| 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 | 51.2 | Low | 66.7 | Low | 48 Ų | 48 | 65.9 Ų | 65.9 | 24% | 0.236 | 40% | 0.399 | C | S | . | . | 0 | 123.6 | 0 | -71.2 | 165.8 | 146.6 | 0 | 0 | 109.7 | C6 L19 F51 H112 F116 | M1-C6 VanDerWaalsContact CE-SG 3.57Å; M1-L19 HydrophobicContact CE-CB 4.18Å; M1-L19 HydrophobicContact CE-CD1 4.42Å; M1-L19 HydrophobicContact SD-CB 3.49Å; M1-L19 WeakPolarHBondContact SD-CB 3.42Å; M1-F51 HydrophobicContact CE-CE2 3.48Å; M1-F51 VanDerWaalsContact CE-CE2 3.48Å; M1-F51 HydrophobicContact CE-CZ 3.62Å; M1-H112 WeakPolarHBondContact CG-NE2 3.4Å; M1-H112 PolarHBondContact N-NE2 3.38Å; M1-H112 VanDerWaalsContact N-NE2 3.14Å; M1-F116 HydrophobicContact CE-CE2 3.86Å; M1-F116 HydrophobicContact CE-CZ 3.78Å; M1-F116 HydrophobicContact SD-CZ 4.43Å | |||
| 2 | S | 51.7 | Low | 68.3 | Low | 50 Ų | 50 | 64.8 Ų | 64.8 | 35% | 0.35 | 40% | 0.396 | S | S | . | . | trans | -71.1 | 167.3 | 153.1 | 53.8 | 0 | 0 | 0 | 0 | 109.1 | E4 | S2-E4 WeakPolarHBondContact CB-OE2 3.5Å; S2-E4 PolarHBondContact O-N 3.43Å; S2-E4 PolarHBondContact OG-OE2 3.15Å | ||
| 3 | T | 51.4 | Low | 69.1 | Low | 125 Ų | 125 | 70.2 Ų | 70.2 | 77% | 0.767 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -4.9 | 171.5 | 44.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 4 | E | 56.8 | Low | 70.1 | Confident | 166 Ų | 166 | 76.7 Ų | 76.7 | 78% | 0.776 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -26.9 | -179.1 | -63.6 | 151.5 | 142.7 | 0 | 0 | 112.2 | S2 | S2-E4 WeakPolarHBondContact CB-OE2 3.5Å; S2-E4 PolarHBondContact O-N 3.43Å; S2-E4 PolarHBondContact OG-OE2 3.15Å |
| 5 | L | 66.6 | Low | 71 | Confident | 14 Ų | 14 | 74.5 Ų | 74.5 | 7% | 0.073 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -84.1 | -11.6 | -179.4 | -87.3 | 158.6 | 0 | 0 | 0 | 114.6 | Y50 F51 E106 Q108 V109 | L5-Y50 WeakPolarHBondContact O-CE1 3.47Å; L5-Y50 PolarHBondContact O-OH 2.73Å; L5-F51 HydrophobicContact CD2-CE1 4.3Å; L5-E106 WeakPolarHBondContact CD2-OE2 3.41Å; L5-Q108 HydrophobicContact CD1-CB 3.85Å; L5-Q108 HydrophobicContact CD1-CG 3.46Å; L5-Q108 VanDerWaalsContact CD1-CG 3.46Å; L5-V109 HydrophobicContact CD2-CG2 3.84Å |
| 6 | C | 68.4 | Low | 71.6 | Confident | 6 Ų | 6 | 71.2 Ų | 71.2 | 4% | 0.041 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -115.8 | 115.9 | 178.4 | -67.3 | 0 | 0 | 0 | 0 | 109.8 | M1 P8 F11 C16 | M1-C6 VanDerWaalsContact CE-SG 3.57Å; C6-P8 VanDerWaalsContact O-CD 3.29Å; C6-P8 WeakPolarHBondContact O-CD 3.23Å; C6-F11 HydrophobicContact CB-CD2 4.37Å; C6-C16 WeakPolarHBondContact CB-SG 3.39Å |
