.96Å; G398-Q401 PolarHBondContact O-N 3.24Å; I399-Q401 PolarHBondContact O-N 3.35Å; Q401-K404 WeakPolarHBondContact O-CB 3.36Å; Q401-K404 PolarHBondContact O-N 3.2Å; Q401-E405 VanDerWaalsContact O-CG 3.31Å; Q401-E405 WeakPolarHBondContact O-CG 3.22Å; Q401-E405 PolarHBondContact O-N 2.92Å; Q401-V441 HydrophobicContact CG-CG1 3.93Å |
| 402 | R | 97.1 | Very high | 95.3 | Very high | 37 Ų | 37 | 34.6 Ų | 34.6 | 14% | 0.14 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.8 | -47.5 | 174.8 | 178.1 | 59.1 | 171.5 | -173.6 | 0.3 | 112.2 | L47 Y244 E246 H250 G398 I399 L400 K404 E405 N406 | L47-R402 HydrophobicContact CD1-CB 4.5Å; Y244-R402 HydrophobicContact CE2-CG 4.19Å; E246-R402 IonicContact OE1-NE 3.48Å; E246-R402 IonicContact OE1-NH2 2.72Å; E246-R402 IonicContact OE2-CZ 3.97Å; E246-R402 IonicContact OE2-NE 3.07Å; E246-R402 PolarHBondContact OE2-NE 2.96Å; E246-R402 IonicContact OE2-NH2 2.99Å; E246-R402 PolarHBondContact OE2-NH2 3.2Å; H250-R402 PolarHBondContact ND1-NH2 3.07Å; G398-R402 PolarHBondContact O-N 3.26Å; I399-R402 WeakPolarHBondContact O-CB 3.47Å; I399-R402 PolarHBondContact O-N 3.24Å; L400-R402 VanDerWaalsContact C-N 3.34Å; R402-K404 VanDerWaalsContact C-N 3.33Å; R402-K404 PolarHBondContact O-N 3.46Å; R402-E405 PolarHBondContact O-N 2.88Å; R402-N406 VanDerWaalsContact O-CG 3.27Å; R402-N406 PolarHBondContact O-N 3.41Å; R402-N406 PolarHBondContact O-OD1 2.99Å |
| 403 | L | 97.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -40 | 175.9 | -76.6 | 174.3 | 0 | 0 | 0 | 112.6 | E231 V232 Y244 M245 I399 L400 K407 L412 | E231-L403 HydrophobicContact CB-CD1 4.2Å; V232-L403 HydrophobicContact CG2-CD1 3.61Å; Y244-L403 HydrophobicContact CD2-CD2 3.9Å; Y244-L403 HydrophobicContact CD2-CG 4.19Å; M245-L403 VanDerWaalsContact O-CD2 3.24Å; M245-L403 WeakPolarHBondContact O-CD2 3.25Å; I399-L403 HydrophobicContact CG2-CD1 4.28Å; I399-L403 PolarHBondContact O-N 2.98Å; L400-L403 PolarHBondContact O-N 2.97Å; L403-K407 WeakPolarHBondContact O-CG 3.46Å; L403-K407 PolarHBondContact O-N 3.35Å; L403-L412 HydrophobicContact CB-CD1 4.39Å; L403-L412 HydrophobicContact CB-CD2 3.85Å |
| 404 | K | 96.4 | Very high | 95.1 | Very high | 46 Ų | 46 | 40.5 Ų | 40.5 | 20% | 0.2 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 175.4 | 177.9 | 177.3 | 151.6 | 168.7 | 0 | 111 | L400 Q401 R402 K407 G408 G409 V410 L412 D443 | L400-K404 WeakPolarHBondContact O-CB 3.48Å; L400-K404 PolarHBondContact O-N 3.36Å; Q401-K404 WeakPolarHBondContact O-CB 3.36Å; Q401-K404 PolarHBondContact O-N 3.2Å; R402-K404 VanDerWaalsContact C-N 3.33Å; R402-K404 PolarHBondContact O-N 3.46Å; K404-K407 PolarHBondContact O-N 3.17Å; K404-G408 PolarHBondContact O-N 3.49Å; K404-G409 WeakPolarHBondContact CE-O 3.5Å; K404-G409 WeakPolarHBondContact CG-O 3.28Å; K404-V410 WeakPolarHBondContact CE-O 3.49Å; K404-V410 PolarHBondContact NZ-O 2.94Å; K404-L412 HydrophobicContact CB-CB 4Å; K404-L412 HydrophobicContact CB-CD2 4.36Å; K404-L412 HydrophobicContact CG-CB 4.37Å; K404-D443 IonicContact NZ-OD2 3.42Å; K404-D443 PolarHBondContact NZ-OD2 2.86Å |
| 405 | E | 95.1 | Very high | 95.1 | Very high | 93 Ų | 93 | 40.6 Ų | 40.6 | 44% | 0.435 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.4 | -45.7 | 178.5 | -73.8 | 167 | -179.5 | 0 | 0 | 111.9 | R44 Q401 R402 K407 G408 | R44-E405 IonicContact CZ-OE1 3.5Å; R44-E405 VanDerWaalsContact CZ-OE1 3.23Å; R44-E405 IonicContact CZ-OE2 3.86Å; R44-E405 IonicContact NH1-OE1 3.49Å; R44-E405 PolarHBondContact NH1-OE1 3.23Å; R44-E405 IonicContact NH2-OE1 3.73Å; R44-E405 PolarHBondContact NH2-OE1 3.06Å; R44-E405 IonicContact NH2-OE2 3.79Å; R44-E405 PolarHBondContact NH2-OE2 3.44Å; Q401-E405 VanDerWaalsContact O-CG 3.31Å; Q401-E405 WeakPolarHBondContact O-CG 3.22Å; Q401-E405 PolarHBondContact O-N 2.92Å; R402-E405 PolarHBondContact O-N 2.88Å; E405-K407 PolarHBondContact O-N 2.87Å; E405-G408 PolarHBondContact O-N 3.32Å |
| 406 | N | 94.3 | Very high | 95.1 | Very high | 17 Ų | 17 | 40.6 Ų | 40.6 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.2 | -38.3 | 177.6 | -72 | -8.5 | 0 | 0 | 0 | 112.7 | E246 E247 H250 R402 G408 | E246-N406 PolarHBondContact OE1-ND2 3.09Å; E247-N406 HydrophobicContact CG-CB 4.02Å; H250-N406 PolarHBondContact CE1-OD1 3.15Å; H250-N406 PolarHBondContact ND1-OD1 3.22Å; R402-N406 VanDerWaalsContact O-CG 3.27Å; R402-N406 PolarHBondContact O-N 3.41Å; R402-N406 PolarHBondContact O-OD1 2.99Å; N406-G408 VanDerWaalsContact C-N 3.33Å |
| 407 | K | 92.8 | Very high | 95 | Very high | 100 Ų | 100 | 40.6 Ų | 40.6 | 44% | 0.435 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -7.4 | 179.2 | -68 | -177.2 | -179.8 | -177.1 | 0 | 114.1 | E231 L403 K404 E405 G409 L412 | E231-K407 WeakPolarHBondContact OE1-CE 3.36Å; E231-K407 IonicContact OE1-NZ 3.53Å; E231-K407 PolarHBondContact OE1-NZ 3Å; E231-K407 IonicContact OE2-NZ 2.65Å; E231-K407 PolarHBondContact OE2-NZ 3.23Å; L403-K407 WeakPolarHBondContact O-CG 3.46Å; L403-K407 PolarHBondContact O-N 3.35Å; K404-K407 PolarHBondContact O-N 3.17Å; E405-K407 PolarHBondContact O-N 2.87Å; K407-G409 PolarHBondContact O-N 3.39Å; K407-G409 VanDerWaalsContact O-N 3.13Å; K407-L412 HydrophobicContact CD-CD1 3.86Å |
| 408 | G | 86.9 | Confident | 95 | Very high | 73 Ų | 73 | 40.6 Ų | 40.6 | 75% | 0.753 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 19.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | K404 E405 N406 | K404-G408 PolarHBondContact O-N 3.49Å; E405-G408 PolarHBondContact O-N 3.32Å; N406-G408 VanDerWaalsContact C-N 3.33Å |
| 409 | G | 80.8 | Confident | 94.9 | Very high | 31 Ų | 31 | 41.5 Ų | 41.5 | 32% | 0.32 | 22% | 0.219 | S | C | . | . | trans | -99.2 | 151.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114 | K404 K407 | K404-G409 WeakPolarHBondContact CE-O 3.5Å; K404-G409 WeakPolarHBondContact CG-O 3.28Å; K407-G409 PolarHBondContact O-N 3.39Å; K407-G409 VanDerWaalsContact O-N 3.13Å | ||
| 410 | V | 84.7 | Confident | 94.7 | Very high | 124 Ų | 124 | 41.9 Ų | 41.9 | 75% | 0.752 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -69.9 | -35.5 | 175 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | K404 | K404-V410 WeakPolarHBondContact CE-O 3.49Å; K404-V410 PolarHBondContact NZ-O 2.94Å |
| 411 | R | 93.5 | Very high | 94.5 | Very high | 152 Ų | 152 | 44.3 Ų | 44.3 | 57% | 0.574 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -123.5 | 149.6 | 175.3 | -68.6 | 178.3 | 72.5 | 135.7 | 2.1 | 110.4 | D443 D445 | R411-D443 VanDerWaalsContact CA-O 3.26Å; R411-D443 WeakPolarHBondContact CA-O 3.24Å; R411-D443 WeakPolarHBondContact CB-O 3.26Å; R411-D445 IonicContact CZ-OD1 3.29Å; R411-D445 IonicContact CZ-OD2 3.18Å; R411-D445 IonicContact NE-OD2 3.85Å; R411-D445 PolarHBondContact NE-OD2 3.31Å; R411-D445 VanDerWaalsContact NH2-CG 3.25Å; R411-D445 IonicContact NH2-OD1 2.88Å; R411-D445 PolarHBondContact NH2-OD1 2.95Å; R411-D445 IonicContact NH2-OD2 3.83Å; R411-D445 PolarHBondContact NH2-OD2 3.01Å |
| 412 | L | 96 | Very high | 94.4 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 133.3 | 173 | 176.2 | 66.8 | 0 | 0 | 0 | 109.6 | L400 L403 K404 K407 T414 D443 C444 D445 | L400-L412 HydrophobicContact CB-CD2 4.28Å; L400-L412 HydrophobicContact CD2-CD2 4.05Å; L400-L412 VanDerWaalsContact O-CD2 3.27Å; L400-L412 WeakPolarHBondContact O-CD2 3.32Å; L403-L412 HydrophobicContact CB-CD1 4.39Å; L403-L412 HydrophobicContact CB-CD2 3.85Å; K404-L412 HydrophobicContact CB-CB 4Å; K404-L412 HydrophobicContact CB-CD2 4.36Å; K404-L412 HydrophobicContact CG-CB 4.37Å; K407-L412 HydrophobicContact CD-CD1 3.86Å; L412-T414 HydrophobicContact CD2-CG2 3.91Å; L412-T414 HydrophobicContact CG-CG2 4.09Å; L412-D443 PolarHBondContact N-O 3.33Å; L412-C444 HydrophobicContact CB-CB 4.41Å; L412-C444 CarbonylContact O-C 3.6Å; L412-C444 WeakPolarHBondContact O-CA 3.14Å; L412-D445 PolarHBondContact O-N 3.04Å |
| 413 | K | 96.5 | Very high | 94.4 | Very high | 122 Ų | 122 | 41.5 Ų | 41.5 | 53% | 0.53 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 121.1 | 166.5 | -169.3 | 176.8 | -165.9 | 175.3 | 0 | 108.5 | D445 | K413-D445 HydrophobicContact CG-CB 4.33Å |
| 414 | T | 97.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 160.9 | -174.5 | -165.3 | 0 | 0 | 0 | 0 | 111.2 | R229 E231 L400 L412 D445 R447 | R229-T414 PolarHBondContact O-OG1 3.13Å; E231-T414 PolarHBondContact OE2-OG1 3.28Å; L400-T414 HydrophobicContact CD2-CG2 3.53Å; L412-T414 HydrophobicContact CD2-CG2 3.91Å; L412-T414 HydrophobicContact CG-CG2 4.09Å; T414-D445 PolarHBondContact N-O 3.27Å; T414-R447 PolarHBondContact O-N 3.48Å |
| 415 | T | 98.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 137.2 | 173.7 | -64.3 | 0 | 0 | 0 | 0 | 109.5 | D227 R229 C230 E231 R447 L449 | D227-T415 HydrophobicContact CB-CG2 4.32Å; D227-T415 PolarHBondContact OD2-OG1 3.19Å; R229-T415 PolarHBondContact O-N 3.42Å; C230-T415 WeakPolarHBondContact CA-O 3.4Å; C230-T415 HydrophobicContact CB-CG2 4.4Å; E231-T415 PolarHBondContact N-O 2.98Å; E231-T415 VanDerWaalsContact N-O 3.13Å; T415-R447 CarbonylContact C-O 3.57Å; T415-R447 WeakPolarHBondContact CA-O 3.43Å; T415-R447 HydrophobicContact CG2-CB 4.4Å; T415-R447 HydrophobicContact CG2-CG 4.42Å; T415-L449 HydrophobicContact CG2-CB 3.79Å; T415-L449 HydrophobicContact CG2-CD2 4.38Å |
| 416 | V | 98.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 112.1 | 175.5 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | V232 I234 L396 L400 I418 V446 R447 F448 L449 | V232-V416 HydrophobicContact CB-CB 4.44Å; V232-V416 HydrophobicContact CB-CG1 4.19Å; V232-V416 HydrophobicContact CB-CG2 4.1Å; V232-V416 HydrophobicContact CG1-CG1 4.12Å; V232-V416 HydrophobicContact CG2-CG2 4.38Å; I234-V416 HydrophobicContact CD1-CG1 3.38Å; I234-V416 HydrophobicContact CG1-CG1 3.74Å; L396-V416 HydrophobicContact CD1-CG2 4.34Å; L396-V416 HydrophobicContact CD2-CG1 4.43Å; L396-V416 HydrophobicContact CD2-CG2 4.47Å; L400-V416 HydrophobicContact CD2-CG2 4.47Å; V416-I418 HydrophobicContact CG1-CD1 4.14Å; V416-I418 HydrophobicContact CG1-CG1 3.81Å; V416-V446 HydrophobicContact CB-CG1 4.43Å; V416-V446 HydrophobicContact CG2-CG1 3.63Å; V416-R447 PolarHBondContact N-O 3.45Å; V416-F448 HydrophobicContact CB-CD1 3.96Å; V416-F448 HydrophobicContact CB-CE1 4.22Å; V416-F448 HydrophobicContact CG1-CD1 4.23Å; V416-F448 HydrophobicContact CG1-CE1 4.36Å; V416-F448 HydrophobicContact CG2-CE1 4.41Å; V416-L449 PolarHBondContact O-N 3.13Å |
| 417 | G | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 128 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | C223 V232 G233 I234 L449 | C223-G417 WeakPolarHBondContact SG-CA 3.41Å; V232-G417 PolarHBondContact O-N 2.88Å; G233-G417 CarbonylContact C-O 3.52Å; G233-G417 WeakPolarHBondContact CA-O 3.29Å; I234-G417 PolarHBondContact N-O 2.94Å; G417-L449 CarbonylContact C-O 3.57Å; G417-L449 WeakPolarHBondContact CA-O 3.37Å |
| 418 | I | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 135.6 | -178.7 | -56.3 | -170.8 | 0 | 0 | 0 | 110.6 | I234 I236 V416 Y423 L433 F448 L449 L450 S451 | I234-I418 HydrophobicContact CB-CG1 4.3Å; I234-I418 WeakPolarHBondContact O-CA 3.16Å; I236-I418 HydrophobicContact CD1-CG2 4.5Å; V416-I418 HydrophobicContact CG1-CD1 4.14Å; V416-I418 HydrophobicContact CG1-CG1 3.81Å; I418-Y423 HydrophobicContact CB-CD1 4.45Å; I418-Y423 HydrophobicContact CB-CE1 4.18Å; I418-Y423 HydrophobicContact CD1-CD2 4.45Å; I418-Y423 HydrophobicContact CD1-CE2 3.84Å; I418-Y423 HydrophobicContact CG2-CD1 3.59Å; I418-Y423 HydrophobicContact CG2-CD2 3.86Å; I418-Y423 HydrophobicContact CG2-CE1 3.78Å; I418-Y423 HydrophobicContact CG2-CE2 4.02Å; I418-Y423 HydrophobicContact CG2-CG 3.63Å; I418-L433 HydrophobicContact CD1-CD2 4.44Å; I418-F448 HydrophobicContact CD1-CD1 3.46Å; I418-F448 VanDerWaalsContact CD1-CD1 3.46Å; I418-F448 HydrophobicContact CD1-CE1 4.03Å; I418-F448 HydrophobicContact CD1-CG 4.4Å; I418-F448 HydrophobicContact CG1-CD1 4.36Å; I418-L449 PolarHBondContact N-O 3.27Å; I418-L450 VanDerWaalsContact O-CD1 3.27Å; I418-L450 WeakPolarHBondContact O-CD1 3.38Å; I418-S451 PolarHBondContact O-N 3.32Å |
| 419 | D | 96 | Very high | 95.1 | Very high | 19 Ų | 19 | 40.2 Ų | 40.2 | 10% | 0.102 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 169.4 | 164.7 | -163.9 | 6 | 0 | 0 | 0 | 110.6 | T219 I234 I235 I236 K424 G454 | T219-D419 HydrophobicContact CG2-CB 4.02Å; I234-D419 PolarHBondContact O-N 3.12Å; I235-D419 CarbonylContact C-O 3.37Å; I235-D419 WeakPolarHBondContact CA-O 3.17Å; I235-D419 HydrophobicContact CD1-CB 3.81Å; I236-D419 PolarHBondContact N-O 3.02Å; D419-K424 WeakPolarHBondContact OD1-CE 3.29Å; D419-K424 IonicContact OD1-NZ 2.8Å; D419-K424 PolarHBondContact OD1-NZ 3.02Å; D419-K424 IonicContact OD2-NZ 3.43Å; D419-G454 VanDerWaalsContact OD2-CA 3.22Å; D419-G454 WeakPolarHBondContact OD2-CA 3.45Å |
| 420 | G | 94.6 | Very high | 95.9 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 9% | 0.093 | 20% | 0.204 | C | C | . | . | trans | 127.5 | 142.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I236 L422 Y423 K424 | I236-G420 CarbonylContact O-C 3.5Å; I236-G420 VanDerWaalsContact O-CA 3.24Å; I236-G420 WeakPolarHBondContact O-CA 3.41Å; G420-L422 VanDerWaalsContact C-N 3.35Å; G420-L422 PolarHBondContact O-N 3.35Å; G420-Y423 PolarHBondContact O-N 3.45Å; G420-K424 WeakPolarHBondContact O-CB 3.26Å; G420-K424 WeakPolarHBondContact O-CG 3.39Å; G420-K424 PolarHBondContact O-N 3.1Å | ||
| 421 | S | 93.4 | Very high | 96.5 | Very high | 51 Ų | 51 | 42.1 Ų | 42.1 | 36% | 0.357 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.2 | -36.5 | -174.6 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | M425 | S421-M425 WeakPolarHBondContact O-CB 3.48Å; S421-M425 WeakPolarHBondContact O-CG 3.36Å; S421-M425 PolarHBondContact O-N 3.21Å |
| 422 | L | 95.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67 | -46.4 | 179.2 | 171.1 | 61.3 | 0 | 0 | 0 | 110.7 | I236 I303 M308 T342 G420 H426 Y429 | I236-L422 HydrophobicContact CG2-CB 4.31Å; I236-L422 HydrophobicContact CG2-CD2 3.96Å; I236-L422 HydrophobicContact CG2-CG 4.24Å; I236-L422 WeakPolarHBondContact O-CB 3.33Å; I236-L422 PolarHBondContact O-N 2.82Å; I303-L422 WeakPolarHBondContact O-CD2 3.38Å; M308-L422 HydrophobicContact CE-CD1 3.79Å; M308-L422 HydrophobicContact CE-CD2 3.48Å; M308-L422 VanDerWaalsContact CE-CD2 3.48Å; M308-L422 HydrophobicContact CE-CG 4.28Å; M308-L422 HydrophobicContact SD-CD1 3.83Å; M308-L422 HydrophobicContact SD-CD2 4.49Å; T342-L422 HydrophobicContact CG2-CD1 3.88Å; G420-L422 VanDerWaalsContact C-N 3.35Å; G420-L422 PolarHBondContact O-N 3.35Å; L422-H426 HydrophobicContact CD1-CB 3.99Å; L422-H426 WeakPolarHBondContact O-CB 3.42Å; L422-H426 PolarHBondContact O-N 3.35Å; L422-H426 VanDerWaalsContact O-N 3.14Å; L422-Y429 HydrophobicContact CD1-CD2 4.07Å; L422-Y429 HydrophobicContact CD1-CE2 4.36Å; L422-Y429 HydrophobicContact CD2-CD2 4.3Å; L422-Y429 HydrophobicContact CD2-CE2 3.78Å; L422-Y429 HydrophobicContact CG-CD2 4.05Å; L422-Y429 HydrophobicContact CG-CE2 4.02Å; L422-Y429 HydrophobicContact CG-CG 4.45Å |
| 423 | Y | 96.8 | Very high | 96.9 | Very high | 20 Ų | 20 | 36.4 Ų | 36.4 | 8% | 0.078 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.6 | -42.2 | 177.3 | 176.4 | -88 | 0 | 0 | 0 | 112.5 | I236 I418 G420 Y429 A430 L433 H434 L450 | I236-Y423 HydrophobicContact CD1-CD2 4.16Å; I236-Y423 PolarHBondContact O-N 3.04Å; I418-Y423 HydrophobicContact CB-CD1 4.45Å; I418-Y423 HydrophobicContact CB-CE1 4.18Å; I418-Y423 HydrophobicContact CD1-CD2 4.45Å; I418-Y423 HydrophobicContact CD1-CE2 3.84Å; I418-Y423 HydrophobicContact CG2-CD1 3.59Å; I418-Y423 HydrophobicContact CG2-CD2 3.86Å; I418-Y423 HydrophobicContact CG2-CE1 3.78Å; I418-Y423 HydrophobicContact CG2-CE2 4.02Å; I418-Y423 HydrophobicContact CG2-CG 3.63Å; G420-Y423 PolarHBondContact O-N 3.45Å; Y423-Y429 HydrophobicContact CD2-CD1 4.31Å; Y423-A430 HydrophobicContact CD2-CB 3.97Å; Y423-A430 HydrophobicContact CE1-CB 4.31Å; Y423-A430 HydrophobicContact CE2-CB 3.45Å; Y423-A430 VanDerWaalsContact CE2-CB 3.45Å; Y423-L433 HydrophobicContact CD2-CD2 4.09Å; Y423-L433 HydrophobicContact CE2-CD2 4.06Å; Y423-H434 AromaticContact CE2-NE2 3.58Å; Y423-H434 AromaticContact CZ-NE2 3.67Å; Y423-H434 PolarHBondContact OH-CE1 3.45Å; Y423-H434 PolarHBondContact OH-NE2 2.94Å; Y423-L450 HydrophobicContact CD1-CD1 4.05Å; Y423-L450 HydrophobicContact CE1-CD1 3.86Å |
| 424 | K | 94.4 | Very high | 97 | Very high | 73 Ų | 73 | 32 Ų | 32 | 32% | 0.317 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -68.7 | -44.7 | -179.5 | -77.3 | 177.1 | 169.7 | 177 | 0 | 113.3 | D419 G420 L450 S451 | D419-K424 WeakPolarHBondContact OD1-CE 3.29Å; D419-K424 IonicContact OD1-NZ 2.8Å; D419-K424 PolarHBondContact OD1-NZ 3.02Å; D419-K424 IonicContact OD2-NZ 3.43Å; G420-K424 WeakPolarHBondContact O-CB 3.26Å; G420-K424 WeakPolarHBondContact O-CG 3.39Å; G420-K424 PolarHBondContact O-N 3.1Å; K424-L450 HydrophobicContact CD-CD1 4.23Å; K424-L450 HydrophobicContact CG-CD1 3.78Å; K424-L450 HydrophobicContact CG-CD2 4.3Å; K424-S451 WeakPolarHBondContact CE-O 3.45Å; K424-S451 PolarHBondContact NZ-O 3.43Å |
| 425 | M | 94.4 | Very high | 97 | Very high | 143 Ų | 143 | 38.9 Ų | 38.9 | 70% | 0.704 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -97.7 | -20.9 | -165.7 | -56.4 | -61.4 | -72 | 0 | 0 | 113.8 | S421 | S421-M425 WeakPolarHBondContact O-CB 3.48Å; S421-M425 WeakPolarHBondContact O-CG 3.36Å; S421-M425 PolarHBondContact O-N 3.21Å |
| 426 | H | 97.3 | Very high | 97 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 3% | 0.032 | 19% | 0.188 | C | C | . | . | trans | -81.9 | 124.8 | -177.1 | -171 | -75 | 0 | 0 | 0 | 111.7 | S346 E349 L422 H428 Y429 | S346-H426 PolarHBondContact OG-CD2 2.96Å; S346-H426 VanDerWaalsContact OG-CD2 3.26Å; E349-H426 IonicContact OE1-CE1 2.65Å; E349-H426 PolarHBondContact OE1-CE1 2.77Å; E349-H426 IonicContact OE1-NE2 2.77Å; E349-H426 PolarHBondContact OE1-NE2 3.45Å; E349-H426 VanDerWaalsContact OE1-NE2 3.14Å; E349-H426 IonicContact OE2-CE1 2.84Å; L422-H426 HydrophobicContact CD1-CB 3.99Å; L422-H426 WeakPolarHBondContact O-CB 3.42Å; L422-H426 PolarHBondContact O-N 3.35Å; L422-H426 VanDerWaalsContact O-N 3.14Å; H426-H428 PolarHBondContact ND1-N 2.87Å; H426-H428 PolarHBondContact O-N 2.89Å; H426-Y429 PolarHBondContact ND1-N 3.36Å; H426-Y429 PolarHBondContact O-N 2.84Å | ||
| 427 | P | 96.8 | Very high | 97 | Very high | 58 Ų | 58 | 38.8 Ų | 38.8 | 38% | 0.377 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -20 | -166.7 | 25.4 | -35.8 | 0 | 0 | 0 | 114.8 | S346 E349 K350 | S346-P427 WeakPolarHBondContact O-CD 3.27Å; E349-P427 HydrophobicContact CB-CG 4.16Å; E349-P427 WeakPolarHBondContact O-CG 3.48Å; K350-P427 HydrophobicContact CG-CG 4.48Å |
| 428 | H | 97.3 | Very high | 97 | Very high | 25 Ų | 25 | 45.1 Ų | 45.1 | 12% | 0.116 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -7.5 | -174.9 | -64.7 | -30.3 | 0 | 0 | 0 | 114.9 | E349 S351 H426 R432 | E349-H428 PolarHBondContact O-CD2 3.21Å; E349-H428 VanDerWaalsContact O-CD2 3.28Å; E349-H428 PolarHBondContact O-NE2 3.16Å; E349-H428 IonicContact OE2-CD2 3.63Å; S351-H428 PolarHBondContact OG-CE1 3.36Å; S351-H428 PolarHBondContact OG-NE2 3.49Å; H426-H428 PolarHBondContact ND1-N 2.87Å; H426-H428 PolarHBondContact O-N 2.89Å; H428-R432 WeakPolarHBondContact O-CB 3.17Å; H428-R432 WeakPolarHBondContact O-CD 3.41Å; H428-R432 VanDerWaalsContact O-CG 3.25Å; H428-R432 WeakPolarHBondContact O-CG 3.44Å; H428-R432 PolarHBondContact O-N 2.72Å; H428-R432 VanDerWaalsContact O-N 3.09Å |
| 429 | Y | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.6 | -55.2 | -165.3 | -165.2 | -79.7 | 0 | 0 | 0 | 111.8 | I236 M308 S388 A389 L422 Y423 H426 R431 R432 L433 | I236-Y429 HydrophobicContact CD1-CE1 4.07Å; I236-Y429 HydrophobicContact CG2-CE1 3.83Å; M308-Y429 HydrophobicContact CE-CE2 4.09Å; S388-Y429 PolarHBondContact O-OH 2.85Å; S388-Y429 VanDerWaalsContact OG-CE2 3.26Å; S388-Y429 WeakPolarHBondContact OG-CE2 3.49Å; S388-Y429 PolarHBondContact OG-OH 2.76Å; A389-Y429 HydrophobicContact CB-CD1 4.43Å; A389-Y429 HydrophobicContact CB-CD2 4.28Å; A389-Y429 HydrophobicContact CB-CE1 4.15Å; A389-Y429 HydrophobicContact CB-CE2 4Å; A389-Y429 HydrophobicContact CB-CG 4.49Å; A389-Y429 PolarHBondContact N-OH 3.23Å; L422-Y429 HydrophobicContact CD1-CD2 4.07Å; L422-Y429 HydrophobicContact CD1-CE2 4.36Å; L422-Y429 HydrophobicContact CD2-CD2 4.3Å; L422-Y429 HydrophobicContact CD2-CE2 3.78Å; L422-Y429 HydrophobicContact CG-CD2 4.05Å; L422-Y429 HydrophobicContact CG-CE2 4.02Å; L422-Y429 HydrophobicContact CG-CG 4.45Å; Y423-Y429 HydrophobicContact CD2-CD1 4.31Å; H426-Y429 PolarHBondContact ND1-N 3.36Å; H426-Y429 PolarHBondContact O-N 2.84Å; Y429-R431 VanDerWaalsContact C-N 3.3Å; Y429-R431 PolarHBondContact O-N 2.89Å; Y429-R432 PolarHBondContact O-N 3.14Å; Y429-R432 VanDerWaalsContact O-N 3.1Å; Y429-L433 HydrophobicContact CE1-CD2 4.43Å; Y429-L433 WeakPolarHBondContact O-CB 3.49Å; Y429-L433 PolarHBondContact O-N 3.4Å |
| 430 | A | 97.8 | Very high | 97.1 | Very high | 24 Ų | 24 | 49.3 Ų | 49.3 | 20% | 0.198 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.4 | -45.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y423 R432 L433 H434 | Y423-A430 HydrophobicContact CD2-CB 3.97Å; Y423-A430 HydrophobicContact CE1-CB 4.31Å; Y423-A430 HydrophobicContact CE2-CB 3.45Å; Y423-A430 VanDerWaalsContact CE2-CB 3.45Å; A430-R432 PolarHBondContact O-N 3.21Å; A430-L433 PolarHBondContact O-N 2.9Å; A430-H434 WeakPolarHBondContact O-CB 3.29Å; A430-H434 PolarHBondContact O-CD2 3Å; A430-H434 VanDerWaalsContact O-CD2 3.24Å; A430-H434 PolarHBondContact O-N 3.28Å; A430-H434 PolarHBondContact O-ND1 2.67Å |
| 431 | R | 98.2 | Very high | 97.2 | Very high | 171 Ų | 171 | 49.2 Ų | 49.2 | 65% | 0.645 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -60.9 | -44.2 | 178.1 | -174.4 | 178.3 | 66.3 | 166.7 | -1.6 | 112.4 | Y429 K435 | Y429-R431 VanDerWaalsContact C-N 3.3Å; Y429-R431 PolarHBondContact O-N 2.89Å; R431-K435 WeakPolarHBondContact O-CB 3.43Å; R431-K435 PolarHBondContact O-N 3.42Å; R431-K435 VanDerWaalsContact O-N 3.1Å |
| 432 | R | 98.4 | Very high | 97.3 | Very high | 35 Ų | 35 | 51.2 Ų | 51.2 | 13% | 0.132 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.3 | -50.5 | 178.5 | -74.8 | 166.8 | 171.5 | 156.5 | 9.7 | 110.6 | E349 S382 S385 H386 A389 H428 Y429 A430 H434 K435 T436 | E349-R432 IonicContact OE1-NH1 3.53Å; E349-R432 IonicContact OE2-CZ 3.97Å; E349-R432 VanDerWaalsContact OE2-CZ 3.29Å; E349-R432 IonicContact OE2-NH1 3.31Å; E349-R432 PolarHBondContact OE2-NH1 2.97Å; E349-R432 IonicContact OE2-NH2 3.66Å; E349-R432 PolarHBondContact OE2-NH2 3.32Å; S382-R432 PolarHBondContact OG-NH2 2.99Å; S385-R432 PolarHBondContact OG-NH1 3.37Å; H386-R432 VanDerWaalsContact ND1-CD 3.27Å; H386-R432 WeakPolarHBondContact ND1-CD 3.41Å; H386-R432 WeakPolarHBondContact ND1-CG 3.44Å; A389-R432 HydrophobicContact CB-CB 4.01Å; H428-R432 WeakPolarHBondContact O-CB 3.17Å; H428-R432 WeakPolarHBondContact O-CD 3.41Å; H428-R432 VanDerWaalsContact O-CG 3.25Å; H428-R432 WeakPolarHBondContact O-CG 3.44Å; H428-R432 PolarHBondContact O-N 2.72Å; H428-R432 VanDerWaalsContact O-N 3.09Å; Y429-R432 PolarHBondContact O-N 3.14Å; Y429-R432 VanDerWaalsContact O-N 3.1Å; A430-R432 PolarHBondContact O-N 3.21Å; R432-H434 PolarHBondContact O-N 2.93Å; R432-K435 PolarHBondContact O-N 3.46Å; R432-T436 PolarHBondContact O-N 3.4Å; R432-T436 PolarHBondContact O-OG1 3.29Å |
| 433 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -53.9 | -54.8 | 176.9 | 173.2 | 59.9 | 0 | 0 | 0 | 111.1 | I236 A389 V392 A393 I418 Y423 Y429 A430 K435 T436 V437 | I236-L433 HydrophobicContact CD1-CD2 3.69Å; A389-L433 HydrophobicContact CB-CB 4.28Å; A389-L433 WeakPolarHBondContact O-CD1 3.41Å; V392-L433 HydrophobicContact CB-CD1 4.01Å; V392-L433 HydrophobicContact CG1-CD1 3.82Å; V392-L433 HydrophobicContact CG1-CD2 4.27Å; A393-L433 HydrophobicContact CB-CD1 3.84Å; I418-L433 HydrophobicContact CD1-CD2 4.44Å; Y423-L433 HydrophobicContact CD2-CD2 4.09Å; Y423-L433 HydrophobicContact CE2-CD2 4.06Å; Y429-L433 HydrophobicContact CE1-CD2 4.43Å; Y429-L433 WeakPolarHBondContact O-CB 3.49Å; Y429-L433 PolarHBondContact O-N 3.4Å; A430-L433 PolarHBondContact O-N 2.9Å; L433-K435 VanDerWaalsContact C-N 3.3Å; L433-K435 PolarHBondContact O-N 3.15Å; L433-T436 PolarHBondContact O-N 3.1Å; L433-T436 VanDerWaalsContact O-N 3.16Å; L433-V437 HydrophobicContact CD1-CG2 3.87Å; L433-V437 HydrophobicContact CG-CG2 4.44Å; L433-V437 WeakPolarHBondContact O-CG2 3.3Å; L433-V437 PolarHBondContact O-N 2.96Å |
| 434 | H | 98.5 | Very high | 97.3 | Very high | 30 Ų | 30 | 54 Ų | 54 | 14% | 0.139 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.1 | -39.2 | -177.7 | -60 | 168.3 | 0 | 0 | 0 | 112.5 | Y423 A430 R432 R438 F448 | Y423-H434 AromaticContact CE2-NE2 3.58Å; Y423-H434 AromaticContact CZ-NE2 3.67Å; Y423-H434 PolarHBondContact OH-CE1 3.45Å; Y423-H434 PolarHBondContact OH-NE2 2.94Å; A430-H434 WeakPolarHBondContact O-CB 3.29Å; A430-H434 PolarHBondContact O-CD2 3Å; A430-H434 VanDerWaalsContact O-CD2 3.24Å; A430-H434 PolarHBondContact O-N 3.28Å; A430-H434 PolarHBondContact O-ND1 2.67Å; R432-H434 PolarHBondContact O-N 2.93Å; H434-R438 WeakPolarHBondContact O-CG 3.48Å; H434-R438 PolarHBondContact O-N 3.24Å; H434-F448 HydrophobicContact CB-CD2 4.18Å; H434-F448 HydrophobicContact CB-CE2 3.93Å; H434-F448 AromaticContact CD2-CD1 3.79Å; H434-F448 AromaticContact CD2-CD2 3.26Å; H434-F448 WeakPolarHBondContact CD2-CD2 3.47Å; H434-F448 AromaticContact CD2-CE1 3.89Å; H434-F448 AromaticContact CD2-CE2 3.41Å; H434-F448 VanDerWaalsContact CD2-CE2 3.41Å; H434-F448 WeakPolarHBondContact CD2-CE2 3.23Å; H434-F448 AromaticContact CD2-CG 3.45Å; H434-F448 VanDerWaalsContact CD2-CG 3.45Å; H434-F448 WeakPolarHBondContact CD2-CG 3.46Å; H434-F448 AromaticContact CD2-CZ 3.7Å; H434-F448 AromaticContact CE1-CD2 3.93Å; H434-F448 AromaticContact CE1-CG 3.88Å; H434-F448 AromaticContact CG-CD2 3.56Å; H434-F448 AromaticContact CG-CE2 3.72Å; H434-F448 AromaticContact ND1-CD2 3.96Å; H434-F448 AromaticContact NE2-CD1 3.72Å; H434-F448 AromaticContact NE2-CD2 3.54Å; H434-F448 AromaticContact NE2-CG 3.28Å; H434-F448 VanDerWaalsContact NE2-CG 3.28Å; H434-F448 WeakPolarHBondContact NE2-CG 3.26Å |
| 435 | K | 98.4 | Very high | 97.4 | Very high | 145 Ų | 145 | 54 Ų | 54 | 63% | 0.63 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.5 | -42.4 | 177.9 | -174.3 | -177.8 | 178.8 | -175.4 | 0 | 111.2 | R431 R432 L433 R439 | R431-K435 WeakPolarHBondContact O-CB 3.43Å; R431-K435 PolarHBondContact O-N 3.42Å; R431-K435 VanDerWaalsContact O-N 3.1Å; R432-K435 PolarHBondContact O-N 3.46Å; L433-K435 VanDerWaalsContact C-N 3.3Å; L433-K435 PolarHBondContact O-N 3.15Å; K435-R439 WeakPolarHBondContact O-CB 3.42Å; K435-R439 PolarHBondContact O-N 2.77Å |
| 436 | T | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.5 | -43.9 | 179.3 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | L36 N390 A393 R432 L433 R438 R439 L440 | L36-T436 HydrophobicContact CD1-CG2 3.8Å; N390-T436 WeakPolarHBondContact OD1-CG2 3.27Å; N390-T436 PolarHBondContact OD1-OG1 3.12Å; A393-T436 HydrophobicContact CB-CG2 3.5Å; R432-T436 PolarHBondContact O-N 3.4Å; R432-T436 PolarHBondContact O-OG1 3.29Å; L433-T436 PolarHBondContact O-N 3.1Å; L433-T436 VanDerWaalsContact O-N 3.16Å; T436-R438 PolarHBondContact O-N 2.87Å; T436-R439 WeakPolarHBondContact O-CB 3.44Å; T436-R439 PolarHBondContact O-N 2.8Å; T436-L440 HydrophobicContact CG2-CD1 3.87Å; T436-L440 HydrophobicContact CG2-CG 4.11Å; T436-L440 WeakPolarHBondContact O-CG 3.39Å; T436-L440 PolarHBondContact O-N 2.76Å |
| 437 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -55.9 | -51.6 | 176.2 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | A393 L396 L400 L433 R439 L440 V441 F448 | A393-V437 HydrophobicContact CB-CG2 3.66Å; L396-V437 HydrophobicContact CD2-CG1 4.36Å; L396-V437 HydrophobicContact CD2-CG2 3.95Å; L400-V437 HydrophobicContact CD1-CG1 3.83Å; L433-V437 HydrophobicContact CD1-CG2 3.87Å; L433-V437 HydrophobicContact CG-CG2 4.44Å; L433-V437 WeakPolarHBondContact O-CG2 3.3Å; L433-V437 PolarHBondContact O-N 2.96Å; V437-R439 PolarHBondContact O-N 2.79Å; V437-R439 VanDerWaalsContact O-N 3.15Å; V437-L440 PolarHBondContact O-N 3.45Å; V437-L440 VanDerWaalsContact O-N 3.14Å; V437-V441 HydrophobicContact CG1-CG2 3.89Å; V437-V441 WeakPolarHBondContact O-CG2 3.4Å; V437-V441 PolarHBondContact O-N 2.82Å; V437-F448 HydrophobicContact CB-CZ 4.09Å; V437-F448 HydrophobicContact CG1-CZ 4Å; V437-F448 HydrophobicContact CG2-CZ 4.17Å |
| 438 | R | 97.8 | Very high | 97.7 | Very high | 132 Ų | 132 | 52.5 Ų | 52.5 | 50% | 0.498 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.2 | -26.4 | 179.8 | -69.2 | -177.5 | -166.9 | 113.3 | 1.8 | 113.6 | H434 T436 | H434-R438 WeakPolarHBondContact O-CG 3.48Å; H434-R438 PolarHBondContact O-N 3.24Å; T436-R438 PolarHBondContact O-N 2.87Å |
| 439 | R | 97.8 | Very high | 97.8 | Very high | 97 Ų | 97 | 52.8 Ų | 52.8 | 37% | 0.366 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -78.8 | -40.3 | 176.8 | -172.2 | 170.5 | 70.2 | -102.6 | 2.8 | 112 | D33 K435 T436 V437 | D33-R439 IonicContact OD1-CZ 3.71Å; D33-R439 VanDerWaalsContact OD1-CZ 3.25Å; D33-R439 IonicContact OD1-NE 3.43Å; D33-R439 PolarHBondContact OD1-NE 2.9Å; D33-R439 IonicContact OD1-NH2 4Å; D33-R439 PolarHBondContact OD1-NH2 3.38Å; D33-R439 WeakPolarHBondContact OD2-CD 3.48Å; D33-R439 IonicContact OD2-CZ 3.33Å; D33-R439 IonicContact OD2-NE 2.68Å; D33-R439 PolarHBondContact OD2-NE 2.77Å; D33-R439 IonicContact OD2-NH2 2.66Å; K435-R439 WeakPolarHBondContact O-CB 3.42Å; K435-R439 PolarHBondContact O-N 2.77Å; T436-R439 WeakPolarHBondContact O-CB 3.44Å; T436-R439 PolarHBondContact O-N 2.8Å; V437-R439 PolarHBondContact O-N 2.79Å; V437-R439 VanDerWaalsContact O-N 3.15Å |
| 440 | L | 98.2 | Very high | 97.7 | Very high | 11 Ų | 11 | 55.4 Ų | 55.4 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -75 | -29 | -180 | -64.1 | 179.4 | 0 | 0 | 0 | 113.1 | L36 L37 A393 A394 A397 T436 V437 | L36-L440 HydrophobicContact CB-CD1 4.03Å; L36-L440 HydrophobicContact CB-CD2 3.96Å; L36-L440 HydrophobicContact CD1-CD1 4.44Å; L37-L440 HydrophobicContact CD2-CD2 4.07Å; L37-L440 HydrophobicContact CG-CD2 4.06Å; A393-L440 HydrophobicContact CB-CD1 4.3Å; A394-L440 HydrophobicContact CB-CD1 4.38Å; A397-L440 HydrophobicContact CB-CB 4.1Å; A397-L440 HydrophobicContact CB-CD1 4.4Å; T436-L440 HydrophobicContact CG2-CD1 3.87Å; T436-L440 HydrophobicContact CG2-CG 4.11Å; T436-L440 WeakPolarHBondContact O-CG 3.39Å; T436-L440 PolarHBondContact O-N 2.76Å; V437-L440 PolarHBondContact O-N 3.45Å; V437-L440 VanDerWaalsContact O-N 3.14Å |
| 441 | V | 96.8 | Very high | 97.5 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | trans | -129.3 | 72 | 179.3 | -73.5 | 0 | 0 | 0 | 0 | 111.7 | A397 L400 Q401 V437 D443 C444 | A397-V441 HydrophobicContact CB-CG1 3.76Å; L400-V441 HydrophobicContact CD1-CG2 3.88Å; Q401-V441 HydrophobicContact CG-CG1 3.93Å; V437-V441 HydrophobicContact CG1-CG2 3.89Å; V437-V441 WeakPolarHBondContact O-CG2 3.4Å; V437-V441 PolarHBondContact O-N 2.82Å; V441-D443 PolarHBondContact O-N 3.33Å; V441-C444 HydrophobicContact CB-CB 4.07Å; V441-C444 HydrophobicContact CG2-CB 4.02Å; V441-C444 PolarHBondContact O-N 2.61Å; V441-C444 VanDerWaalsContact O-N 3.09Å | ||
| 442 | P | 96.1 | Very high | 96.9 | Very high | 93 Ų | 93 | 53.5 Ų | 53.5 | 60% | 0.604 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.6 | -176 | 26.3 | -35.4 | 0 | 0 | 0 | 113.8 | C444 | P442-C444 VanDerWaalsContact C-N 3.25Å; P442-C444 PolarHBondContact O-N 2.84Å |
| 443 | D | 95.4 | Very high | 95.9 | Very high | 76 Ų | 76 | 53.1 Ų | 53.1 | 41% | 0.406 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 2.8 | 178 | -58 | -30 | 0 | 0 | 0 | 113.8 | K404 R411 L412 V441 | K404-D443 IonicContact NZ-OD2 3.42Å; K404-D443 PolarHBondContact NZ-OD2 2.86Å; R411-D443 VanDerWaalsContact CA-O 3.26Å; R411-D443 WeakPolarHBondContact CA-O 3.24Å; R411-D443 WeakPolarHBondContact CB-O 3.26Å; L412-D443 PolarHBondContact N-O 3.33Å; V441-D443 PolarHBondContact O-N 3.33Å |
| 444 | C | 96.5 | Very high | 95.3 | Very high | 8 Ų | 8 | 53.1 Ų | 53.1 | 5% | 0.054 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 113.4 | -178.2 | -62.6 | 0 | 0 | 0 | 0 | 110.9 | L412 V441 P442 V446 | L412-C444 HydrophobicContact CB-CB 4.41Å; L412-C444 CarbonylContact O-C 3.6Å; L412-C444 WeakPolarHBondContact O-CA 3.14Å; V441-C444 HydrophobicContact CB-CB 4.07Å; V441-C444 HydrophobicContact CG2-CB 4.02Å; V441-C444 PolarHBondContact O-N 2.61Å; V441-C444 VanDerWaalsContact O-N 3.09Å; P442-C444 VanDerWaalsContact C-N 3.25Å; P442-C444 PolarHBondContact O-N 2.84Å; C444-V446 HydrophobicContact CB-CG2 3.85Å; C444-V446 PolarHBondContact O-N 3.31Å; C444-V446 VanDerWaalsContact O-N 3.16Å |
| 445 | D | 96.9 | Very high | 94.8 | Very high | 73 Ų | 73 | 51.8 Ų | 51.8 | 39% | 0.39 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 86.9 | 171.5 | -64.5 | -46 | 0 | 0 | 0 | 109.6 | R411 L412 K413 T414 | R411-D445 IonicContact CZ-OD1 3.29Å; R411-D445 IonicContact CZ-OD2 3.18Å; R411-D445 IonicContact NE-OD2 3.85Å; R411-D445 PolarHBondContact NE-OD2 3.31Å; R411-D445 VanDerWaalsContact NH2-CG 3.25Å; R411-D445 IonicContact NH2-OD1 2.88Å; R411-D445 PolarHBondContact NH2-OD1 2.95Å; R411-D445 IonicContact NH2-OD2 3.83Å; R411-D445 PolarHBondContact NH2-OD2 3.01Å; L412-D445 PolarHBondContact O-N 3.04Å; K413-D445 HydrophobicContact CG-CB 4.33Å; T414-D445 PolarHBondContact N-O 3.27Å |
| 446 | V | 97.9 | Very high | 94.3 | Very high | 13 Ų | 13 | 44.9 Ų | 44.9 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 123 | -174.2 | -172.3 | 0 | 0 | 0 | 0 | 112 | L400 V416 C444 F448 | L400-V446 HydrophobicContact CD1-CG2 3.63Å; L400-V446 HydrophobicContact CD2-CG2 4.2Å; V416-V446 HydrophobicContact CB-CG1 4.43Å; V416-V446 HydrophobicContact CG2-CG1 3.63Å; C444-V446 HydrophobicContact CB-CG2 3.85Å; C444-V446 PolarHBondContact O-N 3.31Å; C444-V446 VanDerWaalsContact O-N 3.16Å; V446-F448 HydrophobicContact CB-CE2 4.32Å; V446-F448 HydrophobicContact CB-CZ 4.46Å; V446-F448 HydrophobicContact CG1-CD1 4.4Å; V446-F448 HydrophobicContact CG1-CD2 4.32Å; V446-F448 HydrophobicContact CG1-CE1 4.02Å; V446-F448 HydrophobicContact CG1-CE2 3.9Å; V446-F448 HydrophobicContact CG1-CZ 3.75Å |
| 447 | R | 98.3 | Very high | 93.9 | Very high | 134 Ų | 134 | 45.5 Ų | 45.5 | 51% | 0.506 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 130.5 | 164.8 | -177.1 | -176.3 | -177.7 | -173.4 | 1.6 | 109.4 | D227 T414 T415 V416 | D227-R447 WeakPolarHBondContact OD2-CD 3.28Å; D227-R447 IonicContact OD2-CZ 2.81Å; D227-R447 IonicContact OD2-NE 3.24Å; D227-R447 IonicContact OD2-NH1 3.44Å; D227-R447 PolarHBondContact OD2-NH1 2.92Å; T414-R447 PolarHBondContact O-N 3.48Å; T415-R447 CarbonylContact C-O 3.57Å; T415-R447 WeakPolarHBondContact CA-O 3.43Å; T415-R447 HydrophobicContact CG2-CB 4.4Å; T415-R447 HydrophobicContact CG2-CG 4.42Å; V416-R447 PolarHBondContact N-O 3.45Å |
| 448 | F | 98.4 | Very high | 93.5 | Very high | 28 Ų | 28 | 45.5 Ų | 45.5 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 122 | 171.3 | -64.8 | -79.2 | 0 | 0 | 0 | 108.7 | L396 V416 I418 H434 V437 V446 | L396-F448 HydrophobicContact CD2-CE1 3.8Å; L396-F448 HydrophobicContact CD2-CZ 4.27Å; V416-F448 HydrophobicContact CB-CD1 3.96Å; V416-F448 HydrophobicContact CB-CE1 4.22Å; V416-F448 HydrophobicContact CG1-CD1 4.23Å; V416-F448 HydrophobicContact CG1-CE1 4.36Å; V416-F448 HydrophobicContact CG2-CE1 4.41Å; I418-F448 HydrophobicContact CD1-CD1 3.46Å; I418-F448 VanDerWaalsContact CD1-CD1 3.46Å; I418-F448 HydrophobicContact CD1-CE1 4.03Å; I418-F448 HydrophobicContact CD1-CG 4.4Å; I418-F448 HydrophobicContact CG1-CD1 4.36Å; H434-F448 HydrophobicContact CB-CD2 4.18Å; H434-F448 HydrophobicContact CB-CE2 3.93Å; H434-F448 AromaticContact CD2-CD1 3.79Å; H434-F448 AromaticContact CD2-CD2 3.26Å; H434-F448 WeakPolarHBondContact CD2-CD2 3.47Å; H434-F448 AromaticContact CD2-CE1 3.89Å; H434-F448 AromaticContact CD2-CE2 3.41Å; H434-F448 VanDerWaalsContact CD2-CE2 3.41Å; H434-F448 WeakPolarHBondContact CD2-CE2 3.23Å; H434-F448 AromaticContact CD2-CG 3.45Å; H434-F448 VanDerWaalsContact CD2-CG 3.45Å; H434-F448 WeakPolarHBondContact CD2-CG 3.46Å; H434-F448 AromaticContact CD2-CZ 3.7Å; H434-F448 AromaticContact CE1-CD2 3.93Å; H434-F448 AromaticContact CE1-CG 3.88Å; H434-F448 AromaticContact CG-CD2 3.56Å; H434-F448 AromaticContact CG-CE2 3.72Å; H434-F448 AromaticContact ND1-CD2 3.96Å; H434-F448 AromaticContact NE2-CD1 3.72Å; H434-F448 AromaticContact NE2-CD2 3.54Å; H434-F448 AromaticContact NE2-CG 3.28Å; H434-F448 VanDerWaalsContact NE2-CG 3.28Å; H434-F448 WeakPolarHBondContact NE2-CG 3.26Å; V437-F448 HydrophobicContact CB-CZ 4.09Å; V437-F448 HydrophobicContact CG1-CZ 4Å; V437-F448 HydrophobicContact CG2-CZ 4.17Å; V446-F448 HydrophobicContact CB-CE2 4.32Å; V446-F448 HydrophobicContact CB-CZ 4.46Å; V446-F448 HydrophobicContact CG1-CD1 4.4Å; V446-F448 HydrophobicContact CG1-CD2 4.32Å; V446-F448 HydrophobicContact CG1-CE1 4.02Å; V446-F448 HydrophobicContact CG1-CE2 3.9Å; V446-F448 HydrophobicContact CG1-CZ 3.75Å |
| 449 | L | 97.6 | Very high | 93.2 | Very high | 32 Ų | 32 | 39.2 Ų | 39.2 | 17% | 0.168 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.8 | -179.6 | -173.8 | 58.8 | 0 | 0 | 0 | 109.1 | C223 D226 D227 T415 V416 G417 I418 | C223-L449 HydrophobicContact CB-CD2 3.9Å; C223-L449 HydrophobicContact CB-CG 4.33Å; D226-L449 HydrophobicContact CB-CD2 4.33Å; D227-L449 HydrophobicContact CB-CD2 4.06Å; T415-L449 HydrophobicContact CG2-CB 3.79Å; T415-L449 HydrophobicContact CG2-CD2 4.38Å; V416-L449 PolarHBondContact O-N 3.13Å; G417-L449 CarbonylContact C-O 3.57Å; G417-L449 WeakPolarHBondContact CA-O 3.37Å; I418-L449 PolarHBondContact N-O 3.27Å |
| 450 | L | 96.8 | Very high | 92.9 | Very high | 55 Ų | 55 | 34.6 Ų | 34.6 | 29% | 0.288 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 131.4 | 178.2 | -175.8 | 57.3 | 0 | 0 | 0 | 109.8 | I418 Y423 K424 E452 | I418-L450 VanDerWaalsContact O-CD1 3.27Å; I418-L450 WeakPolarHBondContact O-CD1 3.38Å; Y423-L450 HydrophobicContact CD1-CD1 4.05Å; Y423-L450 HydrophobicContact CE1-CD1 3.86Å; K424-L450 HydrophobicContact CD-CD1 4.23Å; K424-L450 HydrophobicContact CG-CD1 3.78Å; K424-L450 HydrophobicContact CG-CD2 4.3Å; L450-E452 WeakPolarHBondContact CD2-OE1 3.29Å; L450-E452 PolarHBondContact O-N 2.95Å |
| 451 | S | 93.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | trans | -81.3 | 102.3 | 169.4 | -178.4 | 0 | 0 | 0 | 0 | 110 | T222 I418 K424 G454 | T222-S451 VanDerWaalsContact CG2-OG 3.24Å; T222-S451 WeakPolarHBondContact CG2-OG 3.33Å; I418-S451 PolarHBondContact O-N 3.32Å; K424-S451 WeakPolarHBondContact CE-O 3.45Å; K424-S451 PolarHBondContact NZ-O 3.43Å; S451-G454 WeakPolarHBondContact OG-CA 3.38Å; S451-G454 PolarHBondContact OG-N 3.41Å; S451-G454 PolarHBondContact OG-O 3.21Å | ||
| 452 | E | 85.1 | Confident | 92.1 | Very high | 153 Ų | 153 | 34 Ų | 34 | 72% | 0.715 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -69.5 | -41.6 | 178.9 | -65.1 | -61.9 | 161.4 | 0 | 0 | 111.9 | L450 G454 | L450-E452 WeakPolarHBondContact CD2-OE1 3.29Å; L450-E452 PolarHBondContact O-N 2.95Å; E452-G454 VanDerWaalsContact C-N 3.31Å; E452-G454 PolarHBondContact O-N 2.9Å |
| 453 | S | 78.3 | Confident | 91.9 | Very high | 28 Ų | 28 | 29.6 Ų | 29.6 | 20% | 0.196 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -83.7 | -2.3 | -179.4 | 53.3 | 0 | 0 | 0 | 0 | 114.4 | M113 | M113-S453 VanDerWaalsContact CE-CB 3.47Š|
| 454 | G | 85.1 | Confident | 91.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | -156.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T222 D419 S451 E452 | T222-G454 PolarHBondContact OG1-O 2.88Å; T222-G454 VanDerWaalsContact OG1-O 3.04Å; D419-G454 VanDerWaalsContact OD2-CA 3.22Å; D419-G454 WeakPolarHBondContact OD2-CA 3.45Å; S451-G454 WeakPolarHBondContact OG-CA 3.38Å; S451-G454 PolarHBondContact OG-N 3.41Å; S451-G454 PolarHBondContact OG-O 3.21Å; E452-G454 VanDerWaalsContact C-N 3.31Å; E452-G454 PolarHBondContact O-N 2.9Å |
| 455 | S | 89.5 | Confident | 90.8 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.014 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -20.6 | -175.7 | 46.9 | 0 | 0 | 0 | 0 | 114.7 | D90 K457 G458 A459 | D90-S455 PolarHBondContact OD1-OG 3.04Å; D90-S455 PolarHBondContact OD2-OG 3.5Å; S455-K457 PolarHBondContact O-N 3.47Å; S455-G458 PolarHBondContact O-N 3.45Å; S455-A459 PolarHBondContact O-N 2.7Å |
| 456 | G | 87.9 | Confident | 90.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G458 A459 A460 | G456-G458 PolarHBondContact O-N 3.38Å; G456-A459 PolarHBondContact O-N 2.89Å; G456-A460 PolarHBondContact O-N 2.95Å |
| 457 | K | 89 | Confident | 89.7 | Confident | 13 Ų | 13 | 27.7 Ų | 27.7 | 6% | 0.057 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.3 | -48.1 | 175.4 | 178.5 | 171.7 | 161 | -163 | 0 | 110.7 | V111 M113 T222 D226 S455 A460 M461 | V111-K457 HydrophobicContact CG1-CD 4.33Å; V111-K457 HydrophobicContact CG1-CG 4.39Å; M113-K457 HydrophobicContact CE-CD 4.42Å; M113-K457 HydrophobicContact SD-CB 3.75Å; M113-K457 HydrophobicContact SD-CD 4.32Å; M113-K457 HydrophobicContact SD-CG 4.26Å; T222-K457 HydrophobicContact CG2-CB 3.98Å; T222-K457 HydrophobicContact CG2-CD 4.09Å; T222-K457 HydrophobicContact CG2-CG 4.32Å; D226-K457 VanDerWaalsContact CG-NZ 3.32Å; D226-K457 IonicContact OD1-NZ 3.43Å; D226-K457 PolarHBondContact OD1-NZ 2.98Å; D226-K457 IonicContact OD2-NZ 3.79Å; D226-K457 PolarHBondContact OD2-NZ 2.93Å; D226-K457 VanDerWaalsContact OD2-NZ 3.16Å; S455-K457 PolarHBondContact O-N 3.47Å; K457-A460 WeakPolarHBondContact O-CB 3.48Å; K457-A460 PolarHBondContact O-N 3.35Å; K457-M461 HydrophobicContact CG-CE 4.22Å; K457-M461 WeakPolarHBondContact O-CG 3.44Å; K457-M461 PolarHBondContact O-N 3.17Å; K457-M461 VanDerWaalsContact O-N 3.08Å |
| 458 | G | 90.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.8 | -37.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G218 T222 S455 G456 A460 M461 V462 | G218-G458 WeakPolarHBondContact O-CA 2.9Å; T222-G458 WeakPolarHBondContact OG1-CA 3.42Å; T222-G458 PolarHBondContact OG1-N 2.94Å; S455-G458 PolarHBondContact O-N 3.45Å; G456-G458 PolarHBondContact O-N 3.38Å; G458-A460 VanDerWaalsContact C-N 3.32Å; G458-A460 PolarHBondContact O-N 3.24Å; G458-M461 PolarHBondContact O-N 3.46Å; G458-V462 WeakPolarHBondContact O-CG2 3.4Å; G458-V462 PolarHBondContact O-N 3.02Å |
| 459 | A | 92.3 | Very high | 88 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.5 | -41 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A88 T159 V213 S455 G456 M461 V462 T463 | A88-A459 HydrophobicContact CB-CB 4.3Å; T159-A459 VanDerWaalsContact OG1-CB 3.27Å; T159-A459 WeakPolarHBondContact OG1-CB 3.45Å; V213-A459 HydrophobicContact CG2-CB 3.77Å; S455-A459 PolarHBondContact O-N 2.7Å; G456-A459 PolarHBondContact O-N 2.89Å; A459-M461 PolarHBondContact O-N 3.32Å; A459-V462 PolarHBondContact O-N 2.91Å; A459-T463 WeakPolarHBondContact O-CB 3.39Å; A459-T463 PolarHBondContact O-N 2.66Å; A459-T463 PolarHBondContact O-OG1 3.18Å |
| 460 | A | 89.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.8 | -38.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F86 V101 G456 K457 G458 T463 A464 | F86-A460 HydrophobicContact CB-CB 4.16Å; F86-A460 HydrophobicContact CD2-CB 4.46Å; V101-A460 HydrophobicContact CB-CB 3.53Å; V101-A460 HydrophobicContact CG1-CB 3.69Å; V101-A460 HydrophobicContact CG2-CB 3.74Å; G456-A460 PolarHBondContact O-N 2.95Å; K457-A460 WeakPolarHBondContact O-CB 3.48Å; K457-A460 PolarHBondContact O-N 3.35Å; G458-A460 VanDerWaalsContact C-N 3.32Å; G458-A460 PolarHBondContact O-N 3.24Å; A460-T463 WeakPolarHBondContact O-CB 3.37Å; A460-T463 PolarHBondContact O-N 2.8Å; A460-A464 PolarHBondContact O-N 2.95Å |
| 461 | M | 88.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | 174.9 | -60.2 | -58.7 | 129.1 | 0 | 0 | 112.3 | P72 E82 V101 V103 V111 F225 K457 G458 A459 T463 A464 V465 | P72-M461 HydrophobicContact CB-CB 4.42Å; P72-M461 HydrophobicContact CB-CG 4.37Å; P72-M461 HydrophobicContact CG-CB 3.75Å; P72-M461 HydrophobicContact CG-CG 3.82Å; E82-M461 HydrophobicContact CB-SD 4.12Å; V101-M461 HydrophobicContact CG1-CE 4.42Å; V103-M461 HydrophobicContact CB-CE 4.42Å; V103-M461 HydrophobicContact CG1-CE 4.22Å; V103-M461 HydrophobicContact CG2-CE 3.31Å; V103-M461 HydrophobicContact CG2-SD 4.3Å; V111-M461 HydrophobicContact CG2-CE 4.47Å; F225-M461 HydrophobicContact CD2-CE 4.33Å; F225-M461 HydrophobicContact CD2-CG 4.26Å; F225-M461 HydrophobicContact CD2-SD 3.68Å; F225-M461 HydrophobicContact CE2-CE 4.27Å; F225-M461 HydrophobicContact CE2-SD 3.83Å; K457-M461 HydrophobicContact CG-CE 4.22Å; K457-M461 WeakPolarHBondContact O-CG 3.44Å; K457-M461 PolarHBondContact O-N 3.17Å; K457-M461 VanDerWaalsContact O-N 3.08Å; G458-M461 PolarHBondContact O-N 3.46Å; A459-M461 PolarHBondContact O-N 3.32Å; M461-T463 VanDerWaalsContact C-N 3.3Å; M461-T463 PolarHBondContact O-N 3.45Å; M461-A464 WeakPolarHBondContact O-CB 3.3Å; M461-A464 PolarHBondContact O-N 3.44Å; M461-V465 PolarHBondContact O-N 2.87Å |
| 462 | V | 91.6 | Very high | 86.3 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.03 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 175.5 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | V68 L169 A211 V213 M221 G458 A459 A464 V465 A466 | V68-V462 HydrophobicContact CG1-CG2 4.3Å; V68-V462 HydrophobicContact CG2-CG1 3.91Å; V68-V462 HydrophobicContact CG2-CG2 3.97Å; L169-V462 HydrophobicContact CD2-CG1 3.98Å; A211-V462 HydrophobicContact CB-CG1 3.96Å; V213-V462 HydrophobicContact CG1-CB 4.07Å; V213-V462 HydrophobicContact CG1-CG1 3.74Å; V213-V462 HydrophobicContact CG1-CG2 4.12Å; M221-V462 HydrophobicContact CE-CG2 3.8Å; M221-V462 HydrophobicContact CG-CG2 3.82Å; M221-V462 HydrophobicContact SD-CG2 4.5Å; G458-V462 WeakPolarHBondContact O-CG2 3.4Å; G458-V462 PolarHBondContact O-N 3.02Å; A459-V462 PolarHBondContact O-N 2.91Å; V462-A464 VanDerWaalsContact C-N 3.33Å; V462-A464 PolarHBondContact O-N 2.82Å; V462-V465 PolarHBondContact O-N 2.84Å; V462-A466 WeakPolarHBondContact O-CB 3.39Å; V462-A466 PolarHBondContact O-N 2.9Å |
| 463 | T | 90.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.7 | -41.5 | 176 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | F86 P155 G157 M210 A459 A460 M461 V465 A466 Y467 | F86-T463 HydrophobicContact CD1-CG2 4.08Å; P155-T463 HydrophobicContact CB-CG2 3.79Å; G157-T463 WeakPolarHBondContact CA-OG1 3.32Å; G157-T463 PolarHBondContact N-OG1 3.07Å; M210-T463 HydrophobicContact CB-CG2 4.12Å; A459-T463 WeakPolarHBondContact O-CB 3.39Å; A459-T463 PolarHBondContact O-N 2.66Å; A459-T463 PolarHBondContact O-OG1 3.18Å; A460-T463 WeakPolarHBondContact O-CB 3.37Å; A460-T463 PolarHBondContact O-N 2.8Å; M461-T463 VanDerWaalsContact C-N 3.3Å; M461-T463 PolarHBondContact O-N 3.45Å; T463-V465 VanDerWaalsContact C-N 3.34Å; T463-V465 PolarHBondContact O-N 3.09Å; T463-A466 PolarHBondContact O-N 3.46Å; T463-Y467 VanDerWaalsContact O-CB 3.28Å; T463-Y467 WeakPolarHBondContact O-CB 3.38Å; T463-Y467 PolarHBondContact O-N 2.64Å |
| 464 | A | 86.3 | Confident | 86.7 | Confident | 3 Ų | 3 | 34 Ų | 34 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.6 | -43 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E82 F86 A460 M461 V462 R468 | E82-A464 HydrophobicContact CB-CB 4.03Å; E82-A464 HydrophobicContact CG-CB 4.32Å; F86-A464 HydrophobicContact CE1-CB 3.97Å; F86-A464 HydrophobicContact CE2-CB 3.73Å; F86-A464 HydrophobicContact CZ-CB 3.35Å; A460-A464 PolarHBondContact O-N 2.95Å; M461-A464 WeakPolarHBondContact O-CB 3.3Å; M461-A464 PolarHBondContact O-N 3.44Å; V462-A464 VanDerWaalsContact C-N 3.33Å; V462-A464 PolarHBondContact O-N 2.82Å; A464-R468 WeakPolarHBondContact O-CB 3.32Å; A464-R468 PolarHBondContact O-N 3.42Å |
| 465 | V | 82.8 | Confident | 87 | Confident | 31 Ų | 31 | 36.9 Ų | 36.9 | 19% | 0.188 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.9 | -45.5 | 176 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | E82 M461 V462 T463 Y467 R468 L469 | E82-V465 HydrophobicContact CG-CG2 4.15Å; M461-V465 PolarHBondContact O-N 2.87Å; V462-V465 PolarHBondContact O-N 2.84Å; T463-V465 VanDerWaalsContact C-N 3.34Å; T463-V465 PolarHBondContact O-N 3.09Å; V465-Y467 VanDerWaalsContact C-N 3.34Å; V465-Y467 PolarHBondContact O-N 3.17Å; V465-R468 PolarHBondContact O-N 2.89Å; V465-L469 HydrophobicContact CG1-CD1 4.14Å; V465-L469 HydrophobicContact CG1-CG 4.5Å; V465-L469 WeakPolarHBondContact O-CG 3.5Å; V465-L469 PolarHBondContact O-N 2.88Å |
| 466 | A | 86.3 | Confident | 87.1 | Confident | 10 Ų | 10 | 37.3 Ų | 37.3 | 8% | 0.083 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.4 | -44.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L169 M210 A211 V462 T463 R468 L469 A470 | L169-A466 HydrophobicContact CD1-CB 4.11Å; M210-A466 HydrophobicContact CB-CB 4.2Å; M210-A466 WeakPolarHBondContact O-CB 3.49Å; A211-A466 HydrophobicContact CB-CB 4.4Å; V462-A466 WeakPolarHBondContact O-CB 3.39Å; V462-A466 PolarHBondContact O-N 2.9Å; T463-A466 PolarHBondContact O-N 3.46Å; A466-R468 PolarHBondContact O-N 2.96Å; A466-L469 PolarHBondContact O-N 3.33Å; A466-A470 WeakPolarHBondContact O-CB 3.35Å; A466-A470 PolarHBondContact O-N 2.74Å |