| 7 | D | 76.1 | Confident | 72 | Confident | 67 Ų | 67 | 69.6 Ų | 69.6 | 36% | 0.358 | 41% | 0.41 | S | S | . | . | trans | -61 | 116.9 | 171 | 179.4 | 2.1 | 0 | 0 | 0 | 110.4 | G9 I10 F11 Y50 | D7-G9 PolarHBondContact O-N 3Å; D7-G9 WeakPolarHBondContact OD1-CA 3.44Å; D7-G9 PolarHBondContact OD1-N 3.03Å; D7-I10 HydrophobicContact CB-CB 4.26Å; D7-I10 HydrophobicContact CB-CD1 4.14Å; D7-I10 HydrophobicContact CB-CG1 4.21Å; D7-I10 PolarHBondContact O-N 2.86Å; D7-I10 WeakPolarHBondContact OD2-CD1 3.39Å; D7-I10 WeakPolarHBondContact OD2-CG1 3.48Å; D7-F11 PolarHBondContact O-N 3.22Å; D7-Y50 HydrophobicContact CB-CE2 4.01Å; D7-Y50 PolarHBondContact N-OH 3.49Å | ||
| 8 | P | 70.3 | Confident | 72.5 | Confident | 107 Ų | 107 | 68.4 Ų | 68.4 | 70% | 0.695 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -10 | 177.8 | 30.5 | -36.5 | 0 | 0 | 0 | 113.5 | C6 I10 | C6-P8 VanDerWaalsContact O-CD 3.29Å; C6-P8 WeakPolarHBondContact O-CD 3.23Å; P8-I10 VanDerWaalsContact C-N 3.34Å |
| 9 | G | 75.6 | Confident | 73.1 | Confident | 70 Ų | 70 | 64.8 Ų | 64.8 | 72% | 0.722 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -19.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D7 | D7-G9 PolarHBondContact O-N 3Å; D7-G9 WeakPolarHBondContact OD1-CA 3.44Å; D7-G9 PolarHBondContact OD1-N 3.03Å |
| 10 | I | 80.1 | Confident | 73.3 | Confident | 68 Ų | 68 | 64.8 Ų | 64.8 | 35% | 0.349 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -40.9 | -178.2 | -62.8 | 174.9 | 0 | 0 | 0 | 111.3 | D7 P8 K46 Y50 | D7-I10 HydrophobicContact CB-CB 4.26Å; D7-I10 HydrophobicContact CB-CD1 4.14Å; D7-I10 HydrophobicContact CB-CG1 4.21Å; D7-I10 PolarHBondContact O-N 2.86Å; D7-I10 WeakPolarHBondContact OD2-CD1 3.39Å; D7-I10 WeakPolarHBondContact OD2-CG1 3.48Å; P8-I10 VanDerWaalsContact C-N 3.34Å; I10-K46 WeakPolarHBondContact O-CE 3.29Å; I10-K46 PolarHBondContact O-NZ 3.07Å; I10-Y50 HydrophobicContact CD1-CD2 3.66Å; I10-Y50 HydrophobicContact CD1-CE2 3.73Å |
| 11 | F | 85.8 | Confident | 73.5 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.018 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -117.4 | 137.2 | -177.4 | -59.2 | -81 | 0 | 0 | 0 | 111.7 | C6 D7 D15 C16 L19 L43 K46 A47 Y50 | C6-F11 HydrophobicContact CB-CD2 4.37Å; D7-F11 PolarHBondContact O-N 3.22Å; F11-D15 HydrophobicContact CB-CB 4.03Å; F11-D15 HydrophobicContact CD1-CB 4.22Å; F11-C16 VanDerWaalsContact CB-SG 3.6Å; F11-L19 HydrophobicContact CD1-CD1 3.92Å; F11-L19 HydrophobicContact CE1-CD1 4.04Å; F11-L43 