| 467 | Y | 85.4 | Confident | 87.3 | Confident | 85 Ų | 85 | 39.5 Ų | 39.5 | 33% | 0.333 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.5 | -47 | 176.4 | -178.8 | -103.8 | 0 | 0 | 0 | 112.1 | P155 M210 T463 V465 L469 A470 E471 | P155-Y467 HydrophobicContact CB-CD2 4.13Å; P155-Y467 HydrophobicContact CB-CG 4.49Å; P155-Y467 HydrophobicContact CG-CD2 3.53Å; P155-Y467 HydrophobicContact CG-CE2 3.87Å; P155-Y467 HydrophobicContact CG-CG 3.92Å; M210-Y467 HydrophobicContact CE-CD2 4.13Å; T463-Y467 VanDerWaalsContact O-CB 3.28Å; T463-Y467 WeakPolarHBondContact O-CB 3.38Å; T463-Y467 PolarHBondContact O-N 2.64Å; V465-Y467 VanDerWaalsContact C-N 3.34Å; V465-Y467 PolarHBondContact O-N 3.17Å; Y467-L469 VanDerWaalsContact C-N 3.35Å; Y467-L469 PolarHBondContact O-N 2.89Å; Y467-A470 PolarHBondContact O-N 3.35Å; Y467-E471 HydrophobicContact CD1-CG 4.44Å; Y467-E471 HydrophobicContact CE1-CG 3.99Å; Y467-E471 HydrophobicContact CE2-CG 4.33Å; Y467-E471 PolarHBondContact O-N 3.16Å |
| 468 | R | 80.9 | Confident | 87.6 | Confident | 101 Ų | 101 | 44.8 Ų | 44.8 | 38% | 0.381 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.6 | -42.8 | 176.4 | -178.8 | 175.5 | 63.5 | 96.6 | -6.5 | 112.7 | A464 V465 A466 A470 E471 Q472 | A464-R468 WeakPolarHBondContact O-CB 3.32Å; A464-R468 PolarHBondContact O-N 3.42Å; V465-R468 PolarHBondContact O-N 2.89Å; A466-R468 PolarHBondContact O-N 2.96Å; R468-A470 VanDerWaalsContact C-N 3.35Å; R468-E471 PolarHBondContact O-N 3.31Å; R468-Q472 WeakPolarHBondContact O-CB 3.49Å; R468-Q472 PolarHBondContact O-N 3.02Å |
| 469 | L | 80.4 | Confident | 87.8 | Confident | 77 Ų | 77 | 45 Ų | 45 | 40% | 0.403 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.2 | -36.4 | 178.2 | -69.3 | 174.2 | 0 | 0 | 0 | 112 | V465 A466 Y467 Q472 T473 | V465-L469 HydrophobicContact CG1-CD1 4.14Å; V465-L469 HydrophobicContact CG1-CG 4.5Å; V465-L469 WeakPolarHBondContact O-CG 3.5Å; V465-L469 PolarHBondContact O-N 2.88Å; A466-L469 PolarHBondContact O-N 3.33Å; Y467-L469 VanDerWaalsContact C-N 3.35Å; Y467-L469 PolarHBondContact O-N 2.89Å; L469-Q472 PolarHBondContact O-N 2.92Å; L469-T473 WeakPolarHBondContact O-CB 3.42Å; L469-T473 PolarHBondContact O-N 2.68Å; L469-T473 PolarHBondContact O-OG1 2.98Å |
| 470 | A | 83.4 | Confident | 88 | Confident | 41 Ų | 41 | 45.7 Ų | 45.7 | 34% | 0.339 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.7 | -46 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | M210 A466 Y467 R468 Q472 T473 Q474 | M210-A470 HydrophobicContact CE-CB 3.38Å; A466-A470 WeakPolarHBondContact O-CB 3.35Å; A466-A470 PolarHBondContact O-N 2.74Å; Y467-A470 PolarHBondContact O-N 3.35Å; R468-A470 VanDerWaalsContact C-N 3.35Å; A470-Q472 VanDerWaalsContact C-N 3.35Å; A470-Q472 PolarHBondContact O-N 3.25Å; A470-T473 WeakPolarHBondContact O-CB 3.4Å; A470-T473 PolarHBondContact O-N 2.92Å; A470-Q474 PolarHBondContact O-N 3.01Å |
| 471 | E | 83.6 | Confident | 88.3 | Confident | 94 Ų | 94 | 48.4 Ų | 48.4 | 44% | 0.439 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 174.4 | -74.4 | -123.4 | 115.6 | 0 | 0 | 111.7 | Y467 R468 T473 Q474 E475 | Y467-E471 HydrophobicContact CD1-CG 4.44Å; Y467-E471 HydrophobicContact CE1-CG 3.99Å; Y467-E471 HydrophobicContact CE2-CG 4.33Å; Y467-E471 PolarHBondContact O-N 3.16Å; R468-E471 PolarHBondContact O-N 3.31Å; E471-T473 VanDerWaalsContact C-N 3.33Å; E471-T473 PolarHBondContact O-N 2.91Å; E471-Q474 PolarHBondContact O-N 3.26Å; E471-E475 PolarHBondContact O-N 2.9Å |
| 472 | Q | 83.5 | Confident | 88.7 | Confident | 31 Ų | 31 | 53 Ų | 53 | 15% | 0.145 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 174.4 | 170.8 | 174.4 | -11.1 | 0 | 0 | 111.5 | R468 L469 A470 Q474 E475 I476 F771 | R468-Q472 WeakPolarHBondContact O-CB 3.49Å; R468-Q472 PolarHBondContact O-N 3.02Å; L469-Q472 PolarHBondContact O-N 2.92Å; A470-Q472 VanDerWaalsContact C-N 3.35Å; A470-Q472 PolarHBondContact O-N 3.25Å; Q472-Q474 VanDerWaalsContact C-N 3.31Å; Q472-Q474 PolarHBondContact O-N 3.33Å; Q472-E475 PolarHBondContact O-N 3.32Å; Q472-I476 HydrophobicContact CG-CD1 3.84Å; Q472-I476 HydrophobicContact CG-CG1 4.48Å; Q472-I476 VanDerWaalsContact O-CG1 3.29Å; Q472-I476 WeakPolarHBondContact O-CG1 3.35Å; Q472-I476 PolarHBondContact O-N 3.47Å; Q472-F771 HydrophobicContact CB-CD1 4.26Å; Q472-F771 HydrophobicContact CB-CE1 4.31Å; Q472-F771 HydrophobicContact CG-CB 4.22Å; Q472-F771 HydrophobicContact CG-CD1 3.57Å; Q472-F771 HydrophobicContact CG-CE1 4.06Å; Q472-F771 HydrophobicContact CG-CG 3.93Å; Q472-F771 VanDerWaalsContact NE2-CA 3.3Å; Q472-F771 PolarHBondContact NE2-O 3.26Å |
| 473 | T | 84.8 | Confident | 89 | Confident | 91 Ų | 91 | 53 Ų | 53 | 56% | 0.558 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62 | -40.7 | 178.5 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | L469 A470 E471 I476 A477 | L469-T473 WeakPolarHBondContact O-CB 3.42Å; L469-T473 PolarHBondContact O-N 2.68Å; L469-T473 PolarHBondContact O-OG1 2.98Å; A470-T473 WeakPolarHBondContact O-CB 3.4Å; A470-T473 PolarHBondContact O-N 2.92Å; E471-T473 VanDerWaalsContact C-N 3.33Å; E471-T473 PolarHBondContact O-N 2.91Å; T473-I476 PolarHBondContact O-N 3.42Å; T473-A477 WeakPolarHBondContact O-CB 3.36Å; T473-A477 PolarHBondContact O-N 3.32Å |
| 474 | Q | 88.4 | Confident | 89.3 | Confident | 129 Ų | 129 | 61.9 Ų | 61.9 | 60% | 0.603 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.6 | -43.1 | 176.9 | -173.9 | 177.3 | 4 | 0 | 0 | 112.2 | A470 E471 Q472 A477 K478 | A470-Q474 PolarHBondContact O-N 3.01Å; E471-Q474 PolarHBondContact O-N 3.26Å; Q472-Q474 VanDerWaalsContact C-N 3.31Å; Q472-Q474 PolarHBondContact O-N 3.33Å; Q474-A477 PolarHBondContact O-N 2.91Å; Q474-K478 WeakPolarHBondContact O-CB 3.5Å; Q474-K478 PolarHBondContact O-N 3.34Å |
| 475 | E | 90.6 | Very high | 89.8 | Confident | 61 Ų | 61 | 62.8 Ų | 62.8 | 29% | 0.285 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.1 | -38.8 | 177 | -77.3 | -65.6 | 128.2 | 0 | 0 | 112.2 | E471 Q472 K478 I479 R769 F771 | E471-E475 PolarHBondContact O-N 2.9Å; Q472-E475 PolarHBondContact O-N 3.32Å; E475-K478 WeakPolarHBondContact O-CB 3.43Å; E475-K478 PolarHBondContact O-N 3.45Å; E475-K478 IonicContact OE1-NZ 3.76Å; E475-K478 PolarHBondContact OE1-NZ 2.94Å; E475-I479 WeakPolarHBondContact O-CG1 3.42Å; E475-I479 PolarHBondContact O-N 3.18Å; E475-R769 IonicContact OE2-NH1 2.71Å; E475-F771 HydrophobicContact CB-CE2 4Å; E475-F771 HydrophobicContact CB-CZ 3.8Å |
| 476 | I | 91 | Very high | 90.5 | Very high | 10 Ų | 10 | 64.4 Ų | 64.4 | 5% | 0.051 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.9 | -48.9 | 170.9 | -70.3 | 167.3 | 0 | 0 | 0 | 110 | Q472 T473 K478 I479 L480 M766 F771 I823 | Q472-I476 HydrophobicContact CG-CD1 3.84Å; Q472-I476 HydrophobicContact CG-CG1 4.48Å; Q472-I476 VanDerWaalsContact O-CG1 3.29Å; Q472-I476 WeakPolarHBondContact O-CG1 3.35Å; Q472-I476 PolarHBondContact O-N 3.47Å; T473-I476 PolarHBondContact O-N 3.42Å; I476-K478 VanDerWaalsContact C-N 3.26Å; I476-K478 PolarHBondContact O-N 3.29Å; I476-I479 WeakPolarHBondContact O-CB 3.39Å; I476-I479 PolarHBondContact O-N 3.44Å; I476-I479 VanDerWaalsContact O-N 3.11Å; I476-L480 HydrophobicContact CG2-CD1 3.98Å; I476-L480 HydrophobicContact CG2-CG 4.34Å; I476-L480 WeakPolarHBondContact O-CG 3.49Å; I476-L480 PolarHBondContact O-N 3.11Å; I476-M766 HydrophobicContact CB-CE 4.4Å; I476-M766 HydrophobicContact CG1-CE 4.33Å; I476-M766 HydrophobicContact CG2-CE 3.91Å; I476-F771 HydrophobicContact CD1-CB 4.31Å; I476-F771 HydrophobicContact CG1-CD2 3.87Å; I476-F771 HydrophobicContact CG1-CE2 4.4Å; I476-F771 HydrophobicContact CG1-CG 4.37Å; I476-I823 HydrophobicContact CD1-CD1 3.81Å; I476-I823 HydrophobicContact CD1-CG1 4.18Å; I476-I823 HydrophobicContact CD1-CG2 4.33Å |
| 477 | A | 93.1 | Very high | 91.1 | Very high | 47 Ų | 47 | 67.8 Ų | 67.8 | 39% | 0.388 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.3 | -35.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T473 Q474 L480 S481 | T473-A477 WeakPolarHBondContact O-CB 3.36Å; T473-A477 PolarHBondContact O-N 3.32Å; Q474-A477 PolarHBondContact O-N 2.91Å; A477-L480 PolarHBondContact O-N 3.03Å; A477-S481 WeakPolarHBondContact O-CB 3.29Å; A477-S481 PolarHBondContact O-N 2.92Å |
| 478 | K | 95 | Very high | 91.7 | Very high | 124 Ų | 124 | 70 Ų | 70 | 54% | 0.539 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70 | -34.6 | 175.3 | -176 | -178 | 176.3 | -174.2 | 0 | 113 | Q474 E475 I476 S481 | Q474-K478 WeakPolarHBondContact O-CB 3.5Å; Q474-K478 PolarHBondContact O-N 3.34Å; E475-K478 WeakPolarHBondContact O-CB 3.43Å; E475-K478 PolarHBondContact O-N 3.45Å; E475-K478 IonicContact OE1-NZ 3.76Å; E475-K478 PolarHBondContact OE1-NZ 2.94Å; I476-K478 VanDerWaalsContact C-N 3.26Å; I476-K478 PolarHBondContact O-N 3.29Å; K478-S481 PolarHBondContact O-OG 3.26Å |
| 479 | I | 95.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 68.4 Ų | 68.4 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.8 | -48.6 | 171.3 | -69.2 | 165.6 | 0 | 0 | 0 | 109.7 | E475 I476 S481 K482 Y730 I762 M766 F771 | E475-I479 WeakPolarHBondContact O-CG1 3.42Å; E475-I479 PolarHBondContact O-N 3.18Å; I476-I479 WeakPolarHBondContact O-CB 3.39Å; I476-I479 PolarHBondContact O-N 3.44Å; I476-I479 VanDerWaalsContact O-N 3.11Å; I479-S481 VanDerWaalsContact C-N 3.32Å; I479-S481 PolarHBondContact O-N 2.94Å; I479-K482 WeakPolarHBondContact O-CB 3.26Å; I479-K482 PolarHBondContact O-N 2.84Å; I479-Y730 HydrophobicContact CG2-CE2 4.04Å; I479-Y730 VanDerWaalsContact CG2-OH 3.29Å; I479-Y730 WeakPolarHBondContact CG2-OH 3.34Å; I479-I762 HydrophobicContact CG2-CG2 4.13Å; I479-M766 HydrophobicContact CB-CE 4.05Å; I479-M766 HydrophobicContact CD1-CE 4.12Å; I479-M766 HydrophobicContact CD1-CG 4.16Å; I479-M766 HydrophobicContact CG2-CE 3.78Å; I479-F771 HydrophobicContact CD1-CE2 4.33Å |
| 480 | L | 96.6 | Very high | 93.4 | Very high | 15 Ų | 15 | 65.1 Ų | 65.1 | 8% | 0.079 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.2 | -24.8 | -177 | -62.8 | -176.1 | 0 | 0 | 0 | 113.3 | I476 A477 K482 F483 M766 E826 V827 A830 | I476-L480 HydrophobicContact CG2-CD1 3.98Å; I476-L480 HydrophobicContact CG2-CG 4.34Å; I476-L480 WeakPolarHBondContact O-CG 3.49Å; I476-L480 PolarHBondContact O-N 3.11Å; A477-L480 PolarHBondContact O-N 3.03Å; L480-K482 PolarHBondContact O-N 2.97Å; L480-F483 PolarHBondContact O-N 2.73Å; L480-F483 VanDerWaalsContact O-N 3.1Å; L480-M766 HydrophobicContact CD2-CE 4.16Å; L480-M766 HydrophobicContact CG-CE 4.32Å; L480-E826 HydrophobicContact CD1-CB 4.2Å; L480-V827 HydrophobicContact CD2-CB 4.42Å; L480-V827 HydrophobicContact CD2-CG2 3.94Å; L480-A830 HydrophobicContact CD2-CB 4.1Å |
| 481 | S | 96.4 | Very high | 94.1 | Very high | 56 Ų | 56 | 66.3 Ų | 66.3 | 39% | 0.392 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.7 | -27.3 | 177.6 | 71.3 | 0 | 0 | 0 | 0 | 112.7 | A477 K478 I479 F483 R484 | A477-S481 WeakPolarHBondContact O-CB 3.29Å; A477-S481 PolarHBondContact O-N 2.92Å; K478-S481 PolarHBondContact O-OG 3.26Å; I479-S481 VanDerWaalsContact C-N 3.32Å; I479-S481 PolarHBondContact O-N 2.94Å; S481-F483 PolarHBondContact O-N 3.42Å; S481-F483 VanDerWaalsContact O-N 3.12Å; S481-R484 WeakPolarHBondContact O-CB 3.41Å; S481-R484 PolarHBondContact O-N 3.17Å |
| 482 | K | 96.3 | Very high | 94.8 | Very high | 98 Ų | 98 | 65.3 Ų | 65.3 | 43% | 0.426 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -21.6 | 173.6 | -62.6 | -177.1 | 175.2 | -176.2 | 0 | 113.4 | I479 L480 T728 D729 | I479-K482 WeakPolarHBondContact O-CB 3.26Å; I479-K482 PolarHBondContact O-N 2.84Å; L480-K482 PolarHBondContact O-N 2.97Å; K482-T728 HydrophobicContact CB-CG2 3.92Å; K482-D729 IonicContact NZ-OD2 2.78Å; K482-D729 PolarHBondContact NZ-OD2 3.28Å |
| 483 | F | 97.8 | Very high | 95.5 | Very high | 3 Ų | 3 | 63.8 Ų | 63.8 | 1% | 0.013 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -6.7 | 179.4 | -66.5 | -92 | 0 | 0 | 0 | 113.3 | L480 S481 M485 T728 Y730 I758 I762 A830 V831 R834 | L480-F483 PolarHBondContact O-N 2.73Å; L480-F483 VanDerWaalsContact O-N 3.1Å; S481-F483 PolarHBondContact O-N 3.42Å; S481-F483 VanDerWaalsContact O-N 3.12Å; F483-M485 PolarHBondContact O-N 3.4Å; F483-T728 HydrophobicContact CD1-CG2 4.44Å; F483-T728 HydrophobicContact CE1-CG2 4.12Å; F483-T728 HydrophobicContact CE2-CG2 4.28Å; F483-T728 HydrophobicContact CZ-CG2 4.03Å; F483-Y730 AromaticContact CE2-CD2 3.69Å; F483-Y730 HydrophobicContact CE2-CD2 3.69Å; F483-Y730 AromaticContact CE2-CE2 3.99Å; F483-Y730 HydrophobicContact CE2-CE2 3.99Å; F483-Y730 AromaticContact CZ-CD2 3.54Å; F483-Y730 HydrophobicContact CZ-CD2 3.54Å; F483-Y730 HydrophobicContact CZ-CE2 4.31Å; F483-Y730 HydrophobicContact CZ-CG 4.21Å; F483-I758 HydrophobicContact CE1-CG2 3.7Å; F483-I758 HydrophobicContact CZ-CG2 3.95Å; F483-I762 HydrophobicContact CE1-CD1 4.29Å; F483-I762 HydrophobicContact CE2-CD1 3.65Å; F483-I762 HydrophobicContact CE2-CG1 4.28Å; F483-I762 HydrophobicContact CZ-CD1 3.51Å; F483-I762 HydrophobicContact CZ-CG1 4.17Å; F483-A830 HydrophobicContact CB-CB 4.4Å; F483-V831 HydrophobicContact CD1-CG2 4.19Å; F483-V831 HydrophobicContact CE1-CG2 4.08Å; F483-R834 VanDerWaalsContact CD1-CZ 3.47Å |
| 484 | R | 96.7 | Very high | 96.2 | Very high | 187 Ų | 187 | 60.6 Ų | 60.6 | 71% | 0.706 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -79.5 | 120.6 | 179.3 | -67.1 | -176.8 | 177.8 | 177.7 | -0.1 | 109.7 | S481 | S481-R484 WeakPolarHBondContact O-CB 3.41Å; S481-R484 PolarHBondContact O-N 3.17Å |
| 485 | M | 96.8 | Very high | 96.7 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 11% | 0.108 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -99.3 | 126.7 | 175.7 | -63.6 | -71.8 | -67.6 | 0 | 0 | 110.3 | F483 Q489 L490 V493 F726 R834 L838 | F483-M485 PolarHBondContact O-N 3.4Å; M485-Q489 HydrophobicContact CE-CB 3.91Å; M485-L490 HydrophobicContact CB-CD1 4.26Å; M485-L490 HydrophobicContact CB-CD2 3.82Å; M485-L490 HydrophobicContact CB-CG 3.87Å; M485-L490 HydrophobicContact CE-CD2 3.79Å; M485-L490 HydrophobicContact CE-CG 4.36Å; M485-L490 HydrophobicContact CG-CD2 4.18Å; M485-V493 HydrophobicContact CE-CG2 3.97Å; M485-F726 HydrophobicContact CE-CD1 3.81Å; M485-F726 HydrophobicContact CE-CE1 4.26Å; M485-F726 HydrophobicContact CE-CG 4.26Å; M485-F726 HydrophobicContact SD-CD1 4.18Å; M485-R834 HydrophobicContact CG-CG 3.88Å; M485-L838 HydrophobicContact CE-CD2 3.93Å |
| 486 | T | 98.1 | Very high | 97.1 | Very high | 66 Ų | 66 | 58.6 Ų | 58.6 | 41% | 0.405 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 162.2 | 169.6 | 83.1 | 0 | 0 | 0 | 0 | 111.1 | E488 Q489 L490 | T486-E488 VanDerWaalsContact CB-OE2 3.24Å; T486-E488 WeakPolarHBondContact CB-OE2 3.26Å; T486-E488 PolarHBondContact O-N 3.27Å; T486-E488 PolarHBondContact OG1-N 3.48Å; T486-E488 PolarHBondContact OG1-OE2 2.97Å; T486-Q489 PolarHBondContact O-N 2.79Å; T486-Q489 PolarHBondContact OG1-N 2.95Å; T486-L490 WeakPolarHBondContact O-CG 3.49Å; T486-L490 PolarHBondContact O-N 3.34Å |
| 487 | T | 97.5 | Very high | 97.5 | Very high | 81 Ų | 81 | 58.1 Ų | 58.1 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.5 | -37.8 | 176.8 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | L490 L491 L887 | T487-L490 PolarHBondContact O-N 2.93Å; T487-L491 HydrophobicContact CG2-CD1 4.41Å; T487-L491 WeakPolarHBondContact O-CG 3.48Å; T487-L491 PolarHBondContact O-N 3Å; T487-L887 HydrophobicContact CG2-CD2 4.34Å |
| 488 | E | 98.2 | Very high | 97.7 | Very high | 131 Ų | 131 | 58.4 Ų | 58.4 | 61% | 0.612 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -65 | -43.9 | 177.9 | -58.6 | 71.7 | -153.9 | 0 | 0 | 111.3 | T486 L490 L491 E492 | T486-E488 VanDerWaalsContact CB-OE2 3.24Å; T486-E488 WeakPolarHBondContact CB-OE2 3.26Å; T486-E488 PolarHBondContact O-N 3.27Å; T486-E488 PolarHBondContact OG1-N 3.48Å; T486-E488 PolarHBondContact OG1-OE2 2.97Å; E488-L490 VanDerWaalsContact C-N 3.33Å; E488-L490 PolarHBondContact O-N 2.75Å; E488-L491 PolarHBondContact O-N 3.01Å; E488-E492 PolarHBondContact O-N 3.43Å |
| 489 | Q | 98.4 | Very high | 97.9 | Very high | 67 Ų | 67 | 54.7 Ų | 54.7 | 31% | 0.313 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 175.3 | -68.1 | 177.9 | -49.6 | 0 | 0 | 111.4 | M485 T486 E492 V493 F726 | M485-Q489 HydrophobicContact CE-CB 3.91Å; T486-Q489 PolarHBondContact O-N 2.79Å; T486-Q489 PolarHBondContact OG1-N 2.95Å; Q489-E492 WeakPolarHBondContact O-CB 3.39Å; Q489-E492 PolarHBondContact O-N 2.97Å; Q489-V493 WeakPolarHBondContact O-CG2 3.1Å; Q489-V493 PolarHBondContact O-N 3.35Å; Q489-F726 HydrophobicContact CB-CD1 4.39Å; Q489-F726 HydrophobicContact CB-CE1 3.7Å; Q489-F726 HydrophobicContact CB-CZ 4.48Å; Q489-F726 HydrophobicContact CG-CE1 3.89Å |
| 490 | L | 98.7 | Very high | 98 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.7 | -37.1 | 177.1 | -67.7 | 171.6 | 0 | 0 | 0 | 112.9 | M485 T486 T487 E488 E492 V493 K494 Q837 T883 L887 | M485-L490 HydrophobicContact CB-CD1 4.26Å; M485-L490 HydrophobicContact CB-CD2 3.82Å; M485-L490 HydrophobicContact CB-CG 3.87Å; M485-L490 HydrophobicContact CE-CD2 3.79Å; M485-L490 HydrophobicContact CE-CG 4.36Å; M485-L490 HydrophobicContact CG-CD2 4.18Å; T486-L490 WeakPolarHBondContact O-CG 3.49Å; T486-L490 PolarHBondContact O-N 3.34Å; T487-L490 PolarHBondContact O-N 2.93Å; E488-L490 VanDerWaalsContact C-N 3.33Å; E488-L490 PolarHBondContact O-N 2.75Å; L490-E492 VanDerWaalsContact C-N 3.3Å; L490-V493 PolarHBondContact O-N 2.78Å; L490-K494 WeakPolarHBondContact O-CB 3.46Å; L490-K494 PolarHBondContact O-N 3.23Å; L490-Q837 HydrophobicContact CD1-CB 4.07Å; L490-Q837 HydrophobicContact CD1-CG 4.33Å; L490-Q837 HydrophobicContact CD2-CB 3.8Å; L490-T883 HydrophobicContact CD1-CG2 4.21Å; L490-L887 HydrophobicContact CB-CD1 3.9Å; L490-L887 HydrophobicContact CB-CD2 4.04Å |
| 491 | L | 98.6 | Very high | 98.1 | Very high | 67 Ų | 67 | 54.1 Ų | 54.1 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 171.1 | -78.1 | 169.9 | 0 | 0 | 0 | 111.3 | T487 E488 K494 N495 L887 | T487-L491 HydrophobicContact CG2-CD1 4.41Å; T487-L491 WeakPolarHBondContact O-CG 3.48Å; T487-L491 PolarHBondContact O-N 3Å; E488-L491 PolarHBondContact O-N 3.01Å; L491-K494 HydrophobicContact CD2-CD 4.46Å; L491-K494 WeakPolarHBondContact O-CB 3.29Å; L491-K494 PolarHBondContact O-N 3.16Å; L491-N495 PolarHBondContact O-N 3.35Å; L491-N495 PolarHBondContact O-ND2 3.46Å; L491-L887 HydrophobicContact CD2-CD2 3.73Å; L491-L887 HydrophobicContact CG-CD2 3.72Å |
| 492 | E | 98.7 | Very high | 98.2 | Very high | 72 Ų | 72 | 55.7 Ų | 55.7 | 34% | 0.336 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 176.2 | -178.2 | 57.5 | -163.7 | 0 | 0 | 111.8 | E488 Q489 L490 K494 N495 R496 F726 | E488-E492 PolarHBondContact O-N 3.43Å; Q489-E492 WeakPolarHBondContact O-CB 3.39Å; Q489-E492 PolarHBondContact O-N 2.97Å; L490-E492 VanDerWaalsContact C-N 3.3Å; E492-K494 VanDerWaalsContact C-N 3.3Å; E492-K494 PolarHBondContact O-N 3.45Å; E492-N495 PolarHBondContact O-N 3.41Å; E492-N495 VanDerWaalsContact O-N 3.15Å; E492-R496 HydrophobicContact CG-CG 4.5Å; E492-R496 WeakPolarHBondContact O-CG 3.12Å; E492-R496 PolarHBondContact O-N 3.25Å; E492-R496 IonicContact OE1-CZ 3.5Å; E492-R496 IonicContact OE1-NE 3.54Å; E492-R496 PolarHBondContact OE1-NE 3.37Å; E492-R496 IonicContact OE1-NH2 3.86Å; E492-R496 PolarHBondContact OE1-NH2 2.94Å; E492-F726 HydrophobicContact CB-CZ 4.33Å; E492-F726 HydrophobicContact CG-CZ 4.15Å |
| 493 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.7 | -44.9 | 172.9 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | M485 Q489 L490 R496 M497 F717 L723 F726 Y746 L838 A841 | M485-V493 HydrophobicContact CE-CG2 3.97Å; Q489-V493 WeakPolarHBondContact O-CG2 3.1Å; Q489-V493 PolarHBondContact O-N 3.35Å; L490-V493 PolarHBondContact O-N 2.78Å; V493-R496 PolarHBondContact O-N 3.08Å; V493-M497 WeakPolarHBondContact O-CB 3.46Å; V493-M497 PolarHBondContact O-N 3.03Å; V493-F717 HydrophobicContact CG1-CE1 4.06Å; V493-L723 HydrophobicContact CG2-CD2 4.28Å; V493-F726 HydrophobicContact CG2-CD2 3.76Å; V493-F726 HydrophobicContact CG2-CE2 3.63Å; V493-F726 HydrophobicContact CG2-CG 4.24Å; V493-F726 HydrophobicContact CG2-CZ 4.04Å; V493-Y746 HydrophobicContact CG1-CE2 4.47Å; V493-L838 HydrophobicContact CG1-CD2 4.12Å; V493-L838 HydrophobicContact CG2-CD2 4.15Å; V493-A841 HydrophobicContact CB-CB 4.23Å; V493-A841 HydrophobicContact CG1-CB 3.89Å |
| 494 | K | 98.8 | Very high | 98.2 | Very high | 23 Ų | 23 | 55 Ų | 55 | 10% | 0.1 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59 | -46.7 | 175 | 175.7 | -164.3 | 173.3 | -169.2 | 0 | 111.7 | L490 L491 E492 M497 R498 A841 A844 A845 D848 L887 | L490-K494 WeakPolarHBondContact O-CB 3.46Å; L490-K494 PolarHBondContact O-N 3.23Å; L491-K494 HydrophobicContact CD2-CD 4.46Å; L491-K494 WeakPolarHBondContact O-CB 3.29Å; L491-K494 PolarHBondContact O-N 3.16Å; E492-K494 VanDerWaalsContact C-N 3.3Å; E492-K494 PolarHBondContact O-N 3.45Å; K494-M497 PolarHBondContact O-N 3.31Å; K494-R498 PolarHBondContact O-N 3.21Å; K494-A841 HydrophobicContact CB-CB 4.39Å; K494-A844 HydrophobicContact CD-CB 4.04Å; K494-A844 HydrophobicContact CG-CB 4.26Å; K494-A845 HydrophobicContact CG-CB 3.87Å; K494-A845 WeakPolarHBondContact O-CB 3.43Å; K494-D848 WeakPolarHBondContact CE-OD2 3.32Å; K494-D848 IonicContact NZ-OD2 3.78Å; K494-D848 PolarHBondContact NZ-OD2 2.95Å; K494-L887 HydrophobicContact CD-CB 4.31Å; K494-L887 PolarHBondContact NZ-O 2.94Å |
| 495 | N | 98.7 | Very high | 98.2 | Very high | 90 Ų | 90 | 46.2 Ų | 46.2 | 48% | 0.481 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65 | -42.2 | -179.5 | -68.3 | -22.5 | 0 | 0 | 0 | 111.7 | L491 E492 R498 A499 | L491-N495 PolarHBondContact O-N 3.35Å; L491-N495 PolarHBondContact O-ND2 3.46Å; E492-N495 PolarHBondContact O-N 3.41Å; E492-N495 VanDerWaalsContact O-N 3.15Å; N495-R498 WeakPolarHBondContact O-CB 3.28Å; N495-R498 PolarHBondContact O-N 3.48Å; N495-A499 PolarHBondContact O-N 3.41Å |
| 496 | R | 98.8 | Very high | 98.2 | Very high | 58 Ų | 58 | 45.9 Ų | 45.9 | 22% | 0.219 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 175.5 | -69.5 | -176.7 | -168.7 | 174.3 | 12.5 | 111.6 | E492 V493 R498 A499 E500 F717 C722 D725 | E492-R496 HydrophobicContact CG-CG 4.5Å; E492-R496 WeakPolarHBondContact O-CG 3.12Å; E492-R496 PolarHBondContact O-N 3.25Å; E492-R496 IonicContact OE1-CZ 3.5Å; E492-R496 IonicContact OE1-NE 3.54Å; E492-R496 PolarHBondContact OE1-NE 3.37Å; E492-R496 IonicContact OE1-NH2 3.86Å; E492-R496 PolarHBondContact OE1-NH2 2.94Å; V493-R496 PolarHBondContact O-N 3.08Å; R496-R498 PolarHBondContact O-N 3.31Å; R496-A499 PolarHBondContact O-N 3.13Å; R496-E500 WeakPolarHBondContact O-CG 3.37Å; R496-E500 PolarHBondContact O-N 2.92Å; R496-F717 HydrophobicContact CB-CE2 4.03Å; R496-F717 HydrophobicContact CB-CZ 3.75Å; R496-C722 VanDerWaalsContact CD-O 3.26Å; R496-C722 WeakPolarHBondContact CD-O 3.32Å; R496-C722 PolarHBondContact NH1-O 2.91Å; R496-D725 IonicContact CZ-OD1 3.26Å; R496-D725 IonicContact CZ-OD2 2.73Å; R496-D725 VanDerWaalsContact CZ-OD2 3.29Å; R496-D725 IonicContact NH1-OD1 2.68Å; R496-D725 PolarHBondContact NH1-OD1 3.18Å; R496-D725 IonicContact NH1-OD2 2.63Å; R496-D725 PolarHBondContact NH1-OD2 2.69Å; R496-D725 IonicContact NH2-OD2 3.68Å; R496-D725 PolarHBondContact NH2-OD2 2.87Å |
| 497 | M | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58 | -48 | 172.5 | 178.6 | 62.5 | 79 | 0 | 0 | 110.8 | V493 K494 A499 E500 M501 V515 M712 W714 F717 Y746 A845 | V493-M497 WeakPolarHBondContact O-CB 3.46Å; V493-M497 PolarHBondContact O-N 3.03Å; K494-M497 PolarHBondContact O-N 3.31Å; M497-A499 VanDerWaalsContact C-N 3.28Å; M497-A499 PolarHBondContact O-N 3.48Å; M497-E500 PolarHBondContact O-N 3.4Å; M497-M501 HydrophobicContact CG-CG 4.46Å; M497-M501 HydrophobicContact CG-SD 4.24Å; M497-M501 VanDerWaalsContact O-CG 3.27Å; M497-M501 WeakPolarHBondContact O-CG 3.33Å; M497-M501 PolarHBondContact O-N 3.04Å; M497-M501 HydrophobicContact SD-CG 4.44Å; M497-V515 HydrophobicContact SD-CG2 4.37Å; M497-M712 HydrophobicContact SD-CE 4.07Å; M497-W714 HydrophobicContact CE-CB 4.1Å; M497-W714 HydrophobicContact CE-CE3 4.28Å; M497-F717 HydrophobicContact CB-CE1 4.11Å; M497-F717 HydrophobicContact CB-CZ 4.11Å; M497-F717 HydrophobicContact CE-CB 3.91Å; M497-F717 HydrophobicContact CE-CD1 3.25Å; M497-F717 HydrophobicContact CE-CE1 3.84Å; M497-F717 HydrophobicContact CE-CG 3.66Å; M497-F717 HydrophobicContact SD-CD1 4.26Å; M497-F717 HydrophobicContact SD-CG 4.26Å; M497-Y746 HydrophobicContact CE-CD1 4.19Å; M497-Y746 HydrophobicContact CE-CE1 3.69Å; M497-A845 HydrophobicContact CB-CB 4Å; M497-A845 HydrophobicContact CG-CB 3.82Å |
| 498 | R | 98.6 | Very high | 97.9 | Very high | 53 Ų | 53 | 50.4 Ų | 50.4 | 20% | 0.2 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.3 | -40.1 | 178 | -176 | 67.6 | 169.6 | 106.7 | -4.9 | 112.5 | K494 N495 R496 Q502 A845 K849 E852 | K494-R498 PolarHBondContact O-N 3.21Å; N495-R498 WeakPolarHBondContact O-CB 3.28Å; N495-R498 PolarHBondContact O-N 3.48Å; R496-R498 PolarHBondContact O-N 3.31Å; R498-Q502 PolarHBondContact O-N 3.42Å; R498-A845 HydrophobicContact CB-CB 4.4Å; R498-K849 VanDerWaalsContact CZ-CB 3.49Å; R498-E852 IonicContact CZ-OE2 3.69Å; R498-E852 IonicContact NE-OE2 2.65Å; R498-E852 PolarHBondContact NE-OE2 2.66Å; R498-E852 IonicContact NH2-OE2 3.86Å; R498-E852 PolarHBondContact NH2-OE2 3.16Å |
| 499 | A | 98.3 | Very high | 97.8 | Very high | 47 Ų | 47 | 46.3 Ų | 46.3 | 39% | 0.388 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.4 | -43.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N495 R496 M497 M501 Q502 K503 | N495-A499 PolarHBondContact O-N 3.41Å; R496-A499 PolarHBondContact O-N 3.13Å; M497-A499 VanDerWaalsContact C-N 3.28Å; M497-A499 PolarHBondContact O-N 3.48Å; A499-M501 VanDerWaalsContact C-N 3.35Å; A499-Q502 WeakPolarHBondContact O-CB 3.41Å; A499-Q502 PolarHBondContact O-N 2.98Å; A499-K503 WeakPolarHBondContact O-CG 3.37Å; A499-K503 PolarHBondContact O-N 3.14Å |
| 500 | E | 98.6 | Very high | 97.5 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.6 | -36.5 | 176.3 | -69.4 | -59.5 | 138.4 | 0 | 0 | 112.2 | R496 M497 Q502 K503 G504 V515 F717 N720 | R496-E500 WeakPolarHBondContact O-CG 3.37Å; R496-E500 PolarHBondContact O-N 2.92Å; M497-E500 PolarHBondContact O-N 3.4Å; E500-Q502 VanDerWaalsContact C-N 3.29Å; E500-Q502 PolarHBondContact O-N 2.95Å; E500-K503 PolarHBondContact O-N 3.23Å; E500-K503 IonicContact OE1-NZ 3.72Å; E500-K503 PolarHBondContact OE1-NZ 3.4Å; E500-G504 PolarHBondContact O-N 3.29Å; E500-V515 HydrophobicContact CB-CB 4.1Å; E500-V515 HydrophobicContact CB-CG2 3.77Å; E500-F717 HydrophobicContact CB-CD2 4.39Å; E500-F717 HydrophobicContact CG-CD2 3.96Å; E500-F717 HydrophobicContact CG-CE2 3.95Å; E500-N720 PolarHBondContact OE1-ND2 2.73Å |
| 501 | M | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.7 | -42.2 | 170.8 | -67.2 | 169.6 | 80 | 0 | 0 | 111.9 | M497 A499 G504 L505 M517 Y691 M712 A845 V846 K849 | M497-M501 HydrophobicContact CG-CG 4.46Å; M497-M501 HydrophobicContact CG-SD 4.24Å; M497-M501 VanDerWaalsContact O-CG 3.27Å; M497-M501 WeakPolarHBondContact O-CG 3.33Å; M497-M501 PolarHBondContact O-N 3.04Å; M497-M501 HydrophobicContact SD-CG 4.44Å; A499-M501 VanDerWaalsContact C-N 3.35Å; M501-G504 PolarHBondContact O-N 3.02Å; M501-L505 WeakPolarHBondContact O-CG 3.12Å; M501-L505 PolarHBondContact O-N 3.2Å; M501-L505 VanDerWaalsContact O-N 3.12Å; M501-M517 HydrophobicContact CB-CE 4.01Å; M501-M517 HydrophobicContact CB-SD 4.11Å; M501-M517 HydrophobicContact CE-CE 4.07Å; M501-M517 HydrophobicContact CG-CE 4.15Å; M501-M517 HydrophobicContact CG-SD 4Å; M501-Y691 HydrophobicContact CE-CD1 4.33Å; M501-Y691 HydrophobicContact CE-CE1 3.49Å; M501-Y691 VanDerWaalsContact CE-CE1 3.49Å; M501-M712 HydrophobicContact CE-CE 3.93Å; M501-M712 HydrophobicContact CE-SD 4.47Å; M501-M712 HydrophobicContact CG-CE 3.84Å; M501-M712 HydrophobicContact SD-CE 3.94Å; M501-A845 HydrophobicContact SD-CB 4.37Å; M501-V846 HydrophobicContact CE-CB 4.48Å; M501-V846 HydrophobicContact CE-CG2 3.91Å; M501-V846 HydrophobicContact SD-CG2 4.35Å; M501-K849 HydrophobicContact CE-CB 4.41Å; M501-K849 HydrophobicContact CE-CD 3.41Å; M501-K849 VanDerWaalsContact CE-CD 3.41Å; M501-K849 HydrophobicContact CE-CG 4.48Å; M501-K849 HydrophobicContact SD-CD 4.29Å |
| 502 | Q | 97.9 | Very high | 96.8 | Very high | 89 Ų | 89 | 53 Ų | 53 | 42% | 0.416 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 178.4 | -173.1 | 62 | 33.3 | 0 | 0 | 111.6 | R498 A499 E500 G504 L505 S506 | R498-Q502 PolarHBondContact O-N 3.42Å; A499-Q502 WeakPolarHBondContact O-CB 3.41Å; A499-Q502 PolarHBondContact O-N 2.98Å; E500-Q502 VanDerWaalsContact C-N 3.29Å; E500-Q502 PolarHBondContact O-N 2.95Å; Q502-G504 VanDerWaalsContact C-N 3.32Å; Q502-G504 PolarHBondContact O-N 3.43Å; Q502-L505 PolarHBondContact O-N 3.15Å; Q502-S506 PolarHBondContact O-N 3.06Å |
| 503 | K | 97.5 | Very high | 96.6 | Very high | 86 Ų | 86 | 49.7 Ų | 49.7 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 176.7 | -68.3 | 175.7 | -171.5 | 171.5 | 0 | 112 | A499 E500 L505 T509 Q510 A513 | A499-K503 WeakPolarHBondContact O-CG 3.37Å; A499-K503 PolarHBondContact O-N 3.14Å; E500-K503 PolarHBondContact O-N 3.23Å; E500-K503 IonicContact OE1-NZ 3.72Å; E500-K503 PolarHBondContact OE1-NZ 3.4Å; K503-L505 VanDerWaalsContact C-N 3.33Å; K503-T509 VanDerWaalsContact CA-OG1 3.27Å; K503-T509 WeakPolarHBondContact CA-OG1 3.44Å; K503-T509 CarbonylContact O-C 3.47Å; K503-T509 PolarHBondContact O-OG1 3.04Å; K503-Q510 PolarHBondContact O-N 2.83Å; K503-A513 HydrophobicContact CB-CB 4.05Å |
| 504 | G | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.1 | -26 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E500 M501 Q502 Q510 V515 | E500-G504 PolarHBondContact O-N 3.29Å; M501-G504 PolarHBondContact O-N 3.02Å; Q502-G504 VanDerWaalsContact C-N 3.32Å; Q502-G504 PolarHBondContact O-N 3.43Å; G504-Q510 PolarHBondContact O-NE2 2.79Å; G504-Q510 PolarHBondContact O-OE1 2.89Å; G504-V515 WeakPolarHBondContact CA-O 3.48Å |
| 505 | L | 97.5 | Very high | 96.5 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -82.4 | -27.4 | 177.3 | -74.3 | 170.3 | 0 | 0 | 0 | 113.3 | M501 Q502 K503 M517 E693 N697 V698 E699 I710 | M501-L505 WeakPolarHBondContact O-CG 3.12Å; M501-L505 PolarHBondContact O-N 3.2Å; M501-L505 VanDerWaalsContact O-N 3.12Å; Q502-L505 PolarHBondContact O-N 3.15Å; K503-L505 VanDerWaalsContact C-N 3.33Å; L505-M517 HydrophobicContact CD1-CE 4.05Å; L505-M517 HydrophobicContact CD2-CB 3.99Å; L505-M517 HydrophobicContact CD2-CE 4.21Å; L505-M517 HydrophobicContact CG-CB 4.07Å; L505-M517 HydrophobicContact CG-CE 3.98Å; L505-M517 HydrophobicContact CG-CG 4.21Å; L505-E693 HydrophobicContact CD1-CG 4.31Å; L505-E693 WeakPolarHBondContact CD1-OE2 3.41Å; L505-E693 HydrophobicContact CD2-CG 4.24Å; L505-N697 WeakPolarHBondContact CB-O 3.42Å; L505-V698 HydrophobicContact CD2-CG2 4.4Å; L505-E699 PolarHBondContact O-N 3.29Å; L505-I710 HydrophobicContact CD2-CD1 4.28Å; L505-I710 HydrophobicContact CD2-CG1 4.26Å |
| 506 | S | 96.7 | Very high | 96.3 | Very high | 14 Ų | 14 | 48.5 Ų | 48.5 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | trans | -82.7 | 133.2 | -178.3 | 179.7 | 0 | 0 | 0 | 0 | 112.9 | Q502 S508 T509 Q510 E699 | Q502-S506 PolarHBondContact O-N 3.06Å; S506-S508 PolarHBondContact O-N 3.15Å; S506-S508 PolarHBondContact OG-N 3.42Å; S506-S508 PolarHBondContact OG-OG 3.17Å; S506-T509 PolarHBondContact O-N 3.4Å; S506-T509 VanDerWaalsContact O-N 3.17Å; S506-Q510 VanDerWaalsContact O-CB 3.3Å; S506-Q510 WeakPolarHBondContact O-CB 3.2Å; S506-Q510 PolarHBondContact O-N 2.98Å; S506-E699 VanDerWaalsContact CA-OE2 3.22Å; S506-E699 WeakPolarHBondContact CA-OE2 3.33Å; S506-E699 WeakPolarHBondContact CB-OE2 2.89Å; S506-E699 PolarHBondContact OG-OE2 3.07Å | ||
| 507 | K | 94.1 | Very high | 96.3 | Very high | 137 Ų | 137 | 45.9 Ų | 45.9 | 60% | 0.596 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -28.3 | 177.8 | -172.8 | 173.7 | -173 | 168.8 | 0 | 112.8 | E699 M700 | K507-E699 HydrophobicContact CB-CB 3.82Å; K507-E699 PolarHBondContact N-OE2 2.65Å; K507-M700 HydrophobicContact CB-SD 4.03Å; K507-M700 HydrophobicContact CG-SD 4.06Å |
| 508 | S | 95.3 | Very high | 96.2 | Very high | 106 Ų | 106 | 46.3 Ų | 46.3 | 74% | 0.741 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -21.9 | -179.5 | 67.4 | 0 | 0 | 0 | 0 | 114 | S506 | S506-S508 PolarHBondContact O-N 3.15Å; S506-S508 PolarHBondContact OG-N 3.42Å; S506-S508 PolarHBondContact OG-OG 3.17Å |
| 509 | T | 96 | Very high | 96.1 | Very high | 44 Ų | 44 | 44.5 Ų | 44.5 | 27% | 0.27 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | -9.8 | -173.3 | 51.4 | 0 | 0 | 0 | 0 | 114.5 | K503 S506 D511 V512 A513 | K503-T509 VanDerWaalsContact CA-OG1 3.27Å; K503-T509 WeakPolarHBondContact CA-OG1 3.44Å; K503-T509 CarbonylContact O-C 3.47Å; K503-T509 PolarHBondContact O-OG1 3.04Å; S506-T509 PolarHBondContact O-N 3.4Å; S506-T509 VanDerWaalsContact O-N 3.17Å; T509-D511 VanDerWaalsContact C-N 3.28Å; T509-D511 PolarHBondContact O-N 2.82Å; T509-V512 VanDerWaalsContact O-CG2 3.24Å; T509-V512 WeakPolarHBondContact O-CG2 3.5Å; T509-V512 PolarHBondContact O-N 3.13Å; T509-V512 VanDerWaalsContact O-N 3.16Å; T509-A513 PolarHBondContact O-N 3.31Å; T509-A513 VanDerWaalsContact O-N 3.09Å |
| 510 | Q | 91.6 | Very high | 96 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 7% | 0.065 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -38.3 | -173.6 | 176.2 | 66.5 | -50.3 | 0 | 0 | 114 | K503 G504 S506 V512 A513 K516 M700 | K503-Q510 PolarHBondContact O-N 2.83Å; G504-Q510 PolarHBondContact O-NE2 2.79Å; G504-Q510 PolarHBondContact O-OE1 2.89Å; S506-Q510 VanDerWaalsContact O-CB 3.3Å; S506-Q510 WeakPolarHBondContact O-CB 3.2Å; S506-Q510 PolarHBondContact O-N 2.98Å; Q510-V512 PolarHBondContact O-N 2.62Å; Q510-A513 PolarHBondContact O-N 3.26Å; Q510-K516 PolarHBondContact NE2-O 3.49Å; Q510-K516 PolarHBondContact O-NZ 3.36Å; Q510-K516 PolarHBondContact OE1-O 3.42Å; Q510-M700 HydrophobicContact CB-SD 3.98Å; Q510-M700 HydrophobicContact CG-CE 4.04Å; Q510-M700 HydrophobicContact CG-CG 4.24Å; Q510-M700 HydrophobicContact CG-SD 3.91Å |
| 511 | D | 89.4 | Confident | 95.8 | Very high | 145 Ų | 145 | 44.9 Ų | 44.9 | 78% | 0.775 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -35.1 | -177.8 | -69.7 | -24.2 | 0 | 0 | 0 | 112.4 | T509 K516 | T509-D511 VanDerWaalsContact C-N 3.28Å; T509-D511 PolarHBondContact O-N 2.82Å; D511-K516 PolarHBondContact O-NZ 2.75Å |
| 512 | V | 92.8 | Very high | 95.5 | Very high | 124 Ų | 124 | 45.4 Ų | 45.4 | 75% | 0.752 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99 | -8 | -179.9 | -61.4 | 0 | 0 | 0 | 0 | 113.7 | T509 Q510 | T509-V512 VanDerWaalsContact O-CG2 3.24Å; T509-V512 WeakPolarHBondContact O-CG2 3.5Å; T509-V512 PolarHBondContact O-N 3.13Å; T509-V512 VanDerWaalsContact O-N 3.16Å; Q510-V512 PolarHBondContact O-N 2.62Å |
| 513 | A | 95.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 2% | 0.017 | 24% | 0.244 | C | C | . | . | trans | -66.8 | 138.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | K503 T509 Q510 K516 | K503-A513 HydrophobicContact CB-CB 4.05Å; T509-A513 PolarHBondContact O-N 3.31Å; T509-A513 VanDerWaalsContact O-N 3.09Å; Q510-A513 PolarHBondContact O-N 3.26Å; A513-K516 WeakPolarHBondContact O-CD 3.46Å; A513-K516 WeakPolarHBondContact O-CE 3.24Å; A513-K516 PolarHBondContact O-NZ 3.33Å | ||
| 514 | V | 96.3 | Very high | 94.8 | Very high | 24 Ų | 24 | 45.7 Ų | 45.7 | 15% | 0.145 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -88 | -36.3 | 176 | -65.6 | 0 | 0 | 0 | 0 | 111.9 | K516 A716 D719 N720 | V514-K516 PolarHBondContact O-N 3.09Å; V514-A716 WeakPolarHBondContact CB-O 3.41Å; V514-A716 WeakPolarHBondContact O-CB 3.4Å; V514-D719 HydrophobicContact CB-CB 4.29Å; V514-D719 HydrophobicContact CG1-CB 4.03Å; V514-N720 HydrophobicContact CG1-CB 3.78Å; V514-N720 HydrophobicContact CG2-CB 4.5Å |
| 515 | V | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -84.1 | 107.7 | 168.2 | -177.3 | 0 | 0 | 0 | 0 | 107.6 | M497 E500 G504 M517 M712 F717 | M497-V515 HydrophobicContact SD-CG2 4.37Å; E500-V515 HydrophobicContact CB-CB 4.1Å; E500-V515 HydrophobicContact CB-CG2 3.77Å; G504-V515 WeakPolarHBondContact CA-O 3.48Å; V515-M517 HydrophobicContact CG1-CG 4.14Å; V515-M517 HydrophobicContact CG1-SD 3.65Å; V515-M712 HydrophobicContact CG1-CB 4.33Å; V515-M712 WeakPolarHBondContact CG1-O 3.39Å; V515-F717 HydrophobicContact CG2-CB 3.81Å; V515-F717 HydrophobicContact CG2-CD2 4.28Å; V515-F717 HydrophobicContact CG2-CG 4.39Å |
| 516 | K | 95.7 | Very high | 94.1 | Very high | 65 Ų | 65 | 47.4 Ų | 47.4 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | trans | -80.1 | -19.5 | -164.6 | -68.2 | -57.9 | -170.9 | -173.6 | 0 | 115 | Q510 D511 A513 V514 L518 M712 | Q510-K516 PolarHBondContact NE2-O 3.49Å; Q510-K516 PolarHBondContact O-NZ 3.36Å; Q510-K516 PolarHBondContact OE1-O 3.42Å; D511-K516 PolarHBondContact O-NZ 2.75Å; A513-K516 WeakPolarHBondContact O-CD 3.46Å; A513-K516 WeakPolarHBondContact O-CE 3.24Å; A513-K516 PolarHBondContact O-NZ 3.33Å; V514-K516 PolarHBondContact O-N 3.09Å; K516-L518 VanDerWaalsContact C-N 3.3Å; K516-L518 HydrophobicContact CB-CD1 4.33Å; K516-L518 HydrophobicContact CB-CD2 3.8Å; K516-L518 HydrophobicContact CB-CG 3.78Å; K516-L518 PolarHBondContact O-N 3.49Å; K516-M712 PolarHBondContact N-O 3.47Å | ||
| 517 | M | 97.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | trans | 48.6 | 51.2 | 175.3 | -54.1 | -59.9 | -69.1 | 0 | 0 | 112.9 | M501 L505 V515 Y691 I710 N711 M712 | M501-M517 HydrophobicContact CB-CE 4.01Å; M501-M517 HydrophobicContact CB-SD 4.11Å; M501-M517 HydrophobicContact CE-CE 4.07Å; M501-M517 HydrophobicContact CG-CE 4.15Å; M501-M517 HydrophobicContact CG-SD 4Å; L505-M517 HydrophobicContact CD1-CE 4.05Å; L505-M517 HydrophobicContact CD2-CB 3.99Å; L505-M517 HydrophobicContact CD2-CE 4.21Å; L505-M517 HydrophobicContact CG-CB 4.07Å; L505-M517 HydrophobicContact CG-CE 3.98Å; L505-M517 HydrophobicContact CG-CG 4.21Å; V515-M517 HydrophobicContact CG1-CG 4.14Å; V515-M517 HydrophobicContact CG1-SD 3.65Å; M517-Y691 HydrophobicContact CE-CE1 3.51Å; M517-Y691 WeakPolarHBondContact CE-OH 3.27Å; M517-I710 VanDerWaalsContact CA-CG2 3.46Å; M517-I710 HydrophobicContact CB-CG2 3.8Å; M517-I710 HydrophobicContact CE-CG2 3.71Å; M517-I710 HydrophobicContact SD-CG2 4.27Å; M517-N711 CarbonylContact C-O 3.49Å; M517-M712 HydrophobicContact CE-CG 4.28Å; M517-M712 PolarHBondContact N-O 3.09Å; M517-M712 VanDerWaalsContact N-O 3.17Å; M517-M712 HydrophobicContact SD-CB 4.04Å; M517-M712 HydrophobicContact SD-CE 4.45Å; M517-M712 HydrophobicContact SD-CG 3.88Å | ||
| 518 | L | 97 | Very high | 93.2 | Very high | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 127 | -171.6 | -61.3 | 173 | 0 | 0 | 0 | 111.6 | K516 S520 P610 L622 N711 E713 | K516-L518 VanDerWaalsContact C-N 3.3Å; K516-L518 HydrophobicContact CB-CD1 4.33Å; K516-L518 HydrophobicContact CB-CD2 3.8Å; K516-L518 HydrophobicContact CB-CG 3.78Å; K516-L518 PolarHBondContact O-N 3.49Å; L518-S520 PolarHBondContact O-N 3.29Å; L518-P610 HydrophobicContact CD1-CB 4.47Å; L518-L622 HydrophobicContact CD1-CD1 4.15Å; L518-L622 HydrophobicContact CD2-CD1 4.16Å; L518-N711 HydrophobicContact CB-CB 4.36Å; L518-N711 PolarHBondContact N-O 2.92Å; L518-N711 PolarHBondContact O-N 3.31Å; L518-E713 HydrophobicContact CD1-CG 3.68Å; L518-E713 HydrophobicContact CG-CG 4.49Å |
| 519 | P | 96.9 | Very high | 92.9 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 125.2 | 174.3 | -19.5 | 31.6 | 0 | 0 | 0 | 111.9 | Y521 V698 M700 V701 M708 | P519-Y521 HydrophobicContact CB-CE2 4.34Å; P519-V698 HydrophobicContact CG-CG1 4.18Å; P519-M700 HydrophobicContact CG-CB 4.42Å; P519-V701 HydrophobicContact CB-CG2 3.69Å; P519-V701 HydrophobicContact CG-CG2 3.67Å; P519-M708 HydrophobicContact CB-SD 3.53Å; P519-M708 VanDerWaalsContact CB-SD 3.53Å |
| 520 | S | 95.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | trans | -88.6 | -9.5 | 179.4 | 69.3 | 0 | 0 | 0 | 0 | 114.8 | L518 V522 C709 | L518-S520 PolarHBondContact O-N 3.29Å; S520-V522 PolarHBondContact O-N 3.41Å; S520-V522 VanDerWaalsContact O-N 3.09Å; S520-V522 PolarHBondContact OG-N 3.5Å; S520-C709 VanDerWaalsContact CB-O 3.3Å; S520-C709 WeakPolarHBondContact CB-O 3.48Å; S520-C709 PolarHBondContact N-O 3.02Å; S520-C709 VanDerWaalsContact N-O 3.08Å; S520-C709 WeakPolarHBondContact OG-CB 3.4Å; S520-C709 PolarHBondContact OG-O 2.96Å | ||
| 521 | Y | 94.1 | Very high | 92.5 | Very high | 61 Ų | 61 | 45.5 Ų | 45.5 | 24% | 0.239 | 24% | 0.243 | C | C | . | . | trans | 61.9 | 4.8 | -169.7 | -66.8 | -101.5 | 0 | 0 | 0 | 115.6 | P519 R523 Q613 T614 | P519-Y521 HydrophobicContact CB-CE2 4.34Å; Y521-R523 PolarHBondContact O-N 3.45Å; Y521-Q613 HydrophobicContact CD2-CB 3.78Å; Y521-Q613 HydrophobicContact CE2-CB 3.83Å; Y521-Q613 WeakPolarHBondContact CE2-O 3.47Å; Y521-T614 VanDerWaalsContact CZ-C 3.43Å; Y521-T614 PolarHBondContact OH-O 3.48Å | ||
| 522 | V | 93.8 | Very high | 92.6 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | trans | -81.2 | 111.6 | 168.8 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | S520 L616 V664 M668 M708 C709 I909 | S520-V522 PolarHBondContact O-N 3.41Å; S520-V522 VanDerWaalsContact O-N 3.09Å; S520-V522 PolarHBondContact OG-N 3.5Å; V522-L616 HydrophobicContact CG2-CD1 3.99Å; V522-V664 HydrophobicContact CB-CG1 4.43Å; V522-V664 HydrophobicContact CG2-CG1 4.01Å; V522-M668 HydrophobicContact CG1-CE 3.97Å; V522-M668 HydrophobicContact CG1-SD 4.04Å; V522-M708 CarbonylContact O-C 3.58Å; V522-M708 WeakPolarHBondContact O-CA 3.46Å; V522-C709 HydrophobicContact CB-CB 4.18Å; V522-C709 PolarHBondContact O-N 3.3Å; V522-I909 HydrophobicContact CG1-CG1 4.41Å; V522-I909 HydrophobicContact CG2-CD1 4.11Å; V522-I909 HydrophobicContact CG2-CG1 4.12Å; V522-I909 HydrophobicContact CG2-CG2 3.89Å | ||
| 523 | R | 92.1 | Very high | 92.7 | Very high | 140 Ų | 140 | 35.6 Ų | 35.6 | 53% | 0.528 | 19% | 0.19 | S | C | . | . | trans | -98.5 | -12.3 | -171.2 | -67.7 | -175.5 | 175 | -165.2 | -5 | 115.4 | Y521 R707 M708 | Y521-R523 PolarHBondContact O-N 3.45Å; R523-R707 VanDerWaalsContact CA-O 3.27Å; R523-R707 WeakPolarHBondContact CA-O 3.03Å; R523-R707 WeakPolarHBondContact CB-O 3.46Å; R523-M708 HydrophobicContact CG-CE 4.19Å | ||
| 524 | S | 87.9 | Confident | 92.6 | Very high | 42 Ų | 42 | 35.9 Ų | 35.9 | 29% | 0.294 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -149.7 | 153.6 | 177.8 | 60 | 0 | 0 | 0 | 0 | 110.7 | M668 | S524-M668 WeakPolarHBondContact O-CE 3.45Š|
| 525 | T | 90.6 | Very high | 92.6 | Very high | 24 Ų | 24 | 34.8 Ų | 34.8 | 15% | 0.147 | 18% | 0.184 | C | C | . | . | trans | -71.6 | 167 | 164.5 | 47.6 | 0 | 0 | 0 | 0 | 110.6 | M668 A671 | T525-M668 HydrophobicContact CG2-SD 4.33Å; T525-A671 HydrophobicContact CG2-CB 3.77Å | ||
| 526 | P | 88.8 | Confident | 92.5 | Very high | 15 Ų | 15 | 34.8 Ų | 34.8 | 10% | 0.097 | 18% | 0.184 | C | C | . | . | trans | -59.9 | 141.6 | 177.1 | -21.3 | 34.5 | 0 | 0 | 0 | 111.7 | E530 M668 Y672 L908 | P526-E530 WeakPolarHBondContact CA-OE1 3.43Å; P526-E530 WeakPolarHBondContact CB-OE1 3.33Å; P526-M668 HydrophobicContact CG-CE 3.82Å; P526-M668 HydrophobicContact CG-SD 4.5Å; P526-Y672 HydrophobicContact CB-CD2 3.91Å; P526-Y672 HydrophobicContact CG-CD2 4.47Å; P526-L908 HydrophobicContact CB-CD2 4.33Å; P526-L908 HydrophobicContact CG-CB 4.33Å; P526-L908 HydrophobicContact CG-CD1 4.13Å; P526-L908 HydrophobicContact CG-CD2 4.37Å | ||
| 527 | D | 87 | Confident | 92.5 | Very high | 87 Ų | 87 | 31.7 Ų | 31.7 | 47% | 0.465 | 17% | 0.171 | S | C | . | . | trans | -110.1 | -4.4 | -179 | 60.9 | 35.8 | 0 | 0 | 0 | 113.4 | T529 E530 R915 | D527-T529 VanDerWaalsContact OD1-CB 3.3Å; D527-T529 WeakPolarHBondContact OD1-CB 3.44Å; D527-T529 WeakPolarHBondContact OD1-CG2 3.35Å; D527-T529 PolarHBondContact OD1-N 2.8Å; D527-T529 PolarHBondContact OD1-OG1 3.46Å; D527-E530 PolarHBondContact N-OE1 3.22Å; D527-R915 VanDerWaalsContact CG-NH1 3.31Å; D527-R915 IonicContact OD1-NH1 3.04Å; D527-R915 PolarHBondContact OD1-NH1 3.25Å; D527-R915 VanDerWaalsContact OD1-NH1 3.09Å; D527-R915 IonicContact OD2-CZ 3.3Å; D527-R915 VanDerWaalsContact OD2-CZ 3.31Å; D527-R915 IonicContact OD2-NH1 3.53Å; D527-R915 PolarHBondContact OD2-NH1 3.19Å; D527-R915 IonicContact OD2-NH2 3.28Å; D527-R915 PolarHBondContact OD2-NH2 2.81Å | ||
| 528 | G | 85.6 | Confident | 92.2 | Very high | 14 Ų | 14 | 32.3 Ų | 32.3 | 14% | 0.144 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 91.6 | -3.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E530 S553 | G528-E530 VanDerWaalsContact C-N 3.32Å; G528-E530 WeakPolarHBondContact CA-OE2 3.46Å; G528-E530 PolarHBondContact N-OE2 3.49Å; G528-S553 WeakPolarHBondContact O-CB 3.35Å |
| 529 | T | 87.9 | Confident | 91.9 | Very high | 82 Ų | 82 | 31.9 Ų | 31.9 | 50% | 0.503 | 17% | 0.172 | S | C | . | . | trans | -86.2 | -4.8 | 174.7 | 67.5 | 0 | 0 | 0 | 0 | 113 | D527 N531 R915 | D527-T529 VanDerWaalsContact OD1-CB 3.3Å; D527-T529 WeakPolarHBondContact OD1-CB 3.44Å; D527-T529 WeakPolarHBondContact OD1-CG2 3.35Å; D527-T529 PolarHBondContact OD1-N 2.8Å; D527-T529 PolarHBondContact OD1-OG1 3.46Å; T529-N531 PolarHBondContact O-N 3.23Å; T529-R915 PolarHBondContact OG1-NH1 2.94Å | ||
| 530 | E | 89.3 | Confident | 90.9 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.019 | 17% | 0.174 | C | C | . | . | trans | -60.4 | 130.8 | 179.1 | -56.8 | 79.2 | -168.3 | 0 | 0 | 111.1 | P526 D527 G528 I551 S553 L908 A911 V912 | P526-E530 WeakPolarHBondContact CA-OE1 3.43Å; P526-E530 WeakPolarHBondContact CB-OE1 3.33Å; D527-E530 PolarHBondContact N-OE1 3.22Å; G528-E530 VanDerWaalsContact C-N 3.32Å; G528-E530 WeakPolarHBondContact CA-OE2 3.46Å; G528-E530 PolarHBondContact N-OE2 3.49Å; E530-I551 HydrophobicContact CB-CG2 4.13Å; E530-I551 VanDerWaalsContact O-CG2 3.3Å; E530-I551 WeakPolarHBondContact O-CG2 3.35Å; E530-S553 WeakPolarHBondContact O-CB 3.43Å; E530-S553 PolarHBondContact O-N 3.05Å; E530-L908 HydrophobicContact CB-CD2 4.21Å; E530-L908 HydrophobicContact CG-CD2 4.09Å; E530-A911 HydrophobicContact CB-CB 3.81Å; E530-A911 HydrophobicContact CG-CB 4.03Å; E530-V912 HydrophobicContact CG-CG2 3.98Å | ||
| 531 | N | 90.8 | Very high | 89.8 | Confident | 87 Ų | 87 | 32.7 Ų | 32.7 | 47% | 0.465 | 18% | 0.183 | S | C | . | . | trans | -154.1 | 134.6 | -179.7 | 179 | 88.8 | 0 | 0 | 0 | 110.6 | T529 I551 R552 | T529-N531 PolarHBondContact O-N 3.23Å; N531-I551 WeakPolarHBondContact CA-O 3.42Å; N531-I551 PolarHBondContact OD1-O 2.78Å; N531-R552 WeakPolarHBondContact OD1-CA 3.48Å | ||
| 532 | G | 92.3 | Very high | 88.5 | Confident | 16 Ų | 16 | 33.9 Ų | 33.9 | 17% | 0.165 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.7 | -179 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | F534 I551 R552 | G532-F534 WeakPolarHBondContact O-CE2 3.49Å; G532-I551 PolarHBondContact N-O 2.86Å; G532-I551 PolarHBondContact O-N 3.15Å; G532-R552 PolarHBondContact O-NH1 3.46Å; G532-R552 VanDerWaalsContact O-NH1 3.09Å |
| 533 | D | 93.7 | Very high | 88 | Confident | 46 Ų | 46 | 38.3 Ų | 38.3 | 25% | 0.246 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 124.6 | 174.2 | -66.1 | -3.4 | 0 | 0 | 0 | 107.9 | K550 R552 L601 | D533-K550 HydrophobicContact CB-CG 4.48Å; D533-K550 WeakPolarHBondContact OD1-CB 3.41Å; D533-K550 WeakPolarHBondContact OD1-CG 3.36Å; D533-R552 IonicContact OD1-CZ 3.42Å; D533-R552 IonicContact OD1-NH1 3.67Å; D533-R552 PolarHBondContact OD1-NH1 2.89Å; D533-R552 IonicContact OD1-NH2 3.26Å; D533-R552 PolarHBondContact OD1-NH2 3.31Å; D533-R552 IonicContact OD2-NH2 2.72Å; D533-L601 HydrophobicContact CB-CD2 4.38Å |
| 534 | F | 95 | Very high | 87.9 | Confident | 7 Ų | 7 | 31.6 Ų | 31.6 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 143 | -170.2 | -55.2 | -76.6 | 0 | 0 | 0 | 110.6 | G532 V549 I551 P602 A907 T910 A911 | G532-F534 WeakPolarHBondContact O-CE2 3.49Å; F534-V549 PolarHBondContact N-O 3.29Å; F534-V549 PolarHBondContact O-N 2.99Å; F534-I551 HydrophobicContact CD2-CD1 3.91Å; F534-I551 HydrophobicContact CD2-CG1 4.22Å; F534-I551 HydrophobicContact CE2-CB 4.44Å; F534-I551 HydrophobicContact CE2-CD1 3.99Å; F534-I551 HydrophobicContact CE2-CG1 4.34Å; F534-P602 HydrophobicContact CD1-CB 4.04Å; F534-P602 HydrophobicContact CD1-CG 4.1Å; F534-P602 HydrophobicContact CE1-CB 4.43Å; F534-P602 HydrophobicContact CE1-CG 4.23Å; F534-A907 HydrophobicContact CB-CB 3.96Å; F534-T910 HydrophobicContact CD1-CG2 3.56Å; F534-T910 HydrophobicContact CE1-CG2 4.16Å; F534-T910 HydrophobicContact CG-CG2 4.36Å; F534-A911 HydrophobicContact CD2-CB 4.4Å; F534-A911 HydrophobicContact CE1-CB 4.04Å; F534-A911 HydrophobicContact CE2-CB 3.58Å; F534-A911 HydrophobicContact CZ-CB 3.36Å |
| 535 | L | 95.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 144.7 | 163.6 | -70.9 | 170.4 | 0 | 0 | 0 | 109.8 | L547 L548 F590 L591 L601 P602 L603 G604 L654 | L535-L547 CarbonylContact C-O 3.5Å; L535-L547 VanDerWaalsContact CA-O 3.28Å; L535-L547 WeakPolarHBondContact CA-O 3.47Å; L535-L547 WeakPolarHBondContact CD2-O 3.34Å; L535-L548 HydrophobicContact CD2-CB 4.47Å; L535-L548 HydrophobicContact CD2-CD1 4.24Å; L535-F590 HydrophobicContact CD2-CD1 4.28Å; L535-F590 HydrophobicContact CD2-CE1 4.05Å; L535-L591 HydrophobicContact CD1-CD2 3.96Å; L535-L591 HydrophobicContact CD2-CD2 4.26Å; L535-L601 HydrophobicContact CD1-CB 3.94Å; L535-L601 HydrophobicContact CD1-CD1 4.05Å; L535-L601 HydrophobicContact CD2-CD1 4.23Å; L535-L601 HydrophobicContact CG-CB 4.04Å; L535-L601 HydrophobicContact CG-CD1 3.83Å; L535-P602 PolarHBondContact N-O 3.5Å; L535-L603 HydrophobicContact CB-CB 4.2Å; L535-L603 HydrophobicContact CB-CD1 4.09Å; L535-L603 HydrophobicContact CB-CG 4.16Å; L535-L603 HydrophobicContact CD1-CD1 4.46Å; L535-L603 WeakPolarHBondContact O-CA 3.41Å; L535-G604 PolarHBondContact O-N 3.5Å; L535-L654 HydrophobicContact CD1-CD1 4.1Å; L535-L654 HydrophobicContact CD1-CD2 3.4Å; L535-L654 VanDerWaalsContact CD1-CD2 3.4Å; L535-L654 HydrophobicContact CD1-CG 4.43Å |
| 536 | A | 95.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 139.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L547 G604 G903 A906 | A536-L547 HydrophobicContact CB-CB 4.25Å; A536-L547 HydrophobicContact CB-CD1 4.25Å; A536-L547 PolarHBondContact N-O 3.01Å; A536-L547 WeakPolarHBondContact O-CD1 3.34Å; A536-L547 PolarHBondContact O-N 3.14Å; A536-G604 CarbonylContact C-O 3.34Å; A536-G604 VanDerWaalsContact CA-O 3.22Å; A536-G604 WeakPolarHBondContact CA-O 3.43Å; A536-G903 WeakPolarHBondContact CB-O 3.47Å; A536-A906 HydrophobicContact CB-CB 4.03Å |
| 537 | L | 95 | Very high | 88.6 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 140.3 | 170.3 | -52.5 | -176.9 | 0 | 0 | 0 | 108.3 | F544 R545 V546 I583 I587 L603 G604 F605 T606 L642 | L537-F544 HydrophobicContact CB-CE2 3.98Å; L537-F544 HydrophobicContact CB-CZ 4.19Å; L537-F544 HydrophobicContact CD1-CZ 4.46Å; L537-F544 HydrophobicContact CD2-CZ 4.02Å; L537-F544 HydrophobicContact CG-CZ 4.44Å; L537-R545 WeakPolarHBondContact CA-O 3.45Å; L537-V546 HydrophobicContact CD2-CB 4.41Å; L537-V546 HydrophobicContact CD2-CG1 3.89Å; L537-V546 HydrophobicContact CD2-CG2 4.14Å; L537-I583 HydrophobicContact CD1-CG2 4.31Å; L537-I587 HydrophobicContact CD1-CD1 3.69Å; L537-I587 HydrophobicContact CD2-CD1 3.75Å; L537-I587 HydrophobicContact CD2-CG1 3.7Å; L537-I587 HydrophobicContact CG-CD1 4.35Å; L537-L603 HydrophobicContact CD1-CD1 3.93Å; L537-L603 HydrophobicContact CD1-CD2 3.94Å; L537-L603 HydrophobicContact CD1-CG 4.46Å; L537-L603 HydrophobicContact CD2-CD1 4Å; L537-L603 HydrophobicContact CG-CD1 3.8Å; L537-L603 HydrophobicContact CG-CD2 3.99Å; L537-L603 HydrophobicContact CG-CG 4.16Å; L537-G604 PolarHBondContact N-O 3.01Å; L537-F605 HydrophobicContact CB-CD2 3.66Å; L537-F605 HydrophobicContact CB-CE2 4.1Å; L537-F605 HydrophobicContact CB-CG 4.36Å; L537-F605 HydrophobicContact CD1-CD2 4.06Å; L537-F605 HydrophobicContact CD1-CE2 4.3Å; L537-F605 HydrophobicContact CD1-CG 4.18Å; L537-F605 HydrophobicContact CG-CD2 4.43Å; L537-T606 VanDerWaalsContact O-CA 3.32Å; L537-T606 WeakPolarHBondContact O-CA 3.49Å; L537-T606 WeakPolarHBondContact O-CB 3.35Å; L537-T606 PolarHBondContact O-N 3.28Å; L537-L642 HydrophobicContact CD1-CD2 3.95Å |
| 538 | D | 92.8 | Very high | 89 | Confident | 16 Ų | 16 | 26.1 Ų | 26.1 | 9% | 0.086 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 103 | 176.4 | -179.6 | 37.6 | 0 | 0 | 0 | 110.5 | F544 R545 L547 T606 S902 | D538-F544 VanDerWaalsContact O-CD2 3.27Å; D538-F544 WeakPolarHBondContact O-CD2 3.41Å; D538-R545 HydrophobicContact CB-CB 4.2Å; D538-R545 PolarHBondContact N-O 3.14Å; D538-R545 PolarHBondContact O-N 2.78Å; D538-R545 IonicContact OD2-CZ 2.64Å; D538-R545 IonicContact OD2-NE 3.5Å; D538-R545 PolarHBondContact OD2-NE 2.93Å; D538-R545 IonicContact OD2-NH2 3.58Å; D538-R545 PolarHBondContact OD2-NH2 3.2Å; D538-L547 HydrophobicContact CB-CD1 4.23Å; D538-T606 WeakPolarHBondContact OD1-CG2 3.21Å; D538-S902 PolarHBondContact OD1-OG 3.47Å; D538-S902 PolarHBondContact OD2-OG 3.21Å |
| 539 | L | 90.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 109.1 | -178.4 | -176.3 | 65.4 | 0 | 0 | 0 | 110.4 | F544 I567 I583 F605 T606 F607 S608 F609 F628 | L539-F544 HydrophobicContact CB-CD2 3.89Å; L539-F544 HydrophobicContact CB-CE2 4.14Å; L539-F544 HydrophobicContact CD1-CB 4.3Å; L539-F544 HydrophobicContact CD1-CD2 3.88Å; L539-F544 HydrophobicContact CD1-CG 4.39Å; L539-F544 HydrophobicContact CG-CD2 4.46Å; L539-I567 HydrophobicContact CD1-CD1 3.26Å; L539-I583 HydrophobicContact CD2-CD1 3.69Å; L539-F605 HydrophobicContact CB-CE2 3.93Å; L539-F605 HydrophobicContact CD2-CE2 4.35Å; L539-F605 HydrophobicContact CD2-CZ 4.22Å; L539-T606 PolarHBondContact N-O 3.45Å; L539-F607 HydrophobicContact CD2-CD2 3.87Å; L539-F607 HydrophobicContact CD2-CE2 3.84Å; L539-F607 HydrophobicContact CG-CD2 4.48Å; L539-S608 PolarHBondContact O-N 3.07Å; L539-S608 PolarHBondContact O-OG 2.95Å; L539-F609 HydrophobicContact CG-CE2 4.49Å; L539-F628 HydrophobicContact CD1-CE1 4.29Å; L539-F628 HydrophobicContact CD1-CZ 3.98Å |
| 540 | G | 75.5 | Confident | 89.7 | Confident | 13 Ų | 13 | 24 Ų | 24 | 13% | 0.134 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -156.6 | -12 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | K626 | G540-K626 PolarHBondContact O-NZ 2.84Š|
| 541 | G | 72.4 | Confident | 89.8 | Confident | 21 Ų | 21 | 23.8 Ų | 23.8 | 22% | 0.216 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -144.7 | -157.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | N543 | G541-N543 VanDerWaalsContact C-N 3.3Å; G541-N543 PolarHBondContact O-N 3.16Å |
| 542 | T | 67.5 | Low | 89.8 | Confident | 87 Ų | 87 | 24.2 Ų | 24.2 | 53% | 0.534 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -71.1 | -23.3 | 178.4 | 31.7 | 0 | 0 | 0 | 0 | 114.1 | I567 M572 | T542-I567 PolarHBondContact O-N 2.86Å; T542-M572 HydrophobicContact CG2-CE 4.44Å; T542-M572 HydrophobicContact CG2-SD 3.82Å |
| 543 | N | 81.8 | Confident | 89.1 | Confident | 102 Ų | 102 | 25.9 Ų | 25.9 | 55% | 0.545 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 106.1 | 176 | -65.9 | -36.5 | 0 | 0 | 0 | 109.3 | G541 I564 | G541-N543 VanDerWaalsContact C-N 3.3Å; G541-N543 PolarHBondContact O-N 3.16Å; N543-I564 HydrophobicContact CB-CG2 3.92Å |
| 544 | F | 90.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 138.4 | 170.5 | 174.1 | -122.7 | 0 | 0 | 0 | 109.6 | L537 D538 L539 V546 I564 Y565 I567 I583 C586 | L537-F544 HydrophobicContact CB-CE2 3.98Å; L537-F544 HydrophobicContact CB-CZ 4.19Å; L537-F544 HydrophobicContact CD1-CZ 4.46Å; L537-F544 HydrophobicContact CD2-CZ 4.02Å; L537-F544 HydrophobicContact CG-CZ 4.44Å; D538-F544 VanDerWaalsContact O-CD2 3.27Å; D538-F544 WeakPolarHBondContact O-CD2 3.41Å; L539-F544 HydrophobicContact CB-CD2 3.89Å; L539-F544 HydrophobicContact CB-CE2 4.14Å; L539-F544 HydrophobicContact CD1-CB 4.3Å; L539-F544 HydrophobicContact CD1-CD2 3.88Å; L539-F544 HydrophobicContact CD1-CG 4.39Å; L539-F544 HydrophobicContact CG-CD2 4.46Å; F544-V546 HydrophobicContact CD1-CG2 4.35Å; F544-V546 HydrophobicContact CE1-CG2 3.55Å; F544-V546 HydrophobicContact CZ-CG2 3.87Å; F544-I564 CarbonylContact O-C 3.55Å; F544-I564 WeakPolarHBondContact O-CA 3.09Å; F544-Y565 HydrophobicContact CD1-CD2 4.38Å; F544-Y565 PolarHBondContact N-O 3.23Å; F544-Y565 PolarHBondContact O-N 3.24Å; F544-I567 HydrophobicContact CB-CD1 3.77Å; F544-I567 HydrophobicContact CB-CG1 3.87Å; F544-I567 HydrophobicContact CG-CD1 4.35Å; F544-I583 HydrophobicContact CE1-CB 4.43Å; F544-I583 HydrophobicContact CE1-CG1 4.36Å; F544-I583 HydrophobicContact CE1-CG2 4.09Å; F544-I583 HydrophobicContact CE2-CG2 4.44Å; F544-I583 HydrophobicContact CZ-CB 4.42Å; F544-I583 HydrophobicContact CZ-CG1 4.33Å; F544-I583 HydrophobicContact CZ-CG2 3.69Å; F544-C586 HydrophobicContact CD1-CB 4.07Å; F544-C586 HydrophobicContact CE1-CB 3.8Å |
| 545 | R | 92.6 | Very high | 86.4 | Confident | 51 Ų | 51 | 36.3 Ų | 36.3 | 19% | 0.192 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 137.2 | 177.5 | -54.2 | -174.6 | -75.5 | 173.3 | -5.1 | 110.9 | L537 D538 L547 K563 I564 | L537-R545 WeakPolarHBondContact CA-O 3.45Å; D538-R545 HydrophobicContact CB-CB 4.2Å; D538-R545 PolarHBondContact N-O 3.14Å; D538-R545 PolarHBondContact O-N 2.78Å; D538-R545 IonicContact OD2-CZ 2.64Å; D538-R545 IonicContact OD2-NE 3.5Å; D538-R545 PolarHBondContact OD2-NE 2.93Å; D538-R545 IonicContact OD2-NH2 3.58Å; D538-R545 PolarHBondContact OD2-NH2 3.2Å; R545-L547 HydrophobicContact CB-CD1 3.91Å; R545-K563 WeakPolarHBondContact CA-O 3.27Å; R545-I564 HydrophobicContact CG-CG1 3.94Å |
| 546 | V | 94.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 130.8 | 165.3 | -169.8 | 0 | 0 | 0 | 0 | 107.1 | L537 F544 N562 K563 Y565 C586 I587 F590 | L537-V546 HydrophobicContact CD2-CB 4.41Å; L537-V546 HydrophobicContact CD2-CG1 3.89Å; L537-V546 HydrophobicContact CD2-CG2 4.14Å; F544-V546 HydrophobicContact CD1-CG2 4.35Å; F544-V546 HydrophobicContact CE1-CG2 3.55Å; F544-V546 HydrophobicContact CZ-CG2 3.87Å; V546-N562 VanDerWaalsContact O-CA 3.25Å; V546-N562 WeakPolarHBondContact O-CA 3.11Å; V546-K563 PolarHBondContact N-O 3.26Å; V546-K563 VanDerWaalsContact N-O 3.12Å; V546-K563 PolarHBondContact O-N 2.65Å; V546-Y565 HydrophobicContact CB-CE2 4.14Å; V546-Y565 HydrophobicContact CG2-CD2 4.01Å; V546-Y565 HydrophobicContact CG2-CE2 3.76Å; V546-C586 HydrophobicContact CG2-CB 4.42Å; V546-I587 HydrophobicContact CG1-CG1 4.41Å; V546-I587 HydrophobicContact CG2-CG1 4.17Å; V546-F590 HydrophobicContact CB-CB 3.96Å; V546-F590 HydrophobicContact CB-CD1 4.01Å; V546-F590 HydrophobicContact CB-CD2 4.3Å; V546-F590 HydrophobicContact CB-CG 3.82Å; V546-F590 HydrophobicContact CG1-CB 3.81Å; V546-F590 HydrophobicContact CG1-CD1 3.32Å; V546-F590 HydrophobicContact CG1-CD2 4.48Å; V546-F590 HydrophobicContact CG1-CE1 3.96Å; V546-F590 HydrophobicContact CG1-CG 3.61Å; V546-F590 HydrophobicContact CG2-CB 4.49Å |
| 547 | L | 95.3 | Very high | 84.3 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 142.6 | -175.3 | -52.6 | 93 | 0 | 0 | 0 | 110.9 | L535 A536 D538 R545 V549 M560 H561 N562 | L535-L547 CarbonylContact C-O 3.5Å; L535-L547 VanDerWaalsContact CA-O 3.28Å; L535-L547 WeakPolarHBondContact CA-O 3.47Å; L535-L547 WeakPolarHBondContact CD2-O 3.34Å; A536-L547 HydrophobicContact CB-CB 4.25Å; A536-L547 HydrophobicContact CB-CD1 4.25Å; A536-L547 PolarHBondContact N-O 3.01Å; A536-L547 WeakPolarHBondContact O-CD1 3.34Å; A536-L547 PolarHBondContact O-N 3.14Å; D538-L547 HydrophobicContact CB-CD1 4.23Å; R545-L547 HydrophobicContact CB-CD1 3.91Å; L547-V549 HydrophobicContact CB-CG2 4.28Å; L547-M560 HydrophobicContact CD2-CE 3.58Å; L547-H561 CarbonylContact C-O 3.55Å; L547-H561 VanDerWaalsContact CA-O 3.23Å; L547-H561 WeakPolarHBondContact CA-O 3.37Å; L547-N562 HydrophobicContact CB-CB 4.27Å; L547-N562 HydrophobicContact CD2-CB 3.89Å; L547-N562 HydrophobicContact CG-CB 3.69Å |
| 548 | L | 95.3 | Very high | 83.9 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124 | 160.5 | 178.9 | 71.2 | 0 | 0 | 0 | 108.1 | L535 K550 M560 H561 F590 M594 M596 L601 | L535-L548 HydrophobicContact CD2-CB 4.47Å; L535-L548 HydrophobicContact CD2-CD1 4.24Å; L548-K550 HydrophobicContact CG-CG 4.45Å; L548-M560 WeakPolarHBondContact O-CA 3.3Å; L548-H561 HydrophobicContact CB-CB 4.42Å; L548-H561 PolarHBondContact N-O 3.29Å; L548-H561 PolarHBondContact O-N 3.48Å; L548-F590 HydrophobicContact CB-CE1 3.97Å; L548-F590 HydrophobicContact CB-CZ 4.11Å; L548-M594 HydrophobicContact CB-CE 4.32Å; L548-M594 HydrophobicContact CD2-CE 3.47Å; L548-M594 VanDerWaalsContact CD2-CE 3.47Å; L548-M596 HydrophobicContact CD1-SD 4.11Å; L548-M596 HydrophobicContact CD2-SD 3.6Å; L548-L601 HydrophobicContact CD1-CD1 3.97Å |
| 549 | V | 94.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 116.5 | -179.2 | -172.2 | 0 | 0 | 0 | 0 | 109.1 | F534 L547 I551 V558 E559 M560 A907 | F534-V549 PolarHBondContact N-O 3.29Å; F534-V549 PolarHBondContact O-N 2.99Å; L547-V549 HydrophobicContact CB-CG2 4.28Å; V549-I551 HydrophobicContact CG1-CD1 4.32Å; V549-I551 HydrophobicContact CG1-CG1 3.9Å; V549-V558 HydrophobicContact CG1-CG1 3.67Å; V549-E559 WeakPolarHBondContact CA-O 3.29Å; V549-M560 HydrophobicContact CB-CG 4.43Å; V549-M560 HydrophobicContact CG1-CG 3.97Å; V549-M560 HydrophobicContact CG2-CE 4.42Å; V549-M560 HydrophobicContact CG2-CG 4.12Å; V549-A907 HydrophobicContact CB-CB 3.47Å; V549-A907 VanDerWaalsContact CB-CB 3.47Å; V549-A907 HydrophobicContact CG1-CB 3.66Å; V549-A907 HydrophobicContact CG2-CB 3.65Å |
| 550 | K | 93.2 | Very high | 83.9 | Confident | 51 Ų | 51 | 52.5 Ų | 52.5 | 22% | 0.222 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 113.8 | 176.3 | -52.6 | -178.8 | -175.9 | 163.4 | 0 | 109 | D533 L548 V558 E559 | D533-K550 HydrophobicContact CB-CG 4.48Å; D533-K550 WeakPolarHBondContact OD1-CB 3.41Å; D533-K550 WeakPolarHBondContact OD1-CG 3.36Å; L548-K550 HydrophobicContact CG-CG 4.45Å; K550-V558 WeakPolarHBondContact O-CA 3.38Å; K550-E559 HydrophobicContact CB-CB 4.25Å; K550-E559 PolarHBondContact N-O 3.45Å; K550-E559 IonicContact NZ-OE1 3.35Å; K550-E559 PolarHBondContact O-N 3.25Å |
| 551 | I | 91.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 132.5 | -177.7 | -51.7 | 175.8 | 0 | 0 | 0 | 108.3 | E530 N531 G532 F534 V549 V558 A907 L908 A911 | E530-I551 HydrophobicContact CB-CG2 4.13Å; E530-I551 VanDerWaalsContact O-CG2 3.3Å; E530-I551 WeakPolarHBondContact O-CG2 3.35Å; N531-I551 WeakPolarHBondContact CA-O 3.42Å; N531-I551 PolarHBondContact OD1-O 2.78Å; G532-I551 PolarHBondContact N-O 2.86Å; G532-I551 PolarHBondContact O-N 3.15Å; F534-I551 HydrophobicContact CD2-CD1 3.91Å; F534-I551 HydrophobicContact CD2-CG1 4.22Å; F534-I551 HydrophobicContact CE2-CB 4.44Å; F534-I551 HydrophobicContact CE2-CD1 3.99Å; F534-I551 HydrophobicContact CE2-CG1 4.34Å; V549-I551 HydrophobicContact CG1-CD1 4.32Å; V549-I551 HydrophobicContact CG1-CG1 3.9Å; I551-V558 HydrophobicContact CG2-CG2 4.43Å; I551-A907 HydrophobicContact CD1-CB 4.3Å; I551-L908 HydrophobicContact CD1-CD2 3.81Å; I551-L908 HydrophobicContact CD1-CG 4.08Å; I551-A911 HydrophobicContact CD1-CB 4.48Å |
| 552 | R | 90.6 | Very high | 85.7 | Confident | 95 Ų | 95 | 57.6 Ų | 57.6 | 36% | 0.358 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 118.8 | 174.2 | -56.1 | -67.2 | 179.4 | -94.6 | 2.2 | 110.5 | N531 G532 D533 G554 S557 | N531-R552 WeakPolarHBondContact OD1-CA 3.48Å; G532-R552 PolarHBondContact O-NH1 3.46Å; G532-R552 VanDerWaalsContact O-NH1 3.09Å; D533-R552 IonicContact OD1-CZ 3.42Å; D533-R552 IonicContact OD1-NH1 3.67Å; D533-R552 PolarHBondContact OD1-NH1 2.89Å; D533-R552 IonicContact OD1-NH2 3.26Å; D533-R552 PolarHBondContact OD1-NH2 3.31Å; D533-R552 IonicContact OD2-NH2 2.72Å; R552-G554 VanDerWaalsContact C-N 3.33Å; R552-G554 PolarHBondContact O-N 3.38Å; R552-S557 PolarHBondContact N-O 3.34Å; R552-S557 PolarHBondContact O-N 3.41Å |
| 553 | S | 78.1 | Confident | 86.9 | Confident | 51 Ų | 51 | 56.6 Ų | 56.6 | 36% | 0.357 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -27.5 | -172.7 | 51.9 | 0 | 0 | 0 | 0 | 114.4 | G528 E530 | G528-S553 WeakPolarHBondContact O-CB 3.35Å; E530-S553 WeakPolarHBondContact O-CB 3.43Å; E530-S553 PolarHBondContact O-N 3.05Å |
| 554 | G | 68.5 | Low | 87.4 | Confident | 76 Ų | 76 | 56.5 Ų | 56.5 | 78% | 0.784 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -52.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R552 | R552-G554 VanDerWaalsContact C-N 3.33Å; R552-G554 PolarHBondContact O-N 3.38Å |
| 555 | K | 62.8 | Low | 87.6 | Confident | 197 Ų | 197 | 57.8 Ų | 57.8 | 86% | 0.857 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 8.1 | -179.4 | -73.2 | -171.6 | 179.2 | -179.1 | 0 | 113.5 | S557 | K555-S557 VanDerWaalsContact C-N 3.25Å; K555-S557 PolarHBondContact O-N 3.16Å |
| 556 | K | 68.6 | Low | 87.5 | Confident | 120 Ų | 120 | 58.9 Ų | 58.9 | 52% | 0.522 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.3 | 50.5 | -163.8 | -68.3 | -168.9 | 173.3 | -165.6 | 0 | 112 | Y672 | K556-Y672 WeakPolarHBondContact CA-OH 3.38Å; K556-Y672 HydrophobicContact CB-CE1 4.44Å |
| 557 | S | 79.3 | Confident | 87.3 | Confident | 56 Ų | 56 | 59.2 Ų | 59.2 | 39% | 0.392 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 127.7 | 176.9 | 62.8 | 0 | 0 | 0 | 0 | 110 | R552 K555 | R552-S557 PolarHBondContact N-O 3.34Å; R552-S557 PolarHBondContact O-N 3.41Å; K555-S557 VanDerWaalsContact C-N 3.25Å; K555-S557 PolarHBondContact O-N 3.16Å |
| 558 | V | 86.6 | Confident | 87.1 | Confident | 43 Ų | 43 | 61.6 Ų | 61.6 | 26% | 0.261 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 121.4 | 173 | -177.6 | 0 | 0 | 0 | 0 | 108 | V549 K550 I551 M560 Y672 K904 | V549-V558 HydrophobicContact CG1-CG1 3.67Å; K550-V558 WeakPolarHBondContact O-CA 3.38Å; I551-V558 HydrophobicContact CG2-CG2 4.43Å; V558-M560 HydrophobicContact CG1-CG 3.93Å; V558-M560 HydrophobicContact CG1-SD 4.28Å; V558-Y672 HydrophobicContact CG2-CD1 4.34Å; V558-Y672 HydrophobicContact CG2-CE1 3.56Å; V558-K904 HydrophobicContact CG1-CD 4.3Å; V558-K904 HydrophobicContact CG1-CG 4.38Å |
| 559 | E | 90.5 | Very high | 86.7 | Confident | 94 Ų | 94 | 66.7 Ų | 66.7 | 44% | 0.439 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 128.4 | 172.9 | -176.6 | -167.1 | 154.1 | 0 | 0 | 108.3 | V549 K550 H561 | V549-E559 WeakPolarHBondContact CA-O 3.29Å; K550-E559 HydrophobicContact CB-CB 4.25Å; K550-E559 PolarHBondContact N-O 3.45Å; K550-E559 IonicContact NZ-OE1 3.35Å; K550-E559 PolarHBondContact O-N 3.25Å; E559-H561 IonicContact OE1-CD2 3.55Å; E559-H561 IonicContact OE1-CE1 2.78Å; E559-H561 IonicContact OE1-NE2 3.16Å; E559-H561 PolarHBondContact OE1-NE2 3.18Å |
| 560 | M | 91.6 | Very high | 86.5 | Confident | 43 Ų | 43 | 74.2 Ų | 74.2 | 21% | 0.212 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132.4 | -176.6 | -70 | -179.4 | 55.2 | 0 | 0 | 111.5 | L547 L548 V549 V558 D900 K904 | L547-M560 HydrophobicContact CD2-CE 3.58Å; L548-M560 WeakPolarHBondContact O-CA 3.3Å; V549-M560 HydrophobicContact CB-CG 4.43Å; V549-M560 HydrophobicContact CG1-CG 3.97Å; V549-M560 HydrophobicContact CG2-CE 4.42Å; V549-M560 HydrophobicContact CG2-CG 4.12Å; V558-M560 HydrophobicContact CG1-CG 3.93Å; V558-M560 HydrophobicContact CG1-SD 4.28Å; M560-D900 HydrophobicContact CE-CB 3.95Å; M560-D900 HydrophobicContact SD-CB 3.97Å; M560-K904 HydrophobicContact CE-CB 4.17Å; M560-K904 HydrophobicContact SD-CB 3.7Å; M560-K904 HydrophobicContact SD-CD 4.08Å; M560-K904 HydrophobicContact SD-CG 4.13Å |
| 561 | H | 92.9 | Very high | 86.5 | Confident | 64 Ų | 64 | 73 Ų | 73 | 30% | 0.296 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 138.7 | 167.8 | -61.4 | -89.2 | 0 | 0 | 0 | 107.8 | L547 L548 E559 M594 | L547-H561 CarbonylContact C-O 3.55Å; L547-H561 VanDerWaalsContact CA-O 3.23Å; L547-H561 WeakPolarHBondContact CA-O 3.37Å; L548-H561 HydrophobicContact CB-CB 4.42Å; L548-H561 PolarHBondContact N-O 3.29Å; L548-H561 PolarHBondContact O-N 3.48Å; E559-H561 IonicContact OE1-CD2 3.55Å; E559-H561 IonicContact OE1-CE1 2.78Å; E559-H561 IonicContact OE1-NE2 3.16Å; E559-H561 PolarHBondContact OE1-NE2 3.18Å; H561-M594 HydrophobicContact CB-CE 3.54Å; H561-M594 HydrophobicContact CB-SD 3.84Å; H561-M594 VanDerWaalsContact CG-CE 3.44Å |
| 562 | N | 92.9 | Very high | 86.4 | Confident | 77 Ų | 77 | 73.4 Ų | 73.4 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 156.8 | 177 | 71.2 | 90.9 | 0 | 0 | 0 | 111.7 | V546 L547 | V546-N562 VanDerWaalsContact O-CA 3.25Å; V546-N562 WeakPolarHBondContact O-CA 3.11Å; L547-N562 HydrophobicContact CB-CB 4.27Å; L547-N562 HydrophobicContact CD2-CB 3.89Å; L547-N562 HydrophobicContact CG-CB 3.69Å |
| 563 | K | 93.8 | Very high | 86.4 | Confident | 66 Ų | 66 | 73.1 Ų | 73.1 | 29% | 0.287 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 136.3 | 169.9 | -170.1 | 162.8 | 167.3 | -167.8 | 0 | 109.1 | R545 V546 Y565 D589 F590 | R545-K563 WeakPolarHBondContact CA-O 3.27Å; V546-K563 PolarHBondContact N-O 3.26Å; V546-K563 VanDerWaalsContact N-O 3.12Å; V546-K563 PolarHBondContact O-N 2.65Å; K563-Y565 HydrophobicContact CB-CE2 3.79Å; K563-Y565 HydrophobicContact CD-CE1 4.44Å; K563-Y565 HydrophobicContact CD-CE2 4.37Å; K563-Y565 VanDerWaalsContact CD-OH 3.28Å; K563-Y565 WeakPolarHBondContact CD-OH 3.44Å; K563-Y565 HydrophobicContact CG-CE1 4.46Å; K563-Y565 HydrophobicContact CG-CE2 3.85Å; K563-Y565 WeakPolarHBondContact O-CD2 3.33Å; K563-D589 WeakPolarHBondContact CE-OD2 3.32Å; K563-D589 IonicContact NZ-OD1 2.94Å; K563-D589 PolarHBondContact NZ-OD1 3.2Å; K563-D589 IonicContact NZ-OD2 3.54Å; K563-D589 PolarHBondContact NZ-OD2 3.2Å; K563-F590 HydrophobicContact CB-CD2 3.59Å; K563-F590 HydrophobicContact CB-CE2 3.93Å |
| 564 | I | 92.7 | Very high | 87.2 | Confident | 100 Ų | 100 | 71.5 Ų | 71.5 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 134.3 | 178.4 | -62.1 | 162.6 | 0 | 0 | 0 | 108.4 | N543 F544 R545 | N543-I564 HydrophobicContact CB-CG2 3.92Å; F544-I564 CarbonylContact O-C 3.55Å; F544-I564 WeakPolarHBondContact O-CA 3.09Å; R545-I564 HydrophobicContact CG-CG1 3.94Å |
| 565 | Y | 93.3 | Very high | 88.5 | Confident | 27 Ų | 27 | 70.4 Ų | 70.4 | 11% | 0.106 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.5 | 176.1 | -62.3 | -90.5 | 0 | 0 | 0 | 109.2 | F544 V546 K563 C586 D589 F590 | F544-Y565 HydrophobicContact CD1-CD2 4.38Å; F544-Y565 PolarHBondContact N-O 3.23Å; F544-Y565 PolarHBondContact O-N 3.24Å; V546-Y565 HydrophobicContact CB-CE2 4.14Å; V546-Y565 HydrophobicContact CG2-CD2 4.01Å; V546-Y565 HydrophobicContact CG2-CE2 3.76Å; K563-Y565 HydrophobicContact CB-CE2 3.79Å; K563-Y565 HydrophobicContact CD-CE1 4.44Å; K563-Y565 HydrophobicContact CD-CE2 4.37Å; K563-Y565 VanDerWaalsContact CD-OH 3.28Å; K563-Y565 WeakPolarHBondContact CD-OH 3.44Å; K563-Y565 HydrophobicContact CG-CE1 4.46Å; K563-Y565 HydrophobicContact CG-CE2 3.85Å; K563-Y565 WeakPolarHBondContact O-CD2 3.33Å; Y565-C586 HydrophobicContact CD1-CB 3.72Å; Y565-C586 WeakPolarHBondContact CD1-SG 3.24Å; Y565-C586 HydrophobicContact CD2-CB 3.87Å; Y565-C586 HydrophobicContact CE1-CB 3.96Å; Y565-C586 HydrophobicContact CE2-CB 4.12Å; Y565-C586 HydrophobicContact CG-CB 3.67Å; Y565-C586 VanDerWaalsContact CG-SG 3.56Å; Y565-C586 PolarHBondContact OH-O 3.19Å; Y565-D589 HydrophobicContact CE1-CB 4.39Å; Y565-D589 WeakPolarHBondContact CE1-OD2 3.38Å; Y565-D589 VanDerWaalsContact CZ-OD2 3.3Å; Y565-D589 PolarHBondContact OH-OD2 2.85Å; Y565-F590 HydrophobicContact CE2-CB 4.44Å; Y565-F590 WeakPolarHBondContact OH-CA 3.39Å; Y565-F590 WeakPolarHBondContact OH-CB 3.39Å; Y565-F590 PolarHBondContact OH-N 3.48Å |
| 566 | A | 91.2 | Very high | 90 | Very high | 74 Ų | 74 | 61.1 Ų | 61.1 | 61% | 0.612 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 141.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | H582 | A566-H582 PolarHBondContact O-NE2 3.3Å |
| 567 | I | 91.2 | Very high | 91.2 | Very high | 7 Ų | 7 | 60.9 Ų | 60.9 | 4% | 0.036 | 33% | 0.327 | C | S | . | . | trans | -104.6 | 113.5 | 165.6 | -54.5 | -176.7 | 0 | 0 | 0 | 107.6 | L539 T542 F544 V571 M572 L579 F628 | L539-I567 HydrophobicContact CD1-CD1 3.26Å; T542-I567 PolarHBondContact O-N 2.86Å; F544-I567 HydrophobicContact CB-CD1 3.77Å; F544-I567 HydrophobicContact CB-CG1 3.87Å; F544-I567 HydrophobicContact CG-CD1 4.35Å; I567-V571 HydrophobicContact CG2-CB 3.99Å; I567-V571 HydrophobicContact CG2-CG1 3.88Å; I567-M572 HydrophobicContact CB-CG 4Å; I567-M572 HydrophobicContact CG2-CG 3.48Å; I567-M572 VanDerWaalsContact CG2-CG 3.48Å; I567-L579 HydrophobicContact CD1-CD1 4.29Å; I567-L579 HydrophobicContact CG2-CD1 4.09Å; I567-F628 HydrophobicContact CD1-CE1 4.48Å; I567-F628 HydrophobicContact CD1-CZ 4.41Å | ||
| 568 | P | 89.9 | Confident | 92 | Very high | 51 Ų | 51 | 63.1 Ų | 63.1 | 33% | 0.331 | 33% | 0.331 | S | S | . | . | trans | -57.1 | 146.4 | 176 | -24 | 33.9 | 0 | 0 | 0 | 111.6 | E570 V571 M572 | P568-E570 HydrophobicContact CB-CG 3.86Å; P568-E570 PolarHBondContact O-N 2.89Å; P568-V571 HydrophobicContact CB-CB 4.5Å; P568-V571 HydrophobicContact CB-CG2 4.13Å; P568-V571 HydrophobicContact CG-CG2 4.15Å; P568-V571 WeakPolarHBondContact O-CA 3.34Å; P568-V571 WeakPolarHBondContact O-CB 3.45Å; P568-V571 PolarHBondContact O-N 2.98Å; P568-M572 PolarHBondContact O-N 3.3Å | ||
| 569 | L | 86.4 | Confident | 92.4 | Very high | 108 Ų | 108 | 61 Ų | 61 | 57% | 0.565 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59 | -37.9 | -178.7 | -174.8 | 65.4 | 0 | 0 | 0 | 112.2 | V571 M572 Q573 | L569-V571 PolarHBondContact O-N 3.38Å; L569-M572 PolarHBondContact O-N 3.03Å; L569-Q573 HydrophobicContact CD1-CG 4.25Å; L569-Q573 WeakPolarHBondContact O-CB 3.26Å; L569-Q573 PolarHBondContact O-N 3.1Å |
| 570 | E | 91.5 | Very high | 92.7 | Very high | 159 Ų | 159 | 56.6 Ų | 56.6 | 74% | 0.743 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.9 | -29.2 | 174.8 | 52.6 | -156.2 | 174.2 | 0 | 0 | 113.2 | P568 G574 | P568-E570 HydrophobicContact CB-CG 3.86Å; P568-E570 PolarHBondContact O-N 2.89Å; E570-G574 VanDerWaalsContact O-CA 3.25Å; E570-G574 WeakPolarHBondContact O-CA 3.42Å; E570-G574 PolarHBondContact O-N 3.36Å |
| 571 | V | 92.8 | Very high | 92.9 | Very high | 25 Ų | 25 | 57.4 Ų | 57.4 | 15% | 0.152 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -80.8 | -41.3 | 171.2 | 178.4 | 0 | 0 | 0 | 0 | 111 | I567 P568 L569 Q573 G574 L579 H582 | I567-V571 HydrophobicContact CG2-CB 3.99Å; I567-V571 HydrophobicContact CG2-CG1 3.88Å; P568-V571 HydrophobicContact CB-CB 4.5Å; P568-V571 HydrophobicContact CB-CG2 4.13Å; P568-V571 HydrophobicContact CG-CG2 4.15Å; P568-V571 WeakPolarHBondContact O-CA 3.34Å; P568-V571 WeakPolarHBondContact O-CB 3.45Å; P568-V571 PolarHBondContact O-N 2.98Å; L569-V571 PolarHBondContact O-N 3.38Å; V571-Q573 PolarHBondContact O-N 2.95Å; V571-G574 PolarHBondContact O-N 2.73Å; V571-L579 HydrophobicContact CG1-CB 4.29Å; V571-L579 HydrophobicContact CG1-CD1 4.04Å; V571-H582 HydrophobicContact CG1-CB 4Å |
| 572 | M | 89.6 | Confident | 93 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.039 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.4 | -27.5 | 177.2 | -68 | -179 | 54.7 | 0 | 0 | 113.4 | T542 I567 P568 L569 F628 K629 A630 | T542-M572 HydrophobicContact CG2-CE 4.44Å; T542-M572 HydrophobicContact CG2-SD 3.82Å; I567-M572 HydrophobicContact CB-CG 4Å; I567-M572 HydrophobicContact CG2-CG 3.48Å; I567-M572 VanDerWaalsContact CG2-CG 3.48Å; P568-M572 PolarHBondContact O-N 3.3Å; L569-M572 PolarHBondContact O-N 3.03Å; M572-F628 HydrophobicContact CB-CD1 4.25Å; M572-F628 HydrophobicContact CB-CE1 4.33Å; M572-F628 HydrophobicContact CE-CD1 4.32Å; M572-F628 HydrophobicContact CE-CD2 3.55Å; M572-F628 HydrophobicContact CE-CE1 4.19Å; M572-F628 HydrophobicContact CE-CE2 3.41Å; M572-F628 VanDerWaalsContact CE-CE2 3.41Å; M572-F628 HydrophobicContact CE-CG 4.03Å; M572-F628 HydrophobicContact CE-CZ 3.75Å; M572-F628 HydrophobicContact CG-CD1 4.33Å; M572-F628 HydrophobicContact CG-CE1 3.91Å; M572-F628 HydrophobicContact CG-CZ 4.12Å; M572-F628 HydrophobicContact SD-CE2 4.49Å; M572-F628 HydrophobicContact SD-CZ 4.31Å; M572-K629 PolarHBondContact O-N 3.39Å; M572-A630 PolarHBondContact O-N 3.47Å |
| 573 | Q | 91.4 | Very high | 93.1 | Very high | 90 Ų | 90 | 52.8 Ų | 52.8 | 42% | 0.421 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 6.8 | -177.9 | -58.8 | -175.8 | -4.6 | 0 | 0 | 113.2 | L569 V571 K629 | L569-Q573 HydrophobicContact CD1-CG 4.25Å; L569-Q573 WeakPolarHBondContact O-CB 3.26Å; L569-Q573 PolarHBondContact O-N 3.1Å; V571-Q573 PolarHBondContact O-N 2.95Å; Q573-K629 HydrophobicContact CG-CB 4.37Å |
| 574 | G | 93.3 | Very high | 93.2 | Very high | 16 Ų | 16 | 49.7 Ų | 49.7 | 17% | 0.165 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -84 | -137.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E570 V571 A630 T631 | E570-G574 VanDerWaalsContact O-CA 3.25Å; E570-G574 WeakPolarHBondContact O-CA 3.42Å; E570-G574 PolarHBondContact O-N 3.36Å; V571-G574 PolarHBondContact O-N 2.73Å; G574-A630 CarbonylContact O-C 3.55Å; G574-A630 VanDerWaalsContact O-CA 3.23Å; G574-A630 WeakPolarHBondContact O-CA 3.41Å; G574-T631 PolarHBondContact O-N 3.37Å |
| 575 | T | 95.9 | Very high | 93.3 | Very high | 53 Ų | 53 | 50.9 Ų | 50.9 | 33% | 0.325 | 27% | 0.269 | S | S | . | . | B | Isolated β-bridge | trans | -93.3 | 156 | 174.9 | 65.3 | 0 | 0 | 0 | 0 | 112 | E577 E578 L579 | T575-E577 PolarHBondContact O-N 2.95Å; T575-E578 PolarHBondContact N-OE2 2.99Å; T575-E578 PolarHBondContact O-N 2.92Å; T575-E578 WeakPolarHBondContact OG1-CB 3.44Å; T575-E578 WeakPolarHBondContact OG1-CG 2.78Å; T575-E578 PolarHBondContact OG1-N 2.87Å; T575-E578 PolarHBondContact OG1-OE2 3.25Å; T575-L579 PolarHBondContact O-N 2.73Å |
| 576 | G | 94.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.8 | -38.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | L579 F580 T631 C633 | G576-L579 PolarHBondContact O-N 2.72Å; G576-F580 WeakPolarHBondContact O-CD2 3.45Å; G576-F580 PolarHBondContact O-N 2.95Å; G576-T631 PolarHBondContact N-O 2.88Å; G576-C633 WeakPolarHBondContact CA-SG 3.43Å |
| 577 | E | 94.9 | Very high | 93.6 | Very high | 114 Ų | 114 | 46.2 Ų | 46.2 | 53% | 0.533 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.9 | -51.5 | 175.8 | -172.3 | 167.5 | -175 | 0 | 0 | 111.6 | T575 L579 F580 D581 R648 | T575-E577 PolarHBondContact O-N 2.95Å; E577-L579 VanDerWaalsContact C-N 3.33Å; E577-L579 PolarHBondContact O-N 2.75Å; E577-F580 PolarHBondContact O-N 3.45Å; E577-D581 VanDerWaalsContact O-CB 3.29Å; E577-D581 WeakPolarHBondContact O-CB 3.39Å; E577-D581 PolarHBondContact O-N 2.92Å; E577-R648 IonicContact OE1-NE 2.73Å |
| 578 | E | 95.3 | Very high | 93.8 | Very high | 103 Ų | 103 | 46.1 Ų | 46.1 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.6 | -40.9 | 176.5 | -71.5 | 162.1 | 153 | 0 | 0 | 112.5 | T575 H582 | T575-E578 PolarHBondContact N-OE2 2.99Å; T575-E578 PolarHBondContact O-N 2.92Å; T575-E578 WeakPolarHBondContact OG1-CB 3.44Å; T575-E578 WeakPolarHBondContact OG1-CG 2.78Å; T575-E578 PolarHBondContact OG1-N 2.87Å; T575-E578 PolarHBondContact OG1-OE2 3.25Å; E578-H582 WeakPolarHBondContact O-CB 3.46Å; E578-H582 PolarHBondContact O-N 2.95Å |
| 579 | L | 96 | Very high | 94 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.3 | -48.7 | 178.5 | 176.2 | 62.8 | 0 | 0 | 0 | 112 | I567 V571 T575 G576 E577 H582 I583 W624 F628 A630 | I567-L579 HydrophobicContact CD1-CD1 4.29Å; I567-L579 HydrophobicContact CG2-CD1 4.09Å; V571-L579 HydrophobicContact CG1-CB 4.29Å; V571-L579 HydrophobicContact CG1-CD1 4.04Å; T575-L579 PolarHBondContact O-N 2.73Å; G576-L579 PolarHBondContact O-N 2.72Å; E577-L579 VanDerWaalsContact C-N 3.33Å; E577-L579 PolarHBondContact O-N 2.75Å; L579-H582 PolarHBondContact O-N 2.96Å; L579-I583 HydrophobicContact CD1-CD1 4.31Å; L579-I583 HydrophobicContact CG-CD1 4.2Å; L579-I583 WeakPolarHBondContact O-CG1 3.23Å; L579-I583 PolarHBondContact O-N 2.82Å; L579-I583 VanDerWaalsContact O-N 3.07Å; L579-W624 HydrophobicContact CD2-CH2 4.06Å; L579-W624 HydrophobicContact CD2-CZ2 4.18Å; L579-F628 HydrophobicContact CD1-CE1 4.28Å; L579-F628 HydrophobicContact CD2-CD1 4.42Å; L579-A630 HydrophobicContact CB-CB 4.34Å; L579-A630 HydrophobicContact CD2-CB 3.88Å |
| 580 | F | 96.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -73.1 | -32.9 | -178.8 | -75.6 | -75.5 | 0 | 0 | 0 | 112.2 | G576 E577 I583 V584 F605 I638 L641 L642 S645 | G576-F580 WeakPolarHBondContact O-CD2 3.45Å; G576-F580 PolarHBondContact O-N 2.95Å; E577-F580 PolarHBondContact O-N 3.45Å; F580-I583 HydrophobicContact CD1-CD1 3.99Å; F580-I583 HydrophobicContact CE1-CD1 4.17Å; F580-I583 WeakPolarHBondContact O-CB 2.95Å; F580-I583 PolarHBondContact O-N 2.87Å; F580-V584 WeakPolarHBondContact O-CG2 3.49Å; F580-V584 PolarHBondContact O-N 2.99Å; F580-F605 HydrophobicContact CE1-CE1 4.05Å; F580-F605 HydrophobicContact CE1-CZ 4.24Å; F580-I638 HydrophobicContact CE1-CG2 4.05Å; F580-I638 HydrophobicContact CE2-CD1 4.48Å; F580-I638 HydrophobicContact CZ-CD1 4.1Å; F580-I638 HydrophobicContact CZ-CG2 3.83Å; F580-L641 HydrophobicContact CD1-CB 4.47Å; F580-L641 HydrophobicContact CD2-CB 3.68Å; F580-L641 HydrophobicContact CD2-CD1 4.05Å; F580-L641 HydrophobicContact CD2-CG 4.47Å; F580-L641 HydrophobicContact CE1-CB 4.5Å; F580-L641 HydrophobicContact CE2-CB 3.74Å; F580-L641 HydrophobicContact CE2-CD1 3.57Å; F580-L641 HydrophobicContact CE2-CG 4.32Å; F580-L641 HydrophobicContact CG-CB 4.1Å; F580-L641 HydrophobicContact CZ-CB 4.19Å; F580-L641 HydrophobicContact CZ-CD1 4.33Å; F580-L642 HydrophobicContact CD1-CB 4.08Å; F580-L642 HydrophobicContact CD1-CD1 4.33Å; F580-L642 HydrophobicContact CE1-CB 4.33Å; F580-S645 VanDerWaalsContact C-OG 3.27Å; F580-S645 PolarHBondContact O-OG 3.42Å |
| 581 | D | 95.5 | Very high | 94.6 | Very high | 59 Ų | 59 | 33.9 Ų | 33.9 | 32% | 0.316 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65.1 | -39.7 | 173 | -72.1 | -2 | 0 | 0 | 0 | 111.5 | E577 V584 H585 S645 R648 | E577-D581 VanDerWaalsContact O-CB 3.29Å; E577-D581 WeakPolarHBondContact O-CB 3.39Å; E577-D581 PolarHBondContact O-N 2.92Å; D581-V584 PolarHBondContact O-N 3.16Å; D581-H585 WeakPolarHBondContact O-CB 3.3Å; D581-H585 PolarHBondContact O-N 2.9Å; D581-S645 VanDerWaalsContact CA-OG 3.27Å; D581-S645 WeakPolarHBondContact CA-OG 3.28Å; D581-S645 PolarHBondContact N-OG 3.07Å; D581-S645 WeakPolarHBondContact OD1-CB 3.5Å; D581-S645 PolarHBondContact OD1-OG 3.44Å; D581-R648 IonicContact OD1-CZ 3.88Å; D581-R648 IonicContact OD1-NE 2.92Å; D581-R648 PolarHBondContact OD1-NE 3.19Å; D581-R648 IonicContact OD1-NH2 2.64Å; D581-R648 PolarHBondContact OD1-NH2 3.44Å; D581-R648 IonicContact OD2-NE 3.29Å; D581-R648 IonicContact OD2-NH2 2.84Å |
| 582 | H | 95.3 | Very high | 94.6 | Very high | 44 Ų | 44 | 36.8 Ų | 36.8 | 20% | 0.204 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 171.6 | -176.2 | 79.7 | 0 | 0 | 0 | 112 | A566 V571 E578 L579 H585 C586 | A566-H582 PolarHBondContact O-NE2 3.3Å; V571-H582 HydrophobicContact CG1-CB 4Å; E578-H582 WeakPolarHBondContact O-CB 3.46Å; E578-H582 PolarHBondContact O-N 2.95Å; L579-H582 PolarHBondContact O-N 2.96Å; H582-H585 PolarHBondContact O-N 3.42Å; H582-C586 PolarHBondContact O-N 2.77Å; H582-C586 PolarHBondContact O-SG 3.32Å |
| 583 | I | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.1 | -47.6 | 176 | -72.1 | 163.9 | 0 | 0 | 0 | 110.7 | L537 L539 F544 L579 F580 H585 C586 I587 L642 | L537-I583 HydrophobicContact CD1-CG2 4.31Å; L539-I583 HydrophobicContact CD2-CD1 3.69Å; F544-I583 HydrophobicContact CE1-CB 4.43Å; F544-I583 HydrophobicContact CE1-CG1 4.36Å; F544-I583 HydrophobicContact CE1-CG2 4.09Å; F544-I583 HydrophobicContact CE2-CG2 4.44Å; F544-I583 HydrophobicContact CZ-CB 4.42Å; F544-I583 HydrophobicContact CZ-CG1 4.33Å; F544-I583 HydrophobicContact CZ-CG2 3.69Å; L579-I583 HydrophobicContact CD1-CD1 4.31Å; L579-I583 HydrophobicContact CG-CD1 4.2Å; L579-I583 WeakPolarHBondContact O-CG1 3.23Å; L579-I583 PolarHBondContact O-N 2.82Å; L579-I583 VanDerWaalsContact O-N 3.07Å; F580-I583 HydrophobicContact CD1-CD1 3.99Å; F580-I583 HydrophobicContact CE1-CD1 4.17Å; F580-I583 WeakPolarHBondContact O-CB 2.95Å; F580-I583 PolarHBondContact O-N 2.87Å; I583-H585 VanDerWaalsContact C-N 3.34Å; I583-H585 PolarHBondContact O-N 3.3Å; I583-C586 WeakPolarHBondContact O-CB 3.49Å; I583-C586 PolarHBondContact O-N 2.91Å; I583-I587 HydrophobicContact CG2-CD1 3.92Å; I583-I587 VanDerWaalsContact O-CG1 3.3Å; I583-I587 WeakPolarHBondContact O-CG1 3.44Å; I583-I587 PolarHBondContact O-N 3.32Å; I583-L642 HydrophobicContact CG2-CD1 4.03Å |
| 584 | V | 95.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.4 | -37.3 | 179.8 | 167.7 | 0 | 0 | 0 | 0 | 111.8 | F580 D581 I587 S588 L642 S645 I646 N649 F652 | F580-V584 WeakPolarHBondContact O-CG2 3.49Å; F580-V584 PolarHBondContact O-N 2.99Å; D581-V584 PolarHBondContact O-N 3.16Å; V584-I587 PolarHBondContact O-N 3.49Å; V584-S588 PolarHBondContact O-N 3.24Å; V584-L642 HydrophobicContact CG2-CD1 3.84Å; V584-S645 VanDerWaalsContact CG2-OG 3.26Å; V584-S645 WeakPolarHBondContact CG2-OG 3.4Å; V584-I646 HydrophobicContact CG1-CG1 4.46Å; V584-I646 HydrophobicContact CG2-CG1 3.69Å; V584-N649 HydrophobicContact CG1-CB 3.64Å; V584-F652 HydrophobicContact CG1-CE1 4.14Å; V584-F652 HydrophobicContact CG1-CZ 3.83Å |
| 585 | H | 95.1 | Very high | 94.8 | Very high | 125 Ų | 125 | 44.1 Ų | 44.1 | 58% | 0.579 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -60.3 | -45.6 | 171.8 | -179.4 | 70.6 | 0 | 0 | 0 | 111.8 | D581 H582 I583 I587 S588 D589 | D581-H585 WeakPolarHBondContact O-CB 3.3Å; D581-H585 PolarHBondContact O-N 2.9Å; H582-H585 PolarHBondContact O-N 3.42Å; I583-H585 VanDerWaalsContact C-N 3.34Å; I583-H585 PolarHBondContact O-N 3.3Å; H585-I587 VanDerWaalsContact C-N 3.31Å; H585-I587 PolarHBondContact O-N 3.07Å; H585-S588 WeakPolarHBondContact O-CB 3.49Å; H585-S588 PolarHBondContact O-N 2.95Å; H585-D589 PolarHBondContact O-N 2.86Å |
| 586 | C | 95.7 | Very high | 94.5 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.02 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.5 | -38.8 | 175.9 | -64.5 | 0 | 0 | 0 | 0 | 112 | F544 V546 Y565 H582 I583 F590 | F544-C586 HydrophobicContact CD1-CB 4.07Å; F544-C586 HydrophobicContact CE1-CB 3.8Å; V546-C586 HydrophobicContact CG2-CB 4.42Å; Y565-C586 HydrophobicContact CD1-CB 3.72Å; Y565-C586 WeakPolarHBondContact CD1-SG 3.24Å; Y565-C586 HydrophobicContact CD2-CB 3.87Å; Y565-C586 HydrophobicContact CE1-CB 3.96Å; Y565-C586 HydrophobicContact CE2-CB 4.12Å; Y565-C586 HydrophobicContact CG-CB 3.67Å; Y565-C586 VanDerWaalsContact CG-SG 3.56Å; Y565-C586 PolarHBondContact OH-O 3.19Å; H582-C586 PolarHBondContact O-N 2.77Å; H582-C586 PolarHBondContact O-SG 3.32Å; I583-C586 WeakPolarHBondContact O-CB 3.49Å; I583-C586 PolarHBondContact O-N 2.91Å; C586-F590 WeakPolarHBondContact O-CB 3.47Å; C586-F590 PolarHBondContact O-N 3.37Å |
| 587 | I | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.1 | -44.4 | 174.6 | -65 | 166.3 | 0 | 0 | 0 | 110.6 | L537 V546 I583 V584 H585 D589 F590 L591 L642 F652 L654 | L537-I587 HydrophobicContact CD1-CD1 3.69Å; L537-I587 HydrophobicContact CD2-CD1 3.75Å; L537-I587 HydrophobicContact CD2-CG1 3.7Å; L537-I587 HydrophobicContact CG-CD1 4.35Å; V546-I587 HydrophobicContact CG1-CG1 4.41Å; V546-I587 HydrophobicContact CG2-CG1 4.17Å; I583-I587 HydrophobicContact CG2-CD1 3.92Å; I583-I587 VanDerWaalsContact O-CG1 3.3Å; I583-I587 WeakPolarHBondContact O-CG1 3.44Å; I583-I587 PolarHBondContact O-N 3.32Å; V584-I587 PolarHBondContact O-N 3.49Å; H585-I587 VanDerWaalsContact C-N 3.31Å; H585-I587 PolarHBondContact O-N 3.07Å; I587-D589 PolarHBondContact O-N 2.83Å; I587-F590 PolarHBondContact O-N 3.1Å; I587-L591 HydrophobicContact CG2-CD1 3.99Å; I587-L591 HydrophobicContact CG2-CG 4.3Å; I587-L591 WeakPolarHBondContact O-CG 3.41Å; I587-L591 PolarHBondContact O-N 3.07Å; I587-L642 HydrophobicContact CD1-CD1 4.41Å; I587-F652 HydrophobicContact CB-CZ 3.97Å; I587-F652 HydrophobicContact CG2-CE1 4.33Å; I587-F652 HydrophobicContact CG2-CE2 3.82Å; I587-F652 HydrophobicContact CG2-CZ 3.57Å; I587-L654 HydrophobicContact CG2-CD1 3.79Å |
| 588 | S | 94.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.028 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.5 | -50.8 | 178 | -157.9 | 0 | 0 | 0 | 0 | 111.5 | V584 H585 F590 L591 D592 K597 E651 | V584-S588 PolarHBondContact O-N 3.24Å; H585-S588 WeakPolarHBondContact O-CB 3.49Å; H585-S588 PolarHBondContact O-N 2.95Å; S588-F590 VanDerWaalsContact C-N 3.31Å; S588-F590 PolarHBondContact O-N 2.91Å; S588-L591 PolarHBondContact O-N 3.24Å; S588-D592 PolarHBondContact O-N 2.87Å; S588-K597 WeakPolarHBondContact OG-CE 3.38Å; S588-K597 PolarHBondContact OG-NZ 2.9Å; S588-E651 PolarHBondContact OG-OE2 3.11Å |
| 589 | D | 95.4 | Very high | 92.9 | Very high | 57 Ų | 57 | 44.2 Ų | 44.2 | 31% | 0.305 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.7 | -38.7 | 177.8 | 169 | 82.8 | 0 | 0 | 0 | 112.1 | K563 Y565 H585 I587 Y593 | K563-D589 WeakPolarHBondContact CE-OD2 3.32Å; K563-D589 IonicContact NZ-OD1 2.94Å; K563-D589 PolarHBondContact NZ-OD1 3.2Å; K563-D589 IonicContact NZ-OD2 3.54Å; K563-D589 PolarHBondContact NZ-OD2 3.2Å; Y565-D589 HydrophobicContact CE1-CB 4.39Å; Y565-D589 WeakPolarHBondContact CE1-OD2 3.38Å; Y565-D589 VanDerWaalsContact CZ-OD2 3.3Å; Y565-D589 PolarHBondContact OH-OD2 2.85Å; H585-D589 PolarHBondContact O-N 2.86Å; I587-D589 PolarHBondContact O-N 2.83Å; D589-Y593 WeakPolarHBondContact O-CB 3.24Å; D589-Y593 PolarHBondContact O-N 3.08Å |
| 590 | F | 95.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 176 | -175.6 | -106.3 | 0 | 0 | 0 | 112.5 | L535 V546 L548 K563 Y565 C586 I587 S588 D592 Y593 M594 | L535-F590 HydrophobicContact CD2-CD1 4.28Å; L535-F590 HydrophobicContact CD2-CE1 4.05Å; V546-F590 HydrophobicContact CB-CB 3.96Å; V546-F590 HydrophobicContact CB-CD1 4.01Å; V546-F590 HydrophobicContact CB-CD2 4.3Å; V546-F590 HydrophobicContact CB-CG 3.82Å; V546-F590 HydrophobicContact CG1-CB 3.81Å; V546-F590 HydrophobicContact CG1-CD1 3.32Å; V546-F590 HydrophobicContact CG1-CD2 4.48Å; V546-F590 HydrophobicContact CG1-CE1 3.96Å; V546-F590 HydrophobicContact CG1-CG 3.61Å; V546-F590 HydrophobicContact CG2-CB 4.49Å; L548-F590 HydrophobicContact CB-CE1 3.97Å; L548-F590 HydrophobicContact CB-CZ 4.11Å; K563-F590 HydrophobicContact CB-CD2 3.59Å; K563-F590 HydrophobicContact CB-CE2 3.93Å; Y565-F590 HydrophobicContact CE2-CB 4.44Å; Y565-F590 WeakPolarHBondContact OH-CA 3.39Å; Y565-F590 WeakPolarHBondContact OH-CB 3.39Å; Y565-F590 PolarHBondContact OH-N 3.48Å; C586-F590 WeakPolarHBondContact O-CB 3.47Å; C586-F590 PolarHBondContact O-N 3.37Å; I587-F590 PolarHBondContact O-N 3.1Å; S588-F590 VanDerWaalsContact C-N 3.31Å; S588-F590 PolarHBondContact O-N 2.91Å; F590-D592 VanDerWaalsContact C-N 3.34Å; F590-Y593 HydrophobicContact CD2-CD1 4.44Å; F590-Y593 HydrophobicContact CE2-CD1 4.43Å; F590-Y593 WeakPolarHBondContact O-CB 3.04Å; F590-Y593 PolarHBondContact O-N 2.9Å; F590-M594 HydrophobicContact CD1-CG 4.23Å; F590-M594 HydrophobicContact CD2-CG 4.43Å; F590-M594 HydrophobicContact CE1-CG 3.78Å; F590-M594 HydrophobicContact CE2-CG 4Å; F590-M594 HydrophobicContact CE2-SD 4.34Å; F590-M594 HydrophobicContact CZ-CG 3.66Å; F590-M594 HydrophobicContact CZ-SD 4.17Å; F590-M594 WeakPolarHBondContact O-CG 3.28Å; F590-M594 PolarHBondContact O-N 2.91Å |
| 591 | L | 93.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 177.6 | -72.2 | 175.7 | 0 | 0 | 0 | 112 | L535 I587 S588 M594 G595 M596 K597 F652 | L535-L591 HydrophobicContact CD1-CD2 3.96Å; L535-L591 HydrophobicContact CD2-CD2 4.26Å; I587-L591 HydrophobicContact CG2-CD1 3.99Å; I587-L591 HydrophobicContact CG2-CG 4.3Å; I587-L591 WeakPolarHBondContact O-CG 3.41Å; I587-L591 PolarHBondContact O-N 3.07Å; S588-L591 PolarHBondContact O-N 3.24Å; L591-M594 PolarHBondContact O-N 2.85Å; L591-G595 PolarHBondContact O-N 3.16Å; L591-M596 HydrophobicContact CD2-CB 4.33Å; L591-M596 PolarHBondContact O-N 3.35Å; L591-K597 HydrophobicContact CB-CB 4.49Å; L591-K597 HydrophobicContact CB-CG 4.37Å; L591-F652 HydrophobicContact CD1-CB 4.21Å; L591-F652 HydrophobicContact CD1-CD1 4.21Å; L591-F652 HydrophobicContact CD1-CD2 3.95Å; L591-F652 HydrophobicContact CD1-CE2 4.36Å; L591-F652 HydrophobicContact CD1-CG 3.86Å |
| 592 | D | 93.1 | Very high | 92.2 | Very high | 87 Ų | 87 | 47.3 Ų | 47.3 | 47% | 0.465 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 171.5 | -82.3 | -32.4 | 0 | 0 | 0 | 111.2 | S588 F590 M594 G595 K597 | S588-D592 PolarHBondContact O-N 2.87Å; F590-D592 VanDerWaalsContact C-N 3.34Å; D592-M594 VanDerWaalsContact C-N 3.28Å; D592-M594 PolarHBondContact O-N 3.45Å; D592-G595 PolarHBondContact O-N 3Å; D592-G595 VanDerWaalsContact O-N 3.07Å; D592-K597 VanDerWaalsContact OD1-CD 3.26Å; D592-K597 WeakPolarHBondContact OD1-CD 3.36Å; D592-K597 IonicContact OD1-NZ 2.89Å; D592-K597 IonicContact OD2-NZ 3.7Å; D592-K597 PolarHBondContact OD2-NZ 3.48Å |
| 593 | Y | 93.1 | Very high | 92.2 | Very high | 157 Ų | 157 | 45.2 Ų | 45.2 | 62% | 0.616 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -58 | -38.7 | 176.4 | 174.5 | -99.5 | 0 | 0 | 0 | 112.8 | D589 F590 | D589-Y593 WeakPolarHBondContact O-CB 3.24Å; D589-Y593 PolarHBondContact O-N 3.08Å; F590-Y593 HydrophobicContact CD2-CD1 4.44Å; F590-Y593 HydrophobicContact CE2-CD1 4.43Å; F590-Y593 WeakPolarHBondContact O-CB 3.04Å; F590-Y593 PolarHBondContact O-N 2.9Å |
| 594 | M | 93.3 | Very high | 92.3 | Very high | 43 Ų | 43 | 45.2 Ų | 45.2 | 21% | 0.212 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -84.6 | -8.6 | 178.2 | -66 | -56.1 | -67.5 | 0 | 0 | 113.7 | L548 H561 F590 L591 D592 M596 | L548-M594 HydrophobicContact CB-CE 4.32Å; L548-M594 HydrophobicContact CD2-CE 3.47Å; L548-M594 VanDerWaalsContact CD2-CE 3.47Å; H561-M594 HydrophobicContact CB-CE 3.54Å; H561-M594 HydrophobicContact CB-SD 3.84Å; H561-M594 VanDerWaalsContact CG-CE 3.44Å; F590-M594 HydrophobicContact CD1-CG 4.23Å; F590-M594 HydrophobicContact CD2-CG 4.43Å; F590-M594 HydrophobicContact CE1-CG 3.78Å; F590-M594 HydrophobicContact CE2-CG 4Å; F590-M594 HydrophobicContact CE2-SD 4.34Å; F590-M594 HydrophobicContact CZ-CG 3.66Å; F590-M594 HydrophobicContact CZ-SD 4.17Å; F590-M594 WeakPolarHBondContact O-CG 3.28Å; F590-M594 PolarHBondContact O-N 2.91Å; L591-M594 PolarHBondContact O-N 2.85Å; D592-M594 VanDerWaalsContact C-N 3.28Å; D592-M594 PolarHBondContact O-N 3.45Å; M594-M596 HydrophobicContact CB-CG 4.22Å |
| 595 | G | 91.8 | Very high | 92.3 | Very high | 68 Ų | 68 | 45.1 Ų | 45.1 | 70% | 0.701 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 33.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L591 D592 | L591-G595 PolarHBondContact O-N 3.16Å; D592-G595 PolarHBondContact O-N 3Å; D592-G595 VanDerWaalsContact O-N 3.07Å |
| 596 | M | 89.9 | Confident | 92.3 | Very high | 40 Ų | 40 | 39.1 Ų | 39.1 | 20% | 0.197 | 23% | 0.227 | C | C | . | . | trans | -122.8 | 17.3 | -172.1 | -63 | -168.4 | 78.1 | 0 | 0 | 114.4 | L548 L591 M594 T598 A599 L601 | L548-M596 HydrophobicContact CD1-SD 4.11Å; L548-M596 HydrophobicContact CD2-SD 3.6Å; L591-M596 HydrophobicContact CD2-CB 4.33Å; L591-M596 PolarHBondContact O-N 3.35Å; M594-M596 HydrophobicContact CB-CG 4.22Å; M596-T598 PolarHBondContact O-N 3.27Å; M596-A599 HydrophobicContact CE-CB 4.33Å; M596-A599 PolarHBondContact O-N 3.42Å; M596-L601 HydrophobicContact CE-CD1 3.83Å; M596-L601 HydrophobicContact CE-CD2 4.09Å; M596-L601 HydrophobicContact CE-CG 4.43Å; M596-L601 HydrophobicContact SD-CD1 4.26Å | ||
| 597 | K | 85.3 | Confident | 92.3 | Very high | 57 Ų | 57 | 39.1 Ų | 39.1 | 25% | 0.248 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -26 | -175 | -146.3 | -176.4 | -153.5 | 160.5 | 0 | 114.8 | S588 L591 D592 E651 F652 | S588-K597 WeakPolarHBondContact OG-CE 3.38Å; S588-K597 PolarHBondContact OG-NZ 2.9Å; L591-K597 HydrophobicContact CB-CB 4.49Å; L591-K597 HydrophobicContact CB-CG 4.37Å; D592-K597 VanDerWaalsContact OD1-CD 3.26Å; D592-K597 WeakPolarHBondContact OD1-CD 3.36Å; D592-K597 IonicContact OD1-NZ 2.89Å; D592-K597 IonicContact OD2-NZ 3.7Å; D592-K597 PolarHBondContact OD2-NZ 3.48Å; K597-E651 WeakPolarHBondContact CE-OE2 3.4Å; K597-E651 IonicContact NZ-OE2 2.82Å; K597-E651 PolarHBondContact NZ-OE2 2.85Å; K597-F652 HydrophobicContact CG-CB 4.33Å |
| 598 | T | 82.2 | Confident | 92.1 | Very high | 147 Ų | 147 | 39.3 Ų | 39.3 | 90% | 0.902 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -5.1 | 179.3 | 60.4 | 0 | 0 | 0 | 0 | 114.2 | M596 | M596-T598 PolarHBondContact O-N 3.27Š|
| 599 | A | 82.9 | Confident | 91.9 | Very high | 31 Ų | 31 | 39.2 Ų | 39.2 | 26% | 0.256 | 23% | 0.228 | S | C | . | . | trans | -91.4 | 125.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | M596 L601 | M596-A599 HydrophobicContact CE-CB 4.33Å; M596-A599 PolarHBondContact O-N 3.42Å; A599-L601 HydrophobicContact CB-CD2 4.33Å; A599-L601 HydrophobicContact CB-CG 4.11Å; A599-L601 PolarHBondContact O-N 2.89Å | ||