HydrophobicContact CD1-CD1 4Å; F11-L43 HydrophobicContact CE1-CD1 4.11Å; F11-K46 HydrophobicContact CE1-CD 4.01Å; F11-K46 HydrophobicContact CE1-CG 3.98Å; F11-K46 HydrophobicContact CZ-CG 4.28Å; F11-A47 HydrophobicContact CE1-CB 4.41Å; F11-A47 HydrophobicContact CZ-CB 4.43Å; F11-Y50 AromaticContact CE2-CD1 3.61Å; F11-Y50 HydrophobicContact CE2-CD1 3.61Å; F11-Y50 HydrophobicContact CE2-CD2 4.07Å; F11-Y50 AromaticContact CE2-CE1 3.98Å; F11-Y50 HydrophobicContact CE2-CE1 3.98Å; F11-Y50 HydrophobicContact CE2-CE2 4.43Å; F11-Y50 AromaticContact CE2-CG 3.63Å; F11-Y50 HydrophobicContact CE2-CG 3.63Å; F11-Y50 HydrophobicContact CZ-CD1 4.14Å; F11-Y50 HydrophobicContact CZ-CG 4.04Å |
| 12 | S | 85 | Confident | 74.8 | Confident | 52 Ų | 52 | 65.8 Ų | 65.8 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | trans | -73.9 | 162.6 | 171.5 | 70.1 | 0 | 0 | 0 | 0 | 111.4 | E14 D15 C16 | S12-E14 PolarHBondContact O-N 2.98Å; S12-D15 VanDerWaalsContact CB-OD2 3.31Å; S12-D15 WeakPolarHBondContact CB-OD2 3.27Å; S12-D15 PolarHBondContact N-OD2 3.27Å; S12-D15 WeakPolarHBondContact O-CB 3.18Å; S12-D15 PolarHBondContact O-N 2.97Å; S12-D15 VanDerWaalsContact O-N 3.09Å; S12-D15 PolarHBondContact OG-N 2.87Å; S12-D15 VanDerWaalsContact OG-N 3.1Å; S12-D15 PolarHBondContact OG-OD2 3.28Å; S12-C16 PolarHBondContact O-N 2.99Å; S12-C16 PolarHBondContact O-SG 2.85Å | ||
| 13 | N | 79.5 | Confident | 76.3 | Confident | 135 Ų | 135 | 64.6 Ų | 64.6 | 72% | 0.722 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -58.9 | -29.2 | 174.3 | -72.5 | -17.6 | 0 | 0 | 0 | 112.7 | A17 | N13-A17 VanDerWaalsContact O-CB 3.28Å; N13-A17 WeakPolarHBondContact O-CB 3.41Å; N13-A17 PolarHBondContact O-N 3.34Å |
| 14 | E | 82.8 | Confident | 77.8 | Confident | 162 Ų | 162 | 58.6 Ų | 58.6 | 76% | 0.757 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -73.9 | -41 | 174.7 | -63.6 | -173.3 | 140.4 | 0 | 0 | 111.6 | S12 A17 L18 | S12-E14 PolarHBondContact O-N 2.98Å; E14-A17 PolarHBondContact O-N 2.98Å; E14-L18 WeakPolarHBondContact O-CB 3.35Å; E14-L18 PolarHBondContact O-N 3.35Å |
| 15 | D | 83.9 | Confident | 79 | Confident | 43 Ų | 43 | 51.1 Ų | 51.1 | 23% | 0.23 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 171.9 | -65.4 | -52.6 | 0 | 0 | 0 | 111 | F11 S12 A17 L18 L19 L43 | F11-D15 HydrophobicContact CB-CB 4.03Å; F11-D15 HydrophobicContact CD1-CB 4.22Å; S12-D15 VanDerWaalsContact CB-OD2 3.31Å; S12-D15 WeakPolarHBondContact CB-OD2 3.27Å; S12-D15 PolarHBondContact N-OD2 3.27Å; S12-D15 WeakPolarHBondContact O-CB 3.18Å; S12-D15 