| 600 | C | 87.4 | Confident | 91.6 | Very high | 81 Ų | 81 | 37 Ų | 37 | 55% | 0.547 | 22% | 0.216 | S | C | . | . | trans | -81.2 | 95.9 | 169.5 | -172.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 601 | L | 91.7 | Very high | 91.5 | Very high | 15 Ų | 15 | 37.3 Ų | 37.3 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 142.4 | -177.2 | -66.9 | 174.6 | 0 | 0 | 0 | 111.3 | D533 L535 L548 M596 A599 L654 D655 | D533-L601 HydrophobicContact CB-CD2 4.38Å; L535-L601 HydrophobicContact CD1-CB 3.94Å; L535-L601 HydrophobicContact CD1-CD1 4.05Å; L535-L601 HydrophobicContact CD2-CD1 4.23Å; L535-L601 HydrophobicContact CG-CB 4.04Å; L535-L601 HydrophobicContact CG-CD1 3.83Å; L548-L601 HydrophobicContact CD1-CD1 3.97Å; M596-L601 HydrophobicContact CE-CD1 3.83Å; M596-L601 HydrophobicContact CE-CD2 4.09Å; M596-L601 HydrophobicContact CE-CG 4.43Å; M596-L601 HydrophobicContact SD-CD1 4.26Å; A599-L601 HydrophobicContact CB-CD2 4.33Å; A599-L601 HydrophobicContact CB-CG 4.11Å; A599-L601 PolarHBondContact O-N 2.89Å; L601-L654 HydrophobicContact CB-CD2 4.35Å; L601-D655 PolarHBondContact O-N 3.46Å |
| 602 | P | 94.9 | Very high | 91.5 | Very high | 28 Ų | 28 | 43.2 Ų | 43.2 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 135.7 | 169.3 | -6.8 | 21.6 | 0 | 0 | 0 | 110.4 | F534 L535 D655 V657 T910 | F534-P602 HydrophobicContact CD1-CB 4.04Å; F534-P602 HydrophobicContact CD1-CG 4.1Å; F534-P602 HydrophobicContact CE1-CB 4.43Å; F534-P602 HydrophobicContact CE1-CG 4.23Å; L535-P602 PolarHBondContact N-O 3.5Å; P602-D655 CarbonylContact C-O 3.51Å; P602-D655 WeakPolarHBondContact CA-O 3.46Å; P602-V657 HydrophobicContact CB-CG2 3.69Å; P602-T910 HydrophobicContact CB-CG2 3.78Å |
| 603 | L | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.6 | -173.9 | -177.1 | 148.4 | 0 | 0 | 0 | 111.7 | L535 L537 F605 L642 L654 D655 V656 V657 A658 | L535-L603 HydrophobicContact CB-CB 4.2Å; L535-L603 HydrophobicContact CB-CD1 4.09Å; L535-L603 HydrophobicContact CB-CG 4.16Å; L535-L603 HydrophobicContact CD1-CD1 4.46Å; L535-L603 WeakPolarHBondContact O-CA 3.41Å; L537-L603 HydrophobicContact CD1-CD1 3.93Å; L537-L603 HydrophobicContact CD1-CD2 3.94Å; L537-L603 HydrophobicContact CD1-CG 4.46Å; L537-L603 HydrophobicContact CD2-CD1 4Å; L537-L603 HydrophobicContact CG-CD1 3.8Å; L537-L603 HydrophobicContact CG-CD2 3.99Å; L537-L603 HydrophobicContact CG-CG 4.16Å; L603-F605 HydrophobicContact CD2-CB 3.96Å; L603-L642 HydrophobicContact CD2-CD2 4.44Å; L603-L654 HydrophobicContact CD1-CD1 3.67Å; L603-D655 PolarHBondContact N-O 2.7Å; L603-V656 HydrophobicContact CD2-CG1 3.97Å; L603-V656 HydrophobicContact CD2-CG2 4.23Å; L603-V657 PolarHBondContact O-N 3.03Å; L603-A658 PolarHBondContact O-N 2.92Å |
| 604 | G | 96.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 126.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L535 A536 L537 T910 | L535-G604 PolarHBondContact O-N 3.5Å; A536-G604 CarbonylContact C-O 3.34Å; A536-G604 VanDerWaalsContact CA-O 3.22Å; A536-G604 WeakPolarHBondContact CA-O 3.43Å; L537-G604 PolarHBondContact N-O 3.01Å; G604-T910 WeakPolarHBondContact CA-OG1 3.44Å; G604-T910 PolarHBondContact N-OG1 3.04Å |
| 605 | F | 96.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 99.8 | -179.4 | -169.8 | 179 | 0 | 0 | 0 | 110.5 | L537 L539 F580 L603 F607 I638 L642 A658 I659 V660 | L537-F605 HydrophobicContact CB-CD2 3.66Å; L537-F605 HydrophobicContact CB-CE2 4.1Å; L537-F605 HydrophobicContact CB-CG 4.36Å; L537-F605 HydrophobicContact CD1-CD2 4.06Å; L537-F605 HydrophobicContact CD1-CE2 4.3Å; L537-F605 HydrophobicContact CD1-CG 4.18Å; L537-F605 HydrophobicContact CG-CD2 4.43Å; L539-F605 HydrophobicContact CB-CE2 3.93Å; L539-F605 HydrophobicContact CD2-CE2 4.35Å; L539-F605 HydrophobicContact CD2-CZ 4.22Å; F580-F605 HydrophobicContact CE1-CE1 4.05Å; F580-F605 HydrophobicContact CE1-CZ 4.24Å; L603-F605 HydrophobicContact CD2-CB 3.96Å; F605-F607 HydrophobicContact CD2-CB 4.17Å; F605-F607 HydrophobicContact CE1-CD2 4.4Å; F605-F607 HydrophobicContact CE2-CB 4.1Å; F605-F607 AromaticContact CE2-CD2 3.98Å; F605-F607 HydrophobicContact CE2-CD2 3.98Å; F605-F607 HydrophobicContact CZ-CB 4.42Å; F605-F607 AromaticContact CZ-CD2 3.74Å; F605-F607 HydrophobicContact CZ-CD2 3.74Å; F605-F607 HydrophobicContact CZ-CG 4.47Å; F605-F607 PolarHBondContact O-N 3.46Å; F605-I638 HydrophobicContact CD1-CG2 4.34Å; F605-I638 HydrophobicContact CE1-CG2 3.72Å; F605-I638 HydrophobicContact CZ-CG2 4.39Å; F605-L642 HydrophobicContact CD1-CD2 3.61Å; F605-L642 HydrophobicContact CE1-CB 4.45Å; F605-L642 HydrophobicContact CE1-CD2 3.84Å; F605-L642 HydrophobicContact CG-CD2 4.42Å; F605-A658 PolarHBondContact N-O 3.29Å; F605-I659 CarbonylContact O-C 3.54Å; F605-I659 WeakPolarHBondContact O-CA 3.21Å; F605-V660 PolarHBondContact O-N 3.26Å |
| 606 | T | 95.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 110.8 | 164 | -60.3 | 0 | 0 | 0 | 0 | 110 | L537 D538 L539 V660 D662 A906 | L537-T606 VanDerWaalsContact O-CA 3.32Å; L537-T606 WeakPolarHBondContact O-CA 3.49Å; L537-T606 WeakPolarHBondContact O-CB 3.35Å; L537-T606 PolarHBondContact O-N 3.28Å; D538-T606 WeakPolarHBondContact OD1-CG2 3.21Å; L539-T606 PolarHBondContact N-O 3.45Å; T606-V660 CarbonylContact C-O 3.6Å; T606-V660 WeakPolarHBondContact CA-O 3.36Å; T606-D662 HydrophobicContact CG2-CB 3.91Å; T606-A906 VanDerWaalsContact OG1-CB 3.31Å; T606-A906 WeakPolarHBondContact OG1-CB 3.47Å |
| 607 | F | 94.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 99.9 | 179.4 | -173.3 | -103.7 | 0 | 0 | 0 | 108.7 | L539 F605 F609 C611 L621 W624 I638 I659 V660 | L539-F607 HydrophobicContact CD2-CD2 3.87Å; L539-F607 HydrophobicContact CD2-CE2 3.84Å; L539-F607 HydrophobicContact CG-CD2 4.48Å; F605-F607 HydrophobicContact CD2-CB 4.17Å; F605-F607 HydrophobicContact CE1-CD2 4.4Å; F605-F607 HydrophobicContact CE2-CB 4.1Å; F605-F607 AromaticContact CE2-CD2 3.98Å; F605-F607 HydrophobicContact CE2-CD2 3.98Å; F605-F607 HydrophobicContact CZ-CB 4.42Å; F605-F607 AromaticContact CZ-CD2 3.74Å; F605-F607 HydrophobicContact CZ-CD2 3.74Å; F605-F607 HydrophobicContact CZ-CG 4.47Å; F605-F607 PolarHBondContact O-N 3.46Å; F607-F609 HydrophobicContact CD1-CB 4.03Å; F607-F609 AromaticContact CD1-CD2 3.87Å; F607-F609 HydrophobicContact CD1-CD2 3.87Å; F607-F609 HydrophobicContact CD1-CG 4.44Å; F607-F609 AromaticContact CD2-CD2 3.96Å; F607-F609 HydrophobicContact CD2-CD2 3.96Å; F607-F609 HydrophobicContact CD2-CE2 4.36Å; F607-F609 HydrophobicContact CE1-CB 3.64Å; F607-F609 AromaticContact CE1-CD2 3.61Å; F607-F609 HydrophobicContact CE1-CD2 3.61Å; F607-F609 HydrophobicContact CE1-CG 4Å; F607-F609 AromaticContact CE2-CD2 3.69Å; F607-F609 HydrophobicContact CE2-CD2 3.69Å; F607-F609 HydrophobicContact CE2-CE2 4.05Å; F607-F609 HydrophobicContact CG-CD2 4.05Å; F607-F609 HydrophobicContact CZ-CB 4.23Å; F607-F609 AromaticContact CZ-CD2 3.51Å; F607-F609 HydrophobicContact CZ-CD2 3.51Å; F607-F609 HydrophobicContact CZ-CE2 4.23Å; F607-F609 HydrophobicContact CZ-CG 4.13Å; F607-F609 PolarHBondContact O-N 2.83Å; F607-C611 VanDerWaalsContact CD1-SG 3.52Å; F607-L621 HydrophobicContact CE1-CD1 4.02Å; F607-L621 HydrophobicContact CZ-CD1 4.46Å; F607-W624 HydrophobicContact CE2-CH2 4Å; F607-W624 HydrophobicContact CE2-CZ3 4.16Å; F607-W624 AromaticContact CZ-CH2 3.61Å; F607-W624 HydrophobicContact CZ-CH2 3.61Å; F607-W624 AromaticContact CZ-CZ3 3.66Å; F607-W624 HydrophobicContact CZ-CZ3 3.66Å; F607-I638 HydrophobicContact CD1-CG1 4.39Å; F607-I638 HydrophobicContact CD1-CG2 4.3Å; F607-I638 HydrophobicContact CD2-CG2 4.08Å; F607-I638 HydrophobicContact CE1-CD1 4.31Å; F607-I638 HydrophobicContact CE1-CG1 3.81Å; F607-I638 HydrophobicContact CE1-CG2 4.27Å; F607-I638 HydrophobicContact CE2-CG2 4.1Å; F607-I638 HydrophobicContact CG-CG2 4.18Å; F607-I638 HydrophobicContact CZ-CD1 4.06Å; F607-I638 HydrophobicContact CZ-CG1 4.01Å; F607-I638 HydrophobicContact CZ-CG2 4.19Å; F607-I659 HydrophobicContact CB-CD1 3.97Å; F607-I659 HydrophobicContact CB-CG1 3.95Å; F607-I659 HydrophobicContact CD1-CD1 4.22Å; F607-I659 HydrophobicContact CG-CD1 4.29Å; F607-V660 PolarHBondContact N-O 3.33Å |
| 608 | S | 90.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | trans | -80.2 | 51.3 | -169.3 | -51.9 | 0 | 0 | 0 | 0 | 113.5 | L539 K626 D662 | L539-S608 PolarHBondContact O-N 3.07Å; L539-S608 PolarHBondContact O-OG 2.95Å; S608-K626 WeakPolarHBondContact O-CE 3.28Å; S608-K626 PolarHBondContact O-NZ 3.2Å; S608-D662 VanDerWaalsContact CB-CG 3.46Å; S608-D662 WeakPolarHBondContact CB-OD2 3.33Å; S608-D662 WeakPolarHBondContact OG-CB 3.23Å; S608-D662 PolarHBondContact OG-OD2 3.46Å | ||
| 609 | F | 90.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.009 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -135.9 | 159.6 | 178.5 | -56.9 | -86.5 | 0 | 0 | 0 | 110.6 | L539 F607 C611 L621 W624 F628 | L539-F609 HydrophobicContact CG-CE2 4.49Å; F607-F609 HydrophobicContact CD1-CB 4.03Å; F607-F609 AromaticContact CD1-CD2 3.87Å; F607-F609 HydrophobicContact CD1-CD2 3.87Å; F607-F609 HydrophobicContact CD1-CG 4.44Å; F607-F609 AromaticContact CD2-CD2 3.96Å; F607-F609 HydrophobicContact CD2-CD2 3.96Å; F607-F609 HydrophobicContact CD2-CE2 4.36Å; F607-F609 HydrophobicContact CE1-CB 3.64Å; F607-F609 AromaticContact CE1-CD2 3.61Å; F607-F609 HydrophobicContact CE1-CD2 3.61Å; F607-F609 HydrophobicContact CE1-CG 4Å; F607-F609 AromaticContact CE2-CD2 3.69Å; F607-F609 HydrophobicContact CE2-CD2 3.69Å; F607-F609 HydrophobicContact CE2-CE2 4.05Å; F607-F609 HydrophobicContact CG-CD2 4.05Å; F607-F609 HydrophobicContact CZ-CB 4.23Å; F607-F609 AromaticContact CZ-CD2 3.51Å; F607-F609 HydrophobicContact CZ-CD2 3.51Å; F607-F609 HydrophobicContact CZ-CE2 4.23Å; F607-F609 HydrophobicContact CZ-CG 4.13Å; F607-F609 PolarHBondContact O-N 2.83Å; F609-C611 PolarHBondContact O-N 3.04Å; F609-L621 HydrophobicContact CB-CD1 3.83Å; F609-W624 AromaticContact CD1-CE3 3.55Å; F609-W624 HydrophobicContact CD1-CE3 3.55Å; F609-W624 AromaticContact CD1-CZ3 3.78Å; F609-W624 HydrophobicContact CD1-CZ3 3.78Å; F609-W624 HydrophobicContact CD2-CE3 4.29Å; F609-W624 AromaticContact CD2-CZ3 3.67Å; F609-W624 HydrophobicContact CD2-CZ3 3.67Å; F609-W624 AromaticContact CE1-CE3 3.62Å; F609-W624 HydrophobicContact CE1-CE3 3.62Å; F609-W624 AromaticContact CE1-CZ3 3.74Å; F609-W624 HydrophobicContact CE1-CZ3 3.74Å; F609-W624 HydrophobicContact CE2-CE3 4.37Å; F609-W624 AromaticContact CE2-CZ3 3.65Å; F609-W624 HydrophobicContact CE2-CZ3 3.65Å; F609-W624 AromaticContact CG-CE3 3.89Å; F609-W624 HydrophobicContact CG-CE3 3.89Å; F609-W624 AromaticContact CG-CZ3 3.74Å; F609-W624 HydrophobicContact CG-CZ3 3.74Å; F609-W624 HydrophobicContact CZ-CE3 4.06Å; F609-W624 AromaticContact CZ-CZ3 3.68Å; F609-W624 HydrophobicContact CZ-CZ3 3.68Å; F609-F628 HydrophobicContact CE1-CB 4.12Å; F609-F628 AromaticContact CE1-CD2 3.81Å; F609-F628 HydrophobicContact CE1-CD2 3.81Å; F609-F628 HydrophobicContact CE1-CG 4.1Å; F609-F628 HydrophobicContact CZ-CB 4.26Å; F609-F628 HydrophobicContact CZ-CD1 4.37Å; F609-F628 AromaticContact CZ-CD2 3.39Å; F609-F628 HydrophobicContact CZ-CD2 3.39Å; F609-F628 AromaticContact CZ-CE2 3.71Å; F609-F628 HydrophobicContact CZ-CE2 3.71Å; F609-F628 AromaticContact CZ-CG 3.76Å; F609-F628 HydrophobicContact CZ-CG 3.76Å; F609-F628 HydrophobicContact CZ-CZ 4.34Å |
| 610 | P | 90.3 | Very high | 92.9 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 6% | 0.058 | 14% | 0.143 | C | C | . | . | trans | -60.8 | 106.3 | 177.1 | -20.3 | 29.6 | 0 | 0 | 0 | 111.6 | L518 L622 T623 T625 E713 | L518-P610 HydrophobicContact CD1-CB 4.47Å; P610-L622 HydrophobicContact CB-CB 4.27Å; P610-L622 HydrophobicContact CB-CD1 4.46Å; P610-L622 WeakPolarHBondContact O-CB 3.39Å; P610-L622 PolarHBondContact O-N 3.04Å; P610-T623 HydrophobicContact CG-CG2 4.47Å; P610-T625 HydrophobicContact CG-CG2 3.89Å; P610-E713 HydrophobicContact CB-CG 3.99Å; P610-E713 HydrophobicContact CG-CG 4.22Å; P610-E713 WeakPolarHBondContact CG-OE2 3.47Å | ||
| 611 | C | 93.1 | Very high | 93.2 | Very high | 9 Ų | 9 | 21.6 Ų | 21.6 | 6% | 0.061 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 126.6 | 176.5 | -77.4 | 0 | 0 | 0 | 0 | 111.2 | F607 F609 Q613 I620 | F607-C611 VanDerWaalsContact CD1-SG 3.52Å; F609-C611 PolarHBondContact O-N 3.04Å; C611-Q613 PolarHBondContact O-N 3.33Å; C611-I620 CarbonylContact C-O 3.57Å; C611-I620 VanDerWaalsContact CA-O 3.28Å; C611-I620 WeakPolarHBondContact CA-O 3.38Å |
| 612 | R | 93.7 | Very high | 93.2 | Very high | 127 Ų | 127 | 24 Ų | 24 | 48% | 0.479 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 102.9 | 166.3 | -178 | 172.3 | 65.2 | 94.2 | -1.1 | 108.4 | I620 L622 | R612-I620 PolarHBondContact N-O 3.27Å; R612-I620 VanDerWaalsContact NH2-CD1 3.31Å; R612-I620 PolarHBondContact O-N 2.87Å; R612-L622 HydrophobicContact CB-CD1 4.32Å; R612-L622 HydrophobicContact CB-CD2 3.79Å; R612-L622 HydrophobicContact CB-CG 4.11Å |
| 613 | Q | 93.3 | Very high | 92.9 | Very high | 19 Ų | 19 | 25.8 Ų | 25.8 | 9% | 0.089 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 140.1 | 177 | -63.7 | -171.6 | -103.9 | 0 | 0 | 110.6 | Y521 C611 G615 A618 I659 | Y521-Q613 HydrophobicContact CD2-CB 3.78Å; Y521-Q613 HydrophobicContact CE2-CB 3.83Å; Y521-Q613 WeakPolarHBondContact CE2-O 3.47Å; C611-Q613 PolarHBondContact O-N 3.33Å; Q613-G615 PolarHBondContact NE2-O 3.04Å; Q613-A618 WeakPolarHBondContact CA-O 3.48Å; Q613-I659 HydrophobicContact CG-CG2 4.39Å; Q613-I659 PolarHBondContact NE2-O 2.89Å |
| 614 | T | 89.8 | Confident | 92.7 | Very high | 80 Ų | 80 | 26.6 Ų | 26.6 | 49% | 0.491 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -11.6 | 169.2 | 52.3 | 0 | 0 | 0 | 0 | 111.7 | Y521 A618 | Y521-T614 VanDerWaalsContact CZ-C 3.43Å; Y521-T614 PolarHBondContact OH-O 3.48Å; T614-A618 PolarHBondContact N-O 3.08Å |
| 615 | G | 91.1 | Very high | 92.1 | Very high | 15 Ų | 15 | 27 Ų | 27 | 16% | 0.155 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 179.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q613 D617 A618 | Q613-G615 PolarHBondContact NE2-O 3.04Å; G615-D617 VanDerWaalsContact C-N 3.29Å; G615-D617 PolarHBondContact O-N 3.2Å; G615-A618 VanDerWaalsContact O-O 3.1Å |
| 616 | L | 91 | Very high | 91.4 | Very high | 35 Ų | 35 | 27.9 Ų | 27.9 | 18% | 0.183 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -31.7 | -179.2 | -167.4 | 62.5 | 0 | 0 | 0 | 112 | V522 A658 I659 I909 A913 | V522-L616 HydrophobicContact CG2-CD1 3.99Å; L616-A658 HydrophobicContact CD1-CB 4.33Å; L616-A658 HydrophobicContact CD2-CB 4.28Å; L616-A658 HydrophobicContact CG-CB 3.86Å; L616-A658 CarbonylContact O-C 3.43Å; L616-A658 VanDerWaalsContact O-CA 3.25Å; L616-A658 WeakPolarHBondContact O-CA 3.28Å; L616-I659 PolarHBondContact O-N 3.49Å; L616-I909 HydrophobicContact CD1-CG2 4.07Å; L616-I909 HydrophobicContact CD2-CG2 4.26Å; L616-A913 HydrophobicContact CD2-CB 3.4Å |
| 617 | D | 92.3 | Very high | 90.8 | Very high | 50 Ų | 50 | 28.8 Ų | 28.8 | 27% | 0.267 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 21.9 | -178.2 | 72.1 | -43.6 | 0 | 0 | 0 | 114.2 | G615 V639 R643 V657 R917 | G615-D617 VanDerWaalsContact C-N 3.29Å; G615-D617 PolarHBondContact O-N 3.2Å; D617-V639 WeakPolarHBondContact O-CB 3.25Å; D617-V639 WeakPolarHBondContact O-CG1 3.48Å; D617-V639 WeakPolarHBondContact O-CG2 3.31Å; D617-R643 IonicContact OD2-NH2 3.74Å; D617-R643 PolarHBondContact OD2-NH2 3.17Å; D617-V657 WeakPolarHBondContact CB-O 3.27Å; D617-R917 IonicContact OD2-NH2 3.98Å |
| 618 | A | 93.2 | Very high | 90.5 | Very high | 19 Ų | 19 | 29.1 Ų | 29.1 | 16% | 0.157 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 129.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q613 T614 G615 | Q613-A618 WeakPolarHBondContact CA-O 3.48Å; T614-A618 PolarHBondContact N-O 3.08Å; G615-A618 VanDerWaalsContact O-O 3.1Å |
| 619 | G | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 111.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D637 I638 | G619-D637 PolarHBondContact N-OD1 2.69Å; G619-I638 PolarHBondContact O-N 3.41Å |
| 620 | I | 95.8 | Very high | 90.5 | Very high | 38 Ų | 38 | 35.2 Ų | 35.2 | 20% | 0.195 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 118.5 | 177.8 | -61.6 | 167.1 | 0 | 0 | 0 | 108.7 | C611 R612 L622 E636 | C611-I620 CarbonylContact C-O 3.57Å; C611-I620 VanDerWaalsContact CA-O 3.28Å; C611-I620 WeakPolarHBondContact CA-O 3.38Å; R612-I620 PolarHBondContact N-O 3.27Å; R612-I620 VanDerWaalsContact NH2-CD1 3.31Å; R612-I620 PolarHBondContact O-N 2.87Å; I620-L622 PolarHBondContact O-N 3.48Å; I620-E636 WeakPolarHBondContact CA-O 3.45Å |
| 621 | L | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 122.8 | 175.3 | 171 | 65.4 | 0 | 0 | 0 | 109.8 | F607 F609 T623 W624 C633 E634 S635 E636 I638 | F607-L621 HydrophobicContact CE1-CD1 4.02Å; F607-L621 HydrophobicContact CZ-CD1 4.46Å; F609-L621 HydrophobicContact CB-CD1 3.83Å; L621-T623 WeakPolarHBondContact CD1-O 3.18Å; L621-W624 HydrophobicContact CD2-CD2 3.75Å; L621-W624 VanDerWaalsContact CD2-CE2 3.48Å; L621-W624 HydrophobicContact CD2-CE3 4.13Å; L621-W624 HydrophobicContact CD2-CG 4.3Å; L621-W624 HydrophobicContact CD2-CH2 4.06Å; L621-W624 HydrophobicContact CD2-CZ2 3.67Å; L621-W624 HydrophobicContact CD2-CZ3 4.27Å; L621-C633 HydrophobicContact CD2-CB 3.77Å; L621-E634 HydrophobicContact CD2-CG 4.06Å; L621-E634 HydrophobicContact CG-CG 4.35Å; L621-S635 PolarHBondContact O-N 3.3Å; L621-E636 PolarHBondContact N-O 2.89Å; L621-E636 VanDerWaalsContact N-O 3.12Å; L621-I638 HydrophobicContact CB-CD1 3.7Å; L621-I638 HydrophobicContact CB-CG1 3.81Å; L621-I638 HydrophobicContact CD2-CD1 4.23Å |
| 622 | L | 91.1 | Very high | 90.7 | Very high | 66 Ų | 66 | 41.4 Ų | 41.4 | 35% | 0.346 | 24% | 0.235 | S | C | . | . | trans | -81.3 | -50.1 | 179.4 | -66.4 | 178.5 | 0 | 0 | 0 | 111.5 | L518 P610 R612 I620 | L518-L622 HydrophobicContact CD1-CD1 4.15Å; L518-L622 HydrophobicContact CD2-CD1 4.16Å; P610-L622 HydrophobicContact CB-CB 4.27Å; P610-L622 HydrophobicContact CB-CD1 4.46Å; P610-L622 WeakPolarHBondContact O-CB 3.39Å; P610-L622 PolarHBondContact O-N 3.04Å; R612-L622 HydrophobicContact CB-CD1 4.32Å; R612-L622 HydrophobicContact CB-CD2 3.79Å; R612-L622 HydrophobicContact CB-CG 4.11Å; I620-L622 PolarHBondContact O-N 3.48Å | ||
| 623 | T | 89.7 | Confident | 90.7 | Very high | 66 Ų | 66 | 35.3 Ų | 35.3 | 41% | 0.405 | 21% | 0.212 | S | C | . | . | trans | -160.7 | 149 | 177.1 | -169.7 | 0 | 0 | 0 | 0 | 110.9 | P610 L621 E634 | P610-T623 HydrophobicContact CG-CG2 4.47Å; L621-T623 WeakPolarHBondContact CD1-O 3.18Å; T623-E634 WeakPolarHBondContact CA-OE1 3.49Å; T623-E634 PolarHBondContact OG1-OE1 2.96Å | ||
| 624 | W | 90.2 | Very high | 90.7 | Very high | 17 Ų | 17 | 38.6 Ų | 38.6 | 6% | 0.064 | 23% | 0.227 | C | C | . | . | trans | -69 | 145.4 | 170.3 | -74.7 | 120.3 | 0 | 0 | 0 | 112.1 | L579 F607 F609 L621 F628 A630 C633 E634 | L579-W624 HydrophobicContact CD2-CH2 4.06Å; L579-W624 HydrophobicContact CD2-CZ2 4.18Å; F607-W624 HydrophobicContact CE2-CH2 4Å; F607-W624 HydrophobicContact CE2-CZ3 4.16Å; F607-W624 AromaticContact CZ-CH2 3.61Å; F607-W624 HydrophobicContact CZ-CH2 3.61Å; F607-W624 AromaticContact CZ-CZ3 3.66Å; F607-W624 HydrophobicContact CZ-CZ3 3.66Å; F609-W624 AromaticContact CD1-CE3 3.55Å; F609-W624 HydrophobicContact CD1-CE3 3.55Å; F609-W624 AromaticContact CD1-CZ3 3.78Å; F609-W624 HydrophobicContact CD1-CZ3 3.78Å; F609-W624 HydrophobicContact CD2-CE3 4.29Å; F609-W624 AromaticContact CD2-CZ3 3.67Å; F609-W624 HydrophobicContact CD2-CZ3 3.67Å; F609-W624 AromaticContact CE1-CE3 3.62Å; F609-W624 HydrophobicContact CE1-CE3 3.62Å; F609-W624 AromaticContact CE1-CZ3 3.74Å; F609-W624 HydrophobicContact CE1-CZ3 3.74Å; F609-W624 HydrophobicContact CE2-CE3 4.37Å; F609-W624 AromaticContact CE2-CZ3 3.65Å; F609-W624 HydrophobicContact CE2-CZ3 3.65Å; F609-W624 AromaticContact CG-CE3 3.89Å; F609-W624 HydrophobicContact CG-CE3 3.89Å; F609-W624 AromaticContact CG-CZ3 3.74Å; F609-W624 HydrophobicContact CG-CZ3 3.74Å; F609-W624 HydrophobicContact CZ-CE3 4.06Å; F609-W624 AromaticContact CZ-CZ3 3.68Å; F609-W624 HydrophobicContact CZ-CZ3 3.68Å; L621-W624 HydrophobicContact CD2-CD2 3.75Å; L621-W624 VanDerWaalsContact CD2-CE2 3.48Å; L621-W624 HydrophobicContact CD2-CE3 4.13Å; L621-W624 HydrophobicContact CD2-CG 4.3Å; L621-W624 HydrophobicContact CD2-CH2 4.06Å; L621-W624 HydrophobicContact CD2-CZ2 3.67Å; L621-W624 HydrophobicContact CD2-CZ3 4.27Å; W624-F628 WeakPolarHBondContact CB-O 3.22Å; W624-F628 HydrophobicContact CD2-CB 3.79Å; W624-F628 HydrophobicContact CE3-CB 3.42Å; W624-F628 VanDerWaalsContact CE3-CB 3.42Å; W624-F628 HydrophobicContact CE3-CG 4.18Å; W624-F628 HydrophobicContact CG-CB 4.34Å; W624-F628 HydrophobicContact CH2-CB 4.44Å; W624-F628 HydrophobicContact CH2-CD1 4.28Å; W624-F628 HydrophobicContact CZ3-CB 3.79Å; W624-F628 HydrophobicContact CZ3-CD1 4.12Å; W624-F628 HydrophobicContact CZ3-CG 4.07Å; W624-A630 HydrophobicContact CZ2-CB 4.2Å; W624-A630 PolarHBondContact NE1-O 2.94Å; W624-C633 HydrophobicContact CZ2-CB 3.6Å; W624-E634 HydrophobicContact CG-CG 4.44Å; W624-E634 PolarHBondContact N-OE1 2.68Å | ||
| 625 | T | 83.4 | Confident | 90.9 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | trans | -130.5 | 174.8 | 172.9 | 66 | 0 | 0 | 0 | 0 | 109.8 | P610 G627 Q744 | P610-T625 HydrophobicContact CG-CG2 3.89Å; T625-G627 PolarHBondContact O-N 2.91Å; T625-Q744 HydrophobicContact CG2-CG 4.39Å | ||
| 626 | K | 82.6 | Confident | 91.1 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 8% | 0.083 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | -119.9 | -179.9 | -59.8 | 164.2 | -87.7 | 178.2 | 0 | 111 | G540 S608 M753 | G540-K626 PolarHBondContact O-NZ 2.84Å; S608-K626 WeakPolarHBondContact O-CE 3.28Å; S608-K626 PolarHBondContact O-NZ 3.2Å; K626-M753 HydrophobicContact CB-SD 4.4Å |
| 627 | G | 81 | Confident | 91.3 | Very high | 18 Ų | 18 | 43.8 Ų | 43.8 | 19% | 0.186 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 2.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | T625 | T625-G627 PolarHBondContact O-N 2.91Š|
| 628 | F | 88.1 | Confident | 91.5 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 4% | 0.039 | 24% | 0.24 | C | C | . | . | trans | -85.9 | 146.3 | -178.2 | -77.4 | -102 | 0 | 0 | 0 | 111.4 | L539 I567 M572 L579 F609 W624 | L539-F628 HydrophobicContact CD1-CE1 4.29Å; L539-F628 HydrophobicContact CD1-CZ 3.98Å; I567-F628 HydrophobicContact CD1-CE1 4.48Å; I567-F628 HydrophobicContact CD1-CZ 4.41Å; M572-F628 HydrophobicContact CB-CD1 4.25Å; M572-F628 HydrophobicContact CB-CE1 4.33Å; M572-F628 HydrophobicContact CE-CD1 4.32Å; M572-F628 HydrophobicContact CE-CD2 3.55Å; M572-F628 HydrophobicContact CE-CE1 4.19Å; M572-F628 HydrophobicContact CE-CE2 3.41Å; M572-F628 VanDerWaalsContact CE-CE2 3.41Å; M572-F628 HydrophobicContact CE-CG 4.03Å; M572-F628 HydrophobicContact CE-CZ 3.75Å; M572-F628 HydrophobicContact CG-CD1 4.33Å; M572-F628 HydrophobicContact CG-CE1 3.91Å; M572-F628 HydrophobicContact CG-CZ 4.12Å; M572-F628 HydrophobicContact SD-CE2 4.49Å; M572-F628 HydrophobicContact SD-CZ 4.31Å; L579-F628 HydrophobicContact CD1-CE1 4.28Å; L579-F628 HydrophobicContact CD2-CD1 4.42Å; F609-F628 HydrophobicContact CE1-CB 4.12Å; F609-F628 AromaticContact CE1-CD2 3.81Å; F609-F628 HydrophobicContact CE1-CD2 3.81Å; F609-F628 HydrophobicContact CE1-CG 4.1Å; F609-F628 HydrophobicContact CZ-CB 4.26Å; F609-F628 HydrophobicContact CZ-CD1 4.37Å; F609-F628 AromaticContact CZ-CD2 3.39Å; F609-F628 HydrophobicContact CZ-CD2 3.39Å; F609-F628 AromaticContact CZ-CE2 3.71Å; F609-F628 HydrophobicContact CZ-CE2 3.71Å; F609-F628 AromaticContact CZ-CG 3.76Å; F609-F628 HydrophobicContact CZ-CG 3.76Å; F609-F628 HydrophobicContact CZ-CZ 4.34Å; W624-F628 WeakPolarHBondContact CB-O 3.22Å; W624-F628 HydrophobicContact CD2-CB 3.79Å; W624-F628 HydrophobicContact CE3-CB 3.42Å; W624-F628 VanDerWaalsContact CE3-CB 3.42Å; W624-F628 HydrophobicContact CE3-CG 4.18Å; W624-F628 HydrophobicContact CG-CB 4.34Å; W624-F628 HydrophobicContact CH2-CB 4.44Å; W624-F628 HydrophobicContact CH2-CD1 4.28Å; W624-F628 HydrophobicContact CZ3-CB 3.79Å; W624-F628 HydrophobicContact CZ3-CD1 4.12Å; W624-F628 HydrophobicContact CZ3-CG 4.07Å | ||
| 629 | K | 89.8 | Confident | 91.5 | Very high | 133 Ų | 133 | 40.5 Ų | 40.5 | 58% | 0.578 | 23% | 0.232 | S | C | * | . | trans | -155.1 | 25.4 | 176.4 | -152 | 178.4 | 177.2 | 176 | 0 | 113.7 | M572 Q573 T631 | M572-K629 PolarHBondContact O-N 3.39Å; Q573-K629 HydrophobicContact CG-CB 4.37Å; K629-T631 PolarHBondContact O-N 3.33Å | ||
| 630 | A | 92.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.017 | 24% | 0.241 | C | C | . | . | trans | -58.9 | 128 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | M572 G574 L579 W624 | M572-A630 PolarHBondContact O-N 3.47Å; G574-A630 CarbonylContact O-C 3.55Å; G574-A630 VanDerWaalsContact O-CA 3.23Å; G574-A630 WeakPolarHBondContact O-CA 3.41Å; L579-A630 HydrophobicContact CB-CB 4.34Å; L579-A630 HydrophobicContact CD2-CB 3.88Å; W624-A630 HydrophobicContact CZ2-CB 4.2Å; W624-A630 PolarHBondContact NE1-O 2.94Å | ||
| 631 | T | 93.3 | Very high | 91.5 | Very high | 90 Ų | 90 | 41.3 Ų | 41.3 | 55% | 0.552 | 24% | 0.241 | S | C | * | . | B | Isolated β-bridge | trans | -78.1 | 145.6 | -175.4 | 59.6 | 0 | 0 | 0 | 0 | 111.8 | G574 G576 K629 | G574-T631 PolarHBondContact O-N 3.37Å; G576-T631 PolarHBondContact N-O 2.88Å; K629-T631 PolarHBondContact O-N 3.33Å |
| 632 | G | 93.4 | Very high | 91.6 | Very high | 58 Ų | 58 | 41.3 Ų | 41.3 | 60% | 0.598 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | 18.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 633 | C | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -107.2 | -38.6 | 172.2 | -59.2 | 0 | 0 | 0 | 0 | 113.1 | G576 L621 W624 E636 I638 L641 | G576-C633 WeakPolarHBondContact CA-SG 3.43Å; L621-C633 HydrophobicContact CD2-CB 3.77Å; W624-C633 HydrophobicContact CZ2-CB 3.6Å; C633-E636 WeakPolarHBondContact O-CB 3.4Å; C633-E636 PolarHBondContact O-N 2.91Å; C633-E636 VanDerWaalsContact O-N 3.14Å; C633-I638 HydrophobicContact CB-CD1 4.45Å; C633-L641 HydrophobicContact CB-CD1 4.41Å | ||
| 634 | E | 93.5 | Very high | 92 | Very high | 88 Ų | 88 | 42.3 Ų | 42.3 | 41% | 0.411 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 137.8 | -179.5 | -66.5 | -176.3 | 145.5 | 0 | 0 | 110.2 | L621 T623 W624 E636 | L621-E634 HydrophobicContact CD2-CG 4.06Å; L621-E634 HydrophobicContact CG-CG 4.35Å; T623-E634 WeakPolarHBondContact CA-OE1 3.49Å; T623-E634 PolarHBondContact OG1-OE1 2.96Å; W624-E634 HydrophobicContact CG-CG 4.44Å; W624-E634 PolarHBondContact N-OE1 2.68Å; E634-E636 PolarHBondContact O-N 2.89Å |
| 635 | S | 93.5 | Very high | 92.2 | Very high | 93 Ų | 93 | 41.5 Ų | 41.5 | 65% | 0.65 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 2 | -170.9 | -48.9 | 0 | 0 | 0 | 0 | 116.1 | L621 | L621-S635 PolarHBondContact O-N 3.3Š|
| 636 | E | 95.9 | Very high | 92.6 | Very high | 100 Ų | 100 | 41.9 Ų | 41.9 | 47% | 0.467 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -99.2 | 155.1 | 175.6 | -63.5 | -59.6 | 150.9 | 0 | 0 | 112.1 | I620 L621 C633 E634 I638 L641 | I620-E636 WeakPolarHBondContact CA-O 3.45Å; L621-E636 PolarHBondContact N-O 2.89Å; L621-E636 VanDerWaalsContact N-O 3.12Å; C633-E636 WeakPolarHBondContact O-CB 3.4Å; C633-E636 PolarHBondContact O-N 2.91Å; C633-E636 VanDerWaalsContact O-N 3.14Å; E634-E636 PolarHBondContact O-N 2.89Å; E636-I638 PolarHBondContact O-N 3.2Å; E636-L641 HydrophobicContact CB-CD1 4.01Å; E636-L641 HydrophobicContact CB-CG 4.36Å |
| 637 | D | 95.6 | Very high | 93.1 | Very high | 45 Ų | 45 | 47.7 Ų | 47.7 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -76.7 | 111.7 | 172.5 | 178.8 | 22.7 | 0 | 0 | 0 | 110.4 | G619 V639 G640 L641 | G619-D637 PolarHBondContact N-OD1 2.69Å; D637-V639 PolarHBondContact O-N 2.87Å; D637-V639 PolarHBondContact OD1-N 2.76Å; D637-G640 WeakPolarHBondContact O-CA 3.12Å; D637-G640 PolarHBondContact O-N 3.21Å; D637-G640 PolarHBondContact OD2-N 2.75Å; D637-L641 PolarHBondContact O-N 2.8Å |
| 638 | I | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.5 | -33.8 | -176.9 | -63.7 | -51.3 | 0 | 0 | 0 | 112 | F580 F605 F607 G619 L621 C633 E636 G640 L641 L642 I659 | F580-I638 HydrophobicContact CE1-CG2 4.05Å; F580-I638 HydrophobicContact CE2-CD1 4.48Å; F580-I638 HydrophobicContact CZ-CD1 4.1Å; F580-I638 HydrophobicContact CZ-CG2 3.83Å; F605-I638 HydrophobicContact CD1-CG2 4.34Å; F605-I638 HydrophobicContact CE1-CG2 3.72Å; F605-I638 HydrophobicContact CZ-CG2 4.39Å; F607-I638 HydrophobicContact CD1-CG1 4.39Å; F607-I638 HydrophobicContact CD1-CG2 4.3Å; F607-I638 HydrophobicContact CD2-CG2 4.08Å; F607-I638 HydrophobicContact CE1-CD1 4.31Å; F607-I638 HydrophobicContact CE1-CG1 3.81Å; F607-I638 HydrophobicContact CE1-CG2 4.27Å; F607-I638 HydrophobicContact CE2-CG2 4.1Å; F607-I638 HydrophobicContact CG-CG2 4.18Å; F607-I638 HydrophobicContact CZ-CD1 4.06Å; F607-I638 HydrophobicContact CZ-CG1 4.01Å; F607-I638 HydrophobicContact CZ-CG2 4.19Å; G619-I638 PolarHBondContact O-N 3.41Å; L621-I638 HydrophobicContact CB-CD1 3.7Å; L621-I638 HydrophobicContact CB-CG1 3.81Å; L621-I638 HydrophobicContact CD2-CD1 4.23Å; C633-I638 HydrophobicContact CB-CD1 4.45Å; E636-I638 PolarHBondContact O-N 3.2Å; I638-G640 VanDerWaalsContact C-N 3.35Å; I638-L641 HydrophobicContact CD1-CD1 4.13Å; I638-L641 PolarHBondContact O-N 2.72Å; I638-L642 PolarHBondContact O-N 2.67Å; I638-L642 VanDerWaalsContact O-N 3.07Å; I638-I659 HydrophobicContact CB-CD1 3.85Å; I638-I659 HydrophobicContact CG2-CD1 3.79Å |
| 639 | V | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.8 | -37.2 | 175.9 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | D617 D637 L642 R643 V656 I659 | D617-V639 WeakPolarHBondContact O-CB 3.25Å; D617-V639 WeakPolarHBondContact O-CG1 3.48Å; D617-V639 WeakPolarHBondContact O-CG2 3.31Å; D637-V639 PolarHBondContact O-N 2.87Å; D637-V639 PolarHBondContact OD1-N 2.76Å; V639-L642 PolarHBondContact O-N 3.16Å; V639-R643 HydrophobicContact CG1-CG 4.36Å; V639-R643 WeakPolarHBondContact O-CB 3.25Å; V639-R643 VanDerWaalsContact O-CG 3.23Å; V639-R643 WeakPolarHBondContact O-CG 3.46Å; V639-R643 PolarHBondContact O-N 3.07Å; V639-V656 HydrophobicContact CG1-CB 3.97Å; V639-V656 HydrophobicContact CG1-CG1 3.65Å; V639-V656 HydrophobicContact CG2-CG1 4.39Å; V639-I659 HydrophobicContact CG2-CB 3.82Å; V639-I659 HydrophobicContact CG2-CD1 4.22Å; V639-I659 HydrophobicContact CG2-CG2 4.01Å |
| 640 | G | 94.6 | Very high | 93.4 | Very high | 18 Ų | 18 | 55.8 Ų | 55.8 | 19% | 0.186 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.4 | -51.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D637 I638 L642 R643 D644 | D637-G640 WeakPolarHBondContact O-CA 3.12Å; D637-G640 PolarHBondContact O-N 3.21Å; D637-G640 PolarHBondContact OD2-N 2.75Å; I638-G640 VanDerWaalsContact C-N 3.35Å; G640-L642 VanDerWaalsContact C-N 3.33Å; G640-L642 PolarHBondContact O-N 2.87Å; G640-R643 PolarHBondContact O-N 3.37Å; G640-R643 VanDerWaalsContact O-N 3.13Å; G640-D644 PolarHBondContact O-N 3.15Å |
| 641 | L | 95.6 | Very high | 93.1 | Very high | 38 Ų | 38 | 60.6 Ų | 60.6 | 20% | 0.199 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.5 | -42.8 | 178.4 | -65.8 | 178.2 | 0 | 0 | 0 | 112.5 | F580 C633 E636 D637 I638 D644 S645 | F580-L641 HydrophobicContact CD1-CB 4.47Å; F580-L641 HydrophobicContact CD2-CB 3.68Å; F580-L641 HydrophobicContact CD2-CD1 4.05Å; F580-L641 HydrophobicContact CD2-CG 4.47Å; F580-L641 HydrophobicContact CE1-CB 4.5Å; F580-L641 HydrophobicContact CE2-CB 3.74Å; F580-L641 HydrophobicContact CE2-CD1 3.57Å; F580-L641 HydrophobicContact CE2-CG 4.32Å; F580-L641 HydrophobicContact CG-CB 4.1Å; F580-L641 HydrophobicContact CZ-CB 4.19Å; F580-L641 HydrophobicContact CZ-CD1 4.33Å; C633-L641 HydrophobicContact CB-CD1 4.41Å; E636-L641 HydrophobicContact CB-CD1 4.01Å; E636-L641 HydrophobicContact CB-CG 4.36Å; D637-L641 PolarHBondContact O-N 2.8Å; I638-L641 HydrophobicContact CD1-CD1 4.13Å; I638-L641 PolarHBondContact O-N 2.72Å; L641-D644 PolarHBondContact O-N 2.64Å; L641-S645 PolarHBondContact O-N 2.93Å |
| 642 | L | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 175.1 | 179.3 | 61.7 | 0 | 0 | 0 | 111.5 | L537 F580 I583 V584 I587 L603 F605 I638 V639 G640 D644 S645 I646 V656 | L537-L642 HydrophobicContact CD1-CD2 3.95Å; F580-L642 HydrophobicContact CD1-CB 4.08Å; F580-L642 HydrophobicContact CD1-CD1 4.33Å; F580-L642 HydrophobicContact CE1-CB 4.33Å; I583-L642 HydrophobicContact CG2-CD1 4.03Å; V584-L642 HydrophobicContact CG2-CD1 3.84Å; I587-L642 HydrophobicContact CD1-CD1 4.41Å; L603-L642 HydrophobicContact CD2-CD2 4.44Å; F605-L642 HydrophobicContact CD1-CD2 3.61Å; F605-L642 HydrophobicContact CE1-CB 4.45Å; F605-L642 HydrophobicContact CE1-CD2 3.84Å; F605-L642 HydrophobicContact CG-CD2 4.42Å; I638-L642 PolarHBondContact O-N 2.67Å; I638-L642 VanDerWaalsContact O-N 3.07Å; V639-L642 PolarHBondContact O-N 3.16Å; G640-L642 VanDerWaalsContact C-N 3.33Å; G640-L642 PolarHBondContact O-N 2.87Å; L642-D644 VanDerWaalsContact C-N 3.3Å; L642-D644 PolarHBondContact O-N 3.1Å; L642-S645 PolarHBondContact O-N 3.32Å; L642-I646 HydrophobicContact CD1-CD1 4.26Å; L642-I646 HydrophobicContact CD1-CG1 4.45Å; L642-I646 HydrophobicContact CG-CD1 4.01Å; L642-I646 VanDerWaalsContact O-CG1 3.3Å; L642-I646 WeakPolarHBondContact O-CG1 3.45Å; L642-I646 PolarHBondContact O-N 3.24Å; L642-V656 HydrophobicContact CD2-CG2 4.07Å |
| 643 | R | 94.8 | Very high | 92.6 | Very high | 78 Ų | 78 | 61.4 Ų | 61.4 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 177.9 | -75.9 | 170 | 177.5 | 154 | -0.4 | 111.6 | D617 V639 G640 I646 K647 V656 | D617-R643 IonicContact OD2-NH2 3.74Å; D617-R643 PolarHBondContact OD2-NH2 3.17Å; V639-R643 HydrophobicContact CG1-CG 4.36Å; V639-R643 WeakPolarHBondContact O-CB 3.25Å; V639-R643 VanDerWaalsContact O-CG 3.23Å; V639-R643 WeakPolarHBondContact O-CG 3.46Å; V639-R643 PolarHBondContact O-N 3.07Å; G640-R643 PolarHBondContact O-N 3.37Å; G640-R643 VanDerWaalsContact O-N 3.13Å; R643-I646 PolarHBondContact O-N 3.14Å; R643-K647 WeakPolarHBondContact O-CG 3.48Å; R643-K647 PolarHBondContact O-N 3.25Å; R643-V656 HydrophobicContact CG-CG2 4.41Å; R643-V656 PolarHBondContact NH2-O 3.04Å |
| 644 | D | 94.2 | Very high | 92.4 | Very high | 74 Ų | 74 | 62.5 Ų | 62.5 | 40% | 0.396 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.7 | -39.1 | 178.5 | -71.4 | -16.7 | 0 | 0 | 0 | 111.8 | G640 L641 L642 K647 R648 | G640-D644 PolarHBondContact O-N 3.15Å; L641-D644 PolarHBondContact O-N 2.64Å; L642-D644 VanDerWaalsContact C-N 3.3Å; L642-D644 PolarHBondContact O-N 3.1Å; D644-K647 PolarHBondContact O-N 3.3Å; D644-K647 IonicContact OD1-NZ 2.78Å; D644-R648 WeakPolarHBondContact O-CG 3.4Å; D644-R648 PolarHBondContact O-N 3.44Å |
| 645 | S | 94.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.007 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 173.4 | -175.7 | 0 | 0 | 0 | 0 | 112.7 | F580 D581 V584 L641 L642 K647 R648 N649 | F580-S645 VanDerWaalsContact C-OG 3.27Å; F580-S645 PolarHBondContact O-OG 3.42Å; D581-S645 VanDerWaalsContact CA-OG 3.27Å; D581-S645 WeakPolarHBondContact CA-OG 3.28Å; D581-S645 PolarHBondContact N-OG 3.07Å; D581-S645 WeakPolarHBondContact OD1-CB 3.5Å; D581-S645 PolarHBondContact OD1-OG 3.44Å; V584-S645 VanDerWaalsContact CG2-OG 3.26Å; V584-S645 WeakPolarHBondContact CG2-OG 3.4Å; L641-S645 PolarHBondContact O-N 2.93Å; L642-S645 PolarHBondContact O-N 3.32Å; S645-K647 VanDerWaalsContact C-N 3.31Å; S645-K647 PolarHBondContact O-N 3.17Å; S645-R648 VanDerWaalsContact CB-NH2 3.34Å; S645-R648 PolarHBondContact O-N 3.28Å; S645-R648 VanDerWaalsContact O-N 3.15Å; S645-N649 PolarHBondContact O-N 2.93Å |
| 646 | I | 92.5 | Very high | 92.3 | Very high | 16 Ų | 16 | 56.9 Ų | 56.9 | 8% | 0.082 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 173.9 | -67.5 | 166.5 | 0 | 0 | 0 | 110.5 | V584 L642 R643 R648 N649 Q650 F652 L654 | V584-I646 HydrophobicContact CG1-CG1 4.46Å; V584-I646 HydrophobicContact CG2-CG1 3.69Å; L642-I646 HydrophobicContact CD1-CD1 4.26Å; L642-I646 HydrophobicContact CD1-CG1 4.45Å; L642-I646 HydrophobicContact CG-CD1 4.01Å; L642-I646 VanDerWaalsContact O-CG1 3.3Å; L642-I646 WeakPolarHBondContact O-CG1 3.45Å; L642-I646 PolarHBondContact O-N 3.24Å; R643-I646 PolarHBondContact O-N 3.14Å; I646-R648 VanDerWaalsContact C-N 3.35Å; I646-R648 PolarHBondContact O-N 3.39Å; I646-N649 PolarHBondContact O-N 3.48Å; I646-Q650 PolarHBondContact O-N 2.66Å; I646-F652 HydrophobicContact CG1-CE2 4.18Å; I646-F652 HydrophobicContact CG2-CD2 4.42Å; I646-F652 HydrophobicContact CG2-CE2 4.13Å; I646-L654 HydrophobicContact CD1-CB 4.41Å; I646-L654 HydrophobicContact CD1-CD1 4.43Å |
| 647 | K | 91.9 | Very high | 92.2 | Very high | 140 Ų | 140 | 52.2 Ų | 52.2 | 61% | 0.609 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -64.3 | -35.3 | 176.3 | -72.7 | 171.7 | -171.4 | 165 | 0 | 113.1 | R643 D644 S645 Q650 | R643-K647 WeakPolarHBondContact O-CG 3.48Å; R643-K647 PolarHBondContact O-N 3.25Å; D644-K647 PolarHBondContact O-N 3.3Å; D644-K647 IonicContact OD1-NZ 2.78Å; S645-K647 VanDerWaalsContact C-N 3.31Å; S645-K647 PolarHBondContact O-N 3.17Å; K647-Q650 WeakPolarHBondContact O-CG 3.32Å |
| 648 | R | 92.6 | Very high | 92.1 | Very high | 107 Ų | 107 | 50 Ų | 50 | 40% | 0.404 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.4 | -39.8 | 175.3 | -75.9 | -169.3 | -62.6 | -86.2 | 3.2 | 111.7 | E577 D581 D644 S645 I646 | E577-R648 IonicContact OE1-NE 2.73Å; D581-R648 IonicContact OD1-CZ 3.88Å; D581-R648 IonicContact OD1-NE 2.92Å; D581-R648 PolarHBondContact OD1-NE 3.19Å; D581-R648 IonicContact OD1-NH2 2.64Å; D581-R648 PolarHBondContact OD1-NH2 3.44Å; D581-R648 IonicContact OD2-NE 3.29Å; D581-R648 IonicContact OD2-NH2 2.84Å; D644-R648 WeakPolarHBondContact O-CG 3.4Å; D644-R648 PolarHBondContact O-N 3.44Å; S645-R648 VanDerWaalsContact CB-NH2 3.34Å; S645-R648 PolarHBondContact O-N 3.28Å; S645-R648 VanDerWaalsContact O-N 3.15Å; I646-R648 VanDerWaalsContact C-N 3.35Å; I646-R648 PolarHBondContact O-N 3.39Å |
| 649 | N | 87.8 | Confident | 92.1 | Very high | 51 Ų | 51 | 50.2 Ų | 50.2 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.4 | -36.8 | -178.5 | -170.9 | 30.3 | 0 | 0 | 0 | 113.3 | V584 S645 I646 E651 F652 | V584-N649 HydrophobicContact CG1-CB 3.64Å; S645-N649 PolarHBondContact O-N 2.93Å; I646-N649 PolarHBondContact O-N 3.48Å; N649-E651 PolarHBondContact O-N 3.17Å; N649-F652 WeakPolarHBondContact ND2-CE1 3.38Å |
| 650 | Q | 85.6 | Confident | 92.1 | Very high | 173 Ų | 173 | 50.4 Ų | 50.4 | 81% | 0.808 | 24% | 0.239 | S | C | * | . | trans | 57.7 | 9.2 | 179.5 | -58.4 | -171.9 | -7.1 | 0 | 0 | 116.6 | I646 K647 | I646-Q650 PolarHBondContact O-N 2.66Å; K647-Q650 WeakPolarHBondContact O-CG 3.32Å | ||
| 651 | E | 86.6 | Confident | 92 | Very high | 103 Ų | 103 | 50 Ų | 50 | 48% | 0.481 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -87.3 | -23.9 | -178.5 | -65.8 | -169.8 | 171.5 | 0 | 0 | 114.8 | S588 K597 N649 | S588-E651 PolarHBondContact OG-OE2 3.11Å; K597-E651 WeakPolarHBondContact CE-OE2 3.4Å; K597-E651 IonicContact NZ-OE2 2.82Å; K597-E651 PolarHBondContact NZ-OE2 2.85Å; N649-E651 PolarHBondContact O-N 3.17Å |
| 652 | F | 89.2 | Confident | 91.9 | Very high | 16 Ų | 16 | 49.3 Ų | 49.3 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | trans | -156.3 | 165.5 | -176.3 | 62.6 | -97.3 | 0 | 0 | 0 | 111.8 | V584 I587 L591 K597 I646 N649 L654 | V584-F652 HydrophobicContact CG1-CE1 4.14Å; V584-F652 HydrophobicContact CG1-CZ 3.83Å; I587-F652 HydrophobicContact CB-CZ 3.97Å; I587-F652 HydrophobicContact CG2-CE1 4.33Å; I587-F652 HydrophobicContact CG2-CE2 3.82Å; I587-F652 HydrophobicContact CG2-CZ 3.57Å; L591-F652 HydrophobicContact CD1-CB 4.21Å; L591-F652 HydrophobicContact CD1-CD1 4.21Å; L591-F652 HydrophobicContact CD1-CD2 3.95Å; L591-F652 HydrophobicContact CD1-CE2 4.36Å; L591-F652 HydrophobicContact CD1-CG 3.86Å; K597-F652 HydrophobicContact CG-CB 4.33Å; I646-F652 HydrophobicContact CG1-CE2 4.18Å; I646-F652 HydrophobicContact CG2-CD2 4.42Å; I646-F652 HydrophobicContact CG2-CE2 4.13Å; N649-F652 WeakPolarHBondContact ND2-CE1 3.38Å; F652-L654 HydrophobicContact CD2-CD1 4Å; F652-L654 HydrophobicContact CD2-CG 3.81Å; F652-L654 HydrophobicContact CE2-CD1 3.51Å; F652-L654 HydrophobicContact CE2-CG 3.83Å | ||
| 653 | E | 87.8 | Confident | 91.9 | Very high | 149 Ų | 149 | 49.3 Ų | 49.3 | 70% | 0.696 | 23% | 0.229 | S | C | * | . | trans | -120.3 | 142.8 | 174.3 | -68.1 | -169.8 | 167.1 | 0 | 0 | 111.3 | ||||
| 654 | L | 88.7 | Confident | 92 | Very high | 23 Ų | 23 | 45.6 Ų | 45.6 | 12% | 0.12 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 146 | 176.5 | -66.9 | 177.5 | 0 | 0 | 0 | 111.6 | L535 I587 L601 L603 I646 F652 | L535-L654 HydrophobicContact CD1-CD1 4.1Å; L535-L654 HydrophobicContact CD1-CD2 3.4Å; L535-L654 VanDerWaalsContact CD1-CD2 3.4Å; L535-L654 HydrophobicContact CD1-CG 4.43Å; I587-L654 HydrophobicContact CG2-CD1 3.79Å; L601-L654 HydrophobicContact CB-CD2 4.35Å; L603-L654 HydrophobicContact CD1-CD1 3.67Å; I646-L654 HydrophobicContact CD1-CB 4.41Å; I646-L654 HydrophobicContact CD1-CD1 4.43Å; F652-L654 HydrophobicContact CD2-CD1 4Å; F652-L654 HydrophobicContact CD2-CG 3.81Å; F652-L654 HydrophobicContact CE2-CD1 3.51Å; F652-L654 HydrophobicContact CE2-CG 3.83Å |
| 655 | D | 91.9 | Very high | 92 | Very high | 62 Ų | 62 | 42.1 Ų | 42.1 | 33% | 0.332 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 100.5 | 169.6 | -179.8 | 12.6 | 0 | 0 | 0 | 109.1 | L601 P602 L603 V657 R917 | L601-D655 PolarHBondContact O-N 3.46Å; P602-D655 CarbonylContact C-O 3.51Å; P602-D655 WeakPolarHBondContact CA-O 3.46Å; L603-D655 PolarHBondContact N-O 2.7Å; D655-V657 HydrophobicContact CB-CG2 4.37Å; D655-V657 WeakPolarHBondContact O-CG2 3.4Å; D655-V657 PolarHBondContact O-N 3.27Å; D655-R917 IonicContact OD1-NH1 3.81Å; D655-R917 PolarHBondContact OD1-NH1 2.93Å; D655-R917 IonicContact OD2-NH1 3.58Å; D655-R917 PolarHBondContact OD2-NH1 3.35Å |
| 656 | V | 93.4 | Very high | 92 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 105.4 | 173.4 | -171.1 | 0 | 0 | 0 | 0 | 108.8 | L603 V639 L642 R643 | L603-V656 HydrophobicContact CD2-CG1 3.97Å; L603-V656 HydrophobicContact CD2-CG2 4.23Å; V639-V656 HydrophobicContact CG1-CB 3.97Å; V639-V656 HydrophobicContact CG1-CG1 3.65Å; V639-V656 HydrophobicContact CG2-CG1 4.39Å; L642-V656 HydrophobicContact CD2-CG2 4.07Å; R643-V656 HydrophobicContact CG-CG2 4.41Å; R643-V656 PolarHBondContact NH2-O 3.04Å |
| 657 | V | 93.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -29.1 | -170.9 | -175 | 0 | 0 | 0 | 0 | 112.6 | P602 L603 D617 D655 T910 A913 | P602-V657 HydrophobicContact CB-CG2 3.69Å; L603-V657 PolarHBondContact O-N 3.03Å; D617-V657 WeakPolarHBondContact CB-O 3.27Å; D655-V657 HydrophobicContact CB-CG2 4.37Å; D655-V657 WeakPolarHBondContact O-CG2 3.4Å; D655-V657 PolarHBondContact O-N 3.27Å; V657-T910 HydrophobicContact CB-CG2 3.99Å; V657-T910 HydrophobicContact CG1-CG2 4.41Å; V657-T910 HydrophobicContact CG2-CG2 4.11Å; V657-A913 HydrophobicContact CG1-CB 3.41Å; V657-A913 VanDerWaalsContact CG1-CB 3.41Å |
| 658 | A | 94 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 142 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L603 F605 L616 V660 I909 | L603-A658 PolarHBondContact O-N 2.92Å; F605-A658 PolarHBondContact N-O 3.29Å; L616-A658 HydrophobicContact CD1-CB 4.33Å; L616-A658 HydrophobicContact CD2-CB 4.28Å; L616-A658 HydrophobicContact CG-CB 3.86Å; L616-A658 CarbonylContact O-C 3.43Å; L616-A658 VanDerWaalsContact O-CA 3.25Å; L616-A658 WeakPolarHBondContact O-CA 3.28Å; A658-V660 HydrophobicContact CB-CG2 4.03Å; A658-I909 HydrophobicContact CB-CG2 4.01Å |
| 659 | I | 94.7 | Very high | 92.4 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 134.2 | 158.5 | -172.1 | 172.3 | 0 | 0 | 0 | 108.5 | F605 F607 Q613 L616 I638 V639 | F605-I659 CarbonylContact O-C 3.54Å; F605-I659 WeakPolarHBondContact O-CA 3.21Å; F607-I659 HydrophobicContact CB-CD1 3.97Å; F607-I659 HydrophobicContact CB-CG1 3.95Å; F607-I659 HydrophobicContact CD1-CD1 4.22Å; F607-I659 HydrophobicContact CG-CD1 4.29Å; Q613-I659 HydrophobicContact CG-CG2 4.39Å; Q613-I659 PolarHBondContact NE2-O 2.89Å; L616-I659 PolarHBondContact O-N 3.49Å; I638-I659 HydrophobicContact CB-CD1 3.85Å; I638-I659 HydrophobicContact CG2-CD1 3.79Å; V639-I659 HydrophobicContact CG2-CB 3.82Å; V639-I659 HydrophobicContact CG2-CD1 4.22Å; V639-I659 HydrophobicContact CG2-CG2 4.01Å |
| 660 | V | 93.6 | Very high | 92.7 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.03 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 140.7 | -165.8 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | F605 T606 F607 A658 V664 I909 | F605-V660 PolarHBondContact O-N 3.26Å; T606-V660 CarbonylContact C-O 3.6Å; T606-V660 WeakPolarHBondContact CA-O 3.36Å; F607-V660 PolarHBondContact N-O 3.33Å; A658-V660 HydrophobicContact CB-CG2 4.03Å; V660-V664 HydrophobicContact CG1-CB 3.88Å; V660-V664 HydrophobicContact CG1-CG1 4.04Å; V660-I909 HydrophobicContact CB-CD1 4.23Å; V660-I909 HydrophobicContact CG1-CD1 3.32Å; V660-I909 HydrophobicContact CG2-CB 4.39Å; V660-I909 HydrophobicContact CG2-CD1 3.8Å; V660-I909 HydrophobicContact CG2-CG2 4.04Å |
| 661 | N | 94.1 | Very high | 93.1 | Very high | 8 Ų | 8 | 19.5 Ų | 19.5 | 4% | 0.043 | 10% | 0.097 | C | C | . | . | trans | -80.7 | 147.9 | 168.5 | -172.4 | -95.5 | 0 | 0 | 0 | 111 | T663 V664 G665 N688 N711 E713 | N661-T663 VanDerWaalsContact C-N 3.25Å; N661-T663 PolarHBondContact O-N 2.95Å; N661-T663 WeakPolarHBondContact OD1-CB 3.31Å; N661-T663 PolarHBondContact OD1-N 2.89Å; N661-T663 PolarHBondContact OD1-OG1 2.71Å; N661-V664 HydrophobicContact CB-CG2 4.19Å; N661-V664 WeakPolarHBondContact O-CB 3.27Å; N661-V664 PolarHBondContact O-N 3.09Å; N661-G665 PolarHBondContact O-N 3.42Å; N661-N688 PolarHBondContact OD1-ND2 3.41Å; N661-N711 HydrophobicContact CB-CB 4.48Å; N661-N711 PolarHBondContact ND2-ND2 3.17Å; N661-E713 PolarHBondContact ND2-OE1 3.42Å | ||
| 662 | D | 92.9 | Very high | 93.3 | Very high | 24 Ų | 24 | 15.2 Ų | 15.2 | 13% | 0.128 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.5 | -33.8 | -179.5 | 52.5 | 4 | 0 | 0 | 0 | 114.1 | T606 S608 V664 G665 T666 I682 | T606-D662 HydrophobicContact CG2-CB 3.91Å; S608-D662 VanDerWaalsContact CB-CG 3.46Å; S608-D662 WeakPolarHBondContact CB-OD2 3.33Å; S608-D662 WeakPolarHBondContact OG-CB 3.23Å; S608-D662 PolarHBondContact OG-OD2 3.46Å; D662-V664 VanDerWaalsContact C-N 3.34Å; D662-V664 PolarHBondContact O-N 2.72Å; D662-G665 PolarHBondContact O-N 3.32Å; D662-T666 VanDerWaalsContact O-CB 3.29Å; D662-T666 WeakPolarHBondContact O-CB 3.39Å; D662-T666 PolarHBondContact O-N 2.97Å; D662-T666 PolarHBondContact O-OG1 3.32Å; D662-I682 HydrophobicContact CB-CD1 4.37Å; D662-I682 HydrophobicContact CB-CG1 4.39Å |
| 663 | T | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 172.6 | 56.8 | 0 | 0 | 0 | 0 | 111.2 | N661 T666 M667 I682 N688 C690 | N661-T663 VanDerWaalsContact C-N 3.25Å; N661-T663 PolarHBondContact O-N 2.95Å; N661-T663 WeakPolarHBondContact OD1-CB 3.31Å; N661-T663 PolarHBondContact OD1-N 2.89Å; N661-T663 PolarHBondContact OD1-OG1 2.71Å; T663-T666 PolarHBondContact O-N 2.6Å; T663-M667 PolarHBondContact O-N 2.87Å; T663-I682 HydrophobicContact CG2-CB 4.18Å; T663-I682 HydrophobicContact CG2-CG1 3.6Å; T663-N688 VanDerWaalsContact CG2-C 3.45Å; T663-N688 HydrophobicContact CG2-CB 3.59Å; T663-N688 WeakPolarHBondContact CG2-O 3.45Å; T663-C690 PolarHBondContact O-SG 2.69Å; T663-C690 WeakPolarHBondContact OG1-CB 3.39Å |
| 664 | V | 96.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.4 | -44.4 | 179.8 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | V522 V660 N661 D662 T666 M667 M668 C690 C709 I909 | V522-V664 HydrophobicContact CB-CG1 4.43Å; V522-V664 HydrophobicContact CG2-CG1 4.01Å; V660-V664 HydrophobicContact CG1-CB 3.88Å; V660-V664 HydrophobicContact CG1-CG1 4.04Å; N661-V664 HydrophobicContact CB-CG2 4.19Å; N661-V664 WeakPolarHBondContact O-CB 3.27Å; N661-V664 PolarHBondContact O-N 3.09Å; D662-V664 VanDerWaalsContact C-N 3.34Å; D662-V664 PolarHBondContact O-N 2.72Å; V664-T666 VanDerWaalsContact C-N 3.34Å; V664-T666 PolarHBondContact O-N 3.09Å; V664-M667 PolarHBondContact O-N 3.1Å; V664-M668 HydrophobicContact CG1-CG 4.48Å; V664-M668 WeakPolarHBondContact O-CB 3.45Å; V664-M668 WeakPolarHBondContact O-CG 3.4Å; V664-M668 PolarHBondContact O-N 3.12Å; V664-C690 VanDerWaalsContact CA-SG 3.55Å; V664-C690 HydrophobicContact CG2-CB 3.9Å; V664-C690 PolarHBondContact N-SG 3.43Å; V664-C709 HydrophobicContact CG1-CB 4.41Å; V664-I909 HydrophobicContact CG1-CD1 4Å |
| 665 | G | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.4 | -47 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | N661 D662 M667 M668 T669 G905 | N661-G665 PolarHBondContact O-N 3.42Å; D662-G665 PolarHBondContact O-N 3.32Å; G665-M667 PolarHBondContact O-N 2.91Å; G665-M668 PolarHBondContact O-N 3.34Å; G665-T669 PolarHBondContact O-N 3.28Å; G665-T669 PolarHBondContact O-OG1 2.77Å; G665-T669 VanDerWaalsContact O-OG1 3.14Å; G665-G905 WeakPolarHBondContact O-CA 3.16Å |
| 666 | T | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 179.1 | -60 | 0 | 0 | 0 | 0 | 112.1 | D662 T663 V664 M668 T669 C670 I682 D866 | D662-T666 VanDerWaalsContact O-CB 3.29Å; D662-T666 WeakPolarHBondContact O-CB 3.39Å; D662-T666 PolarHBondContact O-N 2.97Å; D662-T666 PolarHBondContact O-OG1 3.32Å; T663-T666 PolarHBondContact O-N 2.6Å; V664-T666 VanDerWaalsContact C-N 3.34Å; V664-T666 PolarHBondContact O-N 3.09Å; T666-M668 VanDerWaalsContact C-N 3.32Å; T666-M668 PolarHBondContact O-N 3.33Å; T666-T669 PolarHBondContact O-N 2.95Å; T666-C670 PolarHBondContact O-N 2.82Å; T666-C670 VanDerWaalsContact O-N 3.12Å; T666-I682 HydrophobicContact CG2-CD1 4.49Å; T666-I682 WeakPolarHBondContact OG1-CD1 3.22Å; T666-D866 HydrophobicContact CG2-CB 3.91Å |
| 667 | M | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.3 | -46.9 | 173.9 | -173.5 | -173.3 | 73.8 | 0 | 0 | 111 | T663 V664 G665 C670 A671 M692 C709 | T663-M667 PolarHBondContact O-N 2.87Å; V664-M667 PolarHBondContact O-N 3.1Å; G665-M667 PolarHBondContact O-N 2.91Å; M667-C670 PolarHBondContact O-N 2.93Å; M667-A671 WeakPolarHBondContact O-CB 3.33Å; M667-A671 PolarHBondContact O-N 3.31Å; M667-M692 HydrophobicContact CE-CG 4.23Å; M667-M692 HydrophobicContact CE-SD 3.83Å; M667-M692 HydrophobicContact SD-CG 4.28Å; M667-C709 HydrophobicContact CE-CB 3.93Å; M667-C709 WeakPolarHBondContact CE-SG 3.27Å |
| 668 | M | 94.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.3 | -37.3 | -177.8 | -66.7 | -64.7 | -76.6 | 0 | 0 | 112.5 | V522 S524 T525 P526 V664 G665 T666 C670 A671 Y672 I909 | V522-M668 HydrophobicContact CG1-CE 3.97Å; V522-M668 HydrophobicContact CG1-SD 4.04Å; S524-M668 WeakPolarHBondContact O-CE 3.45Å; T525-M668 HydrophobicContact CG2-SD 4.33Å; P526-M668 HydrophobicContact CG-CE 3.82Å; P526-M668 HydrophobicContact CG-SD 4.5Å; V664-M668 HydrophobicContact CG1-CG 4.48Å; V664-M668 WeakPolarHBondContact O-CB 3.45Å; V664-M668 WeakPolarHBondContact O-CG 3.4Å; V664-M668 PolarHBondContact O-N 3.12Å; G665-M668 PolarHBondContact O-N 3.34Å; T666-M668 VanDerWaalsContact C-N 3.32Å; T666-M668 PolarHBondContact O-N 3.33Å; M668-C670 VanDerWaalsContact C-N 3.34Å; M668-C670 PolarHBondContact O-N 2.81Å; M668-A671 PolarHBondContact O-N 3.39Å; M668-Y672 PolarHBondContact O-N 2.79Å; M668-Y672 VanDerWaalsContact O-N 3.15Å; M668-I909 HydrophobicContact CB-CD1 4.36Å; M668-I909 HydrophobicContact CB-CG1 4.31Å; M668-I909 HydrophobicContact CE-CG1 3.91Å; M668-I909 HydrophobicContact CG-CD1 3.83Å; M668-I909 HydrophobicContact CG-CG1 3.79Å |
| 669 | T | 93.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 20.5 Ų | 20.5 | 4% | 0.037 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -55.6 | -50.7 | 171.8 | -66.8 | 0 | 0 | 0 | 0 | 110.6 | G665 T666 Y672 S898 G901 K904 G905 | G665-T669 PolarHBondContact O-N 3.28Å; G665-T669 PolarHBondContact O-OG1 2.77Å; G665-T669 VanDerWaalsContact O-OG1 3.14Å; T666-T669 PolarHBondContact O-N 2.95Å; T669-Y672 WeakPolarHBondContact O-CB 3.48Å; T669-S898 WeakPolarHBondContact CG2-OG 3.46Å; T669-G901 PolarHBondContact OG1-O 3.36Å; T669-K904 HydrophobicContact CG2-CB 4.1Å; T669-K904 HydrophobicContact CG2-CD 4Å; T669-K904 HydrophobicContact CG2-CG 4.27Å; T669-G905 WeakPolarHBondContact OG1-CA 3.39Å; T669-G905 PolarHBondContact OG1-N 3.48Å |
| 670 | C | 94.4 | Very high | 94.6 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.02 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -71.9 | -35.9 | -179.2 | -69.2 | 0 | 0 | 0 | 0 | 112.4 | T666 M667 M668 Y672 E673 E674 C677 G864 L896 | T666-C670 PolarHBondContact O-N 2.82Å; T666-C670 VanDerWaalsContact O-N 3.12Å; M667-C670 PolarHBondContact O-N 2.93Å; M668-C670 VanDerWaalsContact C-N 3.34Å; M668-C670 PolarHBondContact O-N 2.81Å; C670-Y672 PolarHBondContact O-N 3.17Å; C670-E673 PolarHBondContact O-N 2.93Å; C670-E673 VanDerWaalsContact O-N 3.16Å; C670-E674 PolarHBondContact O-N 2.92Å; C670-C677 HydrophobicContact CB-CB 4.31Å; C670-C677 VanDerWaalsContact CB-SG 3.52Å; C670-G864 WeakPolarHBondContact SG-CA 3.31Å; C670-L896 HydrophobicContact CB-CD2 3.99Å |
| 671 | A | 93.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 20.1 Ų | 20.1 | 3% | 0.033 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.6 | -22.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T525 M667 M668 E673 E674 C677 | T525-A671 HydrophobicContact CG2-CB 3.77Å; M667-A671 WeakPolarHBondContact O-CB 3.33Å; M667-A671 PolarHBondContact O-N 3.31Å; M668-A671 PolarHBondContact O-N 3.39Å; A671-E673 VanDerWaalsContact C-N 3.26Å; A671-E673 PolarHBondContact O-N 2.79Å; A671-E674 WeakPolarHBondContact CA-O 3.36Å; A671-C677 HydrophobicContact CB-CB 4.03Å; A671-C677 WeakPolarHBondContact CB-O 3.29Å |
| 672 | Y | 90.9 | Very high | 94.9 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 5% | 0.047 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -33.8 | 172.9 | -173.4 | -108.6 | 0 | 0 | 0 | 113 | P526 K556 V558 M668 T669 C670 L908 | P526-Y672 HydrophobicContact CB-CD2 3.91Å; P526-Y672 HydrophobicContact CG-CD2 4.47Å; K556-Y672 WeakPolarHBondContact CA-OH 3.38Å; K556-Y672 HydrophobicContact CB-CE1 4.44Å; V558-Y672 HydrophobicContact CG2-CD1 4.34Å; V558-Y672 HydrophobicContact CG2-CE1 3.56Å; M668-Y672 PolarHBondContact O-N 2.79Å; M668-Y672 VanDerWaalsContact O-N 3.15Å; T669-Y672 WeakPolarHBondContact O-CB 3.48Å; C670-Y672 PolarHBondContact O-N 3.17Å; Y672-L908 HydrophobicContact CD2-CD1 4.04Å; Y672-L908 HydrophobicContact CD2-CD2 3.46Å; Y672-L908 VanDerWaalsContact CD2-CD2 3.46Å; Y672-L908 HydrophobicContact CD2-CG 4.42Å; Y672-L908 HydrophobicContact CE2-CD2 3.75Å; Y672-L908 HydrophobicContact CG-CD1 3.94Å; Y672-L908 HydrophobicContact CG-CD2 4.17Å |
| 673 | E | 87.8 | Confident | 95.1 | Very high | 125 Ų | 125 | 19.3 Ų | 19.3 | 58% | 0.584 | 11% | 0.106 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -38.5 | -179 | -68.2 | 174 | -161.3 | 0 | 0 | 111.8 | C670 A671 K904 | C670-E673 PolarHBondContact O-N 2.93Å; C670-E673 VanDerWaalsContact O-N 3.16Å; A671-E673 VanDerWaalsContact C-N 3.26Å; A671-E673 PolarHBondContact O-N 2.79Å; E673-K904 IonicContact OE1-NZ 2.72Å; E673-K904 PolarHBondContact OE1-NZ 3.49Å |
| 674 | E | 92.1 | Very high | 94.9 | Very high | 69 Ų | 69 | 19.5 Ų | 19.5 | 32% | 0.322 | 11% | 0.108 | S | C | . | . | trans | -121.9 | 103.1 | -175.9 | 179.5 | 46.8 | -110.1 | 0 | 0 | 111.3 | C670 A671 T676 C677 T862 L896 | C670-E674 PolarHBondContact O-N 2.92Å; A671-E674 WeakPolarHBondContact CA-O 3.36Å; E674-T676 VanDerWaalsContact CD-OG1 3.23Å; E674-T676 WeakPolarHBondContact CG-OG1 3.09Å; E674-T676 PolarHBondContact O-N 3.19Å; E674-T676 WeakPolarHBondContact OE1-CB 3.37Å; E674-T676 WeakPolarHBondContact OE1-CG2 3.35Å; E674-T676 PolarHBondContact OE1-N 3.41Å; E674-T676 PolarHBondContact OE1-OG1 2.8Å; E674-C677 WeakPolarHBondContact O-CB 3.31Å; E674-C677 PolarHBondContact O-N 3.47Å; E674-T862 HydrophobicContact CG-CG2 3.92Å; E674-T862 WeakPolarHBondContact CG-OG1 3.49Å; E674-L896 HydrophobicContact CB-CD2 4.23Å | ||
| 675 | S | 91.6 | Very high | 94.6 | Very high | 100 Ų | 100 | 22.7 Ų | 22.7 | 70% | 0.699 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -20.5 | -176.2 | 62.5 | 0 | 0 | 0 | 0 | 114.9 | C677 | S675-C677 VanDerWaalsContact C-N 3.25Å; S675-C677 PolarHBondContact O-N 2.83Å |
| 676 | T | 96.3 | Very high | 94.4 | Very high | 51 Ų | 51 | 23.1 Ų | 23.1 | 31% | 0.313 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -2.1 | 175.2 | 61.8 | 0 | 0 | 0 | 0 | 113.4 | E674 E678 T862 | E674-T676 VanDerWaalsContact CD-OG1 3.23Å; E674-T676 WeakPolarHBondContact CG-OG1 3.09Å; E674-T676 PolarHBondContact O-N 3.19Å; E674-T676 WeakPolarHBondContact OE1-CB 3.37Å; E674-T676 WeakPolarHBondContact OE1-CG2 3.35Å; E674-T676 PolarHBondContact OE1-N 3.41Å; E674-T676 PolarHBondContact OE1-OG1 2.8Å; T676-E678 PolarHBondContact O-N 2.81Å; T676-T862 PolarHBondContact O-N 3.15Å; T676-T862 WeakPolarHBondContact OG1-CB 3.16Å; T676-T862 PolarHBondContact OG1-OG1 3.05Å |
| 677 | C | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 109.8 | -179.8 | -176.2 | 0 | 0 | 0 | 0 | 111.5 | C670 A671 E674 S675 T862 G864 | C670-C677 HydrophobicContact CB-CB 4.31Å; C670-C677 VanDerWaalsContact CB-SG 3.52Å; A671-C677 HydrophobicContact CB-CB 4.03Å; A671-C677 WeakPolarHBondContact CB-O 3.29Å; E674-C677 WeakPolarHBondContact O-CB 3.31Å; E674-C677 PolarHBondContact O-N 3.47Å; S675-C677 VanDerWaalsContact C-N 3.25Å; S675-C677 PolarHBondContact O-N 2.83Å; C677-T862 WeakPolarHBondContact CA-O 3.42Å; C677-T862 HydrophobicContact CB-CG2 4.01Å; C677-G864 PolarHBondContact SG-N 2.78Å |
| 678 | E | 98.2 | Very high | 94.4 | Very high | 16 Ų | 16 | 23.7 Ų | 23.7 | 8% | 0.075 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 12.8 | -177.1 | -60.8 | -175.4 | 114.7 | 0 | 0 | 112.5 | T676 Y691 M692 R707 R854 I861 T862 | T676-E678 PolarHBondContact O-N 2.81Å; E678-Y691 CarbonylContact O-C 3.27Å; E678-Y691 WeakPolarHBondContact O-CA 3.48Å; E678-Y691 WeakPolarHBondContact O-CB 3.24Å; E678-M692 HydrophobicContact CB-CB 4.21Å; E678-M692 HydrophobicContact CB-CG 4.07Å; E678-M692 HydrophobicContact CG-CG 4.39Å; E678-M692 PolarHBondContact O-N 2.95Å; E678-R707 IonicContact OE1-CZ 3.21Å; E678-R707 IonicContact OE1-NH1 2.96Å; E678-R707 PolarHBondContact OE1-NH1 3.12Å; E678-R707 IonicContact OE1-NH2 3.82Å; E678-R854 IonicContact OE1-CZ 2.95Å; E678-R854 IonicContact OE1-NH1 3.89Å; E678-R854 IonicContact OE1-NH2 3.51Å; E678-R854 PolarHBondContact OE1-NH2 3.18Å; E678-R854 IonicContact OE2-CZ 3.81Å; E678-R854 IonicContact OE2-NH1 2.69Å; E678-R854 PolarHBondContact OE2-NH1 2.63Å; E678-R854 IonicContact OE2-NH2 2.75Å; E678-R854 PolarHBondContact OE2-NH2 3.26Å; E678-I861 HydrophobicContact CB-CD1 4.07Å; E678-I861 HydrophobicContact CB-CG1 4.4Å; E678-T862 PolarHBondContact N-O 2.83Å |
| 679 | I | 98.7 | Very high | 94.6 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 133.6 | 177.6 | -54.9 | 173.9 | 0 | 0 | 0 | 108.3 | C690 V846 V847 I850 I861 V863 G864 | I679-C690 CarbonylContact C-O 3.46Å; I679-C690 VanDerWaalsContact CA-O 3.28Å; I679-C690 WeakPolarHBondContact CA-O 3.22Å; I679-C690 WeakPolarHBondContact CG2-O 3.26Å; I679-V846 HydrophobicContact CD1-CG1 3.83Å; I679-V846 HydrophobicContact CG1-CG1 4.12Å; I679-V846 HydrophobicContact CG2-CG1 4.35Å; I679-V847 HydrophobicContact CD1-CG1 3.42Å; I679-V847 VanDerWaalsContact CD1-CG1 3.42Å; I679-I850 HydrophobicContact CD1-CD1 3.84Å; I679-I850 HydrophobicContact CG1-CD1 3.8Å; I679-I861 HydrophobicContact CD1-CD1 3.78Å; I679-I861 HydrophobicContact CD1-CG1 4.31Å; I679-I861 HydrophobicContact CG1-CD1 3.96Å; I679-V863 HydrophobicContact CB-CB 4.33Å; I679-V863 HydrophobicContact CB-CG1 4.17Å; I679-V863 HydrophobicContact CB-CG2 3.97Å; I679-V863 HydrophobicContact CD1-CG2 3.98Å; I679-V863 HydrophobicContact CG2-CB 4.48Å; I679-V863 HydrophobicContact CG2-CG1 3.86Å; I679-V863 HydrophobicContact CG2-CG2 4.13Å; I679-V863 WeakPolarHBondContact O-CA 3.2Å; I679-G864 PolarHBondContact O-N 3.44Å |
| 680 | G | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 137 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | A689 C690 G864 | G680-A689 CarbonylContact O-C 3.56Å; G680-A689 WeakPolarHBondContact O-CA 3.38Å; G680-A689 WeakPolarHBondContact O-CB 3.39Å; G680-C690 PolarHBondContact N-O 3.02Å; G680-C690 PolarHBondContact O-N 3.27Å; G680-G864 CarbonylContact C-O 3.6Å; G680-G864 WeakPolarHBondContact CA-O 3.29Å |
| 681 | L | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 129.8 | 179.2 | 175.5 | 64.7 | 0 | 0 | 0 | 110 | A689 W714 V843 V863 G864 V865 D866 M880 | L681-A689 HydrophobicContact CD1-CB 4.35Å; L681-W714 HydrophobicContact CD1-CH2 3.37Å; L681-W714 HydrophobicContact CD1-CZ2 3.35Å; L681-V843 HydrophobicContact CD1-CG2 4.3Å; L681-V843 HydrophobicContact CD2-CG2 4.08Å; L681-V863 HydrophobicContact CB-CG1 3.73Å; L681-V863 HydrophobicContact CD2-CG1 4.48Å; L681-G864 PolarHBondContact N-O 3.33Å; L681-V865 HydrophobicContact CB-CG1 4.22Å; L681-V865 HydrophobicContact CB-CG2 4.21Å; L681-V865 HydrophobicContact CD2-CG1 3.98Å; L681-V865 HydrophobicContact CD2-CG2 4.13Å; L681-V865 HydrophobicContact CG-CG1 4.07Å; L681-V865 CarbonylContact O-C 3.55Å; L681-V865 VanDerWaalsContact O-CA 3.29Å; L681-V865 WeakPolarHBondContact O-CA 3.43Å; L681-D866 PolarHBondContact O-N 2.95Å; L681-M880 HydrophobicContact CD2-CE 3.98Å |
| 682 | I | 95.8 | Very high | 95.3 | Very high | 16 Ų | 16 | 23.2 Ų | 23.2 | 8% | 0.082 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 126 | 169.1 | -60.8 | -62.3 | 0 | 0 | 0 | 108.5 | D662 T663 T666 S687 N688 D866 | D662-I682 HydrophobicContact CB-CD1 4.37Å; D662-I682 HydrophobicContact CB-CG1 4.39Å; T663-I682 HydrophobicContact CG2-CB 4.18Å; T663-I682 HydrophobicContact CG2-CG1 3.6Å; T666-I682 HydrophobicContact CG2-CD1 4.49Å; T666-I682 WeakPolarHBondContact OG1-CD1 3.22Å; I682-S687 VanDerWaalsContact O-CA 3.25Å; I682-S687 WeakPolarHBondContact O-CA 3.45Å; I682-N688 PolarHBondContact N-O 3.07Å; I682-N688 PolarHBondContact O-N 3.25Å; I682-N688 VanDerWaalsContact O-N 3.14Å; I682-D866 WeakPolarHBondContact CA-O 3.34Å; I682-D866 HydrophobicContact CD1-CB 3.78Å |
| 683 | A | 95.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 81.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | D866 G867 L869 Y870 F876 | A683-D866 PolarHBondContact N-O 2.87Å; A683-G867 CarbonylContact O-C 3.52Å; A683-G867 VanDerWaalsContact O-C 3.27Å; A683-G867 VanDerWaalsContact O-CA 3.28Å; A683-G867 WeakPolarHBondContact O-CA 3.43Å; A683-L869 WeakPolarHBondContact O-CB 3.37Å; A683-L869 PolarHBondContact O-N 2.64Å; A683-Y870 PolarHBondContact O-N 3.2Å; A683-F876 HydrophobicContact CB-CE1 4.17Å |
| 684 | G | 92.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 4% | 0.041 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -136.1 | -126.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G686 G752 | G684-G686 VanDerWaalsContact C-N 3.32Å; G684-G686 CarbonylContact C-O 3.55Å; G684-G686 PolarHBondContact N-O 2.89Å; G684-G752 WeakPolarHBondContact O-CA 3.36Å; G684-G752 PolarHBondContact O-N 2.72Å |
| 685 | T | 88.7 | Confident | 96.4 | Very high | 68 Ų | 68 | 15 Ų | 15 | 42% | 0.417 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -59.6 | -44.9 | 172.2 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | S751 M753 | T685-S751 WeakPolarHBondContact O-CB 3.26Å; T685-S751 PolarHBondContact O-OG 3.5Å; T685-M753 HydrophobicContact CG2-CB 4Å; T685-M753 HydrophobicContact CG2-SD 4.17Å; T685-M753 WeakPolarHBondContact O-CB 3.47Å; T685-M753 PolarHBondContact O-N 3.41Å |
| 686 | G | 91.8 | Very high | 96.6 | Very high | 8 Ų | 8 | 17.2 Ų | 17.2 | 8% | 0.082 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -109.5 | -176.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G684 E747 | G684-G686 VanDerWaalsContact C-N 3.32Å; G684-G686 CarbonylContact C-O 3.55Å; G684-G686 PolarHBondContact N-O 2.89Å; G686-E747 WeakPolarHBondContact CA-OE2 3.35Å |
| 687 | S | 95.5 | Very high | 96.7 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.014 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 122.8 | 174.7 | 177.5 | 0 | 0 | 0 | 0 | 110 | I682 W714 E747 | I682-S687 VanDerWaalsContact O-CA 3.25Å; I682-S687 WeakPolarHBondContact O-CA 3.45Å; S687-W714 PolarHBondContact O-NE1 2.68Å; S687-W714 PolarHBondContact OG-NE1 3.17Å; S687-W714 VanDerWaalsContact OG-NE1 3.1Å; S687-E747 PolarHBondContact N-OE2 2.88Å |
| 688 | N | 97.4 | Very high | 96.6 | Very high | 11 Ų | 11 | 16.7 Ų | 16.7 | 6% | 0.059 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 162.5 | 176.6 | -165.5 | 24.1 | 0 | 0 | 0 | 111.5 | N661 T663 I682 N711 E713 W714 | N661-N688 PolarHBondContact OD1-ND2 3.41Å; T663-N688 VanDerWaalsContact CG2-C 3.45Å; T663-N688 HydrophobicContact CG2-CB 3.59Å; T663-N688 WeakPolarHBondContact CG2-O 3.45Å; I682-N688 PolarHBondContact N-O 3.07Å; I682-N688 PolarHBondContact O-N 3.25Å; I682-N688 VanDerWaalsContact O-N 3.14Å; N688-N711 PolarHBondContact ND2-OD1 3.28Å; N688-E713 VanDerWaalsContact OD1-CA 3.24Å; N688-E713 WeakPolarHBondContact OD1-CA 3.43Å; N688-E713 PolarHBondContact OD1-N 3.22Å; N688-E713 VanDerWaalsContact OD1-N 3.12Å; N688-W714 VanDerWaalsContact CA-CD1 3.41Å; N688-W714 PolarHBondContact OD1-N 2.98Å; N688-W714 VanDerWaalsContact OD1-N 3.1Å |
| 689 | A | 98.5 | Very high | 96.6 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 2% | 0.017 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 155.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G680 L681 M712 W714 | G680-A689 CarbonylContact O-C 3.56Å; G680-A689 WeakPolarHBondContact O-CA 3.38Å; G680-A689 WeakPolarHBondContact O-CB 3.39Å; L681-A689 HydrophobicContact CD1-CB 4.35Å; A689-M712 HydrophobicContact CB-SD 3.87Å; A689-M712 VanDerWaalsContact O-CB 3.24Å; A689-M712 WeakPolarHBondContact O-CB 3.35Å; A689-M712 VanDerWaalsContact O-CG 3.28Å; A689-M712 WeakPolarHBondContact O-CG 3.37Å; A689-M712 PolarHBondContact O-N 3.42Å; A689-W714 HydrophobicContact CB-CD2 3.85Å; A689-W714 HydrophobicContact CB-CE3 3.56Å; A689-W714 HydrophobicContact CB-CH2 3.67Å; A689-W714 HydrophobicContact CB-CZ2 3.94Å; A689-W714 HydrophobicContact CB-CZ3 3.46Å; A689-W714 VanDerWaalsContact CB-CZ3 3.46Å |
| 690 | C | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 161.2 | 168.7 | 73.9 | 0 | 0 | 0 | 0 | 110.7 | T663 V664 I679 G680 I710 | T663-C690 PolarHBondContact O-SG 2.69Å; T663-C690 WeakPolarHBondContact OG1-CB 3.39Å; V664-C690 VanDerWaalsContact CA-SG 3.55Å; V664-C690 HydrophobicContact CG2-CB 3.9Å; V664-C690 PolarHBondContact N-SG 3.43Å; I679-C690 CarbonylContact C-O 3.46Å; I679-C690 VanDerWaalsContact CA-O 3.28Å; I679-C690 WeakPolarHBondContact CA-O 3.22Å; I679-C690 WeakPolarHBondContact CG2-O 3.26Å; G680-C690 PolarHBondContact N-O 3.02Å; G680-C690 PolarHBondContact O-N 3.27Å; C690-I710 CarbonylContact C-O 3.55Å; C690-I710 WeakPolarHBondContact CA-O 3.16Å; C690-I710 WeakPolarHBondContact CB-O 3.27Å |
| 691 | Y | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 163.1 | 172.2 | 70.7 | -78.9 | 0 | 0 | 0 | 112.9 | M501 M517 E678 E693 C709 I710 M712 V846 K849 I850 | M501-Y691 HydrophobicContact CE-CD1 4.33Å; M501-Y691 HydrophobicContact CE-CE1 3.49Å; M501-Y691 VanDerWaalsContact CE-CE1 3.49Å; M517-Y691 HydrophobicContact CE-CE1 3.51Å; M517-Y691 WeakPolarHBondContact CE-OH 3.27Å; E678-Y691 CarbonylContact O-C 3.27Å; E678-Y691 WeakPolarHBondContact O-CA 3.48Å; E678-Y691 WeakPolarHBondContact O-CB 3.24Å; Y691-E693 HydrophobicContact CD2-CB 4.47Å; Y691-E693 HydrophobicContact CE2-CB 3.78Å; Y691-E693 HydrophobicContact CE2-CG 4.31Å; Y691-E693 VanDerWaalsContact CE2-OE2 3.24Å; Y691-E693 WeakPolarHBondContact CE2-OE2 3.45Å; Y691-E693 VanDerWaalsContact CZ-OE2 3.31Å; Y691-E693 PolarHBondContact O-N 3.23Å; Y691-E693 PolarHBondContact OH-OE2 3.18Å; Y691-C709 CarbonylContact O-C 3.58Å; Y691-C709 WeakPolarHBondContact O-CA 3.47Å; Y691-I710 HydrophobicContact CE1-CB 4.4Å; Y691-I710 PolarHBondContact N-O 2.84Å; Y691-I710 VanDerWaalsContact N-O 3.12Å; Y691-I710 PolarHBondContact O-N 2.95Å; Y691-M712 HydrophobicContact CD1-CG 4.14Å; Y691-M712 HydrophobicContact CD1-SD 4.01Å; Y691-M712 HydrophobicContact CE1-CG 4.1Å; Y691-M712 HydrophobicContact CE1-SD 4.2Å; Y691-V846 HydrophobicContact CD1-CG1 3.79Å; Y691-V846 HydrophobicContact CD2-CG1 4.32Å; Y691-V846 HydrophobicContact CG-CG1 3.68Å; Y691-K849 HydrophobicContact CE2-CD 4.4Å; Y691-K849 WeakPolarHBondContact OH-CD 3.49Å; Y691-K849 WeakPolarHBondContact OH-CE 2.98Å; Y691-I850 HydrophobicContact CD2-CD1 3.83Å; Y691-I850 HydrophobicContact CD2-CG1 3.75Å; Y691-I850 HydrophobicContact CE2-CG1 4.29Å; Y691-I850 HydrophobicContact CG-CD1 4.25Å |
| 692 | M | 98.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 111.9 | 173 | -65.5 | -59.8 | -62.4 | 0 | 0 | 111.5 | M667 E678 R707 C709 | M667-M692 HydrophobicContact CE-CG 4.23Å; M667-M692 HydrophobicContact CE-SD 3.83Å; M667-M692 HydrophobicContact SD-CG 4.28Å; E678-M692 HydrophobicContact CB-CB 4.21Å; E678-M692 HydrophobicContact CB-CG 4.07Å; E678-M692 HydrophobicContact CG-CG 4.39Å; E678-M692 PolarHBondContact O-N 2.95Å; M692-R707 HydrophobicContact CE-CB 3.69Å; M692-C709 HydrophobicContact SD-CB 3.66Å |
| 693 | E | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 152 | 175.9 | -176.2 | 55.3 | -97.2 | 0 | 0 | 111.5 | L505 Y691 N697 V698 R707 M708 I710 K849 N853 | L505-E693 HydrophobicContact CD1-CG 4.31Å; L505-E693 WeakPolarHBondContact CD1-OE2 3.41Å; L505-E693 HydrophobicContact CD2-CG 4.24Å; Y691-E693 HydrophobicContact CD2-CB 4.47Å; Y691-E693 HydrophobicContact CE2-CB 3.78Å; Y691-E693 HydrophobicContact CE2-CG 4.31Å; Y691-E693 VanDerWaalsContact CE2-OE2 3.24Å; Y691-E693 WeakPolarHBondContact CE2-OE2 3.45Å; Y691-E693 VanDerWaalsContact CZ-OE2 3.31Å; Y691-E693 PolarHBondContact O-N 3.23Å; Y691-E693 PolarHBondContact OH-OE2 3.18Å; E693-N697 HydrophobicContact CG-CB 4.07Å; E693-N697 PolarHBondContact OE1-ND2 3.08Å; E693-V698 HydrophobicContact CB-CG2 4.19Å; E693-V698 HydrophobicContact CG-CG2 3.72Å; E693-R707 CarbonylContact O-C 3.51Å; E693-R707 WeakPolarHBondContact O-CA 3.24Å; E693-R707 VanDerWaalsContact O-CB 3.26Å; E693-R707 WeakPolarHBondContact O-CB 3.45Å; E693-M708 PolarHBondContact N-O 3.17Å; E693-M708 PolarHBondContact O-N 3.36Å; E693-I710 HydrophobicContact CB-CG1 3.51Å; E693-I710 HydrophobicContact CG-CG1 4.19Å; E693-K849 IonicContact OE1-NZ 2.69Å; E693-K849 WeakPolarHBondContact OE2-CE 3.34Å; E693-K849 IonicContact OE2-NZ 3.8Å; E693-K849 PolarHBondContact OE2-NZ 3.09Å; E693-N853 PolarHBondContact OE1-ND2 2.89Å; E693-N853 PolarHBondContact OE2-ND2 3.01Å |
| 694 | E | 98.1 | Very high | 95.2 | Very high | 30 Ų | 30 | 38.5 Ų | 38.5 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 130.6 | 173.4 | -56.5 | -61.8 | 141.9 | 0 | 0 | 110.1 | R696 N697 N853 R854 | E694-R696 HydrophobicContact CB-CG 3.94Å; E694-R696 PolarHBondContact O-N 3.09Å; E694-R696 VanDerWaalsContact O-N 3.13Å; E694-N697 WeakPolarHBondContact O-CB 3.17Å; E694-N697 PolarHBondContact O-N 3.35Å; E694-N853 HydrophobicContact CG-CB 4.23Å; E694-R854 IonicContact OE1-NE 2.66Å |
| 695 | M | 97.4 | Very high | 95.2 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.025 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -55.6 | -35.5 | -176.8 | -82.3 | -65.6 | -56.6 | 0 | 0 | 113 | N697 V698 V701 G703 H705 G706 M708 | M695-N697 PolarHBondContact O-N 2.97Å; M695-V698 PolarHBondContact O-N 3.21Å; M695-V701 HydrophobicContact CE-CB 4.26Å; M695-V701 HydrophobicContact CE-CG1 4.04Å; M695-G703 WeakPolarHBondContact CE-O 3.41Å; M695-H705 WeakPolarHBondContact CG-O 3.26Å; M695-G706 WeakPolarHBondContact CB-O 3.36Å; M695-G706 WeakPolarHBondContact CG-O 3.42Å; M695-G706 PolarHBondContact N-O 3.31Å; M695-M708 HydrophobicContact CE-CE 4.37Å; M695-M708 HydrophobicContact SD-CB 3.65Å; M695-M708 HydrophobicContact SD-CE 3.76Å |
| 696 | R | 96.8 | Very high | 95.5 | Very high | 146 Ų | 146 | 45.3 Ų | 45.3 | 55% | 0.551 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -55.2 | -21 | 173.9 | 65 | 169.8 | 176 | -101 | 2.2 | 115 | E694 D704 N853 | E694-R696 HydrophobicContact CB-CG 3.94Å; E694-R696 PolarHBondContact O-N 3.09Å; E694-R696 VanDerWaalsContact O-N 3.13Å; R696-D704 PolarHBondContact N-O 3.17Å; R696-N853 PolarHBondContact NH2-O 2.66Å |
| 697 | N | 97.6 | Very high | 95.6 | Very high | 37 Ų | 37 | 48.4 Ų | 48.4 | 20% | 0.198 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -96.8 | -10.7 | 178.3 | -63.2 | -27.9 | 0 | 0 | 0 | 112.6 | L505 E693 E694 M695 E699 N853 | L505-N697 WeakPolarHBondContact CB-O 3.42Å; E693-N697 HydrophobicContact CG-CB 4.07Å; E693-N697 PolarHBondContact OE1-ND2 3.08Å; E694-N697 WeakPolarHBondContact O-CB 3.17Å; E694-N697 PolarHBondContact O-N 3.35Å; M695-N697 PolarHBondContact O-N 2.97Å; N697-E699 PolarHBondContact O-N 3.48Å; N697-N853 PolarHBondContact ND2-OD1 3.46Å |
| 698 | V | 96.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | trans | -95.5 | 74.2 | -175.8 | -170.8 | 0 | 0 | 0 | 0 | 109.2 | L505 P519 E693 M695 M700 V701 I710 | L505-V698 HydrophobicContact CD2-CG2 4.4Å; P519-V698 HydrophobicContact CG-CG1 4.18Å; E693-V698 HydrophobicContact CB-CG2 4.19Å; E693-V698 HydrophobicContact CG-CG2 3.72Å; M695-V698 PolarHBondContact O-N 3.21Å; V698-M700 PolarHBondContact O-N 3.29Å; V698-V701 HydrophobicContact CG1-CB 4.3Å; V698-V701 HydrophobicContact CG1-CG2 4.11Å; V698-V701 PolarHBondContact O-N 3.18Å; V698-V701 VanDerWaalsContact O-N 3.16Å; V698-I710 HydrophobicContact CG1-CD1 4.08Å; V698-I710 HydrophobicContact CG2-CD1 3.97Å; V698-I710 HydrophobicContact CG2-CG1 4.49Å | ||
| 699 | E | 96.3 | Very high | 95.7 | Very high | 93 Ų | 93 | 47.8 Ų | 47.8 | 44% | 0.435 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -11.6 | -172.8 | -61.4 | -180 | -173.7 | 0 | 0 | 114.2 | L505 S506 K507 N697 | L505-E699 PolarHBondContact O-N 3.29Å; S506-E699 VanDerWaalsContact CA-OE2 3.22Å; S506-E699 WeakPolarHBondContact CA-OE2 3.33Å; S506-E699 WeakPolarHBondContact CB-OE2 2.89Å; S506-E699 PolarHBondContact OG-OE2 3.07Å; K507-E699 HydrophobicContact CB-CB 3.82Å; K507-E699 PolarHBondContact N-OE2 2.65Å; N697-E699 PolarHBondContact O-N 3.48Å |
| 700 | M | 92.1 | Very high | 95.7 | Very high | 82 Ų | 82 | 47.7 Ų | 47.7 | 40% | 0.404 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -14.4 | 179.4 | -62.2 | -56.5 | -65.1 | 0 | 0 | 114.1 | K507 Q510 P519 V698 | K507-M700 HydrophobicContact CB-SD 4.03Å; K507-M700 HydrophobicContact CG-SD 4.06Å; Q510-M700 HydrophobicContact CB-SD 3.98Å; Q510-M700 HydrophobicContact CG-CE 4.04Å; Q510-M700 HydrophobicContact CG-CG 4.24Å; Q510-M700 HydrophobicContact CG-SD 3.91Å; P519-M700 HydrophobicContact CG-CB 4.42Å; V698-M700 PolarHBondContact O-N 3.29Å |
| 701 | V | 93.3 | Very high | 95.7 | Very high | 18 Ų | 18 | 48 Ų | 48 | 11% | 0.109 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -123.3 | 129.3 | -179.6 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | P519 M695 V698 G703 M708 | P519-V701 HydrophobicContact CB-CG2 3.69Å; P519-V701 HydrophobicContact CG-CG2 3.67Å; M695-V701 HydrophobicContact CE-CB 4.26Å; M695-V701 HydrophobicContact CE-CG1 4.04Å; V698-V701 HydrophobicContact CG1-CB 4.3Å; V698-V701 HydrophobicContact CG1-CG2 4.11Å; V698-V701 PolarHBondContact O-N 3.18Å; V698-V701 VanDerWaalsContact O-N 3.16Å; V701-G703 PolarHBondContact O-N 3.45Å; V701-M708 HydrophobicContact CG1-CE 4.08Å; V701-M708 HydrophobicContact CG2-CE 4.49Å; V701-M708 HydrophobicContact CG2-SD 4.28Å |
| 702 | D | 90.6 | Very high | 95.7 | Very high | 149 Ų | 149 | 48 Ų | 48 | 80% | 0.797 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -64.1 | 133.8 | 178.9 | -64.7 | -35.4 | 0 | 0 | 0 | 111.5 | ||
| 703 | G | 90.2 | Very high | 95.6 | Very high | 49 Ų | 49 | 48.5 Ų | 48.5 | 51% | 0.505 | 26% | 0.256 | S | S | . | . | trans | 115.4 | 142.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | M695 V701 | M695-G703 WeakPolarHBondContact CE-O 3.41Å; V701-G703 PolarHBondContact O-N 3.45Å | ||
| 704 | D | 91.9 | Very high | 95.6 | Very high | 101 Ų | 101 | 48.5 Ų | 48.5 | 54% | 0.54 | 26% | 0.256 | S | S | . | . | trans | -112.8 | -10.6 | -176.9 | 61.4 | -15.6 | 0 | 0 | 0 | 113.3 | R696 | R696-D704 PolarHBondContact N-O 3.17Š| ||
| 705 | H | 91.9 | Very high | 95.6 | Very high | 163 Ų | 163 | 47.1 Ų | 47.1 | 76% | 0.755 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -90.2 | 134.5 | -177.6 | -67.1 | -53.6 | 0 | 0 | 0 | 113.6 | M695 | M695-H705 WeakPolarHBondContact CG-O 3.26Š|
| 706 | G | 94.4 | Very high | 95.6 | Very high | 51 Ų | 51 | 47.4 Ų | 47.4 | 53% | 0.526 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 87.2 | -155.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | M695 | M695-G706 WeakPolarHBondContact CB-O 3.36Å; M695-G706 WeakPolarHBondContact CG-O 3.42Å; M695-G706 PolarHBondContact N-O 3.31Å |
| 707 | R | 95.6 | Very high | 95.6 | Very high | 74 Ų | 74 | 40.5 Ų | 40.5 | 28% | 0.279 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 162.5 | -175.4 | -62.2 | 179.9 | -63.1 | 174.8 | 8.3 | 110.5 | R523 E678 M692 E693 | R523-R707 VanDerWaalsContact CA-O 3.27Å; R523-R707 WeakPolarHBondContact CA-O 3.03Å; R523-R707 WeakPolarHBondContact CB-O 3.46Å; E678-R707 IonicContact OE1-CZ 3.21Å; E678-R707 IonicContact OE1-NH1 2.96Å; E678-R707 PolarHBondContact OE1-NH1 3.12Å; E678-R707 IonicContact OE1-NH2 3.82Å; M692-R707 HydrophobicContact CE-CB 3.69Å; E693-R707 CarbonylContact O-C 3.51Å; E693-R707 WeakPolarHBondContact O-CA 3.24Å; E693-R707 VanDerWaalsContact O-CB 3.26Å; E693-R707 WeakPolarHBondContact O-CB 3.45Å |
| 708 | M | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 136.9 | 172.8 | -175.9 | 169.3 | -63.7 | 0 | 0 | 110.1 | P519 V522 R523 E693 M695 V701 I710 | P519-M708 HydrophobicContact CB-SD 3.53Å; P519-M708 VanDerWaalsContact CB-SD 3.53Å; V522-M708 CarbonylContact O-C 3.58Å; V522-M708 WeakPolarHBondContact O-CA 3.46Å; R523-M708 HydrophobicContact CG-CE 4.19Å; E693-M708 PolarHBondContact N-O 3.17Å; E693-M708 PolarHBondContact O-N 3.36Å; M695-M708 HydrophobicContact CE-CE 4.37Å; M695-M708 HydrophobicContact SD-CB 3.65Å; M695-M708 HydrophobicContact SD-CE 3.76Å; V701-M708 HydrophobicContact CG1-CE 4.08Å; V701-M708 HydrophobicContact CG2-CE 4.49Å; V701-M708 HydrophobicContact CG2-SD 4.28Å; M708-I710 PolarHBondContact O-N 3.19Å |
| 709 | C | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 128.3 | 170.9 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | S520 V522 V664 M667 Y691 M692 | S520-C709 VanDerWaalsContact CB-O 3.3Å; S520-C709 WeakPolarHBondContact CB-O 3.48Å; S520-C709 PolarHBondContact N-O 3.02Å; S520-C709 VanDerWaalsContact N-O 3.08Å; S520-C709 WeakPolarHBondContact OG-CB 3.4Å; S520-C709 PolarHBondContact OG-O 2.96Å; V522-C709 HydrophobicContact CB-CB 4.18Å; V522-C709 PolarHBondContact O-N 3.3Å; V664-C709 HydrophobicContact CG1-CB 4.41Å; M667-C709 HydrophobicContact CE-CB 3.93Å; M667-C709 WeakPolarHBondContact CE-SG 3.27Å; Y691-C709 CarbonylContact O-C 3.58Å; Y691-C709 WeakPolarHBondContact O-CA 3.47Å; M692-C709 HydrophobicContact SD-CB 3.66Å |
| 710 | I | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 123.3 | 178.1 | -63 | -60.6 | 0 | 0 | 0 | 109 | L505 M517 C690 Y691 E693 V698 M708 | L505-I710 HydrophobicContact CD2-CD1 4.28Å; L505-I710 HydrophobicContact CD2-CG1 4.26Å; M517-I710 VanDerWaalsContact CA-CG2 3.46Å; M517-I710 HydrophobicContact CB-CG2 3.8Å; M517-I710 HydrophobicContact CE-CG2 3.71Å; M517-I710 HydrophobicContact SD-CG2 4.27Å; C690-I710 CarbonylContact C-O 3.55Å; C690-I710 WeakPolarHBondContact CA-O 3.16Å; C690-I710 WeakPolarHBondContact CB-O 3.27Å; Y691-I710 HydrophobicContact CE1-CB 4.4Å; Y691-I710 PolarHBondContact N-O 2.84Å; Y691-I710 VanDerWaalsContact N-O 3.12Å; Y691-I710 PolarHBondContact O-N 2.95Å; E693-I710 HydrophobicContact CB-CG1 3.51Å; E693-I710 HydrophobicContact CG-CG1 4.19Å; V698-I710 HydrophobicContact CG1-CD1 4.08Å; V698-I710 HydrophobicContact CG2-CD1 3.97Å; V698-I710 HydrophobicContact CG2-CG1 4.49Å; M708-I710 PolarHBondContact O-N 3.19Å |
| 711 | N | 98.1 | Very high | 96 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.027 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 113.1 | 165.1 | 172.5 | 13.1 | 0 | 0 | 0 | 108.6 | M517 L518 N661 N688 E713 | M517-N711 CarbonylContact C-O 3.49Å; L518-N711 HydrophobicContact CB-CB 4.36Å; L518-N711 PolarHBondContact N-O 2.92Å; L518-N711 PolarHBondContact O-N 3.31Å; N661-N711 HydrophobicContact CB-CB 4.48Å; N661-N711 PolarHBondContact ND2-ND2 3.17Å; N688-N711 PolarHBondContact ND2-OD1 3.28Å; N711-E713 VanDerWaalsContact C-N 3.34Å; N711-E713 PolarHBondContact ND2-OE1 2.94Å; N711-E713 PolarHBondContact O-N 3.42Å; N711-E713 PolarHBondContact OD1-N 3.06Å; N711-E713 PolarHBondContact OD1-OE1 2.71Å |
| 712 | M | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -69.8 | -33.9 | -172.3 | -62.6 | 175.9 | 62 | 0 | 0 | 112.7 | M497 M501 V515 K516 M517 A689 Y691 W714 V846 | M497-M712 HydrophobicContact SD-CE 4.07Å; M501-M712 HydrophobicContact CE-CE 3.93Å; M501-M712 HydrophobicContact CE-SD 4.47Å; M501-M712 HydrophobicContact CG-CE 3.84Å; M501-M712 HydrophobicContact SD-CE 3.94Å; V515-M712 HydrophobicContact CG1-CB 4.33Å; V515-M712 WeakPolarHBondContact CG1-O 3.39Å; K516-M712 PolarHBondContact N-O 3.47Å; M517-M712 HydrophobicContact CE-CG 4.28Å; M517-M712 PolarHBondContact N-O 3.09Å; M517-M712 VanDerWaalsContact N-O 3.17Å; M517-M712 HydrophobicContact SD-CB 4.04Å; M517-M712 HydrophobicContact SD-CE 4.45Å; M517-M712 HydrophobicContact SD-CG 3.88Å; A689-M712 HydrophobicContact CB-SD 3.87Å; A689-M712 VanDerWaalsContact O-CB 3.24Å; A689-M712 WeakPolarHBondContact O-CB 3.35Å; A689-M712 VanDerWaalsContact O-CG 3.28Å; A689-M712 WeakPolarHBondContact O-CG 3.37Å; A689-M712 PolarHBondContact O-N 3.42Å; Y691-M712 HydrophobicContact CD1-CG 4.14Å; Y691-M712 HydrophobicContact CD1-SD 4.01Å; Y691-M712 HydrophobicContact CE1-CG 4.1Å; Y691-M712 HydrophobicContact CE1-SD 4.2Å; M712-W714 HydrophobicContact CB-CB 4Å; M712-W714 HydrophobicContact CE-CB 4.15Å; M712-W714 HydrophobicContact CE-CE3 3.97Å; M712-W714 PolarHBondContact O-N 3.39Å; M712-W714 HydrophobicContact SD-CE3 4.16Å; M712-V846 HydrophobicContact CE-CG2 3.77Å; M712-V846 HydrophobicContact SD-CG2 3.55Å; M712-V846 VanDerWaalsContact SD-CG2 3.55Å | ||
| 713 | E | 97.1 | Very high | 96.5 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | trans | 48.2 | 48.2 | -162.1 | -66.1 | -60.8 | 158.8 | 0 | 0 | 110.9 | L518 P610 N661 N688 N711 G715 | L518-E713 HydrophobicContact CD1-CG 3.68Å; L518-E713 HydrophobicContact CG-CG 4.49Å; P610-E713 HydrophobicContact CB-CG 3.99Å; P610-E713 HydrophobicContact CG-CG 4.22Å; P610-E713 WeakPolarHBondContact CG-OE2 3.47Å; N661-E713 PolarHBondContact ND2-OE1 3.42Å; N688-E713 VanDerWaalsContact OD1-CA 3.24Å; N688-E713 WeakPolarHBondContact OD1-CA 3.43Å; N688-E713 PolarHBondContact OD1-N 3.22Å; N688-E713 VanDerWaalsContact OD1-N 3.12Å; N711-E713 VanDerWaalsContact C-N 3.34Å; N711-E713 PolarHBondContact ND2-OE1 2.94Å; N711-E713 PolarHBondContact O-N 3.42Å; N711-E713 PolarHBondContact OD1-N 3.06Å; N711-E713 PolarHBondContact OD1-OE1 2.71Å; E713-G715 PolarHBondContact O-N 2.89Å | ||
| 714 | W | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -68.7 | -8.3 | -169.9 | 77.4 | -0.6 | 0 | 0 | 0 | 113.5 | M497 L681 S687 N688 A689 M712 A716 F717 Y746 V843 | M497-W714 HydrophobicContact CE-CB 4.1Å; M497-W714 HydrophobicContact CE-CE3 4.28Å; L681-W714 HydrophobicContact CD1-CH2 3.37Å; L681-W714 HydrophobicContact CD1-CZ2 3.35Å; S687-W714 PolarHBondContact O-NE1 2.68Å; S687-W714 PolarHBondContact OG-NE1 3.17Å; S687-W714 VanDerWaalsContact OG-NE1 3.1Å; N688-W714 VanDerWaalsContact CA-CD1 3.41Å; N688-W714 PolarHBondContact OD1-N 2.98Å; N688-W714 VanDerWaalsContact OD1-N 3.1Å; A689-W714 HydrophobicContact CB-CD2 3.85Å; A689-W714 HydrophobicContact CB-CE3 3.56Å; A689-W714 HydrophobicContact CB-CH2 3.67Å; A689-W714 HydrophobicContact CB-CZ2 3.94Å; A689-W714 HydrophobicContact CB-CZ3 3.46Å; A689-W714 VanDerWaalsContact CB-CZ3 3.46Å; M712-W714 HydrophobicContact CB-CB 4Å; M712-W714 HydrophobicContact CE-CB 4.15Å; M712-W714 HydrophobicContact CE-CE3 3.97Å; M712-W714 PolarHBondContact O-N 3.39Å; M712-W714 HydrophobicContact SD-CE3 4.16Å; W714-A716 PolarHBondContact O-N 2.98Å; W714-F717 WeakPolarHBondContact O-CB 3.43Å; W714-F717 PolarHBondContact O-N 2.69Å; W714-Y746 HydrophobicContact CD2-CE1 4.16Å; W714-Y746 HydrophobicContact CG-CD1 4.45Å; W714-Y746 HydrophobicContact CG-CE1 4.28Å; W714-Y746 WeakPolarHBondContact O-CD1 3.26Å; W714-V843 HydrophobicContact CH2-CG2 3.81Å; W714-V843 HydrophobicContact CZ3-CG2 4.19Å |
| 715 | G | 97 | Very high | 97.1 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -64.1 | -30.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E713 F717 Q744 R745 Y746 E747 | E713-G715 PolarHBondContact O-N 2.89Å; G715-F717 PolarHBondContact O-N 2.81Å; G715-Q744 CarbonylContact O-C 3.53Å; G715-Q744 WeakPolarHBondContact O-CA 3.1Å; G715-R745 PolarHBondContact O-N 3.09Å; G715-Y746 PolarHBondContact O-N 3.27Å; G715-E747 PolarHBondContact O-N 3.07Å; G715-E747 VanDerWaalsContact O-N 3.15Å |
| 716 | A | 97.2 | Very high | 97.3 | Very high | 11 Ų | 11 | 23.2 Ų | 23.2 | 9% | 0.091 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -75.7 | -2.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V514 W714 G718 D719 | V514-A716 WeakPolarHBondContact CB-O 3.41Å; V514-A716 WeakPolarHBondContact O-CB 3.4Å; W714-A716 PolarHBondContact O-N 2.98Å; A716-G718 PolarHBondContact O-N 3.49Å; A716-D719 WeakPolarHBondContact CA-OD2 3.32Å; A716-D719 WeakPolarHBondContact CB-OD2 3.47Å; A716-D719 WeakPolarHBondContact O-CB 2.97Å; A716-D719 PolarHBondContact O-N 2.88Å |
| 717 | F | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 133.4 | 172.1 | 177.9 | -136.5 | 0 | 0 | 0 | 110 | V493 R496 M497 E500 V515 W714 G715 C722 L723 Y746 | V493-F717 HydrophobicContact CG1-CE1 4.06Å; R496-F717 HydrophobicContact CB-CE2 4.03Å; R496-F717 HydrophobicContact CB-CZ 3.75Å; M497-F717 HydrophobicContact CB-CE1 4.11Å; M497-F717 HydrophobicContact CB-CZ 4.11Å; M497-F717 HydrophobicContact CE-CB 3.91Å; M497-F717 HydrophobicContact CE-CD1 3.25Å; M497-F717 HydrophobicContact CE-CE1 3.84Å; M497-F717 HydrophobicContact CE-CG 3.66Å; M497-F717 HydrophobicContact SD-CD1 4.26Å; M497-F717 HydrophobicContact SD-CG 4.26Å; E500-F717 HydrophobicContact CB-CD2 4.39Å; E500-F717 HydrophobicContact CG-CD2 3.96Å; E500-F717 HydrophobicContact CG-CE2 3.95Å; V515-F717 HydrophobicContact CG2-CB 3.81Å; V515-F717 HydrophobicContact CG2-CD2 4.28Å; V515-F717 HydrophobicContact CG2-CG 4.39Å; W714-F717 WeakPolarHBondContact O-CB 3.43Å; W714-F717 PolarHBondContact O-N 2.69Å; G715-F717 PolarHBondContact O-N 2.81Å; F717-C722 WeakPolarHBondContact CE2-SG 3.37Å; F717-L723 HydrophobicContact CD1-CD1 3.61Å; F717-L723 HydrophobicContact CD1-CD2 4.46Å; F717-L723 HydrophobicContact CD1-CG 4.31Å; F717-L723 HydrophobicContact CE1-CD1 3.68Å; F717-L723 HydrophobicContact CE1-CD2 3.69Å; F717-L723 HydrophobicContact CE1-CG 3.99Å; F717-L723 HydrophobicContact CE2-CD2 4.42Å; F717-L723 HydrophobicContact CE2-CG 4.39Å; F717-L723 HydrophobicContact CG-CD1 4.08Å; F717-L723 HydrophobicContact CZ-CD1 4.2Å; F717-L723 HydrophobicContact CZ-CD2 3.64Å; F717-L723 HydrophobicContact CZ-CG 4.01Å; F717-Y746 HydrophobicContact CB-CD1 4.17Å; F717-Y746 HydrophobicContact CB-CG 4.06Å; F717-Y746 HydrophobicContact CD1-CD1 4.08Å; F717-Y746 AromaticContact CD1-CD2 3.62Å; F717-Y746 HydrophobicContact CD1-CD2 3.62Å; F717-Y746 HydrophobicContact CD1-CE1 4.31Å; F717-Y746 AromaticContact CD1-CE2 3.88Å; F717-Y746 HydrophobicContact CD1-CE2 3.88Å; F717-Y746 AromaticContact CD1-CG 3.71Å; F717-Y746 HydrophobicContact CD1-CG 3.71Å; F717-Y746 HydrophobicContact CE1-CD2 4.22Å; F717-Y746 HydrophobicContact CE1-CE2 4.2Å; F717-Y746 HydrophobicContact CG-CG 4.37Å; F717-Y746 WeakPolarHBondContact O-CB 3.48Å; F717-Y746 PolarHBondContact O-N 3.42Å; F717-Y746 VanDerWaalsContact O-N 3.12Å |
| 718 | G | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | -7.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116 | A716 N720 G721 R745 | A716-G718 PolarHBondContact O-N 3.49Å; G718-N720 PolarHBondContact O-N 2.82Å; G718-N720 VanDerWaalsContact O-N 3.16Å; G718-G721 WeakPolarHBondContact O-CA 3.18Å; G718-G721 PolarHBondContact O-N 3.38Å; G718-R745 VanDerWaalsContact O-CD 3.29Å; G718-R745 WeakPolarHBondContact O-CD 3.42Å; G718-R745 PolarHBondContact O-NH1 2.82Å |
| 719 | D | 97.9 | Very high | 97.6 | Very high | 23 Ų | 23 | 23.7 Ų | 23.7 | 12% | 0.123 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.5 | 176.8 | -74 | 4.3 | 0 | 0 | 0 | 112.9 | V514 A716 G721 K743 Q744 R745 | V514-D719 HydrophobicContact CB-CB 4.29Å; V514-D719 HydrophobicContact CG1-CB 4.03Å; A716-D719 WeakPolarHBondContact CA-OD2 3.32Å; A716-D719 WeakPolarHBondContact CB-OD2 3.47Å; A716-D719 WeakPolarHBondContact O-CB 2.97Å; A716-D719 PolarHBondContact O-N 2.88Å; D719-G721 VanDerWaalsContact C-N 3.3Å; D719-K743 VanDerWaalsContact OD2-CA 3.29Å; D719-K743 WeakPolarHBondContact OD2-CA 3.17Å; D719-K743 WeakPolarHBondContact OD2-CD 3.44Å; D719-Q744 PolarHBondContact OD1-N 3.37Å; D719-Q744 PolarHBondContact OD2-N 2.9Å; D719-Q744 VanDerWaalsContact OD2-N 3.1Å; D719-R745 WeakPolarHBondContact OD1-CG 3.43Å; D719-R745 PolarHBondContact OD1-N 2.81Å |
| 720 | N | 97.2 | Very high | 97.6 | Very high | 75 Ų | 75 | 24.3 Ų | 24.3 | 40% | 0.401 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 7 | 172.8 | 62.3 | 1.4 | 0 | 0 | 0 | 113.7 | E500 V514 G718 C722 | E500-N720 PolarHBondContact OE1-ND2 2.73Å; V514-N720 HydrophobicContact CG1-CB 3.78Å; V514-N720 HydrophobicContact CG2-CB 4.5Å; G718-N720 PolarHBondContact O-N 2.82Å; G718-N720 VanDerWaalsContact O-N 3.16Å; N720-C722 VanDerWaalsContact OD1-CB 3.32Å; N720-C722 WeakPolarHBondContact OD1-CB 3.31Å; N720-C722 PolarHBondContact OD1-N 3.3Å; N720-C722 VanDerWaalsContact OD1-N 3.16Å; N720-C722 PolarHBondContact OD1-SG 3.32Å |
| 721 | G | 97.3 | Very high | 97.6 | Very high | 24 Ų | 24 | 24.6 Ų | 24.6 | 25% | 0.247 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | 0.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | G718 D719 L723 D724 | G718-G721 WeakPolarHBondContact O-CA 3.18Å; G718-G721 PolarHBondContact O-N 3.38Å; D719-G721 VanDerWaalsContact C-N 3.3Å; G721-L723 PolarHBondContact O-N 3.21Å; G721-D724 WeakPolarHBondContact CA-OD2 3.5Å; G721-D724 WeakPolarHBondContact O-CB 3.33Å; G721-D724 PolarHBondContact O-N 2.86Å |
| 722 | C | 97.5 | Very high | 97.6 | Very high | 28 Ų | 28 | 27.5 Ų | 27.5 | 19% | 0.189 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 1.8 | -178.4 | 76.5 | 0 | 0 | 0 | 0 | 114.9 | R496 F717 N720 | R496-C722 VanDerWaalsContact CD-O 3.26Å; R496-C722 WeakPolarHBondContact CD-O 3.32Å; R496-C722 PolarHBondContact NH1-O 2.91Å; F717-C722 WeakPolarHBondContact CE2-SG 3.37Å; N720-C722 VanDerWaalsContact OD1-CB 3.32Å; N720-C722 WeakPolarHBondContact OD1-CB 3.31Å; N720-C722 PolarHBondContact OD1-N 3.3Å; N720-C722 VanDerWaalsContact OD1-N 3.16Å; N720-C722 PolarHBondContact OD1-SG 3.32Å |
| 723 | L | 97.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | 7.1 | 173.2 | -67.2 | -178.6 | 0 | 0 | 0 | 112.9 | V493 F717 G721 D725 F726 R727 Y746 M749 | V493-L723 HydrophobicContact CG2-CD2 4.28Å; F717-L723 HydrophobicContact CD1-CD1 3.61Å; F717-L723 HydrophobicContact CD1-CD2 4.46Å; F717-L723 HydrophobicContact CD1-CG 4.31Å; F717-L723 HydrophobicContact CE1-CD1 3.68Å; F717-L723 HydrophobicContact CE1-CD2 3.69Å; F717-L723 HydrophobicContact CE1-CG 3.99Å; F717-L723 HydrophobicContact CE2-CD2 4.42Å; F717-L723 HydrophobicContact CE2-CG 4.39Å; F717-L723 HydrophobicContact CG-CD1 4.08Å; F717-L723 HydrophobicContact CZ-CD1 4.2Å; F717-L723 HydrophobicContact CZ-CD2 3.64Å; F717-L723 HydrophobicContact CZ-CG 4.01Å; G721-L723 PolarHBondContact O-N 3.21Å; L723-D725 PolarHBondContact O-N 3.37Å; L723-D725 VanDerWaalsContact O-N 3.16Å; L723-F726 HydrophobicContact CD2-CD2 3.82Å; L723-F726 HydrophobicContact CD2-CE2 4.32Å; L723-F726 PolarHBondContact O-N 3.19Å; L723-R727 WeakPolarHBondContact O-CG 3.46Å; L723-R727 PolarHBondContact O-N 3.03Å; L723-Y746 HydrophobicContact CD1-CD2 3.75Å; L723-Y746 HydrophobicContact CD1-CG 4.31Å; L723-M749 HydrophobicContact CB-CE 4.49Å; L723-M749 HydrophobicContact CD1-CE 3.86Å |
| 724 | D | 97.1 | Very high | 97.6 | Very high | 67 Ų | 67 | 28.7 Ų | 28.7 | 36% | 0.358 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.4 | -174.6 | -74.2 | -21.3 | 0 | 0 | 0 | 112.7 | G721 F726 R727 R745 | G721-D724 WeakPolarHBondContact CA-OD2 3.5Å; G721-D724 WeakPolarHBondContact O-CB 3.33Å; G721-D724 PolarHBondContact O-N 2.86Å; D724-F726 VanDerWaalsContact C-N 3.33Å; D724-R727 WeakPolarHBondContact OD1-CD 3.49Å; D724-R727 IonicContact OD1-CZ 3.31Å; D724-R727 IonicContact OD1-NH1 3.09Å; D724-R727 PolarHBondContact OD1-NH1 3.29Å; D724-R745 IonicContact OD1-NH1 3Å; D724-R745 PolarHBondContact OD1-NH1 2.64Å; D724-R745 IonicContact OD2-NH1 2.78Å; D724-R745 PolarHBondContact OD2-NH1 2.72Å |
| 725 | D | 96.2 | Very high | 97.6 | Very high | 94 Ų | 94 | 28.9 Ų | 28.9 | 50% | 0.503 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -18.2 | 171.4 | 56.2 | -23.2 | 0 | 0 | 0 | 114.4 | R496 L723 | R496-D725 IonicContact CZ-OD1 3.26Å; R496-D725 IonicContact CZ-OD2 2.73Å; R496-D725 VanDerWaalsContact CZ-OD2 3.29Å; R496-D725 IonicContact NH1-OD1 2.68Å; R496-D725 PolarHBondContact NH1-OD1 3.18Å; R496-D725 IonicContact NH1-OD2 2.63Å; R496-D725 PolarHBondContact NH1-OD2 2.69Å; R496-D725 IonicContact NH2-OD2 3.68Å; R496-D725 PolarHBondContact NH2-OD2 2.87Å; L723-D725 PolarHBondContact O-N 3.37Å; L723-D725 VanDerWaalsContact O-N 3.16Å |
| 726 | F | 96.4 | Very high | 97.6 | Very high | 21 Ų | 21 | 33.7 Ų | 33.7 | 9% | 0.092 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -6.3 | 177.4 | -54.1 | -64.6 | 0 | 0 | 0 | 113.2 | M485 Q489 E492 V493 L723 D724 | M485-F726 HydrophobicContact CE-CD1 3.81Å; M485-F726 HydrophobicContact CE-CE1 4.26Å; M485-F726 HydrophobicContact CE-CG 4.26Å; M485-F726 HydrophobicContact SD-CD1 4.18Å; Q489-F726 HydrophobicContact CB-CD1 4.39Å; Q489-F726 HydrophobicContact CB-CE1 3.7Å; Q489-F726 HydrophobicContact CB-CZ 4.48Å; Q489-F726 HydrophobicContact CG-CE1 3.89Å; E492-F726 HydrophobicContact CB-CZ 4.33Å; E492-F726 HydrophobicContact CG-CZ 4.15Å; V493-F726 HydrophobicContact CG2-CD2 3.76Å; V493-F726 HydrophobicContact CG2-CE2 3.63Å; V493-F726 HydrophobicContact CG2-CG 4.24Å; V493-F726 HydrophobicContact CG2-CZ 4.04Å; L723-F726 HydrophobicContact CD2-CD2 3.82Å; L723-F726 HydrophobicContact CD2-CE2 4.32Å; L723-F726 PolarHBondContact O-N 3.19Å; D724-F726 VanDerWaalsContact C-N 3.33Å |
| 727 | R | 98 | Very high | 97.3 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 8% | 0.083 | 20% | 0.204 | C | C | . | . | trans | -84.1 | 140.9 | 176.2 | -70.7 | 175.9 | 72 | -160.7 | 7.7 | 110.3 | L723 D724 D731 H732 D735 R745 M749 | L723-R727 WeakPolarHBondContact O-CG 3.46Å; L723-R727 PolarHBondContact O-N 3.03Å; D724-R727 WeakPolarHBondContact OD1-CD 3.49Å; D724-R727 IonicContact OD1-CZ 3.31Å; D724-R727 IonicContact OD1-NH1 3.09Å; D724-R727 PolarHBondContact OD1-NH1 3.29Å; R727-D731 HydrophobicContact CB-CB 4.26Å; R727-D731 HydrophobicContact CG-CB 4.46Å; R727-H732 VanDerWaalsContact CZ-CE1 3.43Å; R727-H732 PolarHBondContact NH1-CE1 3.36Å; R727-H732 PolarHBondContact NH2-ND1 2.99Å; R727-D735 IonicContact CZ-OD2 3.99Å; R727-D735 IonicContact NH2-OD2 2.72Å; R727-D735 PolarHBondContact NH2-OD2 2.68Å; R727-R745 VanDerWaalsContact NH1-CZ 3.31Å; R727-M749 HydrophobicContact CG-CE 4.24Å; R727-M749 HydrophobicContact CG-SD 3.83Å | ||
| 728 | T | 98.3 | Very high | 97 | Very high | 9 Ų | 9 | 38.1 Ų | 38.1 | 6% | 0.055 | 21% | 0.212 | C | C | . | . | trans | -99.1 | 165.7 | 175.1 | 70.1 | 0 | 0 | 0 | 0 | 110.6 | K482 F483 Y730 D731 H732 | K482-T728 HydrophobicContact CB-CG2 3.92Å; F483-T728 HydrophobicContact CD1-CG2 4.44Å; F483-T728 HydrophobicContact CE1-CG2 4.12Å; F483-T728 HydrophobicContact CE2-CG2 4.28Å; F483-T728 HydrophobicContact CZ-CG2 4.03Å; T728-Y730 PolarHBondContact O-N 2.85Å; T728-Y730 VanDerWaalsContact O-N 3.09Å; T728-Y730 PolarHBondContact OG1-N 3.41Å; T728-D731 WeakPolarHBondContact CB-OD2 3.45Å; T728-D731 PolarHBondContact N-OD2 3.1Å; T728-D731 WeakPolarHBondContact O-CB 3.43Å; T728-D731 PolarHBondContact O-N 3.13Å; T728-D731 PolarHBondContact OG1-N 3.19Å; T728-D731 PolarHBondContact OG1-OD2 3.35Å; T728-H732 PolarHBondContact O-CD2 2.92Å; T728-H732 PolarHBondContact O-N 3.28Å; T728-H732 VanDerWaalsContact O-N 3.09Å | ||
| 729 | D | 97.8 | Very high | 96.5 | Very high | 103 Ų | 103 | 43.3 Ų | 43.3 | 55% | 0.551 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -52.7 | -31.7 | 171.6 | -50.6 | -49.8 | 0 | 0 | 0 | 112.1 | K482 A733 | K482-D729 IonicContact NZ-OD2 2.78Å; K482-D729 PolarHBondContact NZ-OD2 3.28Å; D729-A733 PolarHBondContact O-N 3.36Å |
| 730 | Y | 98.4 | Very high | 95.9 | Very high | 14 Ų | 14 | 43.5 Ų | 43.5 | 6% | 0.055 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73 | -35.3 | 177.7 | -49.1 | -74.9 | 0 | 0 | 0 | 112.2 | I479 F483 T728 A733 V734 N761 I762 D765 | I479-Y730 HydrophobicContact CG2-CE2 4.04Å; I479-Y730 VanDerWaalsContact CG2-OH 3.29Å; I479-Y730 WeakPolarHBondContact CG2-OH 3.34Å; F483-Y730 AromaticContact CE2-CD2 3.69Å; F483-Y730 HydrophobicContact CE2-CD2 3.69Å; F483-Y730 AromaticContact CE2-CE2 3.99Å; F483-Y730 HydrophobicContact CE2-CE2 3.99Å; F483-Y730 AromaticContact CZ-CD2 3.54Å; F483-Y730 HydrophobicContact CZ-CD2 3.54Å; F483-Y730 HydrophobicContact CZ-CE2 4.31Å; F483-Y730 HydrophobicContact CZ-CG 4.21Å; T728-Y730 PolarHBondContact O-N 2.85Å; T728-Y730 VanDerWaalsContact O-N 3.09Å; T728-Y730 PolarHBondContact OG1-N 3.41Å; Y730-A733 PolarHBondContact O-N 3.09Å; Y730-V734 WeakPolarHBondContact O-CG2 3.23Å; Y730-V734 PolarHBondContact O-N 3.43Å; Y730-N761 HydrophobicContact CD1-CB 4.3Å; Y730-I762 HydrophobicContact CD1-CB 4.44Å; Y730-I762 HydrophobicContact CD1-CG1 3.7Å; Y730-I762 HydrophobicContact CD2-CG1 3.86Å; Y730-I762 HydrophobicContact CE1-CB 4.38Å; Y730-I762 HydrophobicContact CE1-CG1 3.94Å; Y730-I762 HydrophobicContact CE2-CG1 4.06Å; Y730-I762 HydrophobicContact CG-CG1 3.67Å; Y730-D765 HydrophobicContact CE1-CB 3.93Å; Y730-D765 PolarHBondContact OH-OD2 3.14Å |