PolarHBondContact O-N 2.97Å; S12-D15 VanDerWaalsContact O-N 3.09Å; S12-D15 PolarHBondContact OG-N 2.87Å; S12-D15 VanDerWaalsContact OG-N 3.1Å; S12-D15 PolarHBondContact OG-OD2 3.28Å; D15-A17 PolarHBondContact O-N 2.84Å; D15-L18 PolarHBondContact O-N 3.01Å; D15-L19 WeakPolarHBondContact O-CB 3.42Å; D15-L19 WeakPolarHBondContact O-CG 3.37Å; D15-L19 PolarHBondContact O-N 3.38Å; D15-L43 HydrophobicContact CB-CD1 3.91Å; D15-L43 HydrophobicContact CB-CD2 4.23Å; D15-L43 WeakPolarHBondContact OD1-CD1 3.41Å |
| 16 | C | 81 | Confident | 79.7 | Confident | 22 Ų | 22 | 53 Ų | 53 | 15% | 0.149 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 177.9 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | C6 F11 S12 L18 S20 | C6-C16 WeakPolarHBondContact CB-SG 3.39Å; F11-C16 VanDerWaalsContact CB-SG 3.6Å; S12-C16 PolarHBondContact O-N 2.99Å; S12-C16 PolarHBondContact O-SG 2.85Å; C16-L18 VanDerWaalsContact C-N 3.32Å; C16-L18 PolarHBondContact O-N 3.03Å; C16-S20 VanDerWaalsContact O-CB 3.29Å; C16-S20 WeakPolarHBondContact O-CB 3.46Å; C16-S20 PolarHBondContact O-N 3.35Å |
| 17 | A | 78.3 | Confident | 80.1 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 37% | 0.372 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64 | -37.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | N13 E14 D15 S20 Q21 | N13-A17 VanDerWaalsContact O-CB 3.28Å; N13-A17 WeakPolarHBondContact O-CB 3.41Å; N13-A17 PolarHBondContact O-N 3.34Å; E14-A17 PolarHBondContact O-N 2.98Å; D15-A17 PolarHBondContact O-N 2.84Å; A17-S20 PolarHBondContact O-OG 2.68Å; A17-Q21 PolarHBondContact O-NE2 3.09Å |
| 18 | L | 81.3 | Confident | 79.6 | Confident | 48 Ų | 48 | 52.1 Ų | 52.1 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -74 | -46.4 | 178.8 | -170 | 61.3 | 0 | 0 | 0 | 111.9 | E14 D15 C16 S20 Q21 L22 R40 L43 | E14-L18 WeakPolarHBondContact O-CB 3.35Å; E14-L18 PolarHBondContact O-N 3.35Å; D15-L18 PolarHBondContact O-N 3.01Å; C16-L18 VanDerWaalsContact C-N 3.32Å; C16-L18 PolarHBondContact O-N 3.03Å; L18-S20 PolarHBondContact O-N 3Å; L18-Q21 WeakPolarHBondContact O-CB 3.37Å; L18-Q21 PolarHBondContact O-N 3.38Å; L18-L22 WeakPolarHBondContact O-CG 3.33Å; L18-L22 PolarHBondContact O-N 3.45Å; L18-R40 HydrophobicContact CD2-CG 4.34Å; L18-L43 HydrophobicContact CB-CD2 4.43Å; L18-L43 HydrophobicContact CD2-CD2 3.99Å; L18-L43 HydrophobicContact CG-CD2 4.49Å |