| 731 | D | 98.4 | Very high | 95.8 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.032 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.7 | -37.1 | 174.5 | -58.3 | -63.6 | 0 | 0 | 0 | 111.4 | R727 T728 D735 I758 R834 | R727-D731 HydrophobicContact CB-CB 4.26Å; R727-D731 HydrophobicContact CG-CB 4.46Å; T728-D731 WeakPolarHBondContact CB-OD2 3.45Å; T728-D731 PolarHBondContact N-OD2 3.1Å; T728-D731 WeakPolarHBondContact O-CB 3.43Å; T728-D731 PolarHBondContact O-N 3.13Å; T728-D731 PolarHBondContact OG1-N 3.19Å; T728-D731 PolarHBondContact OG1-OD2 3.35Å; D731-D735 WeakPolarHBondContact O-CB 3.43Å; D731-D735 PolarHBondContact O-N 2.92Å; D731-I758 VanDerWaalsContact OD1-CD1 3.31Å; D731-I758 WeakPolarHBondContact OD1-CD1 3.23Å; D731-R834 IonicContact OD1-CZ 3.43Å; D731-R834 IonicContact OD1-NH1 3.21Å; D731-R834 PolarHBondContact OD1-NH1 3.36Å; D731-R834 IonicContact OD1-NH2 2.76Å; D731-R834 PolarHBondContact OD1-NH2 3.06Å; D731-R834 IonicContact OD2-CZ 3.55Å; D731-R834 IonicContact OD2-NH1 3.79Å; D731-R834 PolarHBondContact OD2-NH1 3.23Å; D731-R834 IonicContact OD2-NH2 2.62Å |
| 732 | H | 97.8 | Very high | 95.7 | Very high | 65 Ų | 65 | 43.5 Ų | 43.5 | 30% | 0.301 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.3 | -47.2 | 171.7 | -72.6 | -73 | 0 | 0 | 0 | 111.4 | R727 T728 V734 D735 D736 | R727-H732 VanDerWaalsContact CZ-CE1 3.43Å; R727-H732 PolarHBondContact NH1-CE1 3.36Å; R727-H732 PolarHBondContact NH2-ND1 2.99Å; T728-H732 PolarHBondContact O-CD2 2.92Å; T728-H732 PolarHBondContact O-N 3.28Å; T728-H732 VanDerWaalsContact O-N 3.09Å; H732-V734 VanDerWaalsContact C-N 3.3Å; H732-V734 PolarHBondContact O-N 3.37Å; H732-D735 WeakPolarHBondContact O-CB 3.43Å; H732-D735 PolarHBondContact O-N 3.02Å; H732-D735 VanDerWaalsContact O-N 3.08Å; H732-D736 WeakPolarHBondContact O-CB 3.36Å; H732-D736 VanDerWaalsContact O-CG 3.24Å; H732-D736 PolarHBondContact O-N 3.14Å |
| 733 | A | 97.3 | Very high | 95.6 | Very high | 29 Ų | 29 | 48 Ų | 48 | 24% | 0.24 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60 | -37.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D729 Y730 L737 | D729-A733 PolarHBondContact O-N 3.36Å; Y730-A733 PolarHBondContact O-N 3.09Å; A733-L737 WeakPolarHBondContact O-CB 3.36Å; A733-L737 WeakPolarHBondContact O-CG 3.34Å; A733-L737 PolarHBondContact O-N 2.83Å |
| 734 | V | 98 | Very high | 95.5 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.7 | -41 | 174.4 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | Y730 H732 S738 Y754 E757 I758 | Y730-V734 WeakPolarHBondContact O-CG2 3.23Å; Y730-V734 PolarHBondContact O-N 3.43Å; H732-V734 VanDerWaalsContact C-N 3.3Å; H732-V734 PolarHBondContact O-N 3.37Å; V734-S738 WeakPolarHBondContact O-CB 3.28Å; V734-S738 PolarHBondContact O-N 2.63Å; V734-Y754 HydrophobicContact CG1-CD1 4.04Å; V734-E757 HydrophobicContact CG1-CB 4.27Å; V734-E757 HydrophobicContact CG2-CB 3.84Å; V734-I758 HydrophobicContact CG2-CG1 3.85Å |
| 735 | D | 97.4 | Very high | 95.5 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.9 | -50 | 178.2 | -171.9 | 25.7 | 0 | 0 | 0 | 112.2 | R727 D731 H732 L737 S738 G742 R745 K748 | R727-D735 IonicContact CZ-OD2 3.99Å; R727-D735 IonicContact NH2-OD2 2.72Å; R727-D735 PolarHBondContact NH2-OD2 2.68Å; D731-D735 WeakPolarHBondContact O-CB 3.43Å; D731-D735 PolarHBondContact O-N 2.92Å; H732-D735 WeakPolarHBondContact O-CB 3.43Å; H732-D735 PolarHBondContact O-N 3.02Å; H732-D735 VanDerWaalsContact O-N 3.08Å; D735-L737 PolarHBondContact O-N 2.81Å; D735-S738 WeakPolarHBondContact O-CB 3.5Å; D735-S738 PolarHBondContact O-N 2.83Å; D735-S738 PolarHBondContact O-OG 2.88Å; D735-G742 PolarHBondContact OD1-N 2.73Å; D735-G742 PolarHBondContact OD2-N 3.06Å; D735-R745 IonicContact OD2-NE 2.75Å; D735-K748 HydrophobicContact CB-CD 4.39Å; D735-K748 IonicContact OD1-NZ 2.73Å; D735-K748 PolarHBondContact OD1-NZ 2.95Å |
| 736 | D | 96.6 | Very high | 95.6 | Very high | 102 Ų | 102 | 43 Ų | 43 | 55% | 0.545 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.7 | -29.5 | -178.3 | -69 | -17.3 | 0 | 0 | 0 | 113.2 | H732 | H732-D736 WeakPolarHBondContact O-CB 3.36Å; H732-D736 VanDerWaalsContact O-CG 3.24Å; H732-D736 PolarHBondContact O-N 3.14Å |
| 737 | L | 92.4 | Very high | 95.7 | Very high | 82 Ų | 82 | 42.4 Ų | 42.4 | 43% | 0.429 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -3.4 | -178.3 | -65.9 | -176.9 | 0 | 0 | 0 | 113.2 | A733 D735 R784 | A733-L737 WeakPolarHBondContact O-CB 3.36Å; A733-L737 WeakPolarHBondContact O-CG 3.34Å; A733-L737 PolarHBondContact O-N 2.83Å; D735-L737 PolarHBondContact O-N 2.81Å; L737-R784 PolarHBondContact O-NH1 3.34Å |
| 738 | S | 91.7 | Very high | 95.7 | Very high | 22 Ų | 22 | 41.7 Ų | 41.7 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -76.6 | 166.5 | 179.8 | 73.5 | 0 | 0 | 0 | 0 | 112.7 | V734 D735 N740 V741 K748 | V734-S738 WeakPolarHBondContact O-CB 3.28Å; V734-S738 PolarHBondContact O-N 2.63Å; D735-S738 WeakPolarHBondContact O-CB 3.5Å; D735-S738 PolarHBondContact O-N 2.83Å; D735-S738 PolarHBondContact O-OG 2.88Å; S738-N740 PolarHBondContact O-N 3.39Å; S738-N740 PolarHBondContact OG-N 3.47Å; S738-N740 PolarHBondContact OG-OD1 3.47Å; S738-V741 WeakPolarHBondContact O-CG2 3.32Å; S738-K748 WeakPolarHBondContact OG-CE 3.23Å; S738-K748 PolarHBondContact OG-NZ 3.23Å |
| 739 | L | 86.7 | Confident | 95.7 | Very high | 108 Ų | 108 | 41.3 Ų | 41.3 | 57% | 0.565 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68 | -23.5 | 175 | -67.5 | 173.5 | 0 | 0 | 0 | 113 | ||
| 740 | N | 86.4 | Confident | 95.8 | Very high | 27 Ų | 27 | 36.4 Ų | 36.4 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | 62.2 | -172.3 | 60.6 | -20.6 | 0 | 0 | 0 | 110.4 | S738 G742 K743 Q744 K748 | S738-N740 PolarHBondContact O-N 3.39Å; S738-N740 PolarHBondContact OG-N 3.47Å; S738-N740 PolarHBondContact OG-OD1 3.47Å; N740-G742 PolarHBondContact O-N 2.71Å; N740-K743 HydrophobicContact CB-CB 4.2Å; N740-K743 WeakPolarHBondContact O-CB 3.37Å; N740-K743 PolarHBondContact O-N 3.4Å; N740-Q744 WeakPolarHBondContact ND2-CG 3.48Å; N740-K748 PolarHBondContact O-NZ 2.94Å; N740-K748 WeakPolarHBondContact OD1-CE 3.42Å; N740-K748 PolarHBondContact OD1-NZ 3.02Å |
| 741 | V | 94.6 | Very high | 95.7 | Very high | 81 Ų | 81 | 35.7 Ų | 35.7 | 49% | 0.491 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 132.2 | -178.2 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | S738 K743 | S738-V741 WeakPolarHBondContact O-CG2 3.32Å; V741-K743 PolarHBondContact O-N 3.39Å |
| 742 | G | 95.4 | Very high | 95.5 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 2.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D735 N740 | D735-G742 PolarHBondContact OD1-N 2.73Å; D735-G742 PolarHBondContact OD2-N 3.06Å; N740-G742 PolarHBondContact O-N 2.71Å |
| 743 | K | 94.8 | Very high | 95.2 | Very high | 123 Ų | 123 | 36 Ų | 36 | 54% | 0.535 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -113.8 | 159.4 | 177.9 | -60.2 | -61.5 | -173.9 | -179.5 | 0 | 112.1 | D719 N740 V741 R745 K748 | D719-K743 VanDerWaalsContact OD2-CA 3.29Å; D719-K743 WeakPolarHBondContact OD2-CA 3.17Å; D719-K743 WeakPolarHBondContact OD2-CD 3.44Å; N740-K743 HydrophobicContact CB-CB 4.2Å; N740-K743 WeakPolarHBondContact O-CB 3.37Å; N740-K743 PolarHBondContact O-N 3.4Å; V741-K743 PolarHBondContact O-N 3.39Å; K743-R745 PolarHBondContact O-N 3.24Å; K743-K748 WeakPolarHBondContact O-CE 3.47Å; K743-K748 PolarHBondContact O-NZ 2.72Å |
| 744 | Q | 95.7 | Very high | 95.2 | Very high | 12 Ų | 12 | 35 Ų | 35 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | trans | 57.2 | 34 | 174.5 | -59.9 | -64.6 | 102.3 | 0 | 0 | 112.9 | T625 G715 D719 N740 Y746 E747 K748 | T625-Q744 HydrophobicContact CG2-CG 4.39Å; G715-Q744 CarbonylContact O-C 3.53Å; G715-Q744 WeakPolarHBondContact O-CA 3.1Å; D719-Q744 PolarHBondContact OD1-N 3.37Å; D719-Q744 PolarHBondContact OD2-N 2.9Å; D719-Q744 VanDerWaalsContact OD2-N 3.1Å; N740-Q744 WeakPolarHBondContact ND2-CG 3.48Å; Q744-Y746 VanDerWaalsContact C-N 3.33Å; Q744-Y746 PolarHBondContact O-N 3.22Å; Q744-E747 HydrophobicContact CB-CB 4.21Å; Q744-E747 PolarHBondContact NE2-OE1 3.34Å; Q744-E747 PolarHBondContact O-N 3.44Å; Q744-K748 WeakPolarHBondContact O-CG 3.46Å; Q744-K748 PolarHBondContact O-N 3.41Å | ||
| 745 | R | 97.9 | Very high | 95.2 | Very high | 44 Ų | 44 | 34.7 Ų | 34.7 | 17% | 0.166 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.3 | -38.2 | -171.1 | -71.6 | 178.6 | -178.6 | -176.9 | -0.4 | 113 | G715 G718 D719 D724 R727 D735 K743 | G715-R745 PolarHBondContact O-N 3.09Å; G718-R745 VanDerWaalsContact O-CD 3.29Å; G718-R745 WeakPolarHBondContact O-CD 3.42Å; G718-R745 PolarHBondContact O-NH1 2.82Å; D719-R745 WeakPolarHBondContact OD1-CG 3.43Å; D719-R745 PolarHBondContact OD1-N 2.81Å; D724-R745 IonicContact OD1-NH1 3Å; D724-R745 PolarHBondContact OD1-NH1 2.64Å; D724-R745 IonicContact OD2-NH1 2.78Å; D724-R745 PolarHBondContact OD2-NH1 2.72Å; R727-R745 VanDerWaalsContact NH1-CZ 3.31Å; D735-R745 IonicContact OD2-NE 2.75Å; K743-R745 PolarHBondContact O-N 3.24Å |
| 746 | Y | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.9 | -41 | 176.5 | -178.7 | -114.5 | 0 | 0 | 0 | 112.4 | V493 M497 W714 G715 F717 L723 Q744 K748 M749 I750 L838 G842 | V493-Y746 HydrophobicContact CG1-CE2 4.47Å; M497-Y746 HydrophobicContact CE-CD1 4.19Å; M497-Y746 HydrophobicContact CE-CE1 3.69Å; W714-Y746 HydrophobicContact CD2-CE1 4.16Å; W714-Y746 HydrophobicContact CG-CD1 4.45Å; W714-Y746 HydrophobicContact CG-CE1 4.28Å; W714-Y746 WeakPolarHBondContact O-CD1 3.26Å; G715-Y746 PolarHBondContact O-N 3.27Å; F717-Y746 HydrophobicContact CB-CD1 4.17Å; F717-Y746 HydrophobicContact CB-CG 4.06Å; F717-Y746 HydrophobicContact CD1-CD1 4.08Å; F717-Y746 AromaticContact CD1-CD2 3.62Å; F717-Y746 HydrophobicContact CD1-CD2 3.62Å; F717-Y746 HydrophobicContact CD1-CE1 4.31Å; F717-Y746 AromaticContact CD1-CE2 3.88Å; F717-Y746 HydrophobicContact CD1-CE2 3.88Å; F717-Y746 AromaticContact CD1-CG 3.71Å; F717-Y746 HydrophobicContact CD1-CG 3.71Å; F717-Y746 HydrophobicContact CE1-CD2 4.22Å; F717-Y746 HydrophobicContact CE1-CE2 4.2Å; F717-Y746 HydrophobicContact CG-CG 4.37Å; F717-Y746 WeakPolarHBondContact O-CB 3.48Å; F717-Y746 PolarHBondContact O-N 3.42Å; F717-Y746 VanDerWaalsContact O-N 3.12Å; L723-Y746 HydrophobicContact CD1-CD2 3.75Å; L723-Y746 HydrophobicContact CD1-CG 4.31Å; Q744-Y746 VanDerWaalsContact C-N 3.33Å; Q744-Y746 PolarHBondContact O-N 3.22Å; Y746-K748 VanDerWaalsContact C-N 3.28Å; Y746-K748 PolarHBondContact O-N 3.01Å; Y746-M749 HydrophobicContact CD2-CE 4.39Å; Y746-M749 PolarHBondContact O-N 3.35Å; Y746-M749 VanDerWaalsContact O-N 3.14Å; Y746-I750 HydrophobicContact CD1-CD1 3.77Å; Y746-I750 HydrophobicContact CD2-CD1 3.92Å; Y746-I750 HydrophobicContact CE1-CD1 3.44Å; Y746-I750 VanDerWaalsContact CE1-CD1 3.44Å; Y746-I750 HydrophobicContact CE2-CD1 3.6Å; Y746-I750 HydrophobicContact CG-CD1 4.01Å; Y746-I750 WeakPolarHBondContact O-CG1 3.48Å; Y746-L838 HydrophobicContact CE2-CB 4.04Å; Y746-L838 VanDerWaalsContact OH-C 3.3Å; Y746-L838 PolarHBondContact OH-O 2.83Å; Y746-G842 WeakPolarHBondContact OH-CA 3.05Å; Y746-G842 PolarHBondContact OH-N 3.48Å |
| 747 | E | 98 | Very high | 95.3 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.5 | -37.8 | 174.3 | 171.1 | 175.4 | 80.2 | 0 | 0 | 112.2 | G686 S687 G715 Q744 M749 I750 S751 Y754 | G686-E747 WeakPolarHBondContact CA-OE2 3.35Å; S687-E747 PolarHBondContact N-OE2 2.88Å; G715-E747 PolarHBondContact O-N 3.07Å; G715-E747 VanDerWaalsContact O-N 3.15Å; Q744-E747 HydrophobicContact CB-CB 4.21Å; Q744-E747 PolarHBondContact NE2-OE1 3.34Å; Q744-E747 PolarHBondContact O-N 3.44Å; E747-M749 PolarHBondContact O-N 3.24Å; E747-I750 PolarHBondContact O-N 2.76Å; E747-I750 VanDerWaalsContact O-N 3.1Å; E747-S751 WeakPolarHBondContact CG-OG 3.49Å; E747-S751 PolarHBondContact O-N 3.14Å; E747-S751 PolarHBondContact O-OG 2.9Å; E747-Y754 HydrophobicContact CG-CE2 4.09Å |
| 748 | K | 98.1 | Very high | 95.6 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 3% | 0.03 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.7 | -24.1 | 176.6 | -77.1 | 167.3 | 172.1 | 163.9 | 0 | 113.8 | D735 S738 N740 K743 Q744 Y746 Y754 I758 | D735-K748 HydrophobicContact CB-CD 4.39Å; D735-K748 IonicContact OD1-NZ 2.73Å; D735-K748 PolarHBondContact OD1-NZ 2.95Å; S738-K748 WeakPolarHBondContact OG-CE 3.23Å; S738-K748 PolarHBondContact OG-NZ 3.23Å; N740-K748 PolarHBondContact O-NZ 2.94Å; N740-K748 WeakPolarHBondContact OD1-CE 3.42Å; N740-K748 PolarHBondContact OD1-NZ 3.02Å; K743-K748 WeakPolarHBondContact O-CE 3.47Å; K743-K748 PolarHBondContact O-NZ 2.72Å; Q744-K748 WeakPolarHBondContact O-CG 3.46Å; Q744-K748 PolarHBondContact O-N 3.41Å; Y746-K748 VanDerWaalsContact C-N 3.28Å; Y746-K748 PolarHBondContact O-N 3.01Å; K748-Y754 HydrophobicContact CB-CD1 4.45Å; K748-Y754 HydrophobicContact CB-CD2 4.27Å; K748-Y754 HydrophobicContact CB-CG 4.14Å; K748-Y754 HydrophobicContact CD-CE1 4.47Å; K748-Y754 HydrophobicContact CG-CD1 3.75Å; K748-Y754 HydrophobicContact CG-CD2 3.91Å; K748-Y754 HydrophobicContact CG-CE1 3.74Å; K748-Y754 HydrophobicContact CG-CE2 3.91Å; K748-Y754 HydrophobicContact CG-CG 3.82Å; K748-Y754 WeakPolarHBondContact O-CB 3.43Å; K748-I758 WeakPolarHBondContact O-CD1 3.49Å |
| 749 | M | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -3.2 | 176.6 | -65.3 | -174.1 | -72.2 | 0 | 0 | 113.8 | L723 R727 Y746 E747 G835 L838 | L723-M749 HydrophobicContact CB-CE 4.49Å; L723-M749 HydrophobicContact CD1-CE 3.86Å; R727-M749 HydrophobicContact CG-CE 4.24Å; R727-M749 HydrophobicContact CG-SD 3.83Å; Y746-M749 HydrophobicContact CD2-CE 4.39Å; Y746-M749 PolarHBondContact O-N 3.35Å; Y746-M749 VanDerWaalsContact O-N 3.14Å; E747-M749 PolarHBondContact O-N 3.24Å; M749-G835 WeakPolarHBondContact O-CA 3.18Å; M749-L838 HydrophobicContact CB-CD1 3.82Å; M749-L838 HydrophobicContact CE-CD1 4.39Å; M749-L838 HydrophobicContact SD-CD1 4.21Å |
| 750 | I | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | -45.7 | -169.1 | -64 | 173.8 | 0 | 0 | 0 | 112.6 | Y746 E747 L755 L838 C839 L869 F876 | Y746-I750 HydrophobicContact CD1-CD1 3.77Å; Y746-I750 HydrophobicContact CD2-CD1 3.92Å; Y746-I750 HydrophobicContact CE1-CD1 3.44Å; Y746-I750 VanDerWaalsContact CE1-CD1 3.44Å; Y746-I750 HydrophobicContact CE2-CD1 3.6Å; Y746-I750 HydrophobicContact CG-CD1 4.01Å; Y746-I750 WeakPolarHBondContact O-CG1 3.48Å; E747-I750 PolarHBondContact O-N 2.76Å; E747-I750 VanDerWaalsContact O-N 3.1Å; I750-L755 WeakPolarHBondContact O-CD1 3.32Å; I750-L838 HydrophobicContact CD1-CB 4.07Å; I750-L838 HydrophobicContact CG1-CB 4.08Å; I750-C839 HydrophobicContact CD1-CB 4.21Å; I750-C839 HydrophobicContact CG2-CB 3.92Å; I750-L869 WeakPolarHBondContact O-CD2 3.31Å; I750-F876 HydrophobicContact CG2-CZ 3.98Å |
| 751 | S | 96.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -86.7 | 155.7 | -162.9 | 63 | 0 | 0 | 0 | 0 | 114 | T685 E747 M753 Y754 L755 | T685-S751 WeakPolarHBondContact O-CB 3.26Å; T685-S751 PolarHBondContact O-OG 3.5Å; E747-S751 WeakPolarHBondContact CG-OG 3.49Å; E747-S751 PolarHBondContact O-N 3.14Å; E747-S751 PolarHBondContact O-OG 2.9Å; S751-M753 PolarHBondContact O-N 2.98Å; S751-M753 VanDerWaalsContact O-N 3.13Å; S751-Y754 PolarHBondContact O-N 3.45Å; S751-Y754 WeakPolarHBondContact OG-CD2 3.5Å; S751-L755 WeakPolarHBondContact O-CG 3.36Å; S751-L755 PolarHBondContact O-N 3.32Å; S751-L755 VanDerWaalsContact O-N 3.12Å |
| 752 | G | 93.8 | Very high | 97.3 | Very high | 6 Ų | 6 | 17.1 Ų | 17.1 | 6% | 0.062 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.7 | -21.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G684 Y754 T789 | G684-G752 WeakPolarHBondContact O-CA 3.36Å; G684-G752 PolarHBondContact O-N 2.72Å; G752-Y754 VanDerWaalsContact C-N 3.27Å; G752-Y754 PolarHBondContact O-N 2.88Å; G752-T789 VanDerWaalsContact CA-OG1 3.3Å; G752-T789 WeakPolarHBondContact CA-OG1 3.4Å; G752-T789 PolarHBondContact O-OG1 3.41Å |
| 753 | M | 92.9 | Very high | 97.4 | Very high | 72 Ų | 72 | 16.2 Ų | 16.2 | 36% | 0.355 | 8% | 0.075 | S | C | . | . | H | α-helix | trans | -67 | -27.7 | 174 | -177 | 170.7 | 177.4 | 0 | 0 | 112.8 | K626 T685 S751 | K626-M753 HydrophobicContact CB-SD 4.4Å; T685-M753 HydrophobicContact CG2-CB 4Å; T685-M753 HydrophobicContact CG2-SD 4.17Å; T685-M753 WeakPolarHBondContact O-CB 3.47Å; T685-M753 PolarHBondContact O-N 3.41Å; S751-M753 PolarHBondContact O-N 2.98Å; S751-M753 VanDerWaalsContact O-N 3.13Å |
| 754 | Y | 97 | Very high | 97.5 | Very high | 8 Ų | 8 | 11.4 Ų | 11.4 | 3% | 0.031 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -117.1 | -26.2 | -169.4 | -53 | -78.1 | 0 | 0 | 0 | 114.1 | V734 E747 K748 S751 G752 G756 E757 I758 | V734-Y754 HydrophobicContact CG1-CD1 4.04Å; E747-Y754 HydrophobicContact CG-CE2 4.09Å; K748-Y754 HydrophobicContact CB-CD1 4.45Å; K748-Y754 HydrophobicContact CB-CD2 4.27Å; K748-Y754 HydrophobicContact CB-CG 4.14Å; K748-Y754 HydrophobicContact CD-CE1 4.47Å; K748-Y754 HydrophobicContact CG-CD1 3.75Å; K748-Y754 HydrophobicContact CG-CD2 3.91Å; K748-Y754 HydrophobicContact CG-CE1 3.74Å; K748-Y754 HydrophobicContact CG-CE2 3.91Å; K748-Y754 HydrophobicContact CG-CG 3.82Å; K748-Y754 WeakPolarHBondContact O-CB 3.43Å; S751-Y754 PolarHBondContact O-N 3.45Å; S751-Y754 WeakPolarHBondContact OG-CD2 3.5Å; G752-Y754 VanDerWaalsContact C-N 3.27Å; G752-Y754 PolarHBondContact O-N 2.88Å; Y754-G756 PolarHBondContact O-N 3.27Å; Y754-E757 PolarHBondContact O-N 2.98Å; Y754-I758 PolarHBondContact O-N 2.76Å |
| 755 | L | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -54.8 | -41.3 | 178 | -66 | -172.2 | 0 | 0 | 0 | 111.9 | I750 S751 E757 I758 V759 L792 V831 L869 | I750-L755 WeakPolarHBondContact O-CD1 3.32Å; S751-L755 WeakPolarHBondContact O-CG 3.36Å; S751-L755 PolarHBondContact O-N 3.32Å; S751-L755 VanDerWaalsContact O-N 3.12Å; L755-E757 VanDerWaalsContact C-N 3.32Å; L755-E757 PolarHBondContact O-N 2.87Å; L755-I758 PolarHBondContact O-N 3.35Å; L755-V759 WeakPolarHBondContact O-CG2 3.14Å; L755-V759 PolarHBondContact O-N 3.47Å; L755-L792 HydrophobicContact CB-CD1 3.96Å; L755-V831 HydrophobicContact CB-CG1 4.27Å; L755-V831 HydrophobicContact CD2-CG1 3.88Å; L755-L869 HydrophobicContact CD1-CD1 4.02Å; L755-L869 HydrophobicContact CD1-CD2 3.75Å |
| 756 | G | 97.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 10.3 Ų | 10.3 | 3% | 0.031 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.5 | -35 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y754 R760 F787 | Y754-G756 PolarHBondContact O-N 3.27Å; G756-R760 WeakPolarHBondContact O-CB 3.32Å; G756-R760 PolarHBondContact O-N 2.87Å; G756-F787 VanDerWaalsContact CA-O 3.28Å; G756-F787 WeakPolarHBondContact CA-O 3.41Å |
| 757 | E | 98.3 | Very high | 97.3 | Very high | 22 Ų | 22 | 10.3 Ų | 10.3 | 10% | 0.103 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -74.3 | -34.7 | 176.9 | -76 | -63.4 | 103.4 | 0 | 0 | 112.1 | V734 Y754 L755 R760 N761 R784 G785 | V734-E757 HydrophobicContact CG1-CB 4.27Å; V734-E757 HydrophobicContact CG2-CB 3.84Å; Y754-E757 PolarHBondContact O-N 2.98Å; L755-E757 VanDerWaalsContact C-N 3.32Å; L755-E757 PolarHBondContact O-N 2.87Å; E757-R760 VanDerWaalsContact CD-NE 3.33Å; E757-R760 PolarHBondContact O-N 3.41Å; E757-R760 WeakPolarHBondContact OE1-CD 3.35Å; E757-R760 IonicContact OE1-CZ 3.88Å; E757-R760 IonicContact OE1-NE 3.25Å; E757-R760 PolarHBondContact OE1-NE 2.9Å; E757-R760 IonicContact OE1-NH2 3.79Å; E757-R760 IonicContact OE2-CZ 3.2Å; E757-R760 IonicContact OE2-NE 2.73Å; E757-R760 PolarHBondContact OE2-NE 3.03Å; E757-R760 VanDerWaalsContact OE2-NE 3.09Å; E757-R760 IonicContact OE2-NH2 3.62Å; E757-R760 PolarHBondContact OE2-NH2 3.47Å; E757-N761 PolarHBondContact O-N 2.93Å; E757-N761 PolarHBondContact O-ND2 3.02Å; E757-R784 WeakPolarHBondContact OE1-CA 3.49Å; E757-G785 PolarHBondContact OE1-N 2.83Å |
| 758 | I | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.4 | -49.6 | 171.8 | -63.3 | 168.5 | 0 | 0 | 0 | 109 | F483 D731 V734 K748 Y754 L755 R760 N761 I762 V831 | F483-I758 HydrophobicContact CE1-CG2 3.7Å; F483-I758 HydrophobicContact CZ-CG2 3.95Å; D731-I758 VanDerWaalsContact OD1-CD1 3.31Å; D731-I758 WeakPolarHBondContact OD1-CD1 3.23Å; V734-I758 HydrophobicContact CG2-CG1 3.85Å; K748-I758 WeakPolarHBondContact O-CD1 3.49Å; Y754-I758 PolarHBondContact O-N 2.76Å; L755-I758 PolarHBondContact O-N 3.35Å; I758-R760 PolarHBondContact O-N 3.4Å; I758-N761 PolarHBondContact O-N 3.21Å; I758-I762 HydrophobicContact CG2-CD1 4.01Å; I758-I762 WeakPolarHBondContact O-CG1 3.3Å; I758-I762 PolarHBondContact O-N 3.4Å; I758-I762 VanDerWaalsContact O-N 3.08Å; I758-V831 HydrophobicContact CB-CG1 4.09Å; I758-V831 HydrophobicContact CD1-CG1 4.47Å; I758-V831 HydrophobicContact CG2-CG1 3.97Å; I758-V831 HydrophobicContact CG2-CG2 3.76Å |
| 759 | V | 98.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -54.9 | -52.9 | 174.8 | 169.8 | 0 | 0 | 0 | 0 | 110.4 | L755 N761 I762 L763 F787 L792 V827 V831 | L755-V759 WeakPolarHBondContact O-CG2 3.14Å; L755-V759 PolarHBondContact O-N 3.47Å; V759-N761 VanDerWaalsContact C-N 3.3Å; V759-N761 PolarHBondContact O-N 2.97Å; V759-I762 WeakPolarHBondContact O-CB 3.3Å; V759-I762 PolarHBondContact O-N 3.21Å; V759-I762 VanDerWaalsContact O-N 3.08Å; V759-L763 HydrophobicContact CG1-CD1 3.95Å; V759-L763 HydrophobicContact CG1-CG 4.12Å; V759-L763 WeakPolarHBondContact O-CG 3.33Å; V759-L763 PolarHBondContact O-N 2.95Å; V759-F787 HydrophobicContact CG1-CD2 4.44Å; V759-L792 HydrophobicContact CB-CD2 4.48Å; V759-L792 HydrophobicContact CG2-CD2 4.03Å; V759-V827 HydrophobicContact CB-CG1 4.45Å; V759-V827 HydrophobicContact CG1-CG1 4.1Å; V759-V827 HydrophobicContact CG2-CG1 4.34Å; V759-V831 HydrophobicContact CG2-CB 4.03Å; V759-V831 HydrophobicContact CG2-CG1 4.17Å; V759-V831 HydrophobicContact CG2-CG2 4.01Å |
| 760 | R | 98.4 | Very high | 96.1 | Very high | 9 Ų | 9 | 24 Ų | 24 | 3% | 0.034 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55.1 | -43.2 | -179.1 | -165.8 | -175.9 | 63.4 | 70.4 | 8.7 | 112.5 | G756 E757 I758 L763 I764 L781 T783 I786 F787 | G756-R760 WeakPolarHBondContact O-CB 3.32Å; G756-R760 PolarHBondContact O-N 2.87Å; E757-R760 VanDerWaalsContact CD-NE 3.33Å; E757-R760 PolarHBondContact O-N 3.41Å; E757-R760 WeakPolarHBondContact OE1-CD 3.35Å; E757-R760 IonicContact OE1-CZ 3.88Å; E757-R760 IonicContact OE1-NE 3.25Å; E757-R760 PolarHBondContact OE1-NE 2.9Å; E757-R760 IonicContact OE1-NH2 3.79Å; E757-R760 IonicContact OE2-CZ 3.2Å; E757-R760 IonicContact OE2-NE 2.73Å; E757-R760 PolarHBondContact OE2-NE 3.03Å; E757-R760 VanDerWaalsContact OE2-NE 3.09Å; E757-R760 IonicContact OE2-NH2 3.62Å; E757-R760 PolarHBondContact OE2-NH2 3.47Å; I758-R760 PolarHBondContact O-N 3.4Å; R760-L763 PolarHBondContact O-N 2.93Å; R760-I764 WeakPolarHBondContact O-CG1 3.35Å; R760-I764 PolarHBondContact O-N 3.4Å; R760-L781 WeakPolarHBondContact CD-O 3.39Å; R760-L781 HydrophobicContact CG-CD1 4.22Å; R760-L781 WeakPolarHBondContact CG-O 3.33Å; R760-L781 PolarHBondContact NH1-O 3.43Å; R760-T783 WeakPolarHBondContact CD-O 3.45Å; R760-I786 HydrophobicContact CG-CG2 4.3Å; R760-F787 HydrophobicContact CB-CD2 4.01Å; R760-F787 HydrophobicContact CB-CE2 4.36Å; R760-F787 HydrophobicContact CG-CD2 4.33Å; R760-F787 HydrophobicContact CG-CE2 4.38Å |
| 761 | N | 98.5 | Very high | 95.6 | Very high | 24 Ų | 24 | 25.6 Ų | 25.6 | 13% | 0.128 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68 | -37.5 | 178.7 | -77.7 | -70.6 | 0 | 0 | 0 | 112.6 | Y730 E757 I758 V759 I764 D765 | Y730-N761 HydrophobicContact CD1-CB 4.3Å; E757-N761 PolarHBondContact O-N 2.93Å; E757-N761 PolarHBondContact O-ND2 3.02Å; I758-N761 PolarHBondContact O-N 3.21Å; V759-N761 VanDerWaalsContact C-N 3.3Å; V759-N761 PolarHBondContact O-N 2.97Å; N761-I764 PolarHBondContact O-N 3.31Å; N761-D765 PolarHBondContact O-N 3.28Å; N761-D765 VanDerWaalsContact O-N 3.09Å |
| 762 | I | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.8 | -46.1 | 172.5 | -62.7 | 162.8 | 0 | 0 | 0 | 110.3 | I479 F483 Y730 I758 V759 I764 D765 M766 V827 V831 | I479-I762 HydrophobicContact CG2-CG2 4.13Å; F483-I762 HydrophobicContact CE1-CD1 4.29Å; F483-I762 HydrophobicContact CE2-CD1 3.65Å; F483-I762 HydrophobicContact CE2-CG1 4.28Å; F483-I762 HydrophobicContact CZ-CD1 3.51Å; F483-I762 HydrophobicContact CZ-CG1 4.17Å; Y730-I762 HydrophobicContact CD1-CB 4.44Å; Y730-I762 HydrophobicContact CD1-CG1 3.7Å; Y730-I762 HydrophobicContact CD2-CG1 3.86Å; Y730-I762 HydrophobicContact CE1-CB 4.38Å; Y730-I762 HydrophobicContact CE1-CG1 3.94Å; Y730-I762 HydrophobicContact CE2-CG1 4.06Å; Y730-I762 HydrophobicContact CG-CG1 3.67Å; I758-I762 HydrophobicContact CG2-CD1 4.01Å; I758-I762 WeakPolarHBondContact O-CG1 3.3Å; I758-I762 PolarHBondContact O-N 3.4Å; I758-I762 VanDerWaalsContact O-N 3.08Å; V759-I762 WeakPolarHBondContact O-CB 3.3Å; V759-I762 PolarHBondContact O-N 3.21Å; V759-I762 VanDerWaalsContact O-N 3.08Å; I762-I764 VanDerWaalsContact C-N 3.3Å; I762-I764 PolarHBondContact O-N 2.97Å; I762-D765 PolarHBondContact O-N 3.2Å; I762-D765 VanDerWaalsContact O-N 3.15Å; I762-M766 HydrophobicContact CG2-CE 3.73Å; I762-M766 HydrophobicContact CG2-CG 4.27Å; I762-M766 HydrophobicContact CG2-SD 4Å; I762-M766 WeakPolarHBondContact O-CG 3.46Å; I762-M766 PolarHBondContact O-N 3.48Å; I762-V827 HydrophobicContact CB-CG1 3.91Å; I762-V827 HydrophobicContact CD1-CG1 3.84Å; I762-V827 HydrophobicContact CG2-CG1 3.73Å; I762-V827 HydrophobicContact CG2-CG2 4.02Å; I762-V831 HydrophobicContact CD1-CG2 3.65Å |
| 763 | L | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.9 | -36.7 | 179.1 | -61.6 | -174.9 | 0 | 0 | 0 | 111.8 | V759 R760 T767 L772 L781 F787 V824 V827 | V759-L763 HydrophobicContact CG1-CD1 3.95Å; V759-L763 HydrophobicContact CG1-CG 4.12Å; V759-L763 WeakPolarHBondContact O-CG 3.33Å; V759-L763 PolarHBondContact O-N 2.95Å; R760-L763 PolarHBondContact O-N 2.93Å; L763-T767 VanDerWaalsContact O-CB 3.28Å; L763-T767 WeakPolarHBondContact O-CB 3.45Å; L763-T767 PolarHBondContact O-N 3.46Å; L763-T767 PolarHBondContact O-OG1 2.87Å; L763-L772 HydrophobicContact CB-CD1 4.45Å; L763-L772 HydrophobicContact CD2-CD1 3.54Å; L763-L781 HydrophobicContact CB-CD1 4.02Å; L763-L781 HydrophobicContact CD1-CD1 4.46Å; L763-F787 HydrophobicContact CD1-CE1 4.38Å; L763-F787 HydrophobicContact CD1-CE2 3.68Å; L763-F787 HydrophobicContact CD1-CZ 3.47Å; L763-F787 VanDerWaalsContact CD1-CZ 3.47Å; L763-V824 HydrophobicContact CD1-CG1 4.21Å; L763-V824 HydrophobicContact CD1-CG2 4.1Å; L763-V824 HydrophobicContact CD2-CB 4.45Å; L763-V824 HydrophobicContact CD2-CG2 3.82Å; L763-V827 HydrophobicContact CD2-CB 4.25Å; L763-V827 HydrophobicContact CD2-CG1 4.19Å; L763-V827 HydrophobicContact CD2-CG2 4.07Å |
| 764 | I | 97.8 | Very high | 94.9 | Very high | 22 Ų | 22 | 29.2 Ų | 29.2 | 11% | 0.113 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.6 | -46.9 | 172.3 | -74.7 | 172.4 | 0 | 0 | 0 | 111.2 | R760 N761 I762 T767 K768 I777 L781 | R760-I764 WeakPolarHBondContact O-CG1 3.35Å; R760-I764 PolarHBondContact O-N 3.4Å; N761-I764 PolarHBondContact O-N 3.31Å; I762-I764 VanDerWaalsContact C-N 3.3Å; I762-I764 PolarHBondContact O-N 2.97Å; I764-T767 PolarHBondContact O-N 3.27Å; I764-K768 HydrophobicContact CG2-CD 4.25Å; I764-K768 WeakPolarHBondContact O-CG 3.18Å; I764-K768 PolarHBondContact O-N 3.25Å; I764-I777 HydrophobicContact CG2-CD1 4.43Å; I764-L781 HydrophobicContact CG1-CD1 4.45Å; I764-L781 HydrophobicContact CG1-CD2 4.01Å; I764-L781 HydrophobicContact CG1-CG 3.78Å |
| 765 | D | 97.3 | Very high | 94.4 | Very high | 33 Ų | 33 | 30.5 Ų | 30.5 | 18% | 0.176 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 178.5 | -177.5 | 30.5 | 0 | 0 | 0 | 111.3 | Y730 N761 I762 T767 K768 R769 | Y730-D765 HydrophobicContact CE1-CB 3.93Å; Y730-D765 PolarHBondContact OH-OD2 3.14Å; N761-D765 PolarHBondContact O-N 3.28Å; N761-D765 VanDerWaalsContact O-N 3.09Å; I762-D765 PolarHBondContact O-N 3.2Å; I762-D765 VanDerWaalsContact O-N 3.15Å; D765-T767 VanDerWaalsContact C-N 3.3Å; D765-T767 PolarHBondContact O-N 3.45Å; D765-K768 WeakPolarHBondContact O-CB 3.2Å; D765-K768 PolarHBondContact O-N 3.43Å; D765-K768 VanDerWaalsContact O-N 3.15Å; D765-R769 WeakPolarHBondContact O-CG 3.19Å; D765-R769 PolarHBondContact O-N 3.39Å; D765-R769 IonicContact OD1-CZ 3.79Å; D765-R769 IonicContact OD1-NE 3.38Å; D765-R769 PolarHBondContact OD1-NE 2.91Å; D765-R769 IonicContact OD1-NH2 3.25Å; D765-R769 PolarHBondContact OD1-NH2 3.08Å; D765-R769 IonicContact OD2-CZ 2.63Å; D765-R769 IonicContact OD2-NE 3.94Å; D765-R769 PolarHBondContact OD2-NE 3.23Å; D765-R769 IonicContact OD2-NH2 3.26Å; D765-R769 PolarHBondContact OD2-NH2 3.46Å |
| 766 | M | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.8 | -37 | 176.3 | -71.6 | -174.4 | 174.9 | 0 | 0 | 112.5 | I476 I479 L480 I762 R769 G770 F771 L772 I823 V827 | I476-M766 HydrophobicContact CB-CE 4.4Å; I476-M766 HydrophobicContact CG1-CE 4.33Å; I476-M766 HydrophobicContact CG2-CE 3.91Å; I479-M766 HydrophobicContact CB-CE 4.05Å; I479-M766 HydrophobicContact CD1-CE 4.12Å; I479-M766 HydrophobicContact CD1-CG 4.16Å; I479-M766 HydrophobicContact CG2-CE 3.78Å; L480-M766 HydrophobicContact CD2-CE 4.16Å; L480-M766 HydrophobicContact CG-CE 4.32Å; I762-M766 HydrophobicContact CG2-CE 3.73Å; I762-M766 HydrophobicContact CG2-CG 4.27Å; I762-M766 HydrophobicContact CG2-SD 4Å; I762-M766 WeakPolarHBondContact O-CG 3.46Å; I762-M766 PolarHBondContact O-N 3.48Å; M766-R769 PolarHBondContact O-N 3.01Å; M766-G770 PolarHBondContact O-N 2.55Å; M766-F771 HydrophobicContact CB-CB 4.31Å; M766-F771 HydrophobicContact CB-CD2 4.34Å; M766-F771 HydrophobicContact CG-CD2 4.3Å; M766-F771 WeakPolarHBondContact O-CB 3.47Å; M766-F771 PolarHBondContact O-N 2.71Å; M766-L772 HydrophobicContact CB-CD1 3.81Å; M766-L772 HydrophobicContact CB-CG 4.22Å; M766-L772 HydrophobicContact SD-CD1 4.22Å; M766-I823 HydrophobicContact SD-CG2 3.92Å; M766-V827 HydrophobicContact CE-CG2 3.93Å; M766-V827 HydrophobicContact SD-CG2 3.84Å |
| 767 | T | 94.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.6 | -42.9 | 174.1 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | L763 I764 D765 R769 G770 F773 G775 Q776 I777 | L763-T767 VanDerWaalsContact O-CB 3.28Å; L763-T767 WeakPolarHBondContact O-CB 3.45Å; L763-T767 PolarHBondContact O-N 3.46Å; L763-T767 PolarHBondContact O-OG1 2.87Å; I764-T767 PolarHBondContact O-N 3.27Å; D765-T767 VanDerWaalsContact C-N 3.3Å; D765-T767 PolarHBondContact O-N 3.45Å; T767-R769 PolarHBondContact O-N 2.63Å; T767-G770 PolarHBondContact O-N 3.14Å; T767-F773 HydrophobicContact CG2-CB 4.4Å; T767-F773 WeakPolarHBondContact OG1-CD2 3.46Å; T767-G775 VanDerWaalsContact O-CA 3.31Å; T767-G775 WeakPolarHBondContact O-CA 3.34Å; T767-Q776 VanDerWaalsContact CG2-C 3.47Å; T767-I777 HydrophobicContact CG2-CG1 3.78Å |
| 768 | K | 92.9 | Very high | 93.7 | Very high | 146 Ų | 146 | 39.1 Ų | 39.1 | 64% | 0.635 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -59.5 | -35.9 | 175.1 | -75.7 | 174.1 | -179.9 | 177 | 0 | 112.5 | I764 D765 G770 I777 | I764-K768 HydrophobicContact CG2-CD 4.25Å; I764-K768 WeakPolarHBondContact O-CG 3.18Å; I764-K768 PolarHBondContact O-N 3.25Å; D765-K768 WeakPolarHBondContact O-CB 3.2Å; D765-K768 PolarHBondContact O-N 3.43Å; D765-K768 VanDerWaalsContact O-N 3.15Å; K768-G770 PolarHBondContact O-N 3.43Å; K768-I777 HydrophobicContact CD-CD1 4.31Å; K768-I777 HydrophobicContact CG-CD1 3.57Å; K768-I777 HydrophobicContact CG-CG1 4.47Å |
| 769 | R | 89.8 | Confident | 93.6 | Very high | 114 Ų | 114 | 45.4 Ų | 45.4 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -3.7 | 176 | -64.5 | 171.6 | -171.3 | -121.7 | 6.2 | 113.5 | E475 D765 M766 T767 F771 | E475-R769 IonicContact OE2-NH1 2.71Å; D765-R769 WeakPolarHBondContact O-CG 3.19Å; D765-R769 PolarHBondContact O-N 3.39Å; D765-R769 IonicContact OD1-CZ 3.79Å; D765-R769 IonicContact OD1-NE 3.38Å; D765-R769 PolarHBondContact OD1-NE 2.91Å; D765-R769 IonicContact OD1-NH2 3.25Å; D765-R769 PolarHBondContact OD1-NH2 3.08Å; D765-R769 IonicContact OD2-CZ 2.63Å; D765-R769 IonicContact OD2-NE 3.94Å; D765-R769 PolarHBondContact OD2-NE 3.23Å; D765-R769 IonicContact OD2-NH2 3.26Å; D765-R769 PolarHBondContact OD2-NH2 3.46Å; M766-R769 PolarHBondContact O-N 3.01Å; T767-R769 PolarHBondContact O-N 2.63Å; R769-F771 VanDerWaalsContact C-N 3.35Å; R769-F771 HydrophobicContact CB-CD1 4.15Å; R769-F771 HydrophobicContact CB-CD2 3.84Å; R769-F771 HydrophobicContact CB-CE1 3.98Å; R769-F771 HydrophobicContact CB-CE2 3.66Å; R769-F771 HydrophobicContact CB-CG 4.08Å; R769-F771 HydrophobicContact CB-CZ 3.73Å; R769-F771 HydrophobicContact CG-CE2 4.26Å; R769-F771 HydrophobicContact CG-CZ 4.47Å; R769-F771 WeakPolarHBondContact O-CD1 3.39Å |
| 770 | G | 86.9 | Confident | 93.4 | Very high | 42 Ų | 42 | 47.1 Ų | 47.1 | 43% | 0.433 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 11.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | M766 T767 K768 | M766-G770 PolarHBondContact O-N 2.55Å; T767-G770 PolarHBondContact O-N 3.14Å; K768-G770 PolarHBondContact O-N 3.43Å |
| 771 | F | 88 | Confident | 93.3 | Very high | 34 Ų | 34 | 46.7 Ų | 46.7 | 15% | 0.149 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -81.8 | -24.3 | -176.7 | -55.5 | -22.9 | 0 | 0 | 0 | 113.5 | Q472 E475 I476 I479 M766 R769 | Q472-F771 HydrophobicContact CB-CD1 4.26Å; Q472-F771 HydrophobicContact CB-CE1 4.31Å; Q472-F771 HydrophobicContact CG-CB 4.22Å; Q472-F771 HydrophobicContact CG-CD1 3.57Å; Q472-F771 HydrophobicContact CG-CE1 4.06Å; Q472-F771 HydrophobicContact CG-CG 3.93Å; Q472-F771 VanDerWaalsContact NE2-CA 3.3Å; Q472-F771 PolarHBondContact NE2-O 3.26Å; E475-F771 HydrophobicContact CB-CE2 4Å; E475-F771 HydrophobicContact CB-CZ 3.8Å; I476-F771 HydrophobicContact CD1-CB 4.31Å; I476-F771 HydrophobicContact CG1-CD2 3.87Å; I476-F771 HydrophobicContact CG1-CE2 4.4Å; I476-F771 HydrophobicContact CG1-CG 4.37Å; I479-F771 HydrophobicContact CD1-CE2 4.33Å; M766-F771 HydrophobicContact CB-CB 4.31Å; M766-F771 HydrophobicContact CB-CD2 4.34Å; M766-F771 HydrophobicContact CG-CD2 4.3Å; M766-F771 WeakPolarHBondContact O-CB 3.47Å; M766-F771 PolarHBondContact O-N 2.71Å; R769-F771 VanDerWaalsContact C-N 3.35Å; R769-F771 HydrophobicContact CB-CD1 4.15Å; R769-F771 HydrophobicContact CB-CD2 3.84Å; R769-F771 HydrophobicContact CB-CE1 3.98Å; R769-F771 HydrophobicContact CB-CE2 3.66Å; R769-F771 HydrophobicContact CB-CG 4.08Å; R769-F771 HydrophobicContact CB-CZ 3.73Å; R769-F771 HydrophobicContact CG-CE2 4.26Å; R769-F771 HydrophobicContact CG-CZ 4.47Å; R769-F771 WeakPolarHBondContact O-CD1 3.39Å |
| 772 | L | 90.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -129.9 | 154.4 | -176.5 | -77.8 | 176.2 | 0 | 0 | 0 | 111.6 | L763 M766 R774 G775 D820 I823 V824 | L763-L772 HydrophobicContact CB-CD1 4.45Å; L763-L772 HydrophobicContact CD2-CD1 3.54Å; M766-L772 HydrophobicContact CB-CD1 3.81Å; M766-L772 HydrophobicContact CB-CG 4.22Å; M766-L772 HydrophobicContact SD-CD1 4.22Å; L772-R774 PolarHBondContact O-N 2.77Å; L772-G775 PolarHBondContact O-N 2.98Å; L772-D820 VanDerWaalsContact CA-OD1 3.31Å; L772-D820 WeakPolarHBondContact CA-OD1 3.47Å; L772-D820 HydrophobicContact CD2-CB 3.83Å; L772-D820 VanDerWaalsContact CD2-OD1 3.25Å; L772-D820 WeakPolarHBondContact CD2-OD1 3.3Å; L772-I823 HydrophobicContact CD1-CG2 4.09Å; L772-I823 HydrophobicContact CD2-CB 3.84Å; L772-I823 HydrophobicContact CD2-CD1 3.99Å; L772-I823 HydrophobicContact CD2-CG2 3.83Å; L772-I823 HydrophobicContact CG-CG2 4.1Å; L772-V824 HydrophobicContact CD1-CG2 4.47Å; L772-V824 HydrophobicContact CD2-CG2 4.5Å |
| 773 | F | 91.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 53.9 Ų | 53.9 | 5% | 0.053 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | 50.7 | 37.3 | 167.2 | -48.1 | -48.9 | 0 | 0 | 0 | 113.1 | T767 G775 Q776 L781 L814 D820 V824 | T767-F773 HydrophobicContact CG2-CB 4.4Å; T767-F773 WeakPolarHBondContact OG1-CD2 3.46Å; F773-G775 PolarHBondContact O-N 3.33Å; F773-Q776 PolarHBondContact O-N 3.19Å; F773-L781 HydrophobicContact CD2-CD2 4.08Å; F773-L781 HydrophobicContact CE2-CD2 4.18Å; F773-L814 HydrophobicContact CE1-CB 4.42Å; F773-L814 HydrophobicContact CZ-CD1 4.25Å; F773-D820 HydrophobicContact CD1-CB 4.11Å; F773-D820 HydrophobicContact CE1-CB 3.87Å; F773-D820 PolarHBondContact N-OD1 2.94Å; F773-V824 HydrophobicContact CE1-CG2 4.48Å; F773-V824 HydrophobicContact CZ-CG2 3.86Å |
| 774 | R | 86.1 | Confident | 92.9 | Very high | 141 Ų | 141 | 60.5 Ų | 60.5 | 53% | 0.532 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | 54.7 | 25.7 | -178.4 | -52.7 | 175.1 | -177 | 141.1 | 8.2 | 113.8 | R78 L772 Q776 D815 | R78-R774 PolarHBondContact NH1-O 3.11Å; R78-R774 PolarHBondContact NH2-O 2.74Å; L772-R774 PolarHBondContact O-N 2.77Å; R774-Q776 VanDerWaalsContact C-N 3.31Å; R774-D815 IonicContact CZ-OD2 2.72Å; R774-D815 IonicContact NH1-OD2 3.18Å; R774-D815 PolarHBondContact NH1-OD2 3.46Å; R774-D815 IonicContact NH2-OD2 2.87Å |
| 775 | G | 87.9 | Confident | 92.7 | Very high | 35 Ų | 35 | 61.4 Ų | 61.4 | 36% | 0.361 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | 75.4 | 12 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T767 L772 F773 | T767-G775 VanDerWaalsContact O-CA 3.31Å; T767-G775 WeakPolarHBondContact O-CA 3.34Å; L772-G775 PolarHBondContact O-N 2.98Å; F773-G775 PolarHBondContact O-N 3.33Å |
| 776 | Q | 91.4 | Very high | 92.6 | Very high | 118 Ų | 118 | 61.4 Ų | 61.4 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | trans | -103.1 | 112.4 | -175.5 | -64.6 | -172.1 | -9.9 | 0 | 0 | 111.7 | T767 F773 R774 S778 | T767-Q776 VanDerWaalsContact CG2-C 3.47Å; F773-Q776 PolarHBondContact O-N 3.19Å; R774-Q776 VanDerWaalsContact C-N 3.31Å; Q776-S778 PolarHBondContact O-N 3.49Å | ||
| 777 | I | 94 | Very high | 92.6 | Very high | 52 Ų | 52 | 61.5 Ų | 61.5 | 27% | 0.267 | 31% | 0.312 | S | S | . | . | trans | -79.1 | 102.9 | 174.1 | -51.2 | 172.5 | 0 | 0 | 0 | 108.8 | I764 T767 K768 L781 K782 | I764-I777 HydrophobicContact CG2-CD1 4.43Å; T767-I777 HydrophobicContact CG2-CG1 3.78Å; K768-I777 HydrophobicContact CD-CD1 4.31Å; K768-I777 HydrophobicContact CG-CD1 3.57Å; K768-I777 HydrophobicContact CG-CG1 4.47Å; I777-L781 HydrophobicContact CG2-CD2 4.36Å; I777-K782 HydrophobicContact CG2-CD 4.43Å; I777-K782 HydrophobicContact CG2-CG 3.82Å | ||
| 778 | S | 94.1 | Very high | 92.5 | Very high | 38 Ų | 38 | 67 Ų | 67 | 27% | 0.266 | 34% | 0.337 | S | S | . | . | trans | -70.6 | 158 | 176.3 | 67 | 0 | 0 | 0 | 0 | 112.5 | Q776 T780 L781 K782 | Q776-S778 PolarHBondContact O-N 3.49Å; S778-T780 PolarHBondContact O-N 3.19Å; S778-L781 PolarHBondContact O-N 2.87Å; S778-L781 VanDerWaalsContact O-N 3.13Å; S778-L781 PolarHBondContact OG-N 3.2Å; S778-L781 VanDerWaalsContact OG-N 3.13Å; S778-K782 PolarHBondContact O-N 3.08Å | ||
| 779 | E | 95.6 | Very high | 92.4 | Very high | 132 Ų | 132 | 60.9 Ų | 60.9 | 62% | 0.617 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.8 | -35 | 172.5 | -67.4 | -52.7 | 125.2 | 0 | 0 | 111.7 | L781 K782 T783 | E779-L781 PolarHBondContact O-N 3.3Å; E779-K782 WeakPolarHBondContact O-CB 3.43Å; E779-K782 PolarHBondContact O-N 2.98Å; E779-K782 IonicContact OE1-NZ 3.78Å; E779-K782 PolarHBondContact OE1-NZ 3.13Å; E779-T783 PolarHBondContact O-N 3.5Å; E779-T783 VanDerWaalsContact O-N 3.12Å; E779-T783 PolarHBondContact O-OG1 2.95Å |
| 780 | T | 95.5 | Very high | 92.6 | Very high | 36 Ų | 36 | 61 Ų | 61 | 22% | 0.221 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -54.9 | -49.5 | 170.6 | -51.9 | 0 | 0 | 0 | 0 | 111.8 | S778 K782 T783 I786 L812 G813 L814 | S778-T780 PolarHBondContact O-N 3.19Å; T780-K782 PolarHBondContact O-N 3.41Å; T780-T783 VanDerWaalsContact O-CB 3.22Å; T780-T783 WeakPolarHBondContact O-CB 3.27Å; T780-T783 PolarHBondContact O-N 3.43Å; T780-I786 HydrophobicContact CG2-CD1 3.83Å; T780-I786 HydrophobicContact CG2-CG1 4.04Å; T780-L812 WeakPolarHBondContact CG2-O 3.3Å; T780-G813 PolarHBondContact OG1-O 3.32Å; T780-L814 HydrophobicContact CG2-CD2 3.87Å; T780-L814 HydrophobicContact CG2-CG 4.37Å |
| 781 | L | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.9 | -25.4 | -178.9 | -173.1 | 61 | 0 | 0 | 0 | 112.5 | R760 L763 I764 F773 I777 S778 E779 T783 F787 L814 | R760-L781 WeakPolarHBondContact CD-O 3.39Å; R760-L781 HydrophobicContact CG-CD1 4.22Å; R760-L781 WeakPolarHBondContact CG-O 3.33Å; R760-L781 PolarHBondContact NH1-O 3.43Å; L763-L781 HydrophobicContact CB-CD1 4.02Å; L763-L781 HydrophobicContact CD1-CD1 4.46Å; I764-L781 HydrophobicContact CG1-CD1 4.45Å; I764-L781 HydrophobicContact CG1-CD2 4.01Å; I764-L781 HydrophobicContact CG1-CG 3.78Å; F773-L781 HydrophobicContact CD2-CD2 4.08Å; F773-L781 HydrophobicContact CE2-CD2 4.18Å; I777-L781 HydrophobicContact CG2-CD2 4.36Å; S778-L781 PolarHBondContact O-N 2.87Å; S778-L781 VanDerWaalsContact O-N 3.13Å; S778-L781 PolarHBondContact OG-N 3.2Å; S778-L781 VanDerWaalsContact OG-N 3.13Å; E779-L781 PolarHBondContact O-N 3.3Å; L781-T783 VanDerWaalsContact C-N 3.31Å; L781-F787 HydrophobicContact CD1-CE2 4.36Å; L781-L814 HydrophobicContact CB-CD2 4Å; L781-L814 HydrophobicContact CD1-CD2 4.4Å |
| 782 | K | 95.9 | Very high | 93.1 | Very high | 102 Ų | 102 | 59.6 Ų | 59.6 | 44% | 0.443 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -76.6 | -19.1 | 172.7 | -62.8 | 174.3 | -168.2 | 168.4 | 0 | 112.9 | I777 S778 E779 T780 R784 | I777-K782 HydrophobicContact CG2-CD 4.43Å; I777-K782 HydrophobicContact CG2-CG 3.82Å; S778-K782 PolarHBondContact O-N 3.08Å; E779-K782 WeakPolarHBondContact O-CB 3.43Å; E779-K782 PolarHBondContact O-N 2.98Å; E779-K782 IonicContact OE1-NZ 3.78Å; E779-K782 PolarHBondContact OE1-NZ 3.13Å; T780-K782 PolarHBondContact O-N 3.41Å; K782-R784 PolarHBondContact O-N 3.04Å |
| 783 | T | 96.1 | Very high | 93.3 | Very high | 74 Ų | 74 | 60 Ų | 60 | 45% | 0.454 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -72.6 | 119.4 | -177.9 | -58.1 | 0 | 0 | 0 | 0 | 110.2 | R760 E779 T780 L781 I786 | R760-T783 WeakPolarHBondContact CD-O 3.45Å; E779-T783 PolarHBondContact O-N 3.5Å; E779-T783 VanDerWaalsContact O-N 3.12Å; E779-T783 PolarHBondContact O-OG1 2.95Å; T780-T783 VanDerWaalsContact O-CB 3.22Å; T780-T783 WeakPolarHBondContact O-CB 3.27Å; T780-T783 PolarHBondContact O-N 3.43Å; L781-T783 VanDerWaalsContact C-N 3.31Å; T783-I786 WeakPolarHBondContact O-CB 3.48Å |
| 784 | R | 94.6 | Very high | 93.4 | Very high | 138 Ų | 138 | 62.7 Ų | 62.7 | 52% | 0.521 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 145.6 | 178.5 | -61.4 | -172.8 | -173.6 | -179.5 | 1.6 | 111.1 | L737 E757 K782 I786 | L737-R784 PolarHBondContact O-NH1 3.34Å; E757-R784 WeakPolarHBondContact OE1-CA 3.49Å; K782-R784 PolarHBondContact O-N 3.04Å; R784-I786 VanDerWaalsContact C-N 3.25Å; R784-I786 PolarHBondContact O-N 3.34Å |
| 785 | G | 92.2 | Very high | 93.8 | Very high | 41 Ų | 41 | 56 Ų | 56 | 42% | 0.423 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 4.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E757 F787 | E757-G785 PolarHBondContact OE1-N 2.83Å; G785-F787 PolarHBondContact O-N 3.18Å |
| 786 | I | 95.7 | Very high | 94.1 | Very high | 34 Ų | 34 | 54.8 Ų | 54.8 | 17% | 0.174 | 27% | 0.273 | C | S | . | . | trans | -60.4 | -29.1 | -179.3 | -163.4 | 78 | 0 | 0 | 0 | 112.8 | R760 T780 T783 R784 E788 L812 | R760-I786 HydrophobicContact CG-CG2 4.3Å; T780-I786 HydrophobicContact CG2-CD1 3.83Å; T780-I786 HydrophobicContact CG2-CG1 4.04Å; T783-I786 WeakPolarHBondContact O-CB 3.48Å; R784-I786 VanDerWaalsContact C-N 3.25Å; R784-I786 PolarHBondContact O-N 3.34Å; I786-E788 PolarHBondContact O-N 2.86Å; I786-L812 HydrophobicContact CG1-CD2 4.45Å | ||
| 787 | F | 95.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.009 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -98.9 | 70.6 | 177.4 | -69.6 | -75.9 | 0 | 0 | 0 | 111.5 | G756 V759 R760 L763 L781 G785 L792 I795 L809 L812 L814 | G756-F787 VanDerWaalsContact CA-O 3.28Å; G756-F787 WeakPolarHBondContact CA-O 3.41Å; V759-F787 HydrophobicContact CG1-CD2 4.44Å; R760-F787 HydrophobicContact CB-CD2 4.01Å; R760-F787 HydrophobicContact CB-CE2 4.36Å; R760-F787 HydrophobicContact CG-CD2 4.33Å; R760-F787 HydrophobicContact CG-CE2 4.38Å; L763-F787 HydrophobicContact CD1-CE1 4.38Å; L763-F787 HydrophobicContact CD1-CE2 3.68Å; L763-F787 HydrophobicContact CD1-CZ 3.47Å; L763-F787 VanDerWaalsContact CD1-CZ 3.47Å; L781-F787 HydrophobicContact CD1-CE2 4.36Å; G785-F787 PolarHBondContact O-N 3.18Å; F787-L792 HydrophobicContact CB-CD2 4.28Å; F787-I795 HydrophobicContact CD1-CD1 4.38Å; F787-I795 HydrophobicContact CE1-CD1 4.3Å; F787-L809 HydrophobicContact CE1-CD2 4.04Å; F787-L812 HydrophobicContact CD1-CD1 4.2Å; F787-L812 HydrophobicContact CE1-CD1 4.01Å; F787-L814 HydrophobicContact CE1-CD1 4.41Å; F787-L814 HydrophobicContact CZ-CD1 3.72Å |
| 788 | E | 93.5 | Very high | 93.8 | Very high | 115 Ų | 115 | 54.1 Ų | 54.1 | 54% | 0.537 | 28% | 0.276 | S | S | . | . | trans | -60.9 | 156.8 | 173.3 | -60.7 | 177.2 | -145.6 | 0 | 0 | 112.2 | I786 K790 F791 L792 | I786-E788 PolarHBondContact O-N 2.86Å; E788-K790 PolarHBondContact O-N 2.69Å; E788-F791 HydrophobicContact CB-CD2 4.01Å; E788-F791 HydrophobicContact CG-CD2 4.46Å; E788-F791 PolarHBondContact O-N 3Å; E788-L792 PolarHBondContact O-N 3.33Å; E788-L792 VanDerWaalsContact O-N 3.1Å | ||
| 789 | T | 90.6 | Very high | 93.4 | Very high | 17 Ų | 17 | 63.3 Ų | 63.3 | 10% | 0.104 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -47 | -37.4 | 175.5 | -55.5 | 0 | 0 | 0 | 0 | 113.2 | G752 S793 L869 | G752-T789 VanDerWaalsContact CA-OG1 3.3Å; G752-T789 WeakPolarHBondContact CA-OG1 3.4Å; G752-T789 PolarHBondContact O-OG1 3.41Å; T789-S793 VanDerWaalsContact O-CB 3.31Å; T789-S793 WeakPolarHBondContact O-CB 3.47Å; T789-S793 PolarHBondContact O-N 3.43Å; T789-S793 PolarHBondContact O-OG 2.97Å; T789-L869 HydrophobicContact CG2-CB 3.94Å; T789-L869 HydrophobicContact CG2-CD1 3.91Å |
| 790 | K | 92.9 | Very high | 92.7 | Very high | 116 Ų | 116 | 59.2 Ų | 59.2 | 50% | 0.504 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 176.9 | 179.8 | -174 | 174.3 | -173 | 0 | 111.6 | E788 S793 Q794 | E788-K790 PolarHBondContact O-N 2.69Å; K790-S793 PolarHBondContact O-N 3.37Å; K790-Q794 VanDerWaalsContact O-CG 3.3Å; K790-Q794 WeakPolarHBondContact O-CG 3.31Å; K790-Q794 PolarHBondContact O-N 2.91Å |
| 791 | F | 93.1 | Very high | 92.1 | Very high | 42 Ų | 42 | 59.8 Ų | 59.8 | 18% | 0.184 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71 | -40.6 | -178.1 | -65.5 | -63.6 | 0 | 0 | 0 | 111.8 | E788 S793 Q794 I795 I808 L812 | E788-F791 HydrophobicContact CB-CD2 4.01Å; E788-F791 HydrophobicContact CG-CD2 4.46Å; E788-F791 PolarHBondContact O-N 3Å; F791-S793 VanDerWaalsContact C-N 3.3Å; F791-S793 PolarHBondContact O-N 3.03Å; F791-Q794 PolarHBondContact O-N 3.4Å; F791-I795 WeakPolarHBondContact O-CB 3.42Å; F791-I795 WeakPolarHBondContact O-CD1 3.41Å; F791-I795 VanDerWaalsContact O-CG1 3.25Å; F791-I795 WeakPolarHBondContact O-CG1 3.33Å; F791-I795 PolarHBondContact O-N 2.94Å; F791-I808 HydrophobicContact CD1-CG2 3.88Å; F791-L812 HydrophobicContact CB-CD1 4.44Å; F791-L812 HydrophobicContact CD1-CD1 4.49Å; F791-L812 HydrophobicContact CD1-CD2 4.15Å; F791-L812 HydrophobicContact CD2-CD2 3.8Å; F791-L812 HydrophobicContact CE1-CD2 3.97Å; F791-L812 HydrophobicContact CE2-CD2 3.62Å; F791-L812 HydrophobicContact CG-CD1 4.29Å; F791-L812 HydrophobicContact CG-CD2 4.07Å; F791-L812 HydrophobicContact CZ-CD2 3.69Å |
| 792 | L | 93.3 | Very high | 91.5 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.7 | -47.5 | 172.1 | -66.7 | 173.9 | 0 | 0 | 0 | 111.2 | L755 V759 F787 E788 Q794 I795 E796 C828 | L755-L792 HydrophobicContact CB-CD1 3.96Å; V759-L792 HydrophobicContact CB-CD2 4.48Å; V759-L792 HydrophobicContact CG2-CD2 4.03Å; F787-L792 HydrophobicContact CB-CD2 4.28Å; E788-L792 PolarHBondContact O-N 3.33Å; E788-L792 VanDerWaalsContact O-N 3.1Å; L792-Q794 VanDerWaalsContact C-N 3.32Å; L792-Q794 PolarHBondContact O-N 3.23Å; L792-I795 PolarHBondContact O-N 2.9Å; L792-E796 PolarHBondContact O-N 3.33Å; L792-E796 VanDerWaalsContact O-N 3.14Å; L792-C828 HydrophobicContact CD2-CB 4.36Å |
| 793 | S | 93.9 | Very high | 90.9 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -36 | 179.2 | -56.3 | 0 | 0 | 0 | 0 | 112.7 | T789 K790 F791 S797 H873 P874 | T789-S793 VanDerWaalsContact O-CB 3.31Å; T789-S793 WeakPolarHBondContact O-CB 3.47Å; T789-S793 PolarHBondContact O-N 3.43Å; T789-S793 PolarHBondContact O-OG 2.97Å; K790-S793 PolarHBondContact O-N 3.37Å; F791-S793 VanDerWaalsContact C-N 3.3Å; F791-S793 PolarHBondContact O-N 3.03Å; S793-S797 PolarHBondContact O-N 2.77Å; S793-H873 WeakPolarHBondContact OG-CA 3.34Å; S793-P874 WeakPolarHBondContact O-CD 3.5Å |
| 794 | Q | 93.7 | Very high | 90.5 | Very high | 69 Ų | 69 | 60.5 Ų | 60.5 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.5 | -51 | 175.8 | -73.6 | 176.5 | -18.6 | 0 | 0 | 111.3 | K790 F791 L792 E796 S797 L800 I808 | K790-Q794 VanDerWaalsContact O-CG 3.3Å; K790-Q794 WeakPolarHBondContact O-CG 3.31Å; K790-Q794 PolarHBondContact O-N 2.91Å; F791-Q794 PolarHBondContact O-N 3.4Å; L792-Q794 VanDerWaalsContact C-N 3.32Å; L792-Q794 PolarHBondContact O-N 3.23Å; Q794-E796 PolarHBondContact O-N 3.42Å; Q794-S797 WeakPolarHBondContact O-CB 3.31Å; Q794-S797 PolarHBondContact O-N 3.31Å; Q794-L800 WeakPolarHBondContact O-CD1 3.5Å; Q794-I808 HydrophobicContact CB-CD1 3.82Å |
| 795 | I | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.2 | -40.3 | -178.9 | -70.7 | 163.8 | 0 | 0 | 0 | 111.5 | F787 F791 L792 S797 V805 I808 L809 K825 C828 | F787-I795 HydrophobicContact CD1-CD1 4.38Å; F787-I795 HydrophobicContact CE1-CD1 4.3Å; F791-I795 WeakPolarHBondContact O-CB 3.42Å; F791-I795 WeakPolarHBondContact O-CD1 3.41Å; F791-I795 VanDerWaalsContact O-CG1 3.25Å; F791-I795 WeakPolarHBondContact O-CG1 3.33Å; F791-I795 PolarHBondContact O-N 2.94Å; L792-I795 PolarHBondContact O-N 2.9Å; I795-S797 VanDerWaalsContact C-N 3.32Å; I795-S797 PolarHBondContact O-N 3.28Å; I795-V805 HydrophobicContact CG1-CG1 4.44Å; I795-V805 HydrophobicContact CG2-CG1 4.05Å; I795-I808 HydrophobicContact CG1-CG2 4.23Å; I795-L809 HydrophobicContact CD1-CD2 3.92Å; I795-K825 HydrophobicContact CG2-CB 4.02Å; I795-K825 HydrophobicContact CG2-CG 4.24Å; I795-K825 WeakPolarHBondContact O-CD 3.25Å; I795-K825 WeakPolarHBondContact O-CE 3.18Å; I795-C828 HydrophobicContact CG2-CB 4.46Å |
| 796 | E | 95.2 | Very high | 90.4 | Very high | 9 Ų | 9 | 53.2 Ų | 53.2 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -0.3 | -179.2 | -70.9 | -165.6 | -132.1 | 0 | 0 | 115.1 | L792 Q794 D798 C828 G829 S832 H873 P874 H875 | L792-E796 PolarHBondContact O-N 3.33Å; L792-E796 VanDerWaalsContact O-N 3.14Å; Q794-E796 PolarHBondContact O-N 3.42Å; E796-D798 PolarHBondContact O-N 3.04Å; E796-C828 HydrophobicContact CG-CB 3.83Å; E796-C828 WeakPolarHBondContact OE1-CB 3.38Å; E796-C828 VanDerWaalsContact OE1-O 3.07Å; E796-G829 PolarHBondContact OE1-N 2.89Å; E796-G829 WeakPolarHBondContact OE2-CA 3.34Å; E796-S832 VanDerWaalsContact OE1-CB 3.24Å; E796-S832 WeakPolarHBondContact OE1-CB 3.25Å; E796-S832 PolarHBondContact OE1-OG 3.2Å; E796-S832 PolarHBondContact OE2-OG 2.8Å; E796-H873 IonicContact OE1-CE1 3.75Å; E796-H873 IonicContact OE1-NE2 3.87Å; E796-H873 PolarHBondContact OE1-NE2 2.9Å; E796-H873 VanDerWaalsContact OE1-NE2 3.15Å; E796-H873 IonicContact OE2-CE1 2.91Å; E796-H873 PolarHBondContact OE2-CE1 3.41Å; E796-H873 VanDerWaalsContact OE2-CE1 3.27Å; E796-H873 IonicContact OE2-NE2 2.68Å; E796-P874 HydrophobicContact CB-CG 3.9Å; E796-H875 PolarHBondContact O-NE2 3.34Å; E796-H875 IonicContact OE2-CD2 3.44Å |
| 797 | S | 92.8 | Very high | 90.2 | Very high | 31 Ų | 31 | 54.5 Ų | 54.5 | 22% | 0.217 | 27% | 0.268 | C | S | . | . | trans | -63.3 | 132.1 | -178.5 | -172 | 0 | 0 | 0 | 0 | 112 | S793 Q794 I795 R799 L800 K825 | S793-S797 PolarHBondContact O-N 2.77Å; Q794-S797 WeakPolarHBondContact O-CB 3.31Å; Q794-S797 PolarHBondContact O-N 3.31Å; I795-S797 VanDerWaalsContact C-N 3.32Å; I795-S797 PolarHBondContact O-N 3.28Å; S797-R799 PolarHBondContact O-N 3.01Å; S797-R799 PolarHBondContact OG-N 3.38Å; S797-L800 PolarHBondContact O-N 3.02Å; S797-K825 PolarHBondContact O-NZ 3.11Å | ||
| 798 | D | 85.8 | Confident | 90.1 | Very high | 125 Ų | 125 | 55.5 Ų | 55.5 | 67% | 0.668 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -17.8 | 176.2 | -62.2 | -23.7 | 0 | 0 | 0 | 112.8 | E796 H875 | E796-D798 PolarHBondContact O-N 3.04Å; D798-H875 IonicContact OD1-CE1 3.83Å; D798-H875 PolarHBondContact OD1-CE1 3.36Å; D798-H875 IonicContact OD1-NE2 2.68Å; D798-H875 PolarHBondContact OD1-NE2 2.91Å; D798-H875 IonicContact OD2-CE1 2.89Å; D798-H875 PolarHBondContact OD2-CE1 2.95Å; D798-H875 VanDerWaalsContact OD2-CE1 3.3Å |
| 799 | R | 84.5 | Confident | 90.1 | Very high | 231 Ų | 231 | 50 Ų | 50 | 87% | 0.872 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -5.8 | -177.7 | -64.6 | -174.4 | 179.9 | 179 | 0.5 | 113.4 | S797 | S797-R799 PolarHBondContact O-N 3.01Å; S797-R799 PolarHBondContact OG-N 3.38Å |
| 800 | L | 81.4 | Confident | 90.2 | Very high | 46 Ų | 46 | 53 Ų | 53 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | trans | -94 | 130.1 | -179.3 | -67.8 | -174.2 | 0 | 0 | 0 | 111.5 | Q794 S797 Q804 V805 I808 | Q794-L800 WeakPolarHBondContact O-CD1 3.5Å; S797-L800 PolarHBondContact O-N 3.02Å; L800-Q804 VanDerWaalsContact CA-OE1 3.3Å; L800-Q804 HydrophobicContact CB-CB 4.26Å; L800-Q804 HydrophobicContact CD2-CB 4.04Å; L800-Q804 HydrophobicContact CD2-CG 4.45Å; L800-V805 HydrophobicContact CB-CG2 4.47Å; L800-I808 HydrophobicContact CD1-CD1 3.8Å | ||
| 801 | A | 83.3 | Confident | 90.2 | Very high | 49 Ų | 49 | 55 Ų | 55 | 41% | 0.405 | 27% | 0.271 | S | S | . | . | trans | -68.9 | 157.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L803 Q804 V805 | A801-L803 PolarHBondContact O-N 3.27Å; A801-Q804 WeakPolarHBondContact O-CB 3.46Å; A801-Q804 PolarHBondContact O-N 3Å; A801-V805 PolarHBondContact O-N 3.08Å | ||
| 802 | L | 83.4 | Confident | 90.2 | Very high | 35 Ų | 35 | 54 Ų | 54 | 18% | 0.183 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57 | -37.7 | -177.4 | -176 | 60.8 | 0 | 0 | 0 | 112.6 | Q804 V805 R806 C818 I822 | L802-Q804 PolarHBondContact O-N 3.12Å; L802-V805 WeakPolarHBondContact O-CB 3.28Å; L802-V805 PolarHBondContact O-N 2.9Å; L802-V805 VanDerWaalsContact O-N 3.16Å; L802-R806 PolarHBondContact O-N 2.84Å; L802-C818 HydrophobicContact CD2-CB 3.9Å; L802-C818 HydrophobicContact CG-CB 4.46Å; L802-I822 HydrophobicContact CD1-CG1 3.63Å; L802-I822 HydrophobicContact CD2-CD1 3.95Å; L802-I822 HydrophobicContact CD2-CG1 3.84Å; L802-I822 HydrophobicContact CG-CG1 4.41Å |
| 803 | L | 83.6 | Confident | 90.1 | Very high | 63 Ų | 63 | 55.6 Ų | 55.6 | 33% | 0.33 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.1 | -30.8 | 176.8 | -65.2 | 173.8 | 0 | 0 | 0 | 113.2 | A801 T807 | A801-L803 PolarHBondContact O-N 3.27Å; L803-T807 WeakPolarHBondContact O-CB 3.46Å; L803-T807 PolarHBondContact O-N 3.4Å; L803-T807 PolarHBondContact O-OG1 3.39Å |
| 804 | Q | 88.3 | Confident | 90.1 | Very high | 92 Ų | 92 | 55.3 Ų | 55.3 | 43% | 0.43 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -75.4 | -37.9 | 177.2 | -66.2 | 175 | -51.9 | 0 | 0 | 111.1 | L800 A801 L802 R806 T807 I808 | L800-Q804 VanDerWaalsContact CA-OE1 3.3Å; L800-Q804 HydrophobicContact CB-CB 4.26Å; L800-Q804 HydrophobicContact CD2-CB 4.04Å; L800-Q804 HydrophobicContact CD2-CG 4.45Å; A801-Q804 WeakPolarHBondContact O-CB 3.46Å; A801-Q804 PolarHBondContact O-N 3Å; L802-Q804 PolarHBondContact O-N 3.12Å; Q804-R806 VanDerWaalsContact C-N 3.33Å; Q804-T807 WeakPolarHBondContact O-CB 3.41Å; Q804-T807 PolarHBondContact O-N 2.94Å; Q804-I808 WeakPolarHBondContact O-CG1 3.47Å; Q804-I808 PolarHBondContact O-N 3.39Å |
| 805 | V | 91.4 | Very high | 90 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.4 | -47.4 | 171.9 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | I795 L800 A801 L802 T807 I808 L809 | I795-V805 HydrophobicContact CG1-CG1 4.44Å; I795-V805 HydrophobicContact CG2-CG1 4.05Å; L800-V805 HydrophobicContact CB-CG2 4.47Å; A801-V805 PolarHBondContact O-N 3.08Å; L802-V805 WeakPolarHBondContact O-CB 3.28Å; L802-V805 PolarHBondContact O-N 2.9Å; L802-V805 VanDerWaalsContact O-N 3.16Å; V805-T807 VanDerWaalsContact C-N 3.3Å; V805-T807 PolarHBondContact O-N 3.06Å; V805-I808 WeakPolarHBondContact O-CB 3.32Å; V805-I808 PolarHBondContact O-N 3.03Å; V805-I808 VanDerWaalsContact O-N 3.15Å; V805-L809 HydrophobicContact CG1-CD1 4.36Å; V805-L809 WeakPolarHBondContact O-CG 3.3Å; V805-L809 PolarHBondContact O-N 3.24Å; V805-L809 VanDerWaalsContact O-N 3.08Å |
| 806 | R | 92.2 | Very high | 89.8 | Confident | 25 Ų | 25 | 56.4 Ų | 56.4 | 9% | 0.094 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.7 | -46.1 | 174.3 | -172.2 | -173.1 | 69.7 | -161.5 | -3.5 | 111.9 | D257 E258 L802 Q804 I808 L809 Q810 S816 S821 | D257-R806 IonicContact OD1-CZ 2.7Å; D257-R806 IonicContact OD1-NH1 2.84Å; D257-R806 PolarHBondContact OD1-NH1 3.38Å; D257-R806 IonicContact OD1-NH2 3.84Å; D257-R806 PolarHBondContact OD1-NH2 3.09Å; D257-R806 IonicContact OD2-CZ 2.7Å; D257-R806 IonicContact OD2-NH1 3.99Å; D257-R806 IonicContact OD2-NH2 2.64Å; D257-R806 PolarHBondContact OD2-NH2 2.99Å; E258-R806 WeakPolarHBondContact OE1-CD 3.28Å; E258-R806 IonicContact OE1-CZ 3.95Å; E258-R806 VanDerWaalsContact OE1-CZ 3.29Å; E258-R806 IonicContact OE1-NE 3.09Å; E258-R806 PolarHBondContact OE1-NE 3.5Å; E258-R806 IonicContact OE1-NH1 2.77Å; E258-R806 PolarHBondContact OE1-NH1 3.37Å; E258-R806 IonicContact OE2-NH1 3.35Å; L802-R806 PolarHBondContact O-N 2.84Å; Q804-R806 VanDerWaalsContact C-N 3.33Å; R806-I808 VanDerWaalsContact C-N 3.28Å; R806-I808 PolarHBondContact O-N 3.16Å; R806-L809 PolarHBondContact O-N 3.35Å; R806-L809 VanDerWaalsContact O-N 3.16Å; R806-Q810 HydrophobicContact CG-CG 4.34Å; R806-Q810 WeakPolarHBondContact O-CG 3.2Å; R806-Q810 PolarHBondContact O-N 3.46Å; R806-S816 WeakPolarHBondContact CD-O 3.41Å; R806-S816 WeakPolarHBondContact CG-O 3.37Å; R806-S821 VanDerWaalsContact CA-OG 3.29Å; R806-S821 WeakPolarHBondContact CA-OG 3.37Å; R806-S821 WeakPolarHBondContact CB-OG 3.49Å |
| 807 | T | 91.8 | Very high | 89.4 | Confident | 61 Ų | 61 | 57.3 Ų | 57.3 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.5 | -38 | -180 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | L803 Q804 V805 H811 | L803-T807 WeakPolarHBondContact O-CB 3.46Å; L803-T807 PolarHBondContact O-N 3.4Å; L803-T807 PolarHBondContact O-OG1 3.39Å; Q804-T807 WeakPolarHBondContact O-CB 3.41Å; Q804-T807 PolarHBondContact O-N 2.94Å; V805-T807 VanDerWaalsContact C-N 3.3Å; V805-T807 PolarHBondContact O-N 3.06Å; T807-H811 WeakPolarHBondContact O-CB 3.37Å; T807-H811 PolarHBondContact O-N 2.68Å; T807-H811 PolarHBondContact O-ND1 2.71Å |
| 808 | I | 92.9 | Very high | 89.1 | Confident | 24 Ų | 24 | 56.4 Ų | 56.4 | 12% | 0.123 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.4 | -47.8 | 175.1 | -67.5 | 159.8 | 0 | 0 | 0 | 110.3 | F791 Q794 I795 L800 Q804 V805 R806 Q810 H811 L812 | F791-I808 HydrophobicContact CD1-CG2 3.88Å; Q794-I808 HydrophobicContact CB-CD1 3.82Å; I795-I808 HydrophobicContact CG1-CG2 4.23Å; L800-I808 HydrophobicContact CD1-CD1 3.8Å; Q804-I808 WeakPolarHBondContact O-CG1 3.47Å; Q804-I808 PolarHBondContact O-N 3.39Å; V805-I808 WeakPolarHBondContact O-CB 3.32Å; V805-I808 PolarHBondContact O-N 3.03Å; V805-I808 VanDerWaalsContact O-N 3.15Å; R806-I808 VanDerWaalsContact C-N 3.28Å; R806-I808 PolarHBondContact O-N 3.16Å; I808-Q810 VanDerWaalsContact C-N 3.32Å; I808-Q810 PolarHBondContact O-N 2.75Å; I808-H811 WeakPolarHBondContact O-CB 3.42Å; I808-H811 PolarHBondContact O-N 3.27Å; I808-L812 WeakPolarHBondContact O-CG 3.15Å; I808-L812 PolarHBondContact O-N 2.65Å |
| 809 | L | 94.4 | Very high | 89 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 179.2 | -62.6 | 174.9 | 0 | 0 | 0 | 112 | F787 I795 V805 R806 L812 G813 L814 S816 V824 | F787-L809 HydrophobicContact CE1-CD2 4.04Å; I795-L809 HydrophobicContact CD1-CD2 3.92Å; V805-L809 HydrophobicContact CG1-CD1 4.36Å; V805-L809 WeakPolarHBondContact O-CG 3.3Å; V805-L809 PolarHBondContact O-N 3.24Å; V805-L809 VanDerWaalsContact O-N 3.08Å; R806-L809 PolarHBondContact O-N 3.35Å; R806-L809 VanDerWaalsContact O-N 3.16Å; L809-L812 WeakPolarHBondContact O-CB 3.48Å; L809-L812 PolarHBondContact O-N 3.35Å; L809-G813 PolarHBondContact O-N 2.97Å; L809-L814 HydrophobicContact CB-CB 4.48Å; L809-L814 HydrophobicContact CD2-CD1 4.19Å; L809-L814 WeakPolarHBondContact O-CB 3.47Å; L809-L814 PolarHBondContact O-N 3.02Å; L809-S816 VanDerWaalsContact CD1-OG 3.3Å; L809-S816 WeakPolarHBondContact CD1-OG 3.35Å; L809-V824 HydrophobicContact CD1-CB 4.04Å; L809-V824 HydrophobicContact CD1-CG1 4.08Å; L809-V824 HydrophobicContact CD1-CG2 4.11Å; L809-V824 HydrophobicContact CD2-CG1 3.84Å |
| 810 | Q | 92.9 | Very high | 89.3 | Confident | 79 Ų | 79 | 43.7 Ų | 43.7 | 37% | 0.369 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.6 | -38.5 | 174 | -71.3 | 176.8 | -7.1 | 0 | 0 | 112.3 | R806 I808 L812 G813 L814 S816 | R806-Q810 HydrophobicContact CG-CG 4.34Å; R806-Q810 WeakPolarHBondContact O-CG 3.2Å; R806-Q810 PolarHBondContact O-N 3.46Å; I808-Q810 VanDerWaalsContact C-N 3.32Å; I808-Q810 PolarHBondContact O-N 2.75Å; Q810-L812 VanDerWaalsContact C-N 3.27Å; Q810-L812 PolarHBondContact O-N 2.88Å; Q810-G813 WeakPolarHBondContact O-CA 3.41Å; Q810-G813 PolarHBondContact O-N 2.92Å; Q810-L814 WeakPolarHBondContact CA-O 3.43Å; Q810-S816 PolarHBondContact NE2-O 3.01Å |
| 811 | H | 92.7 | Very high | 89.9 | Confident | 157 Ų | 157 | 41.5 Ų | 41.5 | 73% | 0.727 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62.8 | -33.4 | 172.6 | -89.8 | 76.5 | 0 | 0 | 0 | 112.8 | T807 I808 G813 | T807-H811 WeakPolarHBondContact O-CB 3.37Å; T807-H811 PolarHBondContact O-N 2.68Å; T807-H811 PolarHBondContact O-ND1 2.71Å; I808-H811 WeakPolarHBondContact O-CB 3.42Å; I808-H811 PolarHBondContact O-N 3.27Å; H811-G813 PolarHBondContact O-N 3.34Å |
| 812 | L | 91.8 | Very high | 90.2 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 12% | 0.115 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -15.6 | 172.2 | -68.1 | 173.6 | 0 | 0 | 0 | 112.2 | T780 I786 F787 F791 I808 L809 Q810 | T780-L812 WeakPolarHBondContact CG2-O 3.3Å; I786-L812 HydrophobicContact CG1-CD2 4.45Å; F787-L812 HydrophobicContact CD1-CD1 4.2Å; F787-L812 HydrophobicContact CE1-CD1 4.01Å; F791-L812 HydrophobicContact CB-CD1 4.44Å; F791-L812 HydrophobicContact CD1-CD1 4.49Å; F791-L812 HydrophobicContact CD1-CD2 4.15Å; F791-L812 HydrophobicContact CD2-CD2 3.8Å; F791-L812 HydrophobicContact CE1-CD2 3.97Å; F791-L812 HydrophobicContact CE2-CD2 3.62Å; F791-L812 HydrophobicContact CG-CD1 4.29Å; F791-L812 HydrophobicContact CG-CD2 4.07Å; F791-L812 HydrophobicContact CZ-CD2 3.69Å; I808-L812 WeakPolarHBondContact O-CG 3.15Å; I808-L812 PolarHBondContact O-N 2.65Å; L809-L812 WeakPolarHBondContact O-CB 3.48Å; L809-L812 PolarHBondContact O-N 3.35Å; Q810-L812 VanDerWaalsContact C-N 3.27Å; Q810-L812 PolarHBondContact O-N 2.88Å |
| 813 | G | 92.8 | Very high | 90.8 | Very high | 39 Ų | 39 | 41.9 Ų | 41.9 | 40% | 0.402 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | 25.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T780 L809 Q810 H811 | T780-G813 PolarHBondContact OG1-O 3.32Å; L809-G813 PolarHBondContact O-N 2.97Å; Q810-G813 WeakPolarHBondContact O-CA 3.41Å; Q810-G813 PolarHBondContact O-N 2.92Å; H811-G813 PolarHBondContact O-N 3.34Å |
| 814 | L | 93.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | trans | -101.6 | 126.1 | 174 | -54.7 | 174.8 | 0 | 0 | 0 | 109.7 | F773 T780 L781 F787 L809 Q810 S816 | F773-L814 HydrophobicContact CE1-CB 4.42Å; F773-L814 HydrophobicContact CZ-CD1 4.25Å; T780-L814 HydrophobicContact CG2-CD2 3.87Å; T780-L814 HydrophobicContact CG2-CG 4.37Å; L781-L814 HydrophobicContact CB-CD2 4Å; L781-L814 HydrophobicContact CD1-CD2 4.4Å; F787-L814 HydrophobicContact CE1-CD1 4.41Å; F787-L814 HydrophobicContact CZ-CD1 3.72Å; L809-L814 HydrophobicContact CB-CB 4.48Å; L809-L814 HydrophobicContact CD2-CD1 4.19Å; L809-L814 WeakPolarHBondContact O-CB 3.47Å; L809-L814 PolarHBondContact O-N 3.02Å; Q810-L814 WeakPolarHBondContact CA-O 3.43Å; L814-S816 PolarHBondContact O-N 2.98Å | ||
| 815 | D | 90.1 | Very high | 91.8 | Very high | 91 Ų | 91 | 37.5 Ų | 37.5 | 49% | 0.487 | 20% | 0.2 | S | C | . | . | trans | -74 | 72.5 | 173.3 | -173.7 | 24.8 | 0 | 0 | 0 | 109.7 | R774 | R774-D815 IonicContact CZ-OD2 2.72Å; R774-D815 IonicContact NH1-OD2 3.18Å; R774-D815 PolarHBondContact NH1-OD2 3.46Å; R774-D815 IonicContact NH2-OD2 2.87Å | ||
| 816 | S | 90.4 | Very high | 92 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | trans | -92.3 | 132.9 | -175.8 | -170.4 | 0 | 0 | 0 | 0 | 111.1 | R806 L809 Q810 L814 D820 S821 | R806-S816 WeakPolarHBondContact CD-O 3.41Å; R806-S816 WeakPolarHBondContact CG-O 3.37Å; L809-S816 VanDerWaalsContact CD1-OG 3.3Å; L809-S816 WeakPolarHBondContact CD1-OG 3.35Å; Q810-S816 PolarHBondContact NE2-O 3.01Å; L814-S816 PolarHBondContact O-N 2.98Å; S816-D820 WeakPolarHBondContact OG-CB 3.38Å; S816-S821 PolarHBondContact OG-OG 3.19Å | ||
| 817 | T | 87.9 | Confident | 92.3 | Very high | 29 Ų | 29 | 41.3 Ų | 41.3 | 18% | 0.178 | 22% | 0.219 | C | C | . | . | trans | -86.7 | 176.2 | 165.9 | 64.5 | 0 | 0 | 0 | 0 | 111.7 | E258 D819 D820 S821 | E258-T817 VanDerWaalsContact OE2-CA 3.25Å; E258-T817 WeakPolarHBondContact OE2-CA 3.36Å; E258-T817 VanDerWaalsContact OE2-CB 3.32Å; E258-T817 WeakPolarHBondContact OE2-CB 3.3Å; T817-D819 VanDerWaalsContact C-N 3.35Å; T817-D819 PolarHBondContact OG1-N 3.43Å; T817-D820 WeakPolarHBondContact CB-OD2 3.14Å; T817-D820 WeakPolarHBondContact CG2-OD2 3.34Å; T817-D820 PolarHBondContact N-OD2 3.24Å; T817-D820 PolarHBondContact OG1-N 3.38Å; T817-D820 VanDerWaalsContact OG1-N 3.14Å; T817-D820 PolarHBondContact OG1-OD2 3.46Å; T817-S821 WeakPolarHBondContact O-CB 3.37Å; T817-S821 PolarHBondContact O-N 3.14Å; T817-S821 PolarHBondContact O-OG 3.4Å | ||
| 818 | C | 84.9 | Confident | 92.6 | Very high | 11 Ų | 11 | 38.4 Ų | 38.4 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.5 | -44.5 | 169.1 | -72.4 | 0 | 0 | 0 | 0 | 112.2 | E258 L802 S821 I822 | E258-C818 PolarHBondContact OE2-N 3.19Å; L802-C818 HydrophobicContact CD2-CB 3.9Å; L802-C818 HydrophobicContact CG-CB 4.46Å; C818-S821 WeakPolarHBondContact O-CB 3.34Å; C818-S821 PolarHBondContact O-N 3.28Å; C818-S821 VanDerWaalsContact O-N 3.14Å; C818-I822 WeakPolarHBondContact O-CG1 3.41Å; C818-I822 PolarHBondContact O-N 3.42Å; C818-I822 VanDerWaalsContact O-N 3.13Å |
| 819 | D | 85 | Confident | 92.8 | Very high | 80 Ų | 80 | 38.3 Ų | 38.3 | 43% | 0.428 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.2 | -40.1 | -179 | -63.7 | -23.7 | 0 | 0 | 0 | 111.2 | R69 T817 S821 I822 I823 | R69-D819 IonicContact NH1-OD2 3.89Å; T817-D819 VanDerWaalsContact C-N 3.35Å; T817-D819 PolarHBondContact OG1-N 3.43Å; D819-S821 VanDerWaalsContact C-N 3.26Å; D819-S821 PolarHBondContact O-N 2.9Å; D819-I822 PolarHBondContact O-N 3.2Å; D819-I823 PolarHBondContact O-N 3.14Å |
| 820 | D | 90.8 | Very high | 93 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 5% | 0.053 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.3 | -41.4 | 171.9 | -65.4 | -53.3 | 0 | 0 | 0 | 111.2 | L772 F773 S816 T817 I822 I823 V824 | L772-D820 VanDerWaalsContact CA-OD1 3.31Å; L772-D820 WeakPolarHBondContact CA-OD1 3.47Å; L772-D820 HydrophobicContact CD2-CB 3.83Å; L772-D820 VanDerWaalsContact CD2-OD1 3.25Å; L772-D820 WeakPolarHBondContact CD2-OD1 3.3Å; F773-D820 HydrophobicContact CD1-CB 4.11Å; F773-D820 HydrophobicContact CE1-CB 3.87Å; F773-D820 PolarHBondContact N-OD1 2.94Å; S816-D820 WeakPolarHBondContact OG-CB 3.38Å; T817-D820 WeakPolarHBondContact CB-OD2 3.14Å; T817-D820 WeakPolarHBondContact CG2-OD2 3.34Å; T817-D820 PolarHBondContact N-OD2 3.24Å; T817-D820 PolarHBondContact OG1-N 3.38Å; T817-D820 VanDerWaalsContact OG1-N 3.14Å; T817-D820 PolarHBondContact OG1-OD2 3.46Å; D820-I822 VanDerWaalsContact C-N 3.33Å; D820-I822 PolarHBondContact O-N 2.94Å; D820-I823 PolarHBondContact O-N 3.37Å; D820-V824 WeakPolarHBondContact O-CB 3.45Å; D820-V824 VanDerWaalsContact O-CG2 3.23Å; D820-V824 WeakPolarHBondContact O-CG2 3.42Å; D820-V824 PolarHBondContact O-N 2.85Å |
| 821 | S | 93.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.2 | -35.7 | -178.4 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | R806 S816 T817 C818 D819 K825 | R806-S821 VanDerWaalsContact CA-OG 3.29Å; R806-S821 WeakPolarHBondContact CA-OG 3.37Å; R806-S821 WeakPolarHBondContact CB-OG 3.49Å; S816-S821 PolarHBondContact OG-OG 3.19Å; T817-S821 WeakPolarHBondContact O-CB 3.37Å; T817-S821 PolarHBondContact O-N 3.14Å; T817-S821 PolarHBondContact O-OG 3.4Å; C818-S821 WeakPolarHBondContact O-CB 3.34Å; C818-S821 PolarHBondContact O-N 3.28Å; C818-S821 VanDerWaalsContact O-N 3.14Å; D819-S821 VanDerWaalsContact C-N 3.26Å; D819-S821 PolarHBondContact O-N 2.9Å; S821-K825 VanDerWaalsContact O-CB 3.32Å; S821-K825 WeakPolarHBondContact O-CB 3.46Å; S821-K825 PolarHBondContact O-N 3.36Å |
| 822 | I | 90.9 | Very high | 93.6 | Very high | 71 Ų | 71 | 28.4 Ų | 28.4 | 36% | 0.364 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.6 | -52.7 | 174 | -63.3 | 172.2 | 0 | 0 | 0 | 109.4 | L802 C818 D819 D820 V824 K825 E826 | L802-I822 HydrophobicContact CD1-CG1 3.63Å; L802-I822 HydrophobicContact CD2-CD1 3.95Å; L802-I822 HydrophobicContact CD2-CG1 3.84Å; L802-I822 HydrophobicContact CG-CG1 4.41Å; C818-I822 WeakPolarHBondContact O-CG1 3.41Å; C818-I822 PolarHBondContact O-N 3.42Å; C818-I822 VanDerWaalsContact O-N 3.13Å; D819-I822 PolarHBondContact O-N 3.2Å; D820-I822 VanDerWaalsContact C-N 3.33Å; D820-I822 PolarHBondContact O-N 2.94Å; I822-V824 PolarHBondContact O-N 3.32Å; I822-K825 WeakPolarHBondContact O-CB 3.21Å; I822-K825 PolarHBondContact O-N 3.18Å; I822-E826 PolarHBondContact O-N 3.28Å |
| 823 | I | 94.5 | Very high | 93.9 | Very high | 20 Ų | 20 | 33.3 Ų | 33.3 | 10% | 0.103 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.3 | -44.6 | -177.8 | -64.3 | 165.7 | 0 | 0 | 0 | 110.8 | I476 M766 L772 D819 D820 K825 E826 V827 | I476-I823 HydrophobicContact CD1-CD1 3.81Å; I476-I823 HydrophobicContact CD1-CG1 4.18Å; I476-I823 HydrophobicContact CD1-CG2 4.33Å; M766-I823 HydrophobicContact SD-CG2 3.92Å; L772-I823 HydrophobicContact CD1-CG2 4.09Å; L772-I823 HydrophobicContact CD2-CB 3.84Å; L772-I823 HydrophobicContact CD2-CD1 3.99Å; L772-I823 HydrophobicContact CD2-CG2 3.83Å; L772-I823 HydrophobicContact CG-CG2 4.1Å; D819-I823 PolarHBondContact O-N 3.14Å; D820-I823 PolarHBondContact O-N 3.37Å; I823-K825 VanDerWaalsContact C-N 3.31Å; I823-K825 PolarHBondContact O-N 3.12Å; I823-E826 PolarHBondContact O-N 3.44Å; I823-V827 HydrophobicContact CG2-CG2 4.39Å; I823-V827 VanDerWaalsContact O-CG2 3.28Å; I823-V827 WeakPolarHBondContact O-CG2 3.48Å; I823-V827 PolarHBondContact O-N 3Å |
| 824 | V | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.1 | -42.6 | 177.2 | 172.9 | 0 | 0 | 0 | 0 | 111 | L763 L772 F773 L809 D820 I822 E826 V827 C828 | L763-V824 HydrophobicContact CD1-CG1 4.21Å; L763-V824 HydrophobicContact CD1-CG2 4.1Å; L763-V824 HydrophobicContact CD2-CB 4.45Å; L763-V824 HydrophobicContact CD2-CG2 3.82Å; L772-V824 HydrophobicContact CD1-CG2 4.47Å; L772-V824 HydrophobicContact CD2-CG2 4.5Å; F773-V824 HydrophobicContact CE1-CG2 4.48Å; F773-V824 HydrophobicContact CZ-CG2 3.86Å; L809-V824 HydrophobicContact CD1-CB 4.04Å; L809-V824 HydrophobicContact CD1-CG1 4.08Å; L809-V824 HydrophobicContact CD1-CG2 4.11Å; L809-V824 HydrophobicContact CD2-CG1 3.84Å; D820-V824 WeakPolarHBondContact O-CB 3.45Å; D820-V824 VanDerWaalsContact O-CG2 3.23Å; D820-V824 WeakPolarHBondContact O-CG2 3.42Å; D820-V824 PolarHBondContact O-N 2.85Å; I822-V824 PolarHBondContact O-N 3.32Å; V824-E826 PolarHBondContact O-N 3.41Å; V824-V827 PolarHBondContact O-N 3.46Å; V824-C828 PolarHBondContact O-N 3.46Å; V824-C828 PolarHBondContact O-SG 2.94Å |
| 825 | K | 96.1 | Very high | 94.4 | Very high | 63 Ų | 63 | 31.4 Ų | 31.4 | 27% | 0.274 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.5 | -40.9 | 176.3 | -176.4 | 171.9 | -177.3 | 167.6 | 0 | 112 | I795 S797 S821 I822 I823 C828 G829 | I795-K825 HydrophobicContact CG2-CB 4.02Å; I795-K825 HydrophobicContact CG2-CG 4.24Å; I795-K825 WeakPolarHBondContact O-CD 3.25Å; I795-K825 WeakPolarHBondContact O-CE 3.18Å; S797-K825 PolarHBondContact O-NZ 3.11Å; S821-K825 VanDerWaalsContact O-CB 3.32Å; S821-K825 WeakPolarHBondContact O-CB 3.46Å; S821-K825 PolarHBondContact O-N 3.36Å; I822-K825 WeakPolarHBondContact O-CB 3.21Å; I822-K825 PolarHBondContact O-N 3.18Å; I823-K825 VanDerWaalsContact C-N 3.31Å; I823-K825 PolarHBondContact O-N 3.12Å; K825-C828 PolarHBondContact O-N 3.33Å; K825-G829 PolarHBondContact O-N 2.85Å |
| 826 | E | 96.3 | Very high | 94.8 | Very high | 107 Ų | 107 | 27 Ų | 27 | 50% | 0.5 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -64.7 | -41.7 | 175.5 | -71.3 | -173 | 172.3 | 0 | 0 | 112.7 | L480 I822 I823 V824 G829 A830 | L480-E826 HydrophobicContact CD1-CB 4.2Å; I822-E826 PolarHBondContact O-N 3.28Å; I823-E826 PolarHBondContact O-N 3.44Å; V824-E826 PolarHBondContact O-N 3.41Å; E826-G829 PolarHBondContact O-N 2.74Å; E826-A830 WeakPolarHBondContact O-CB 3.38Å; E826-A830 PolarHBondContact O-N 2.91Å |
| 827 | V | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.4 | -49 | 175.5 | 173 | 0 | 0 | 0 | 0 | 110.6 | L480 V759 I762 L763 M766 I823 V824 G829 A830 V831 | L480-V827 HydrophobicContact CD2-CB 4.42Å; L480-V827 HydrophobicContact CD2-CG2 3.94Å; V759-V827 HydrophobicContact CB-CG1 4.45Å; V759-V827 HydrophobicContact CG1-CG1 4.1Å; V759-V827 HydrophobicContact CG2-CG1 4.34Å; I762-V827 HydrophobicContact CB-CG1 3.91Å; I762-V827 HydrophobicContact CD1-CG1 3.84Å; I762-V827 HydrophobicContact CG2-CG1 3.73Å; I762-V827 HydrophobicContact CG2-CG2 4.02Å; L763-V827 HydrophobicContact CD2-CB 4.25Å; L763-V827 HydrophobicContact CD2-CG1 4.19Å; L763-V827 HydrophobicContact CD2-CG2 4.07Å; M766-V827 HydrophobicContact CE-CG2 3.93Å; M766-V827 HydrophobicContact SD-CG2 3.84Å; I823-V827 HydrophobicContact CG2-CG2 4.39Å; I823-V827 VanDerWaalsContact O-CG2 3.28Å; I823-V827 WeakPolarHBondContact O-CG2 3.48Å; I823-V827 PolarHBondContact O-N 3Å; V824-V827 PolarHBondContact O-N 3.46Å; V827-G829 VanDerWaalsContact C-N 3.35Å; V827-G829 PolarHBondContact O-N 3.03Å; V827-A830 PolarHBondContact O-N 3.34Å; V827-V831 WeakPolarHBondContact O-CG2 3.29Å; V827-V831 PolarHBondContact O-N 2.9Å; V827-V831 VanDerWaalsContact O-N 3.15Å |
| 828 | C | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.2 | -51.3 | 175.7 | -68.2 | 0 | 0 | 0 | 0 | 111 | L792 I795 E796 V824 K825 A830 V831 S832 | L792-C828 HydrophobicContact CD2-CB 4.36Å; I795-C828 HydrophobicContact CG2-CB 4.46Å; E796-C828 HydrophobicContact CG-CB 3.83Å; E796-C828 WeakPolarHBondContact OE1-CB 3.38Å; E796-C828 VanDerWaalsContact OE1-O 3.07Å; V824-C828 PolarHBondContact O-N 3.46Å; V824-C828 PolarHBondContact O-SG 2.94Å; K825-C828 PolarHBondContact O-N 3.33Å; C828-A830 VanDerWaalsContact C-N 3.33Å; C828-A830 PolarHBondContact O-N 3.09Å; C828-V831 PolarHBondContact O-N 3.11Å; C828-V831 VanDerWaalsContact O-N 3.17Å; C828-S832 WeakPolarHBondContact O-CB 3.34Å; C828-S832 PolarHBondContact O-N 3.18Å; C828-S832 PolarHBondContact O-OG 2.92Å |
| 829 | G | 97.7 | Very high | 96.4 | Very high | 21 Ų | 21 | 26.5 Ų | 26.5 | 22% | 0.216 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.1 | -35.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E796 K825 E826 V827 R833 | E796-G829 PolarHBondContact OE1-N 2.89Å; E796-G829 WeakPolarHBondContact OE2-CA 3.34Å; K825-G829 PolarHBondContact O-N 2.85Å; E826-G829 PolarHBondContact O-N 2.74Å; V827-G829 VanDerWaalsContact C-N 3.35Å; V827-G829 PolarHBondContact O-N 3.03Å; G829-R833 WeakPolarHBondContact O-CB 3.48Å; G829-R833 PolarHBondContact O-N 3.41Å; G829-R833 VanDerWaalsContact O-N 3.1Å |
| 830 | A | 98.4 | Very high | 97.1 | Very high | 22 Ų | 22 | 22.7 Ų | 22.7 | 18% | 0.182 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.7 | -45.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | L480 F483 E826 V827 C828 R834 | L480-A830 HydrophobicContact CD2-CB 4.1Å; F483-A830 HydrophobicContact CB-CB 4.4Å; E826-A830 WeakPolarHBondContact O-CB 3.38Å; E826-A830 PolarHBondContact O-N 2.91Å; V827-A830 PolarHBondContact O-N 3.34Å; C828-A830 VanDerWaalsContact C-N 3.33Å; C828-A830 PolarHBondContact O-N 3.09Å; A830-R834 PolarHBondContact O-N 2.89Å |
| 831 | V | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -69 | -48.8 | -178.9 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | F483 L755 I758 V759 I762 V827 C828 R834 G835 | F483-V831 HydrophobicContact CD1-CG2 4.19Å; F483-V831 HydrophobicContact CE1-CG2 4.08Å; L755-V831 HydrophobicContact CB-CG1 4.27Å; L755-V831 HydrophobicContact CD2-CG1 3.88Å; I758-V831 HydrophobicContact CB-CG1 4.09Å; I758-V831 HydrophobicContact CD1-CG1 4.47Å; I758-V831 HydrophobicContact CG2-CG1 3.97Å; I758-V831 HydrophobicContact CG2-CG2 3.76Å; V759-V831 HydrophobicContact CG2-CB 4.03Å; V759-V831 HydrophobicContact CG2-CG1 4.17Å; V759-V831 HydrophobicContact CG2-CG2 4.01Å; I762-V831 HydrophobicContact CD1-CG2 3.65Å; V827-V831 WeakPolarHBondContact O-CG2 3.29Å; V827-V831 PolarHBondContact O-N 2.9Å; V827-V831 VanDerWaalsContact O-N 3.15Å; C828-V831 PolarHBondContact O-N 3.11Å; C828-V831 VanDerWaalsContact O-N 3.17Å; V831-R834 PolarHBondContact O-N 3Å; V831-G835 PolarHBondContact O-N 3.04Å |
| 832 | S | 98.4 | Very high | 97.7 | Very high | 5 Ų | 5 | 22.2 Ų | 22.2 | 4% | 0.035 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.8 | -38.1 | -177.8 | 69.9 | 0 | 0 | 0 | 0 | 112.4 | E796 C828 G835 A836 H873 | E796-S832 VanDerWaalsContact OE1-CB 3.24Å; E796-S832 WeakPolarHBondContact OE1-CB 3.25Å; E796-S832 PolarHBondContact OE1-OG 3.2Å; E796-S832 PolarHBondContact OE2-OG 2.8Å; C828-S832 WeakPolarHBondContact O-CB 3.34Å; C828-S832 PolarHBondContact O-N 3.18Å; C828-S832 PolarHBondContact O-OG 2.92Å; S832-G835 PolarHBondContact O-N 3.3Å; S832-A836 PolarHBondContact O-N 3.41Å; S832-H873 VanDerWaalsContact CB-NE2 3.34Å; S832-H873 WeakPolarHBondContact CB-NE2 3.42Å; S832-H873 PolarHBondContact OG-CE1 2.94Å |
| 833 | R | 98.7 | Very high | 98.1 | Very high | 126 Ų | 126 | 18.9 Ų | 18.9 | 48% | 0.475 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -59.3 | -49.2 | 172.5 | 173 | 176.9 | -74.2 | -100.9 | 5.2 | 111.5 | G829 G835 A836 Q837 I879 | G829-R833 WeakPolarHBondContact O-CB 3.48Å; G829-R833 PolarHBondContact O-N 3.41Å; G829-R833 VanDerWaalsContact O-N 3.1Å; R833-G835 VanDerWaalsContact C-N 3.34Å; R833-G835 PolarHBondContact O-N 3.13Å; R833-A836 PolarHBondContact O-N 2.98Å; R833-Q837 HydrophobicContact CG-CG 4.46Å; R833-Q837 WeakPolarHBondContact O-CG 3.42Å; R833-Q837 PolarHBondContact O-N 2.99Å; R833-I879 HydrophobicContact CB-CD1 4.13Å; R833-I879 HydrophobicContact CG-CD1 4.15Å; R833-I879 HydrophobicContact CG-CG2 4.41Å |
| 834 | R | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 18 Ų | 18 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.7 | -46 | 178.1 | -172.1 | -168.1 | 66.2 | 169.8 | -1.5 | 110.8 | F483 M485 D731 A830 V831 A836 Q837 L838 | F483-R834 VanDerWaalsContact CD1-CZ 3.47Å; M485-R834 HydrophobicContact CG-CG 3.88Å; D731-R834 IonicContact OD1-CZ 3.43Å; D731-R834 IonicContact OD1-NH1 3.21Å; D731-R834 PolarHBondContact OD1-NH1 3.36Å; D731-R834 IonicContact OD1-NH2 2.76Å; D731-R834 PolarHBondContact OD1-NH2 3.06Å; D731-R834 IonicContact OD2-CZ 3.55Å; D731-R834 IonicContact OD2-NH1 3.79Å; D731-R834 PolarHBondContact OD2-NH1 3.23Å; D731-R834 IonicContact OD2-NH2 2.62Å; A830-R834 PolarHBondContact O-N 2.89Å; V831-R834 PolarHBondContact O-N 3Å; R834-A836 VanDerWaalsContact C-N 3.32Å; R834-A836 PolarHBondContact O-N 3.29Å; R834-Q837 PolarHBondContact O-N 3.35Å; R834-L838 HydrophobicContact CG-CD1 4.05Å; R834-L838 HydrophobicContact CG-CG 4.32Å; R834-L838 WeakPolarHBondContact O-CB 3.37Å; R834-L838 WeakPolarHBondContact O-CG 3.29Å; R834-L838 PolarHBondContact O-N 3.13Å |
| 835 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.5 | -42.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M749 V831 S832 R833 C839 | M749-G835 WeakPolarHBondContact O-CA 3.18Å; V831-G835 PolarHBondContact O-N 3.04Å; S832-G835 PolarHBondContact O-N 3.3Å; R833-G835 VanDerWaalsContact C-N 3.34Å; R833-G835 PolarHBondContact O-N 3.13Å; G835-C839 WeakPolarHBondContact O-CB 3.21Å; G835-C839 PolarHBondContact O-N 3.17Å |
| 836 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.6 | -42 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | S832 R833 R834 C839 G840 F876 I879 M880 | S832-A836 PolarHBondContact O-N 3.41Å; R833-A836 PolarHBondContact O-N 2.98Å; R834-A836 VanDerWaalsContact C-N 3.32Å; R834-A836 PolarHBondContact O-N 3.29Å; A836-C839 PolarHBondContact O-N 2.92Å; A836-G840 PolarHBondContact O-N 3.31Å; A836-F876 HydrophobicContact CB-CD1 4.28Å; A836-F876 HydrophobicContact CB-CD2 3.71Å; A836-F876 HydrophobicContact CB-CE1 4.41Å; A836-F876 HydrophobicContact CB-CE2 3.88Å; A836-F876 HydrophobicContact CB-CG 3.93Å; A836-F876 HydrophobicContact CB-CZ 4.22Å; A836-F876 WeakPolarHBondContact CB-O 3.49Å; A836-F876 VanDerWaalsContact N-CE2 3.34Å; A836-I879 HydrophobicContact CB-CB 3.9Å; A836-I879 HydrophobicContact CB-CG2 3.78Å; A836-M880 HydrophobicContact CB-CB 4.28Å; A836-M880 WeakPolarHBondContact O-CB 3.34Å |
| 837 | Q | 98.9 | Very high | 98.6 | Very high | 28 Ų | 28 | 10 Ų | 10 | 13% | 0.131 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -66.3 | -43.7 | 177.6 | -69.9 | 177.3 | -59.9 | 0 | 0 | 111.8 | L490 R833 R834 G840 A841 I879 T883 | L490-Q837 HydrophobicContact CD1-CB 4.07Å; L490-Q837 HydrophobicContact CD1-CG 4.33Å; L490-Q837 HydrophobicContact CD2-CB 3.8Å; R833-Q837 HydrophobicContact CG-CG 4.46Å; R833-Q837 WeakPolarHBondContact O-CG 3.42Å; R833-Q837 PolarHBondContact O-N 2.99Å; R834-Q837 PolarHBondContact O-N 3.35Å; Q837-G840 PolarHBondContact O-N 2.83Å; Q837-A841 PolarHBondContact O-N 2.58Å; Q837-I879 HydrophobicContact CG-CG2 3.8Å; Q837-T883 HydrophobicContact CB-CG2 4.42Å; Q837-T883 WeakPolarHBondContact O-CG2 3.32Å |
| 838 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.005 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -59.8 | -48.8 | 175.5 | -73.9 | 174.2 | 0 | 0 | 0 | 110.5 | M485 V493 Y746 M749 I750 R834 G840 A841 G842 | M485-L838 HydrophobicContact CE-CD2 3.93Å; V493-L838 HydrophobicContact CG1-CD2 4.12Å; V493-L838 HydrophobicContact CG2-CD2 4.15Å; Y746-L838 HydrophobicContact CE2-CB 4.04Å; Y746-L838 VanDerWaalsContact OH-C 3.3Å; Y746-L838 PolarHBondContact OH-O 2.83Å; M749-L838 HydrophobicContact CB-CD1 3.82Å; M749-L838 HydrophobicContact CE-CD1 4.39Å; M749-L838 HydrophobicContact SD-CD1 4.21Å; I750-L838 HydrophobicContact CD1-CB 4.07Å; I750-L838 HydrophobicContact CG1-CB 4.08Å; R834-L838 HydrophobicContact CG-CD1 4.05Å; R834-L838 HydrophobicContact CG-CG 4.32Å; R834-L838 WeakPolarHBondContact O-CB 3.37Å; R834-L838 WeakPolarHBondContact O-CG 3.29Å; R834-L838 PolarHBondContact O-N 3.13Å; L838-G840 VanDerWaalsContact C-N 3.28Å; L838-G840 PolarHBondContact O-N 3.36Å; L838-A841 WeakPolarHBondContact O-CB 3.49Å; L838-A841 PolarHBondContact O-N 3.31Å; L838-A841 VanDerWaalsContact O-N 3.17Å; L838-G842 PolarHBondContact O-N 3.4Å; L838-G842 VanDerWaalsContact O-N 3.13Å |
| 839 | C | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -56.3 | -43.2 | 174.5 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | I750 G835 A836 A841 G842 V843 F876 M880 | I750-C839 HydrophobicContact CD1-CB 4.21Å; I750-C839 HydrophobicContact CG2-CB 3.92Å; G835-C839 WeakPolarHBondContact O-CB 3.21Å; G835-C839 PolarHBondContact O-N 3.17Å; A836-C839 PolarHBondContact O-N 2.92Å; C839-A841 PolarHBondContact O-N 2.79Å; C839-G842 PolarHBondContact O-N 3.27Å; C839-V843 PolarHBondContact O-N 3.29Å; C839-F876 HydrophobicContact CB-CE1 4.48Å; C839-F876 HydrophobicContact CB-CZ 4.18Å; C839-M880 HydrophobicContact CB-CG 4.19Å |
| 840 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.8 | -39.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A836 Q837 L838 G842 V843 A844 V884 | A836-G840 PolarHBondContact O-N 3.31Å; Q837-G840 PolarHBondContact O-N 2.83Å; L838-G840 VanDerWaalsContact C-N 3.28Å; L838-G840 PolarHBondContact O-N 3.36Å; G840-G842 VanDerWaalsContact C-N 3.31Å; G840-G842 PolarHBondContact O-N 3.06Å; G840-V843 PolarHBondContact O-N 2.86Å; G840-A844 VanDerWaalsContact O-CB 3.25Å; G840-A844 WeakPolarHBondContact O-CB 3.43Å; G840-A844 PolarHBondContact O-N 2.92Å; G840-V884 VanDerWaalsContact O-CG2 3.32Å; G840-V884 WeakPolarHBondContact O-CG2 3.41Å |
| 841 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -63 | -37.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V493 K494 Q837 L838 C839 A844 A845 L887 | V493-A841 HydrophobicContact CB-CB 4.23Å; V493-A841 HydrophobicContact CG1-CB 3.89Å; K494-A841 HydrophobicContact CB-CB 4.39Å; Q837-A841 PolarHBondContact O-N 2.58Å; L838-A841 WeakPolarHBondContact O-CB 3.49Å; L838-A841 PolarHBondContact O-N 3.31Å; L838-A841 VanDerWaalsContact O-N 3.17Å; C839-A841 PolarHBondContact O-N 2.79Å; A841-A844 PolarHBondContact O-N 3.17Å; A841-A845 PolarHBondContact O-N 3.05Å; A841-A845 VanDerWaalsContact O-N 3.16Å; A841-L887 HydrophobicContact CB-CD1 3.79Å |
| 842 | G | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -62.5 | -51.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y746 L838 C839 G840 A844 A845 V846 | Y746-G842 WeakPolarHBondContact OH-CA 3.05Å; Y746-G842 PolarHBondContact OH-N 3.48Å; L838-G842 PolarHBondContact O-N 3.4Å; L838-G842 VanDerWaalsContact O-N 3.13Å; C839-G842 PolarHBondContact O-N 3.27Å; G840-G842 VanDerWaalsContact C-N 3.31Å; G840-G842 PolarHBondContact O-N 3.06Å; G842-A844 VanDerWaalsContact C-N 3.32Å; G842-A844 PolarHBondContact O-N 3.45Å; G842-A845 WeakPolarHBondContact O-CB 3.4Å; G842-A845 PolarHBondContact O-N 3.03Å; G842-V846 PolarHBondContact O-N 2.87Å |
| 843 | V | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.012 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.1 | -39.5 | 177.2 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | L681 W714 C839 G840 A845 V846 V847 V863 M880 V884 F895 | L681-V843 HydrophobicContact CD1-CG2 4.3Å; L681-V843 HydrophobicContact CD2-CG2 4.08Å; W714-V843 HydrophobicContact CH2-CG2 3.81Å; W714-V843 HydrophobicContact CZ3-CG2 4.19Å; C839-V843 PolarHBondContact O-N 3.29Å; G840-V843 PolarHBondContact O-N 2.86Å; V843-A845 VanDerWaalsContact C-N 3.26Å; V843-A845 PolarHBondContact O-N 2.88Å; V843-V846 WeakPolarHBondContact O-CB 3.32Å; V843-V846 PolarHBondContact O-N 3.34Å; V843-V846 VanDerWaalsContact O-N 3.09Å; V843-V847 HydrophobicContact CG1-CG1 4.29Å; V843-V847 WeakPolarHBondContact O-CG2 3.47Å; V843-V847 PolarHBondContact O-N 3.01Å; V843-V863 HydrophobicContact CG1-CG2 4.35Å; V843-M880 HydrophobicContact CG2-SD 4.43Å; V843-V884 HydrophobicContact CB-CG2 3.76Å; V843-V884 HydrophobicContact CG1-CG1 4.28Å; V843-V884 HydrophobicContact CG1-CG2 3.85Å; V843-F895 HydrophobicContact CG1-CE1 4.2Å; V843-F895 HydrophobicContact CG1-CZ 4.12Å |
| 844 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -58.7 | -37.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K494 G840 A841 G842 V847 D848 L887 A888 | K494-A844 HydrophobicContact CD-CB 4.04Å; K494-A844 HydrophobicContact CG-CB 4.26Å; G840-A844 VanDerWaalsContact O-CB 3.25Å; G840-A844 WeakPolarHBondContact O-CB 3.43Å; G840-A844 PolarHBondContact O-N 2.92Å; A841-A844 PolarHBondContact O-N 3.17Å; G842-A844 VanDerWaalsContact C-N 3.32Å; G842-A844 PolarHBondContact O-N 3.45Å; A844-V847 WeakPolarHBondContact O-CG2 3.4Å; A844-D848 WeakPolarHBondContact O-CB 3.48Å; A844-D848 PolarHBondContact O-N 2.81Å; A844-L887 HydrophobicContact CB-CB 3.74Å; A844-L887 HydrophobicContact CB-CD1 4.4Å; A844-A888 HydrophobicContact CB-CB 4.1Å |
| 845 | A | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.008 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.3 | -39.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K494 M497 R498 M501 A841 G842 V843 K849 | K494-A845 HydrophobicContact CG-CB 3.87Å; K494-A845 WeakPolarHBondContact O-CB 3.43Å; M497-A845 HydrophobicContact CB-CB 4Å; M497-A845 HydrophobicContact CG-CB 3.82Å; R498-A845 HydrophobicContact CB-CB 4.4Å; M501-A845 HydrophobicContact SD-CB 4.37Å; A841-A845 PolarHBondContact O-N 3.05Å; A841-A845 VanDerWaalsContact O-N 3.16Å; G842-A845 WeakPolarHBondContact O-CB 3.4Å; G842-A845 PolarHBondContact O-N 3.03Å; V843-A845 VanDerWaalsContact C-N 3.26Å; V843-A845 PolarHBondContact O-N 2.88Å; A845-K849 VanDerWaalsContact O-CB 3.28Å; A845-K849 WeakPolarHBondContact O-CB 3.26Å; A845-K849 PolarHBondContact O-N 3.03Å |
| 846 | V | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.5 | -51.1 | 178.8 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | M501 I679 Y691 M712 G842 V843 D848 K849 I850 | M501-V846 HydrophobicContact CE-CB 4.48Å; M501-V846 HydrophobicContact CE-CG2 3.91Å; M501-V846 HydrophobicContact SD-CG2 4.35Å; I679-V846 HydrophobicContact CD1-CG1 3.83Å; I679-V846 HydrophobicContact CG1-CG1 4.12Å; I679-V846 HydrophobicContact CG2-CG1 4.35Å; Y691-V846 HydrophobicContact CD1-CG1 3.79Å; Y691-V846 HydrophobicContact CD2-CG1 4.32Å; Y691-V846 HydrophobicContact CG-CG1 3.68Å; M712-V846 HydrophobicContact CE-CG2 3.77Å; M712-V846 HydrophobicContact SD-CG2 3.55Å; M712-V846 VanDerWaalsContact SD-CG2 3.55Å; G842-V846 PolarHBondContact O-N 2.87Å; V843-V846 WeakPolarHBondContact O-CB 3.32Å; V843-V846 PolarHBondContact O-N 3.34Å; V843-V846 VanDerWaalsContact O-N 3.09Å; V846-D848 PolarHBondContact O-N 2.92Å; V846-K849 WeakPolarHBondContact O-CB 3.4Å; V846-K849 PolarHBondContact O-N 3.18Å; V846-I850 HydrophobicContact CG1-CD1 4.07Å; V846-I850 WeakPolarHBondContact O-CG1 3.45Å; V846-I850 PolarHBondContact O-N 3.42Å |
| 847 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.2 | -40 | -177.1 | -62.8 | 0 | 0 | 0 | 0 | 111.9 | I679 V843 A844 I850 R851 L859 I861 A888 C891 V893 | I679-V847 HydrophobicContact CD1-CG1 3.42Å; I679-V847 VanDerWaalsContact CD1-CG1 3.42Å; V843-V847 HydrophobicContact CG1-CG1 4.29Å; V843-V847 WeakPolarHBondContact O-CG2 3.47Å; V843-V847 PolarHBondContact O-N 3.01Å; A844-V847 WeakPolarHBondContact O-CG2 3.4Å; V847-I850 PolarHBondContact O-N 3.37Å; V847-R851 WeakPolarHBondContact O-CB 3.44Å; V847-R851 PolarHBondContact O-N 3.29Å; V847-L859 WeakPolarHBondContact O-CD2 3.41Å; V847-I861 HydrophobicContact CB-CG2 4.42Å; V847-I861 HydrophobicContact CG1-CG2 3.96Å; V847-A888 HydrophobicContact CG2-CB 3.68Å; V847-C891 HydrophobicContact CB-CB 4.13Å; V847-C891 HydrophobicContact CG2-CB 3.91Å; V847-V893 HydrophobicContact CB-CG2 4.2Å; V847-V893 HydrophobicContact CG1-CG1 4.31Å; V847-V893 HydrophobicContact CG1-CG2 3.82Å; V847-V893 HydrophobicContact CG2-CG2 4.15Å |
| 848 | D | 98.5 | Very high | 98.4 | Very high | 11 Ų | 11 | 28.9 Ų | 28.9 | 6% | 0.059 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.4 | -36.5 | 175.7 | -97.8 | -32.8 | 0 | 0 | 0 | 112 | K494 A844 V846 I850 R851 E852 | K494-D848 WeakPolarHBondContact CE-OD2 3.32Å; K494-D848 IonicContact NZ-OD2 3.78Å; K494-D848 PolarHBondContact NZ-OD2 2.95Å; A844-D848 WeakPolarHBondContact O-CB 3.48Å; A844-D848 PolarHBondContact O-N 2.81Å; V846-D848 PolarHBondContact O-N 2.92Å; D848-I850 VanDerWaalsContact C-N 3.35Å; D848-I850 PolarHBondContact O-N 3.25Å; D848-R851 PolarHBondContact O-N 3.48Å; D848-R851 IonicContact OD1-CZ 2.71Å; D848-R851 VanDerWaalsContact OD1-CZ 3.29Å; D848-R851 IonicContact OD1-NE 2.71Å; D848-R851 PolarHBondContact OD1-NE 3.25Å; D848-R851 IonicContact OD1-NH2 3.47Å; D848-R851 PolarHBondContact OD1-NH2 2.84Å; D848-E852 WeakPolarHBondContact O-CB 3.34Å; D848-E852 VanDerWaalsContact O-CG 3.22Å; D848-E852 WeakPolarHBondContact O-CG 3.23Å; D848-E852 PolarHBondContact O-N 2.77Å |
| 849 | K | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.9 | -47.7 | 172.1 | 176.3 | 171.4 | -156.9 | -31.7 | 0 | 111.3 | R498 M501 Y691 E693 A845 V846 R851 E852 N853 | R498-K849 VanDerWaalsContact CZ-CB 3.49Å; M501-K849 HydrophobicContact CE-CB 4.41Å; M501-K849 HydrophobicContact CE-CD 3.41Å; M501-K849 VanDerWaalsContact CE-CD 3.41Å; M501-K849 HydrophobicContact CE-CG 4.48Å; M501-K849 HydrophobicContact SD-CD 4.29Å; Y691-K849 HydrophobicContact CE2-CD 4.4Å; Y691-K849 WeakPolarHBondContact OH-CD 3.49Å; Y691-K849 WeakPolarHBondContact OH-CE 2.98Å; E693-K849 IonicContact OE1-NZ 2.69Å; E693-K849 WeakPolarHBondContact OE2-CE 3.34Å; E693-K849 IonicContact OE2-NZ 3.8Å; E693-K849 PolarHBondContact OE2-NZ 3.09Å; A845-K849 VanDerWaalsContact O-CB 3.28Å; A845-K849 WeakPolarHBondContact O-CB 3.26Å; A845-K849 PolarHBondContact O-N 3.03Å; V846-K849 WeakPolarHBondContact O-CB 3.4Å; V846-K849 PolarHBondContact O-N 3.18Å; K849-R851 VanDerWaalsContact C-N 3.34Å; K849-R851 PolarHBondContact O-N 3.07Å; K849-E852 PolarHBondContact O-N 2.65Å; K849-N853 PolarHBondContact NZ-ND2 3.13Å; K849-N853 VanDerWaalsContact NZ-ND2 3.14Å; K849-N853 PolarHBondContact NZ-OD1 3.38Å; K849-N853 VanDerWaalsContact NZ-OD1 3.13Å; K849-N853 VanDerWaalsContact O-CB 3.27Å; K849-N853 WeakPolarHBondContact O-CB 3.42Å; K849-N853 PolarHBondContact O-N 3.11Å; K849-N853 PolarHBondContact O-ND2 2.63Å; K849-N853 PolarHBondContact O-OD1 3.42Å |
| 850 | I | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.3 | -44.4 | 179.4 | -65.7 | 168.3 | 0 | 0 | 0 | 110.4 | I679 Y691 V846 V847 D848 E852 N853 R854 L859 I861 | I679-I850 HydrophobicContact CD1-CD1 3.84Å; I679-I850 HydrophobicContact CG1-CD1 3.8Å; Y691-I850 HydrophobicContact CD2-CD1 3.83Å; Y691-I850 HydrophobicContact CD2-CG1 3.75Å; Y691-I850 HydrophobicContact CE2-CG1 4.29Å; Y691-I850 HydrophobicContact CG-CD1 4.25Å; V846-I850 HydrophobicContact CG1-CD1 4.07Å; V846-I850 WeakPolarHBondContact O-CG1 3.45Å; V846-I850 PolarHBondContact O-N 3.42Å; V847-I850 PolarHBondContact O-N 3.37Å; D848-I850 VanDerWaalsContact C-N 3.35Å; D848-I850 PolarHBondContact O-N 3.25Å; I850-E852 PolarHBondContact O-N 3.27Å; I850-N853 PolarHBondContact O-N 3.36Å; I850-R854 VanDerWaalsContact CG2-CZ 3.42Å; I850-R854 WeakPolarHBondContact O-CG 3.35Å; I850-R854 PolarHBondContact O-N 3.26Å; I850-L859 HydrophobicContact CB-CD2 4.05Å; I850-L859 HydrophobicContact CG2-CD1 4.46Å; I850-L859 HydrophobicContact CG2-CD2 3.88Å; I850-I861 HydrophobicContact CD1-CD1 3.6Å; I850-I861 HydrophobicContact CG2-CD1 4.1Å |
| 851 | R | 98.6 | Very high | 98.4 | Very high | 8 Ų | 8 | 35 Ų | 35 | 3% | 0.03 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.9 | -48.4 | 176.8 | -177.1 | -171.6 | 58.4 | 63.3 | 10.2 | 111.3 | V847 D848 K849 R854 G855 L856 L859 | V847-R851 WeakPolarHBondContact O-CB 3.44Å; V847-R851 PolarHBondContact O-N 3.29Å; D848-R851 PolarHBondContact O-N 3.48Å; D848-R851 IonicContact OD1-CZ 2.71Å; D848-R851 VanDerWaalsContact OD1-CZ 3.29Å; D848-R851 IonicContact OD1-NE 2.71Å; D848-R851 PolarHBondContact OD1-NE 3.25Å; D848-R851 IonicContact OD1-NH2 3.47Å; D848-R851 PolarHBondContact OD1-NH2 2.84Å; K849-R851 VanDerWaalsContact C-N 3.34Å; K849-R851 PolarHBondContact O-N 3.07Å; R851-R854 PolarHBondContact O-N 2.86Å; R851-G855 PolarHBondContact O-N 2.78Å; R851-L856 HydrophobicContact CG-CB 4Å; R851-L856 WeakPolarHBondContact CG-O 3.46Å; R851-L856 PolarHBondContact NH1-O 3.23Å; R851-L856 VanDerWaalsContact NH1-O 3.07Å; R851-L856 PolarHBondContact O-N 2.84Å; R851-L859 HydrophobicContact CB-CB 3.79Å; R851-L859 HydrophobicContact CB-CD2 3.99Å; R851-L859 HydrophobicContact CB-CG 4.48Å; R851-L859 HydrophobicContact CG-CB 3.86Å |
| 852 | E | 98.3 | Very high | 98.3 | Very high | 85 Ų | 85 | 35.2 Ų | 35.2 | 40% | 0.397 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.3 | -45 | 179.5 | -73.5 | 164.5 | -173.6 | 0 | 0 | 112.7 | R498 D848 K849 I850 R854 G855 | R498-E852 IonicContact CZ-OE2 3.69Å; R498-E852 IonicContact NE-OE2 2.65Å; R498-E852 PolarHBondContact NE-OE2 2.66Å; R498-E852 IonicContact NH2-OE2 3.86Å; R498-E852 PolarHBondContact NH2-OE2 3.16Å; D848-E852 WeakPolarHBondContact O-CB 3.34Å; D848-E852 VanDerWaalsContact O-CG 3.22Å; D848-E852 WeakPolarHBondContact O-CG 3.23Å; D848-E852 PolarHBondContact O-N 2.77Å; K849-E852 PolarHBondContact O-N 2.65Å; I850-E852 PolarHBondContact O-N 3.27Å; E852-R854 PolarHBondContact O-N 3.42Å; E852-R854 VanDerWaalsContact O-N 3.16Å; E852-G855 PolarHBondContact O-N 2.92Å |
| 853 | N | 98.1 | Very high | 98.3 | Very high | 25 Ų | 25 | 35.2 Ų | 35.2 | 13% | 0.134 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.3 | -35.5 | 176.8 | -77.8 | -12.7 | 0 | 0 | 0 | 111.7 | E693 E694 R696 N697 K849 I850 | E693-N853 PolarHBondContact OE1-ND2 2.89Å; E693-N853 PolarHBondContact OE2-ND2 3.01Å; E694-N853 HydrophobicContact CG-CB 4.23Å; R696-N853 PolarHBondContact NH2-O 2.66Å; N697-N853 PolarHBondContact ND2-OD1 3.46Å; K849-N853 PolarHBondContact NZ-ND2 3.13Å; K849-N853 VanDerWaalsContact NZ-ND2 3.14Å; K849-N853 PolarHBondContact NZ-OD1 3.38Å; K849-N853 VanDerWaalsContact NZ-OD1 3.13Å; K849-N853 VanDerWaalsContact O-CB 3.27Å; K849-N853 WeakPolarHBondContact O-CB 3.42Å; K849-N853 PolarHBondContact O-N 3.11Å; K849-N853 PolarHBondContact O-ND2 2.63Å; K849-N853 PolarHBondContact O-OD1 3.42Å; I850-N853 PolarHBondContact O-N 3.36Å |
| 854 | R | 97.9 | Very high | 98.3 | Very high | 71 Ų | 71 | 35.1 Ų | 35.1 | 27% | 0.268 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -1.1 | -179.8 | -64.6 | 175.5 | -175.1 | 175.7 | 5.3 | 113.7 | E678 E694 I850 R851 E852 L856 | E678-R854 IonicContact OE1-CZ 2.95Å; E678-R854 IonicContact OE1-NH1 3.89Å; E678-R854 IonicContact OE1-NH2 3.51Å; E678-R854 PolarHBondContact OE1-NH2 3.18Å; E678-R854 IonicContact OE2-CZ 3.81Å; E678-R854 IonicContact OE2-NH1 2.69Å; E678-R854 PolarHBondContact OE2-NH1 2.63Å; E678-R854 IonicContact OE2-NH2 2.75Å; E678-R854 PolarHBondContact OE2-NH2 3.26Å; E694-R854 IonicContact OE1-NE 2.66Å; I850-R854 VanDerWaalsContact CG2-CZ 3.42Å; I850-R854 WeakPolarHBondContact O-CG 3.35Å; I850-R854 PolarHBondContact O-N 3.26Å; R851-R854 PolarHBondContact O-N 2.86Å; E852-R854 PolarHBondContact O-N 3.42Å; E852-R854 VanDerWaalsContact O-N 3.16Å; R854-L856 VanDerWaalsContact C-N 3.27Å; R854-L856 HydrophobicContact CB-CD1 3.78Å; R854-L856 HydrophobicContact CB-CG 3.71Å; R854-L856 PolarHBondContact O-N 3.16Å |