| 19 | L | 82.8 | Confident | 79.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.7 | -31.4 | 173.1 | -72.4 | 165.3 | 0 | 0 | 0 | 112 | M1 F11 D15 Q21 L22 L43 L44 A47 F116 | M1-L19 HydrophobicContact CE-CB 4.18Å; M1-L19 HydrophobicContact CE-CD1 4.42Å; M1-L19 HydrophobicContact SD-CB 3.49Å; M1-L19 WeakPolarHBondContact SD-CB 3.42Å; F11-L19 HydrophobicContact CD1-CD1 3.92Å; F11-L19 HydrophobicContact CE1-CD1 4.04Å; D15-L19 WeakPolarHBondContact O-CB 3.42Å; D15-L19 WeakPolarHBondContact O-CG 3.37Å; D15-L19 PolarHBondContact O-N 3.38Å; L19-Q21 PolarHBondContact O-N 3.02Å; L19-L22 HydrophobicContact CD2-CD1 4.33Å; L19-L22 PolarHBondContact O-N 3.16Å; L19-L43 HydrophobicContact CD1-CD1 4.06Å; L19-L43 HydrophobicContact CD1-CG 4.22Å; L19-L43 HydrophobicContact CD2-CD2 4.48Å; L19-L43 HydrophobicContact CD2-CG 4.13Å; L19-L43 HydrophobicContact CG-CD1 4.45Å; L19-L43 HydrophobicContact CG-CD2 4.08Å; L19-L43 HydrophobicContact CG-CG 4.07Å; L19-L44 HydrophobicContact CD2-CD2 4.46Å; L19-A47 HydrophobicContact CD1-CB 4.11Å; L19-A47 HydrophobicContact CD2-CB 3.74Å; L19-F116 HydrophobicContact CB-CZ 4.3Å; L19-F116 HydrophobicContact CD2-CE1 3.96Å; L19-F116 HydrophobicContact CD2-CE2 4.2Å; L19-F116 HydrophobicContact CD2-CZ 3.75Å |
| 20 | S | 77.5 | Confident | 79.3 | Confident | 63 Ų | 63 | 48.5 Ų | 48.5 | 44% | 0.441 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18.1 | 173.9 | 84.3 | 0 | 0 | 0 | 0 | 114.3 | C16 A17 L18 | C16-S20 VanDerWaalsContact O-CB 3.29Å; C16-S20 WeakPolarHBondContact O-CB 3.46Å; C16-S20 PolarHBondContact O-N 3.35Å; A17-S20 PolarHBondContact O-OG 2.68Å; L18-S20 PolarHBondContact O-N 3Å |
| 21 | Q | 76.5 | Confident | 78.9 | Confident | 131 Ų | 131 | 47.4 Ų | 47.4 | 61% | 0.612 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -12.9 | 177.2 | -64.9 | 166.5 | 65.1 | 0 | 0 | 113 | A17 L18 L19 D23 | A17-Q21 PolarHBondContact O-NE2 3.09Å; L18-Q21 WeakPolarHBondContact O-CB 3.37Å; L18-Q21 PolarHBondContact O-N 3.38Å; L19-Q21 PolarHBondContact O-N 3.02Å; Q21-D23 PolarHBondContact O-N 3.02Å |
| 22 | L | 78.5 | Confident | 78.4 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | trans | -90.4 | 96.7 | 179.9 | -68.3 | 171.8 | 0 | 0 | 0 | 109.7 | L18 L19 E26 L44 F116 L119 | L18-L22 WeakPolarHBondContact O-CG 3.33Å; L18-L22 PolarHBondContact O-N 3.45Å; L19-L22 HydrophobicContact CD2-CD1 4.33Å; L19-L22 PolarHBondContact O-N 3.16Å; L22-E26 HydrophobicContact CD2-CB 4.5Å; L22-E26 HydrophobicContact CD2-CG 4.27Å; L22-L44 HydrophobicContact CD1-CD1 4.48Å; L22-L44 HydrophobicContact CD1-CD2 4.03Å; L22-L44 HydrophobicContact CD1-CG 4.16Å; L22-F116 HydrophobicContact CB-CE1 4.2Å; L22-F116 WeakPolarHBondContact O-CE1 3.38Å; L22-L119 HydrophobicContact CB-CD1 4.07Å; L22-L119 HydrophobicContact CD2-CD1 4.39Å | ||