| 855 | G | 97.7 | Very high | 98.2 | Very high | 67 Ų | 67 | 35.1 Ų | 35.1 | 69% | 0.691 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 31.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R851 E852 | R851-G855 PolarHBondContact O-N 2.78Å; E852-G855 PolarHBondContact O-N 2.92Å |
| 856 | L | 97.9 | Very high | 97.9 | Very high | 69 Ų | 69 | 36.1 Ų | 36.1 | 36% | 0.361 | 20% | 0.195 | S | C | . | . | trans | -94.2 | 140.3 | -175.9 | -60.9 | 174.3 | 0 | 0 | 0 | 111.8 | R851 R854 L859 | R851-L856 HydrophobicContact CG-CB 4Å; R851-L856 WeakPolarHBondContact CG-O 3.46Å; R851-L856 PolarHBondContact NH1-O 3.23Å; R851-L856 VanDerWaalsContact NH1-O 3.07Å; R851-L856 PolarHBondContact O-N 2.84Å; R854-L856 VanDerWaalsContact C-N 3.27Å; R854-L856 HydrophobicContact CB-CD1 3.78Å; R854-L856 HydrophobicContact CB-CG 3.71Å; R854-L856 PolarHBondContact O-N 3.16Å; L856-L859 HydrophobicContact CD1-CD1 3.96Å | ||
| 857 | D | 96.8 | Very high | 97.6 | Very high | 125 Ų | 125 | 36.5 Ų | 36.5 | 67% | 0.668 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -72.8 | -39.2 | 169.2 | -72.1 | -35.3 | 0 | 0 | 0 | 111.5 | R890 | D857-R890 WeakPolarHBondContact O-CD 3.15Š|
| 858 | H | 97.8 | Very high | 97.2 | Very high | 140 Ų | 140 | 39.7 Ų | 39.7 | 65% | 0.648 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -131.8 | 141.9 | 177.3 | -68.3 | -76.9 | 0 | 0 | 0 | 111.1 | R890 | H858-R890 VanDerWaalsContact CA-O 3.3Å; H858-R890 WeakPolarHBondContact CA-O 3.49Å |
| 859 | L | 98.3 | Very high | 97 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.8 | 177.3 | 175.5 | 71 | 0 | 0 | 0 | 110.4 | V847 I850 R851 L856 I861 R890 C891 C892 | V847-L859 WeakPolarHBondContact O-CD2 3.41Å; I850-L859 HydrophobicContact CB-CD2 4.05Å; I850-L859 HydrophobicContact CG2-CD1 4.46Å; I850-L859 HydrophobicContact CG2-CD2 3.88Å; R851-L859 HydrophobicContact CB-CB 3.79Å; R851-L859 HydrophobicContact CB-CD2 3.99Å; R851-L859 HydrophobicContact CB-CG 4.48Å; R851-L859 HydrophobicContact CG-CB 3.86Å; L856-L859 HydrophobicContact CD1-CD1 3.96Å; L859-I861 HydrophobicContact CD1-CB 4.44Å; L859-I861 HydrophobicContact CD2-CB 4.03Å; L859-I861 HydrophobicContact CD2-CD1 4Å; L859-I861 HydrophobicContact CD2-CG2 3.89Å; L859-I861 HydrophobicContact CG-CB 4Å; L859-I861 HydrophobicContact CG-CG2 4.13Å; L859-R890 PolarHBondContact N-O 2.69Å; L859-R890 VanDerWaalsContact N-O 3.13Å; L859-C891 CarbonylContact O-C 3.51Å; L859-C891 WeakPolarHBondContact O-CA 3.1Å; L859-C892 PolarHBondContact O-N 3.45Å |
| 860 | N | 98.3 | Very high | 96.9 | Very high | 121 Ų | 121 | 39.9 Ų | 39.9 | 65% | 0.647 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 123.5 | 164.4 | -64.2 | -30.4 | 0 | 0 | 0 | 107.8 | C892 | N860-C892 WeakPolarHBondContact CA-O 3.34Å; N860-C892 WeakPolarHBondContact OD1-CB 3.32Å |
| 861 | I | 98.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 148.5 | -174.8 | -167.6 | 162.3 | 0 | 0 | 0 | 110.9 | E678 I679 V847 I850 L859 C892 V893 T894 | E678-I861 HydrophobicContact CB-CD1 4.07Å; E678-I861 HydrophobicContact CB-CG1 4.4Å; I679-I861 HydrophobicContact CD1-CD1 3.78Å; I679-I861 HydrophobicContact CD1-CG1 4.31Å; I679-I861 HydrophobicContact CG1-CD1 3.96Å; V847-I861 HydrophobicContact CB-CG2 4.42Å; V847-I861 HydrophobicContact CG1-CG2 3.96Å; I850-I861 HydrophobicContact CD1-CD1 3.6Å; I850-I861 HydrophobicContact CG2-CD1 4.1Å; L859-I861 HydrophobicContact CD1-CB 4.44Å; L859-I861 HydrophobicContact CD2-CB 4.03Å; L859-I861 HydrophobicContact CD2-CD1 4Å; L859-I861 HydrophobicContact CD2-CG2 3.89Å; L859-I861 HydrophobicContact CG-CB 4Å; L859-I861 HydrophobicContact CG-CG2 4.13Å; I861-C892 PolarHBondContact N-O 3.44Å; I861-V893 HydrophobicContact CG2-CG1 4.38Å; I861-V893 HydrophobicContact CG2-CG2 4.11Å; I861-V893 WeakPolarHBondContact O-CA 3.47Å; I861-T894 PolarHBondContact O-N 2.7Å |
| 862 | T | 98.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 142.2 | 174.6 | -62.6 | 0 | 0 | 0 | 0 | 110.8 | E674 T676 C677 E678 T894 L896 | E674-T862 HydrophobicContact CG-CG2 3.92Å; E674-T862 WeakPolarHBondContact CG-OG1 3.49Å; T676-T862 PolarHBondContact O-N 3.15Å; T676-T862 WeakPolarHBondContact OG1-CB 3.16Å; T676-T862 PolarHBondContact OG1-OG1 3.05Å; C677-T862 WeakPolarHBondContact CA-O 3.42Å; C677-T862 HydrophobicContact CB-CG2 4.01Å; E678-T862 PolarHBondContact N-O 2.83Å; T862-T894 CarbonylContact C-O 3.43Å; T862-T894 VanDerWaalsContact CA-O 3.29Å; T862-T894 WeakPolarHBondContact CA-O 3.28Å; T862-T894 HydrophobicContact CG2-CG2 4.44Å; T862-L896 HydrophobicContact CG2-CB 3.97Å |
| 863 | V | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 118.5 | 171.7 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | I679 L681 V843 V865 V893 T894 F895 L896 | I679-V863 HydrophobicContact CB-CB 4.33Å; I679-V863 HydrophobicContact CB-CG1 4.17Å; I679-V863 HydrophobicContact CB-CG2 3.97Å; I679-V863 HydrophobicContact CD1-CG2 3.98Å; I679-V863 HydrophobicContact CG2-CB 4.48Å; I679-V863 HydrophobicContact CG2-CG1 3.86Å; I679-V863 HydrophobicContact CG2-CG2 4.13Å; I679-V863 WeakPolarHBondContact O-CA 3.2Å; L681-V863 HydrophobicContact CB-CG1 3.73Å; L681-V863 HydrophobicContact CD2-CG1 4.48Å; V843-V863 HydrophobicContact CG1-CG2 4.35Å; V863-V865 HydrophobicContact CB-CG2 4.49Å; V863-V865 HydrophobicContact CG1-CG2 3.92Å; V863-V893 HydrophobicContact CG2-CG1 3.55Å; V863-T894 PolarHBondContact N-O 3.41Å; V863-F895 HydrophobicContact CB-CD1 3.63Å; V863-F895 HydrophobicContact CB-CE1 3.81Å; V863-F895 HydrophobicContact CB-CG 4.4Å; V863-F895 HydrophobicContact CG1-CD1 3.95Å; V863-F895 HydrophobicContact CG1-CE1 4.01Å; V863-F895 HydrophobicContact CG2-CD1 4.1Å; V863-F895 HydrophobicContact CG2-CE1 3.78Å; V863-F895 HydrophobicContact CG2-CZ 4.29Å; V863-F895 WeakPolarHBondContact O-CA 3.35Å; V863-L896 PolarHBondContact O-N 3.41Å |
| 864 | G | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 125.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | C670 C677 I679 G680 L681 L896 | C670-G864 WeakPolarHBondContact SG-CA 3.31Å; C677-G864 PolarHBondContact SG-N 2.78Å; I679-G864 PolarHBondContact O-N 3.44Å; G680-G864 CarbonylContact C-O 3.6Å; G680-G864 WeakPolarHBondContact CA-O 3.29Å; L681-G864 PolarHBondContact N-O 3.33Å; G864-L896 CarbonylContact C-O 3.52Å; G864-L896 WeakPolarHBondContact CA-O 3.42Å |
| 865 | V | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 139.2 | -175.1 | -165.5 | 0 | 0 | 0 | 0 | 111.5 | L681 V863 Y870 F895 L896 S898 | L681-V865 HydrophobicContact CB-CG1 4.22Å; L681-V865 HydrophobicContact CB-CG2 4.21Å; L681-V865 HydrophobicContact CD2-CG1 3.98Å; L681-V865 HydrophobicContact CD2-CG2 4.13Å; L681-V865 HydrophobicContact CG-CG1 4.07Å; L681-V865 CarbonylContact O-C 3.55Å; L681-V865 VanDerWaalsContact O-CA 3.29Å; L681-V865 WeakPolarHBondContact O-CA 3.43Å; V863-V865 HydrophobicContact CB-CG2 4.49Å; V863-V865 HydrophobicContact CG1-CG2 3.92Å; V865-Y870 HydrophobicContact CB-CD1 4.22Å; V865-Y870 HydrophobicContact CB-CE1 4Å; V865-Y870 HydrophobicContact CG1-CD1 3.64Å; V865-Y870 HydrophobicContact CG1-CD2 3.69Å; V865-Y870 HydrophobicContact CG1-CE1 3.82Å; V865-Y870 HydrophobicContact CG1-CE2 3.85Å; V865-Y870 HydrophobicContact CG1-CG 3.56Å; V865-Y870 HydrophobicContact CG2-CE1 4.41Å; V865-Y870 HydrophobicContact CG2-CE2 4.44Å; V865-F895 HydrophobicContact CG2-CB 4.26Å; V865-F895 HydrophobicContact CG2-CD1 3.72Å; V865-F895 HydrophobicContact CG2-CG 4.49Å; V865-L896 PolarHBondContact N-O 2.94Å; V865-S898 PolarHBondContact O-N 3.3Å |
| 866 | D | 93.6 | Very high | 96.3 | Very high | 23 Ų | 23 | 39.9 Ų | 39.9 | 12% | 0.123 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 168.9 | 165.5 | -161.7 | 1.2 | 0 | 0 | 0 | 110.6 | T666 L681 I682 A683 K871 G901 | T666-D866 HydrophobicContact CG2-CB 3.91Å; L681-D866 PolarHBondContact O-N 2.95Å; I682-D866 WeakPolarHBondContact CA-O 3.34Å; I682-D866 HydrophobicContact CD1-CB 3.78Å; A683-D866 PolarHBondContact N-O 2.87Å; D866-K871 WeakPolarHBondContact OD1-CE 3.49Å; D866-K871 IonicContact OD1-NZ 3.69Å; D866-K871 PolarHBondContact OD1-NZ 2.64Å; D866-K871 IonicContact OD2-NZ 3.68Å; D866-G901 VanDerWaalsContact OD2-CA 3.31Å; D866-G901 WeakPolarHBondContact OD2-CA 3.4Å |
| 867 | G | 91.4 | Very high | 96.3 | Very high | 9 Ų | 9 | 38 Ų | 38 | 9% | 0.093 | 20% | 0.201 | C | C | . | . | trans | 125.6 | 141.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A683 L869 Y870 K871 | A683-G867 CarbonylContact O-C 3.52Å; A683-G867 VanDerWaalsContact O-C 3.27Å; A683-G867 VanDerWaalsContact O-CA 3.28Å; A683-G867 WeakPolarHBondContact O-CA 3.43Å; G867-L869 VanDerWaalsContact C-N 3.33Å; G867-L869 PolarHBondContact O-N 2.68Å; G867-Y870 PolarHBondContact O-N 3.08Å; G867-K871 WeakPolarHBondContact O-CB 3.45Å; G867-K871 WeakPolarHBondContact O-CG 3.38Å; G867-K871 PolarHBondContact O-N 3.22Å | ||
| 868 | T | 91 | Very high | 96.4 | Very high | 67 Ų | 67 | 38.5 Ų | 38.5 | 41% | 0.411 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.2 | -36.8 | -175.5 | 49.1 | 0 | 0 | 0 | 0 | 113.1 | K871 L872 | T868-K871 PolarHBondContact O-N 3.48Å; T868-L872 VanDerWaalsContact O-CB 3.25Å; T868-L872 WeakPolarHBondContact O-CB 3.46Å; T868-L872 VanDerWaalsContact O-CG 3.3Å; T868-L872 WeakPolarHBondContact O-CG 3.5Å; T868-L872 PolarHBondContact O-N 3.23Å |
| 869 | L | 94.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.5 | -46.3 | 177 | 176.1 | 67.6 | 0 | 0 | 0 | 110.8 | A683 I750 L755 T789 G867 K871 H873 F876 | A683-L869 WeakPolarHBondContact O-CB 3.37Å; A683-L869 PolarHBondContact O-N 2.64Å; I750-L869 WeakPolarHBondContact O-CD2 3.31Å; L755-L869 HydrophobicContact CD1-CD1 4.02Å; L755-L869 HydrophobicContact CD1-CD2 3.75Å; T789-L869 HydrophobicContact CG2-CB 3.94Å; T789-L869 HydrophobicContact CG2-CD1 3.91Å; G867-L869 VanDerWaalsContact C-N 3.33Å; G867-L869 PolarHBondContact O-N 2.68Å; L869-K871 VanDerWaalsContact C-N 3.33Å; L869-K871 PolarHBondContact O-N 2.97Å; L869-H873 HydrophobicContact CD1-CB 3.99Å; L869-H873 WeakPolarHBondContact O-CB 3.43Å; L869-H873 PolarHBondContact O-N 3.39Å; L869-H873 VanDerWaalsContact O-N 3.07Å; L869-F876 HydrophobicContact CD1-CD2 4.32Å; L869-F876 HydrophobicContact CD2-CD2 3.93Å; L869-F876 HydrophobicContact CD2-CE2 3.61Å; L869-F876 HydrophobicContact CD2-CZ 3.94Å; L869-F876 HydrophobicContact CG-CD2 4.03Å; L869-F876 HydrophobicContact CG-CE2 4.21Å; L869-F876 HydrophobicContact CG-CG 4.25Å |
| 870 | Y | 95.8 | Very high | 96.4 | Very high | 15 Ų | 15 | 32.1 Ų | 32.1 | 6% | 0.059 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.6 | -40.5 | 176.8 | -171 | -90.7 | 0 | 0 | 0 | 112.9 | A683 V865 G867 F876 S877 M880 K881 F895 L897 | A683-Y870 PolarHBondContact O-N 3.2Å; V865-Y870 HydrophobicContact CB-CD1 4.22Å; V865-Y870 HydrophobicContact CB-CE1 4Å; V865-Y870 HydrophobicContact CG1-CD1 3.64Å; V865-Y870 HydrophobicContact CG1-CD2 3.69Å; V865-Y870 HydrophobicContact CG1-CE1 3.82Å; V865-Y870 HydrophobicContact CG1-CE2 3.85Å; V865-Y870 HydrophobicContact CG1-CG 3.56Å; V865-Y870 HydrophobicContact CG2-CE1 4.41Å; V865-Y870 HydrophobicContact CG2-CE2 4.44Å; G867-Y870 PolarHBondContact O-N 3.08Å; Y870-F876 HydrophobicContact CD2-CD1 4.35Å; Y870-S877 VanDerWaalsContact CE2-CB 3.44Å; Y870-M880 HydrophobicContact CD2-CE 4.36Å; Y870-M880 HydrophobicContact CE2-CE 3.53Å; Y870-K881 WeakPolarHBondContact OH-CE 3.34Å; Y870-F895 WeakPolarHBondContact OH-CB 3.29Å; Y870-L897 HydrophobicContact CD1-CD1 3.77Å; Y870-L897 HydrophobicContact CE1-CD1 3.99Å |
| 871 | K | 93.1 | Very high | 96.4 | Very high | 81 Ų | 81 | 30.4 Ų | 30.4 | 35% | 0.352 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -71.4 | -46.6 | -177.7 | -75.8 | 177.2 | 169.9 | 175.2 | 0 | 113 | D866 G867 T868 L869 L897 S898 | D866-K871 WeakPolarHBondContact OD1-CE 3.49Å; D866-K871 IonicContact OD1-NZ 3.69Å; D866-K871 PolarHBondContact OD1-NZ 2.64Å; D866-K871 IonicContact OD2-NZ 3.68Å; G867-K871 WeakPolarHBondContact O-CB 3.45Å; G867-K871 WeakPolarHBondContact O-CG 3.38Å; G867-K871 PolarHBondContact O-N 3.22Å; T868-K871 PolarHBondContact O-N 3.48Å; L869-K871 VanDerWaalsContact C-N 3.33Å; L869-K871 PolarHBondContact O-N 2.97Å; K871-L897 HydrophobicContact CD-CD1 4.3Å; K871-L897 HydrophobicContact CG-CD1 3.65Å; K871-L897 HydrophobicContact CG-CD2 4.08Å; K871-L897 HydrophobicContact CG-CG 4.38Å; K871-S898 WeakPolarHBondContact CE-O 3.31Å; K871-S898 PolarHBondContact NZ-O 3Å |
| 872 | L | 93.3 | Very high | 96.4 | Very high | 99 Ų | 99 | 34.6 Ų | 34.6 | 52% | 0.518 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -93.3 | -29.8 | -168.8 | -60.5 | 177.8 | 0 | 0 | 0 | 113.3 | T868 | T868-L872 VanDerWaalsContact O-CB 3.25Å; T868-L872 WeakPolarHBondContact O-CB 3.46Å; T868-L872 VanDerWaalsContact O-CG 3.3Å; T868-L872 WeakPolarHBondContact O-CG 3.5Å; T868-L872 PolarHBondContact O-N 3.23Å |
| 873 | H | 97 | Very high | 96.5 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.028 | 17% | 0.173 | C | C | . | . | trans | -74.1 | 127.7 | -171.3 | -163.1 | -80 | 0 | 0 | 0 | 111.6 | S793 E796 S832 L869 H875 F876 | S793-H873 WeakPolarHBondContact OG-CA 3.34Å; E796-H873 IonicContact OE1-CE1 3.75Å; E796-H873 IonicContact OE1-NE2 3.87Å; E796-H873 PolarHBondContact OE1-NE2 2.9Å; E796-H873 VanDerWaalsContact OE1-NE2 3.15Å; E796-H873 IonicContact OE2-CE1 2.91Å; E796-H873 PolarHBondContact OE2-CE1 3.41Å; E796-H873 VanDerWaalsContact OE2-CE1 3.27Å; E796-H873 IonicContact OE2-NE2 2.68Å; S832-H873 VanDerWaalsContact CB-NE2 3.34Å; S832-H873 WeakPolarHBondContact CB-NE2 3.42Å; S832-H873 PolarHBondContact OG-CE1 2.94Å; L869-H873 HydrophobicContact CD1-CB 3.99Å; L869-H873 WeakPolarHBondContact O-CB 3.43Å; L869-H873 PolarHBondContact O-N 3.39Å; L869-H873 VanDerWaalsContact O-N 3.07Å; H873-H875 VanDerWaalsContact C-N 3.26Å; H873-H875 PolarHBondContact ND1-N 3.27Å; H873-H875 PolarHBondContact O-N 2.9Å; H873-F876 HydrophobicContact CB-CB 3.72Å; H873-F876 PolarHBondContact ND1-N 2.82Å | ||
| 874 | P | 96.7 | Very high | 96.5 | Very high | 47 Ų | 47 | 35 Ų | 35 | 31% | 0.305 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -31.8 | -171.9 | 22.4 | -33.1 | 0 | 0 | 0 | 113.4 | S793 E796 | S793-P874 WeakPolarHBondContact O-CD 3.5Å; E796-P874 HydrophobicContact CB-CG 3.9Å |
| 875 | H | 97.9 | Very high | 96.5 | Very high | 22 Ų | 22 | 41.7 Ų | 41.7 | 10% | 0.102 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -17.7 | -171.3 | -56.7 | -55.3 | 0 | 0 | 0 | 115.5 | E796 D798 H873 R878 I879 | E796-H875 PolarHBondContact O-NE2 3.34Å; E796-H875 IonicContact OE2-CD2 3.44Å; D798-H875 IonicContact OD1-CE1 3.83Å; D798-H875 PolarHBondContact OD1-CE1 3.36Å; D798-H875 IonicContact OD1-NE2 2.68Å; D798-H875 PolarHBondContact OD1-NE2 2.91Å; D798-H875 IonicContact OD2-CE1 2.89Å; D798-H875 PolarHBondContact OD2-CE1 2.95Å; D798-H875 VanDerWaalsContact OD2-CE1 3.3Å; H873-H875 VanDerWaalsContact C-N 3.26Å; H873-H875 PolarHBondContact ND1-N 3.27Å; H873-H875 PolarHBondContact O-N 2.9Å; H875-R878 PolarHBondContact ND1-NH2 3.37Å; H875-R878 PolarHBondContact O-N 3.43Å; H875-I879 HydrophobicContact CB-CD1 3.87Å; H875-I879 WeakPolarHBondContact O-CG1 3.43Å; H875-I879 PolarHBondContact O-N 3.19Å |
| 876 | F | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.9 | -51.4 | -164 | -171.4 | -81.6 | 0 | 0 | 0 | 111.2 | A683 I750 A836 C839 L869 Y870 H873 R878 I879 M880 | A683-F876 HydrophobicContact CB-CE1 4.17Å; I750-F876 HydrophobicContact CG2-CZ 3.98Å; A836-F876 HydrophobicContact CB-CD1 4.28Å; A836-F876 HydrophobicContact CB-CD2 3.71Å; A836-F876 HydrophobicContact CB-CE1 4.41Å; A836-F876 HydrophobicContact CB-CE2 3.88Å; A836-F876 HydrophobicContact CB-CG 3.93Å; A836-F876 HydrophobicContact CB-CZ 4.22Å; A836-F876 WeakPolarHBondContact CB-O 3.49Å; A836-F876 VanDerWaalsContact N-CE2 3.34Å; C839-F876 HydrophobicContact CB-CE1 4.48Å; C839-F876 HydrophobicContact CB-CZ 4.18Å; L869-F876 HydrophobicContact CD1-CD2 4.32Å; L869-F876 HydrophobicContact CD2-CD2 3.93Å; L869-F876 HydrophobicContact CD2-CE2 3.61Å; L869-F876 HydrophobicContact CD2-CZ 3.94Å; L869-F876 HydrophobicContact CG-CD2 4.03Å; L869-F876 HydrophobicContact CG-CE2 4.21Å; L869-F876 HydrophobicContact CG-CG 4.25Å; Y870-F876 HydrophobicContact CD2-CD1 4.35Å; H873-F876 HydrophobicContact CB-CB 3.72Å; H873-F876 PolarHBondContact ND1-N 2.82Å; F876-R878 VanDerWaalsContact C-N 3.33Å; F876-R878 PolarHBondContact O-N 3.23Å; F876-I879 PolarHBondContact O-N 2.96Å; F876-M880 VanDerWaalsContact O-CB 3.31Å; F876-M880 WeakPolarHBondContact O-CB 2.98Å; F876-M880 PolarHBondContact O-N 3.06Å |
| 877 | S | 97.9 | Very high | 96.8 | Very high | 29 Ų | 29 | 45.2 Ų | 45.2 | 20% | 0.203 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.2 | -41.4 | 179.6 | 63.4 | 0 | 0 | 0 | 0 | 112 | Y870 K881 | Y870-S877 VanDerWaalsContact CE2-CB 3.44Å; S877-K881 WeakPolarHBondContact O-CB 3.48Å; S877-K881 WeakPolarHBondContact O-CG 3.44Å; S877-K881 PolarHBondContact O-N 3.29Å |
| 878 | R | 98.4 | Very high | 97.1 | Very high | 136 Ų | 136 | 44.8 Ų | 44.8 | 51% | 0.513 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64 | -48.1 | 178.7 | -179.7 | 176.1 | 60.5 | 83.6 | -1.5 | 112.1 | H875 F876 Q882 | H875-R878 PolarHBondContact ND1-NH2 3.37Å; H875-R878 PolarHBondContact O-N 3.43Å; F876-R878 VanDerWaalsContact C-N 3.33Å; F876-R878 PolarHBondContact O-N 3.23Å; R878-Q882 PolarHBondContact O-N 3.04Å; R878-Q882 VanDerWaalsContact O-N 3.1Å |
| 879 | I | 98.8 | Very high | 97.4 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 7% | 0.067 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.4 | -45.9 | 180 | -67.5 | 168.4 | 0 | 0 | 0 | 110.1 | R833 A836 Q837 H875 F876 K881 Q882 T883 | R833-I879 HydrophobicContact CB-CD1 4.13Å; R833-I879 HydrophobicContact CG-CD1 4.15Å; R833-I879 HydrophobicContact CG-CG2 4.41Å; A836-I879 HydrophobicContact CB-CB 3.9Å; A836-I879 HydrophobicContact CB-CG2 3.78Å; Q837-I879 HydrophobicContact CG-CG2 3.8Å; H875-I879 HydrophobicContact CB-CD1 3.87Å; H875-I879 WeakPolarHBondContact O-CG1 3.43Å; H875-I879 PolarHBondContact O-N 3.19Å; F876-I879 PolarHBondContact O-N 2.96Å; I879-K881 PolarHBondContact O-N 3Å; I879-Q882 PolarHBondContact O-N 3.14Å; I879-T883 PolarHBondContact O-N 2.79Å; I879-T883 PolarHBondContact O-OG1 3.25Å; I879-T883 VanDerWaalsContact O-OG1 3.06Å |
| 880 | M | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.3 | -47.7 | 178.9 | -175 | -79 | -67.8 | 0 | 0 | 111.6 | L681 A836 C839 V843 Y870 F876 Q882 T883 V884 F895 | L681-M880 HydrophobicContact CD2-CE 3.98Å; A836-M880 HydrophobicContact CB-CB 4.28Å; A836-M880 WeakPolarHBondContact O-CB 3.34Å; C839-M880 HydrophobicContact CB-CG 4.19Å; V843-M880 HydrophobicContact CG2-SD 4.43Å; Y870-M880 HydrophobicContact CD2-CE 4.36Å; Y870-M880 HydrophobicContact CE2-CE 3.53Å; F876-M880 VanDerWaalsContact O-CB 3.31Å; F876-M880 WeakPolarHBondContact O-CB 2.98Å; F876-M880 PolarHBondContact O-N 3.06Å; M880-Q882 VanDerWaalsContact C-N 3.31Å; M880-Q882 PolarHBondContact O-N 3.29Å; M880-T883 PolarHBondContact O-N 3.17Å; M880-T883 VanDerWaalsContact O-N 3.17Å; M880-V884 WeakPolarHBondContact O-CG2 3.48Å; M880-V884 PolarHBondContact O-N 3.28Å; M880-V884 HydrophobicContact SD-CG2 3.73Å; M880-F895 HydrophobicContact CE-CD1 3.77Å; M880-F895 HydrophobicContact CE-CE1 3.44Å; M880-F895 VanDerWaalsContact CE-CE1 3.44Å; M880-F895 HydrophobicContact CE-CZ 3.92Å; M880-F895 HydrophobicContact SD-CE1 3.77Å; M880-F895 HydrophobicContact SD-CZ 3.77Å |
| 881 | K | 98.7 | Very high | 97.7 | Very high | 84 Ų | 84 | 51.6 Ų | 51.6 | 37% | 0.365 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -56.2 | -44.5 | 175.5 | -73.8 | 173.8 | -168.3 | -166.4 | 0 | 112.2 | Y870 S877 I879 V884 K885 F895 | Y870-K881 WeakPolarHBondContact OH-CE 3.34Å; S877-K881 WeakPolarHBondContact O-CB 3.48Å; S877-K881 WeakPolarHBondContact O-CG 3.44Å; S877-K881 PolarHBondContact O-N 3.29Å; I879-K881 PolarHBondContact O-N 3Å; K881-V884 PolarHBondContact O-N 3.29Å; K881-K885 PolarHBondContact O-N 3.28Å; K881-K885 VanDerWaalsContact O-N 3.09Å; K881-F895 HydrophobicContact CB-CE2 4.41Å; K881-F895 HydrophobicContact CD-CD2 4.19Å; K881-F895 HydrophobicContact CG-CD2 3.56Å; K881-F895 HydrophobicContact CG-CE2 3.82Å; K881-F895 HydrophobicContact CG-CG 4.11Å |
| 882 | Q | 98.6 | Very high | 98 | Very high | 92 Ų | 92 | 51.4 Ų | 51.4 | 43% | 0.43 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 177.8 | -174.2 | 59.2 | 50.8 | 0 | 0 | 111.1 | R878 I879 M880 V884 K885 D886 | R878-Q882 PolarHBondContact O-N 3.04Å; R878-Q882 VanDerWaalsContact O-N 3.1Å; I879-Q882 PolarHBondContact O-N 3.14Å; M880-Q882 VanDerWaalsContact C-N 3.31Å; M880-Q882 PolarHBondContact O-N 3.29Å; Q882-V884 VanDerWaalsContact C-N 3.35Å; Q882-V884 PolarHBondContact O-N 3.22Å; Q882-K885 WeakPolarHBondContact O-CB 3.19Å; Q882-K885 PolarHBondContact O-N 3.03Å; Q882-K885 VanDerWaalsContact O-N 3.17Å; Q882-D886 PolarHBondContact NE2-OD1 3.07Å; Q882-D886 PolarHBondContact NE2-OD2 2.92Å; Q882-D886 PolarHBondContact O-N 3.45Å |
| 883 | T | 98.8 | Very high | 98.2 | Very high | 10 Ų | 10 | 48 Ų | 48 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.4 | -41.9 | 176.9 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | L490 Q837 I879 M880 K885 D886 L887 | L490-T883 HydrophobicContact CD1-CG2 4.21Å; Q837-T883 HydrophobicContact CB-CG2 4.42Å; Q837-T883 WeakPolarHBondContact O-CG2 3.32Å; I879-T883 PolarHBondContact O-N 2.79Å; I879-T883 PolarHBondContact O-OG1 3.25Å; I879-T883 VanDerWaalsContact O-OG1 3.06Å; M880-T883 PolarHBondContact O-N 3.17Å; M880-T883 VanDerWaalsContact O-N 3.17Å; T883-K885 VanDerWaalsContact C-N 3.33Å; T883-K885 PolarHBondContact O-N 3.38Å; T883-D886 PolarHBondContact O-N 2.93Å; T883-L887 HydrophobicContact CG2-CD1 3.49Å; T883-L887 VanDerWaalsContact CG2-CD1 3.49Å; T883-L887 HydrophobicContact CG2-CG 4.07Å; T883-L887 WeakPolarHBondContact O-CB 3.41Å; T883-L887 VanDerWaalsContact O-CG 3.23Å; T883-L887 WeakPolarHBondContact O-CG 3.22Å; T883-L887 PolarHBondContact O-N 3.47Å |
| 884 | V | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 175.2 | 174 | 0 | 0 | 0 | 0 | 111.3 | G840 V843 M880 K881 Q882 D886 L887 A888 V893 F895 | G840-V884 VanDerWaalsContact O-CG2 3.32Å; G840-V884 WeakPolarHBondContact O-CG2 3.41Å; V843-V884 HydrophobicContact CB-CG2 3.76Å; V843-V884 HydrophobicContact CG1-CG1 4.28Å; V843-V884 HydrophobicContact CG1-CG2 3.85Å; M880-V884 WeakPolarHBondContact O-CG2 3.48Å; M880-V884 PolarHBondContact O-N 3.28Å; M880-V884 HydrophobicContact SD-CG2 3.73Å; K881-V884 PolarHBondContact O-N 3.29Å; Q882-V884 VanDerWaalsContact C-N 3.35Å; Q882-V884 PolarHBondContact O-N 3.22Å; V884-D886 VanDerWaalsContact C-N 3.34Å; V884-D886 PolarHBondContact O-N 3.07Å; V884-L887 PolarHBondContact O-N 3.02Å; V884-A888 WeakPolarHBondContact O-CB 3.47Å; V884-A888 PolarHBondContact O-N 3.46Å; V884-V893 HydrophobicContact CG1-CB 4.2Å; V884-V893 HydrophobicContact CG1-CG1 4.5Å; V884-V893 HydrophobicContact CG1-CG2 3.86Å; V884-F895 HydrophobicContact CB-CZ 4.31Å; V884-F895 HydrophobicContact CG1-CZ 4.29Å; V884-F895 HydrophobicContact CG2-CZ 4.05Å |
| 885 | K | 98.4 | Very high | 98.4 | Very high | 139 Ų | 139 | 50.5 Ų | 50.5 | 60% | 0.604 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61.1 | -42.2 | 177.7 | -175.5 | 179.5 | 178.9 | -179.3 | 0 | 112.3 | K881 Q882 T883 P889 | K881-K885 PolarHBondContact O-N 3.28Å; K881-K885 VanDerWaalsContact O-N 3.09Å; Q882-K885 WeakPolarHBondContact O-CB 3.19Å; Q882-K885 PolarHBondContact O-N 3.03Å; Q882-K885 VanDerWaalsContact O-N 3.17Å; T883-K885 VanDerWaalsContact C-N 3.33Å; T883-K885 PolarHBondContact O-N 3.38Å; K885-P889 WeakPolarHBondContact O-CA 3.5Å |
| 886 | D | 98.3 | Very high | 98.3 | Very high | 92 Ų | 92 | 52.1 Ų | 52.1 | 49% | 0.492 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -71.8 | -38.2 | -178.3 | -63.5 | -23.5 | 0 | 0 | 0 | 111.9 | Q882 T883 V884 | Q882-D886 PolarHBondContact NE2-OD1 3.07Å; Q882-D886 PolarHBondContact NE2-OD2 2.92Å; Q882-D886 PolarHBondContact O-N 3.45Å; T883-D886 PolarHBondContact O-N 2.93Å; V884-D886 VanDerWaalsContact C-N 3.34Å; V884-D886 PolarHBondContact O-N 3.07Å |
| 887 | L | 98.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -88.1 | -23.5 | -175.8 | -60.6 | 178.4 | 0 | 0 | 0 | 113.8 | T487 L490 L491 K494 A841 A844 T883 V884 P889 | T487-L887 HydrophobicContact CG2-CD2 4.34Å; L490-L887 HydrophobicContact CB-CD1 3.9Å; L490-L887 HydrophobicContact CB-CD2 4.04Å; L491-L887 HydrophobicContact CD2-CD2 3.73Å; L491-L887 HydrophobicContact CG-CD2 3.72Å; K494-L887 HydrophobicContact CD-CB 4.31Å; K494-L887 PolarHBondContact NZ-O 2.94Å; A841-L887 HydrophobicContact CB-CD1 3.79Å; A844-L887 HydrophobicContact CB-CB 3.74Å; A844-L887 HydrophobicContact CB-CD1 4.4Å; T883-L887 HydrophobicContact CG2-CD1 3.49Å; T883-L887 VanDerWaalsContact CG2-CD1 3.49Å; T883-L887 HydrophobicContact CG2-CG 4.07Å; T883-L887 WeakPolarHBondContact O-CB 3.41Å; T883-L887 VanDerWaalsContact O-CG 3.23Å; T883-L887 WeakPolarHBondContact O-CG 3.22Å; T883-L887 PolarHBondContact O-N 3.47Å; V884-L887 PolarHBondContact O-N 3.02Å; L887-P889 VanDerWaalsContact C-CD 3.43Å |
| 888 | A | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -126.6 | 62.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | A844 V847 V884 R890 C891 | A844-A888 HydrophobicContact CB-CB 4.1Å; V847-A888 HydrophobicContact CG2-CB 3.68Å; V884-A888 WeakPolarHBondContact O-CB 3.47Å; V884-A888 PolarHBondContact O-N 3.46Å; A888-R890 PolarHBondContact O-N 2.91Å; A888-C891 HydrophobicContact CB-CB 4.29Å; A888-C891 PolarHBondContact O-N 3.43Å | ||
| 889 | P | 97.8 | Very high | 96.7 | Very high | 100 Ų | 100 | 55.8 Ų | 55.8 | 65% | 0.649 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -14.4 | -171.7 | 27.7 | -37 | 0 | 0 | 0 | 114.2 | K885 L887 C891 | K885-P889 WeakPolarHBondContact O-CA 3.5Å; L887-P889 VanDerWaalsContact C-CD 3.43Å; P889-C891 VanDerWaalsContact C-N 3.33Å |
| 890 | R | 98.3 | Very high | 95.5 | Very high | 116 Ų | 116 | 58.7 Ų | 58.7 | 44% | 0.438 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -3.8 | 174.5 | -67.4 | -167.8 | -69.8 | -178.3 | -6 | 113.5 | D857 H858 L859 A888 | D857-R890 WeakPolarHBondContact O-CD 3.15Å; H858-R890 VanDerWaalsContact CA-O 3.3Å; H858-R890 WeakPolarHBondContact CA-O 3.49Å; L859-R890 PolarHBondContact N-O 2.69Å; L859-R890 VanDerWaalsContact N-O 3.13Å; A888-R890 PolarHBondContact O-N 2.91Å |
| 891 | C | 98.3 | Very high | 94.4 | Very high | 10 Ų | 10 | 58.7 Ų | 58.7 | 7% | 0.068 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.2 | 178.6 | -60.2 | 0 | 0 | 0 | 0 | 110.1 | V847 L859 A888 P889 V893 | V847-C891 HydrophobicContact CB-CB 4.13Å; V847-C891 HydrophobicContact CG2-CB 3.91Å; L859-C891 CarbonylContact O-C 3.51Å; L859-C891 WeakPolarHBondContact O-CA 3.1Å; A888-C891 HydrophobicContact CB-CB 4.29Å; A888-C891 PolarHBondContact O-N 3.43Å; P889-C891 VanDerWaalsContact C-N 3.33Å; C891-V893 HydrophobicContact CB-CG2 3.86Å; C891-V893 PolarHBondContact O-N 3.35Å |
| 892 | C | 97.9 | Very high | 93.7 | Very high | 76 Ų | 76 | 54.9 Ų | 54.9 | 51% | 0.514 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 103.4 | 166.8 | -168.7 | 0 | 0 | 0 | 0 | 108.3 | L859 N860 I861 | L859-C892 PolarHBondContact O-N 3.45Å; N860-C892 WeakPolarHBondContact CA-O 3.34Å; N860-C892 WeakPolarHBondContact OD1-CB 3.32Å; I861-C892 PolarHBondContact N-O 3.44Å |
| 893 | V | 98.4 | Very high | 93.1 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 117.9 | -172.9 | -170 | 0 | 0 | 0 | 0 | 110.4 | V847 I861 V863 V884 C891 F895 | V847-V893 HydrophobicContact CB-CG2 4.2Å; V847-V893 HydrophobicContact CG1-CG1 4.31Å; V847-V893 HydrophobicContact CG1-CG2 3.82Å; V847-V893 HydrophobicContact CG2-CG2 4.15Å; I861-V893 HydrophobicContact CG2-CG1 4.38Å; I861-V893 HydrophobicContact CG2-CG2 4.11Å; I861-V893 WeakPolarHBondContact O-CA 3.47Å; V863-V893 HydrophobicContact CG2-CG1 3.55Å; V884-V893 HydrophobicContact CG1-CB 4.2Å; V884-V893 HydrophobicContact CG1-CG1 4.5Å; V884-V893 HydrophobicContact CG1-CG2 3.86Å; C891-V893 HydrophobicContact CB-CG2 3.86Å; C891-V893 PolarHBondContact O-N 3.35Å; V893-F895 HydrophobicContact CB-CE2 4.04Å; V893-F895 HydrophobicContact CB-CZ 4.46Å; V893-F895 HydrophobicContact CG1-CD2 4.17Å; V893-F895 HydrophobicContact CG1-CE1 4.33Å; V893-F895 HydrophobicContact CG1-CE2 3.55Å; V893-F895 HydrophobicContact CG1-CZ 3.65Å |
| 894 | T | 98.3 | Very high | 92.7 | Very high | 79 Ų | 79 | 50.5 Ų | 50.5 | 49% | 0.485 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 140.2 | 170.8 | -60.7 | 0 | 0 | 0 | 0 | 109.3 | I861 T862 V863 | I861-T894 PolarHBondContact O-N 2.7Å; T862-T894 CarbonylContact C-O 3.43Å; T862-T894 VanDerWaalsContact CA-O 3.29Å; T862-T894 WeakPolarHBondContact CA-O 3.28Å; T862-T894 HydrophobicContact CG2-CG2 4.44Å; V863-T894 PolarHBondContact N-O 3.41Å |
| 895 | F | 98.2 | Very high | 92.4 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 11% | 0.114 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 116.2 | 176.2 | -67.4 | -94.9 | 0 | 0 | 0 | 109.3 | V843 V863 V865 Y870 M880 K881 V884 V893 | V843-F895 HydrophobicContact CG1-CE1 4.2Å; V843-F895 HydrophobicContact CG1-CZ 4.12Å; V863-F895 HydrophobicContact CB-CD1 3.63Å; V863-F895 HydrophobicContact CB-CE1 3.81Å; V863-F895 HydrophobicContact CB-CG 4.4Å; V863-F895 HydrophobicContact CG1-CD1 3.95Å; V863-F895 HydrophobicContact CG1-CE1 4.01Å; V863-F895 HydrophobicContact CG2-CD1 4.1Å; V863-F895 HydrophobicContact CG2-CE1 3.78Å; V863-F895 HydrophobicContact CG2-CZ 4.29Å; V863-F895 WeakPolarHBondContact O-CA 3.35Å; V865-F895 HydrophobicContact CG2-CB 4.26Å; V865-F895 HydrophobicContact CG2-CD1 3.72Å; V865-F895 HydrophobicContact CG2-CG 4.49Å; Y870-F895 WeakPolarHBondContact OH-CB 3.29Å; M880-F895 HydrophobicContact CE-CD1 3.77Å; M880-F895 HydrophobicContact CE-CE1 3.44Å; M880-F895 VanDerWaalsContact CE-CE1 3.44Å; M880-F895 HydrophobicContact CE-CZ 3.92Å; M880-F895 HydrophobicContact SD-CE1 3.77Å; M880-F895 HydrophobicContact SD-CZ 3.77Å; K881-F895 HydrophobicContact CB-CE2 4.41Å; K881-F895 HydrophobicContact CD-CD2 4.19Å; K881-F895 HydrophobicContact CG-CD2 3.56Å; K881-F895 HydrophobicContact CG-CE2 3.82Å; K881-F895 HydrophobicContact CG-CG 4.11Å; V884-F895 HydrophobicContact CB-CZ 4.31Å; V884-F895 HydrophobicContact CG1-CZ 4.29Å; V884-F895 HydrophobicContact CG2-CZ 4.05Å; V893-F895 HydrophobicContact CB-CE2 4.04Å; V893-F895 HydrophobicContact CB-CZ 4.46Å; V893-F895 HydrophobicContact CG1-CD2 4.17Å; V893-F895 HydrophobicContact CG1-CE1 4.33Å; V893-F895 HydrophobicContact CG1-CE2 3.55Å; V893-F895 HydrophobicContact CG1-CZ 3.65Å |
| 896 | L | 96.6 | Very high | 92.2 | Very high | 56 Ų | 56 | 43.8 Ų | 43.8 | 29% | 0.293 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 128.2 | 179.9 | -173 | 65.2 | 0 | 0 | 0 | 109.2 | C670 E674 T862 V863 G864 V865 | C670-L896 HydrophobicContact CB-CD2 3.99Å; E674-L896 HydrophobicContact CB-CD2 4.23Å; T862-L896 HydrophobicContact CG2-CB 3.97Å; V863-L896 PolarHBondContact O-N 3.41Å; G864-L896 CarbonylContact C-O 3.52Å; G864-L896 WeakPolarHBondContact CA-O 3.42Å; V865-L896 PolarHBondContact N-O 2.94Å |
| 897 | L | 94.6 | Very high | 92 | Very high | 71 Ų | 71 | 39.4 Ų | 39.4 | 37% | 0.372 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 131.3 | 177.7 | -172.4 | 71.9 | 0 | 0 | 0 | 109.9 | Y870 K871 E899 | Y870-L897 HydrophobicContact CD1-CD1 3.77Å; Y870-L897 HydrophobicContact CE1-CD1 3.99Å; K871-L897 HydrophobicContact CD-CD1 4.3Å; K871-L897 HydrophobicContact CG-CD1 3.65Å; K871-L897 HydrophobicContact CG-CD2 4.08Å; K871-L897 HydrophobicContact CG-CG 4.38Å; L897-E899 PolarHBondContact O-N 3.33Å |
| 898 | S | 89.4 | Confident | 91.7 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | trans | -79.9 | 112.1 | 169 | -176 | 0 | 0 | 0 | 0 | 110.1 | T669 V865 K871 G901 | T669-S898 WeakPolarHBondContact CG2-OG 3.46Å; V865-S898 PolarHBondContact O-N 3.3Å; K871-S898 WeakPolarHBondContact CE-O 3.31Å; K871-S898 PolarHBondContact NZ-O 3Å; S898-G901 WeakPolarHBondContact OG-CA 3.24Å; S898-G901 PolarHBondContact OG-N 3.24Å; S898-G901 VanDerWaalsContact OG-N 3.15Å; S898-G901 PolarHBondContact OG-O 2.96Å | ||
| 899 | E | 77.6 | Confident | 91.5 | Very high | 169 Ų | 169 | 39.3 Ų | 39.3 | 79% | 0.79 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -74.7 | -42.9 | 176.8 | -63.2 | -166.1 | 165.5 | 0 | 0 | 111.4 | L897 | L897-E899 PolarHBondContact O-N 3.33Š|
| 900 | D | 73.2 | Confident | 91.3 | Very high | 74 Ų | 74 | 34.6 Ų | 34.6 | 40% | 0.396 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -88 | -6.5 | -175 | -58.5 | -45 | 0 | 0 | 0 | 113.9 | M560 | M560-D900 HydrophobicContact CE-CB 3.95Å; M560-D900 HydrophobicContact SD-CB 3.97Å |
| 901 | G | 75 | Confident | 90.9 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | trans | 76.5 | -159.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | T669 D866 S898 | T669-G901 PolarHBondContact OG1-O 3.36Å; D866-G901 VanDerWaalsContact OD2-CA 3.31Å; D866-G901 WeakPolarHBondContact OD2-CA 3.4Å; S898-G901 WeakPolarHBondContact OG-CA 3.24Å; S898-G901 PolarHBondContact OG-N 3.24Å; S898-G901 VanDerWaalsContact OG-N 3.15Å; S898-G901 PolarHBondContact OG-O 2.96Å | ||
| 902 | S | 84.9 | Confident | 90.3 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -71.1 | -23.4 | -176.5 | 50.3 | 0 | 0 | 0 | 0 | 114.4 | D538 K904 G905 A906 | D538-S902 PolarHBondContact OD1-OG 3.47Å; D538-S902 PolarHBondContact OD2-OG 3.21Å; S902-K904 PolarHBondContact O-N 3.06Å; S902-G905 PolarHBondContact O-N 3.22Å; S902-G905 VanDerWaalsContact O-N 3.12Å; S902-A906 PolarHBondContact O-N 2.86Å |
| 903 | G | 86.6 | Confident | 89.7 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.9 | -38.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A536 G905 A906 A907 | A536-G903 WeakPolarHBondContact CB-O 3.47Å; G903-G905 VanDerWaalsContact C-N 3.33Å; G903-G905 PolarHBondContact O-N 2.97Å; G903-A906 PolarHBondContact O-N 3.46Å; G903-A907 PolarHBondContact O-N 3.01Å; G903-A907 VanDerWaalsContact O-N 3.12Å |
| 904 | K | 90.1 | Very high | 89.2 | Confident | 10 Ų | 10 | 25.9 Ų | 25.9 | 4% | 0.043 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.1 | -44.3 | 172.9 | -180 | 168.3 | 163.8 | -170.3 | 0 | 111.1 | V558 M560 T669 E673 S902 A907 L908 | V558-K904 HydrophobicContact CG1-CD 4.3Å; V558-K904 HydrophobicContact CG1-CG 4.38Å; M560-K904 HydrophobicContact CE-CB 4.17Å; M560-K904 HydrophobicContact SD-CB 3.7Å; M560-K904 HydrophobicContact SD-CD 4.08Å; M560-K904 HydrophobicContact SD-CG 4.13Å; T669-K904 HydrophobicContact CG2-CB 4.1Å; T669-K904 HydrophobicContact CG2-CD 4Å; T669-K904 HydrophobicContact CG2-CG 4.27Å; E673-K904 IonicContact OE1-NZ 2.72Å; E673-K904 PolarHBondContact OE1-NZ 3.49Å; S902-K904 PolarHBondContact O-N 3.06Å; K904-A907 PolarHBondContact O-N 3.48Å; K904-L908 HydrophobicContact CG-CD1 4.14Å; K904-L908 WeakPolarHBondContact O-CG 3.33Å; K904-L908 PolarHBondContact O-N 2.94Å |
| 905 | G | 92.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G665 T669 S902 G903 A907 L908 I909 | G665-G905 WeakPolarHBondContact O-CA 3.16Å; T669-G905 WeakPolarHBondContact OG1-CA 3.39Å; T669-G905 PolarHBondContact OG1-N 3.48Å; S902-G905 PolarHBondContact O-N 3.22Å; S902-G905 VanDerWaalsContact O-N 3.12Å; G903-G905 VanDerWaalsContact C-N 3.33Å; G903-G905 PolarHBondContact O-N 2.97Å; G905-A907 VanDerWaalsContact C-N 3.33Å; G905-A907 PolarHBondContact O-N 3.03Å; G905-L908 PolarHBondContact O-N 2.89Å; G905-I909 WeakPolarHBondContact O-CD1 3.44Å; G905-I909 VanDerWaalsContact O-CG1 3.29Å; G905-I909 WeakPolarHBondContact O-CG1 3.14Å; G905-I909 PolarHBondContact O-N 3.47Å |
| 906 | A | 93.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A536 T606 S902 G903 I909 T910 | A536-A906 HydrophobicContact CB-CB 4.03Å; T606-A906 VanDerWaalsContact OG1-CB 3.31Å; T606-A906 WeakPolarHBondContact OG1-CB 3.47Å; S902-A906 PolarHBondContact O-N 2.86Å; G903-A906 PolarHBondContact O-N 3.46Å; A906-I909 PolarHBondContact O-N 3.47Å; A906-T910 WeakPolarHBondContact O-CB 3.37Å; A906-T910 PolarHBondContact O-N 2.86Å; A906-T910 PolarHBondContact O-OG1 3.37Å |
| 907 | A | 93.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F534 V549 I551 G903 K904 G905 T910 A911 | F534-A907 HydrophobicContact CB-CB 3.96Å; V549-A907 HydrophobicContact CB-CB 3.47Å; V549-A907 VanDerWaalsContact CB-CB 3.47Å; V549-A907 HydrophobicContact CG1-CB 3.66Å; V549-A907 HydrophobicContact CG2-CB 3.65Å; I551-A907 HydrophobicContact CD1-CB 4.3Å; G903-A907 PolarHBondContact O-N 3.01Å; G903-A907 VanDerWaalsContact O-N 3.12Å; K904-A907 PolarHBondContact O-N 3.48Å; G905-A907 VanDerWaalsContact C-N 3.33Å; G905-A907 PolarHBondContact O-N 3.03Å; A907-T910 WeakPolarHBondContact O-CB 3.35Å; A907-T910 PolarHBondContact O-N 2.75Å; A907-A911 PolarHBondContact O-N 2.69Å |
| 908 | L | 92.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 175.4 | -74.4 | 161.4 | 0 | 0 | 0 | 112.2 | P526 E530 I551 Y672 K904 G905 T910 A911 V912 | P526-L908 HydrophobicContact CB-CD2 4.33Å; P526-L908 HydrophobicContact CG-CB 4.33Å; P526-L908 HydrophobicContact CG-CD1 4.13Å; P526-L908 HydrophobicContact CG-CD2 4.37Å; E530-L908 HydrophobicContact CB-CD2 4.21Å; E530-L908 HydrophobicContact CG-CD2 4.09Å; I551-L908 HydrophobicContact CD1-CD2 3.81Å; I551-L908 HydrophobicContact CD1-CG 4.08Å; Y672-L908 HydrophobicContact CD2-CD1 4.04Å; Y672-L908 HydrophobicContact CD2-CD2 3.46Å; Y672-L908 VanDerWaalsContact CD2-CD2 3.46Å; Y672-L908 HydrophobicContact CD2-CG 4.42Å; Y672-L908 HydrophobicContact CE2-CD2 3.75Å; Y672-L908 HydrophobicContact CG-CD1 3.94Å; Y672-L908 HydrophobicContact CG-CD2 4.17Å; K904-L908 HydrophobicContact CG-CD1 4.14Å; K904-L908 WeakPolarHBondContact O-CG 3.33Å; K904-L908 PolarHBondContact O-N 2.94Å; G905-L908 PolarHBondContact O-N 2.89Å; L908-T910 VanDerWaalsContact C-N 3.29Å; L908-T910 PolarHBondContact O-N 2.94Å; L908-A911 WeakPolarHBondContact O-CB 3.46Å; L908-A911 PolarHBondContact O-N 3.34Å; L908-V912 WeakPolarHBondContact O-CG2 3.22Å; L908-V912 PolarHBondContact O-N 2.95Å |
| 909 | I | 93.8 | Very high | 85.2 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.5 | -42.3 | 174.8 | -67.9 | 160.3 | 0 | 0 | 0 | 110.4 | V522 L616 A658 V660 V664 M668 G905 A906 A911 V912 A913 | V522-I909 HydrophobicContact CG1-CG1 4.41Å; V522-I909 HydrophobicContact CG2-CD1 4.11Å; V522-I909 HydrophobicContact CG2-CG1 4.12Å; V522-I909 HydrophobicContact CG2-CG2 3.89Å; L616-I909 HydrophobicContact CD1-CG2 4.07Å; L616-I909 HydrophobicContact CD2-CG2 4.26Å; A658-I909 HydrophobicContact CB-CG2 4.01Å; V660-I909 HydrophobicContact CB-CD1 4.23Å; V660-I909 HydrophobicContact CG1-CD1 3.32Å; V660-I909 HydrophobicContact CG2-CB 4.39Å; V660-I909 HydrophobicContact CG2-CD1 3.8Å; V660-I909 HydrophobicContact CG2-CG2 4.04Å; V664-I909 HydrophobicContact CG1-CD1 4Å; M668-I909 HydrophobicContact CB-CD1 4.36Å; M668-I909 HydrophobicContact CB-CG1 4.31Å; M668-I909 HydrophobicContact CE-CG1 3.91Å; M668-I909 HydrophobicContact CG-CD1 3.83Å; M668-I909 HydrophobicContact CG-CG1 3.79Å; G905-I909 WeakPolarHBondContact O-CD1 3.44Å; G905-I909 VanDerWaalsContact O-CG1 3.29Å; G905-I909 WeakPolarHBondContact O-CG1 3.14Å; G905-I909 PolarHBondContact O-N 3.47Å; A906-I909 PolarHBondContact O-N 3.47Å; I909-A911 VanDerWaalsContact C-N 3.33Å; I909-A911 PolarHBondContact O-N 3.48Å; I909-V912 PolarHBondContact O-N 3.48Å; I909-A913 WeakPolarHBondContact O-CB 3.38Å; I909-A913 PolarHBondContact O-N 3.47Å |
| 910 | T | 93.3 | Very high | 85 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.5 | -42.8 | 176.3 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | F534 P602 G604 V657 A906 A907 L908 A913 C914 | F534-T910 HydrophobicContact CD1-CG2 3.56Å; F534-T910 HydrophobicContact CE1-CG2 4.16Å; F534-T910 HydrophobicContact CG-CG2 4.36Å; P602-T910 HydrophobicContact CB-CG2 3.78Å; G604-T910 WeakPolarHBondContact CA-OG1 3.44Å; G604-T910 PolarHBondContact N-OG1 3.04Å; V657-T910 HydrophobicContact CB-CG2 3.99Å; V657-T910 HydrophobicContact CG1-CG2 4.41Å; V657-T910 HydrophobicContact CG2-CG2 4.11Å; A906-T910 WeakPolarHBondContact O-CB 3.37Å; A906-T910 PolarHBondContact O-N 2.86Å; A906-T910 PolarHBondContact O-OG1 3.37Å; A907-T910 WeakPolarHBondContact O-CB 3.35Å; A907-T910 PolarHBondContact O-N 2.75Å; L908-T910 VanDerWaalsContact C-N 3.29Å; L908-T910 PolarHBondContact O-N 2.94Å; T910-A913 WeakPolarHBondContact O-CB 3.18Å; T910-A913 PolarHBondContact O-N 3.47Å; T910-C914 PolarHBondContact O-N 3.47Å; T910-C914 PolarHBondContact O-SG 3.48Å |
| 911 | A | 90.8 | Very high | 84.9 | Confident | 6 Ų | 6 | 34.5 Ų | 34.5 | 5% | 0.05 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.9 | -46.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | E530 F534 I551 A907 L908 I909 A913 C914 R915 | E530-A911 HydrophobicContact CB-CB 3.81Å; E530-A911 HydrophobicContact CG-CB 4.03Å; F534-A911 HydrophobicContact CD2-CB 4.4Å; F534-A911 HydrophobicContact CE1-CB 4.04Å; F534-A911 HydrophobicContact CE2-CB 3.58Å; F534-A911 HydrophobicContact CZ-CB 3.36Å; I551-A911 HydrophobicContact CD1-CB 4.48Å; A907-A911 PolarHBondContact O-N 2.69Å; L908-A911 WeakPolarHBondContact O-CB 3.46Å; L908-A911 PolarHBondContact O-N 3.34Å; I909-A911 VanDerWaalsContact C-N 3.33Å; I909-A911 PolarHBondContact O-N 3.48Å; A911-A913 VanDerWaalsContact C-N 3.31Å; A911-A913 PolarHBondContact O-N 3.17Å; A911-C914 PolarHBondContact O-N 3.09Å; A911-R915 PolarHBondContact O-N 2.71Å |
| 912 | V | 85.1 | Confident | 84.4 | Confident | 13 Ų | 13 | 38.9 Ų | 38.9 | 8% | 0.079 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 176.5 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | E530 L908 I909 R915 L916 | E530-V912 HydrophobicContact CG-CG2 3.98Å; L908-V912 WeakPolarHBondContact O-CG2 3.22Å; L908-V912 PolarHBondContact O-N 2.95Å; I909-V912 PolarHBondContact O-N 3.48Å; V912-R915 PolarHBondContact O-N 3.29Å; V912-L916 HydrophobicContact CG1-CD1 4.03Å; V912-L916 HydrophobicContact CG1-CG 4.41Å; V912-L916 VanDerWaalsContact O-CG 3.32Å; V912-L916 WeakPolarHBondContact O-CG 3.41Å; V912-L916 PolarHBondContact O-N 3.42Å |
| 913 | A | 86.5 | Confident | 82.9 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.9 | -43.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L616 V657 I909 T910 A911 L916 R917 | L616-A913 HydrophobicContact CD2-CB 3.4Å; V657-A913 HydrophobicContact CG1-CB 3.41Å; V657-A913 VanDerWaalsContact CG1-CB 3.41Å; I909-A913 WeakPolarHBondContact O-CB 3.38Å; I909-A913 PolarHBondContact O-N 3.47Å; T910-A913 WeakPolarHBondContact O-CB 3.18Å; T910-A913 PolarHBondContact O-N 3.47Å; A911-A913 VanDerWaalsContact C-N 3.31Å; A911-A913 PolarHBondContact O-N 3.17Å; A913-L916 PolarHBondContact O-N 3.45Å; A913-R917 WeakPolarHBondContact O-CG 3.32Å; A913-R917 PolarHBondContact O-N 3.15Å |
| 914 | C | 86.8 | Confident | 80.7 | Confident | 25 Ų | 25 | 58.7 Ų | 58.7 | 17% | 0.169 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 175.2 | -67.3 | 0 | 0 | 0 | 0 | 110.9 | T910 A911 L916 R917 E918 | T910-C914 PolarHBondContact O-N 3.47Å; T910-C914 PolarHBondContact O-SG 3.48Å; A911-C914 PolarHBondContact O-N 3.09Å; C914-L916 PolarHBondContact O-N 3.25Å; C914-R917 WeakPolarHBondContact O-CB 3.32Å; C914-R917 PolarHBondContact O-N 2.87Å; C914-E918 PolarHBondContact O-N 3.08Å |
| 915 | R | 81.9 | Confident | 80.2 | Confident | 51 Ų | 51 | 61.1 Ų | 61.1 | 19% | 0.192 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.2 | -48.3 | 176 | -176.5 | -174.1 | 71.4 | -162.5 | 7.3 | 112 | D527 T529 A911 V912 R917 E918 E919 | D527-R915 VanDerWaalsContact CG-NH1 3.31Å; D527-R915 IonicContact OD1-NH1 3.04Å; D527-R915 PolarHBondContact OD1-NH1 3.25Å; D527-R915 VanDerWaalsContact OD1-NH1 3.09Å; D527-R915 IonicContact OD2-CZ 3.3Å; D527-R915 VanDerWaalsContact OD2-CZ 3.31Å; D527-R915 IonicContact OD2-NH1 3.53Å; D527-R915 PolarHBondContact OD2-NH1 3.19Å; D527-R915 IonicContact OD2-NH2 3.28Å; D527-R915 PolarHBondContact OD2-NH2 2.81Å; T529-R915 PolarHBondContact OG1-NH1 2.94Å; A911-R915 PolarHBondContact O-N 2.71Å; V912-R915 PolarHBondContact O-N 3.29Å; R915-R917 VanDerWaalsContact C-N 3.31Å; R915-R917 PolarHBondContact O-N 3.47Å; R915-E918 PolarHBondContact O-N 3.08Å; R915-E918 VanDerWaalsContact O-N 3.1Å; R915-E919 IonicContact NE-OE1 3.73Å; R915-E919 PolarHBondContact O-N 3.15Å |
| 916 | L | 76.8 | Confident | 79.6 | Confident | 89 Ų | 89 | 64.3 Ų | 64.3 | 47% | 0.466 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.8 | -36.7 | 178.8 | -70.8 | 173.8 | 0 | 0 | 0 | 112.3 | V912 A913 C914 E918 A920 | V912-L916 HydrophobicContact CG1-CD1 4.03Å; V912-L916 HydrophobicContact CG1-CG 4.41Å; V912-L916 VanDerWaalsContact O-CG 3.32Å; V912-L916 WeakPolarHBondContact O-CG 3.41Å; V912-L916 PolarHBondContact O-N 3.42Å; A913-L916 PolarHBondContact O-N 3.45Å; C914-L916 PolarHBondContact O-N 3.25Å; L916-E918 VanDerWaalsContact C-N 3.34Å; L916-A920 WeakPolarHBondContact O-CB 3.34Å; L916-A920 PolarHBondContact O-N 3.29Å |
| 917 | R | 82.3 | Confident | 78.8 | Confident | 84 Ų | 84 | 67.9 Ų | 67.9 | 32% | 0.317 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 172.8 | -74.6 | 176.1 | 176.6 | -173.9 | -1.3 | 111.3 | D617 D655 A913 C914 R915 K921 | D617-R917 IonicContact OD2-NH2 3.98Å; D655-R917 IonicContact OD1-NH1 3.81Å; D655-R917 PolarHBondContact OD1-NH1 2.93Å; D655-R917 IonicContact OD2-NH1 3.58Å; D655-R917 PolarHBondContact OD2-NH1 3.35Å; A913-R917 WeakPolarHBondContact O-CG 3.32Å; A913-R917 PolarHBondContact O-N 3.15Å; C914-R917 WeakPolarHBondContact O-CB 3.32Å; C914-R917 PolarHBondContact O-N 2.87Å; R915-R917 VanDerWaalsContact C-N 3.31Å; R915-R917 PolarHBondContact O-N 3.47Å; R917-K921 VanDerWaalsContact O-CG 3.32Å; R917-K921 WeakPolarHBondContact O-CG 3.44Å; R917-K921 PolarHBondContact O-N 3.29Å; R917-K921 VanDerWaalsContact O-N 3.16Å |
| 918 | E | 77.2 | Confident | 78 | Confident | 136 Ų | 136 | 71.9 Ų | 71.9 | 64% | 0.636 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -71.8 | -41.4 | 177.7 | -70.6 | -179.3 | 168.7 | 0 | 0 | 113.2 | C914 R915 L916 A920 K921 S922 | C914-E918 PolarHBondContact O-N 3.08Å; R915-E918 PolarHBondContact O-N 3.08Å; R915-E918 VanDerWaalsContact O-N 3.1Å; L916-E918 VanDerWaalsContact C-N 3.34Å; E918-A920 VanDerWaalsContact C-N 3.32Å; E918-A920 PolarHBondContact O-N 2.69Å; E918-K921 PolarHBondContact O-N 2.94Å; E918-S922 PolarHBondContact O-N 3.17Å; E918-S922 PolarHBondContact O-OG 3.29Å |
| 919 | E | 75.3 | Confident | 77 | Confident | 80 Ų | 80 | 76.4 Ų | 76.4 | 37% | 0.374 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 174.8 | -73.3 | 178.5 | -164.6 | 0 | 0 | 112.2 | R915 K921 S922 K923 | R915-E919 IonicContact NE-OE1 3.73Å; R915-E919 PolarHBondContact O-N 3.15Å; E919-K921 VanDerWaalsContact C-N 3.35Å; E919-S922 WeakPolarHBondContact CA-OG 3.47Å; E919-S922 PolarHBondContact O-N 3.45Å; E919-S922 PolarHBondContact O-OG 2.75Å; E919-S922 VanDerWaalsContact O-OG 3.08Å; E919-K923 WeakPolarHBondContact O-CG 3.46Å; E919-K923 PolarHBondContact O-N 3.36Å |
| 920 | A | 73.4 | Confident | 75.9 | Confident | 58 Ų | 58 | 81.2 Ų | 81.2 | 48% | 0.479 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.6 | -32.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L916 E918 | L916-A920 WeakPolarHBondContact O-CB 3.34Å; L916-A920 PolarHBondContact O-N 3.29Å; E918-A920 VanDerWaalsContact C-N 3.32Å; E918-A920 PolarHBondContact O-N 2.69Å |
| 921 | K | 71.1 | Confident | 74.7 | Confident | 159 Ų | 159 | 87 Ų | 87 | 69% | 0.691 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -72.9 | -31.3 | 174.8 | -77.6 | 175.1 | -178.5 | 178.1 | 0 | 112.9 | R917 E918 E919 | R917-K921 VanDerWaalsContact O-CG 3.32Å; R917-K921 WeakPolarHBondContact O-CG 3.44Å; R917-K921 PolarHBondContact O-N 3.29Å; R917-K921 VanDerWaalsContact O-N 3.16Å; E918-K921 PolarHBondContact O-N 2.94Å; E919-K921 VanDerWaalsContact C-N 3.35Å |
| 922 | S | 64.9 | Low | 73.4 | Confident | 93 Ų | 93 | 93.2 Ų | 93.2 | 65% | 0.65 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -83.1 | -13.6 | 178.4 | 50.4 | 0 | 0 | 0 | 0 | 114.2 | E918 E919 | E918-S922 PolarHBondContact O-N 3.17Å; E918-S922 PolarHBondContact O-OG 3.29Å; E919-S922 WeakPolarHBondContact CA-OG 3.47Å; E919-S922 PolarHBondContact O-N 3.45Å; E919-S922 PolarHBondContact O-OG 2.75Å; E919-S922 VanDerWaalsContact O-OG 3.08Å |
| 923 | K | 52 | Low | 72.5 | Confident | 178 Ų | 178 | 99.9 Ų | 99.9 | 77% | 0.774 | 49% | 0.486 | S | S | * | . | trans | -93.2 | -5.7 | 172.3 | -73.6 | 176.6 | -179.8 | 170.1 | 0 | 114.2 | E919 | E919-K923 WeakPolarHBondContact O-CG 3.46Å; E919-K923 PolarHBondContact O-N 3.36Å | ||
| 924 | K | 41.4 | Very low | 71.2 | Confident | 241 Ų | 241 | 108.5 Ų | 108.5 | 100% | 1.048 | 53% | 0.527 | S | S | * | . | trans | -101.4 | 0 | 168.9 | -79.7 | -174.6 | 176.4 | -179.1 | 0 | 109.2 |
Retrieved 924 of 924 residues in 4856.4 ms
(Link to these results)