| 23 | D | 83.4 | Confident | 77.8 | Confident | 24 Ų | 24 | 50.3 Ų | 50.3 | 13% | 0.128 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -123.6 | -173.4 | 171.1 | 87 | -12.1 | 0 | 0 | 0 | 111.3 | Q21 L25 E26 S146 P811 | Q21-D23 PolarHBondContact O-N 3.02Å; D23-L25 PolarHBondContact O-N 2.84Å; D23-L25 WeakPolarHBondContact OD1-CA 3.28Å; D23-L25 WeakPolarHBondContact OD1-CB 3.41Å; D23-L25 WeakPolarHBondContact OD1-CG 3.28Å; D23-L25 PolarHBondContact OD1-N 3.05Å; D23-E26 PolarHBondContact O-N 2.55Å; D23-S146 WeakPolarHBondContact OD2-CB 3.49Å; D23-S146 PolarHBondContact OD2-OG 3.3Å; D23-P811 WeakPolarHBondContact OD2-CG 3.14Å |
| 24 | S | 82.6 | Confident | 77.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -51.3 | -24.5 | 176.7 | 67 | 0 | 0 | 0 | 0 | 115.6 | E26 F27 S146 Y149 | S24-E26 VanDerWaalsContact C-N 3.3Å; S24-E26 PolarHBondContact O-N 2.6Å; S24-F27 WeakPolarHBondContact O-CB 3.28Å; S24-F27 PolarHBondContact O-N 3.38Å; S24-S146 WeakPolarHBondContact CB-O 3.34Å; S24-S146 WeakPolarHBondContact OG-CA 3.4Å; S24-S146 VanDerWaalsContact OG-CB 3.28Å; S24-S146 WeakPolarHBondContact OG-CB 3.46Å; S24-S146 PolarHBondContact OG-O 3.25Å; S24-Y149 WeakPolarHBondContact O-CE1 3.4Å |
| 25 | L | 83.2 | Confident | 77.2 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 5% | 0.047 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -72.1 | -27.1 | -175.9 | -56 | 178 | 0 | 0 | 0 | 111.4 | D23 F27 Y149 F178 P179 K180 T809 P811 | D23-L25 PolarHBondContact O-N 2.84Å; D23-L25 WeakPolarHBondContact OD1-CA 3.28Å; D23-L25 WeakPolarHBondContact OD1-CB 3.41Å; D23-L25 WeakPolarHBondContact OD1-CG 3.28Å; D23-L25 PolarHBondContact OD1-N 3.05Å; L25-F27 PolarHBondContact O-N 3.36Å; L25-Y149 HydrophobicContact CD2-CD1 3.98Å; L25-Y149 HydrophobicContact CD2-CE1 4.34Å; L25-F178 HydrophobicContact CD2-CE1 4.14Å; L25-F178 HydrophobicContact CD2-CE2 3.77Å; L25-F178 HydrophobicContact CD2-CZ 3.34Å; L25-P179 HydrophobicContact CD1-CG 3.79Å; L25-P179 HydrophobicContact CD2-CG 4.18Å; L25-K180 HydrophobicContact CD2-CG 4Å; L25-K180 WeakPolarHBondContact O-CE 3.36Å; L25-K180 PolarHBondContact O-NZ 2.95Å; L25-T809 VanDerWaalsContact CD1-O 3.26Å; L25-T809 WeakPolarHBondContact CD1-O 3.29Å; L25-P811 HydrophobicContact CD1-CG 3.89Å |
| 26 | E | 81.1 | Confident | 76.5 | Confident | 54 Ų | 54 | 49.3 Ų | 49.3 | 25% | 0.252 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -71.3 | -11.3 | 176.3 | -71.6 | -61.7 | 101.4 | 0 | 0 | 112.8 | L22 D23 S24 G28 V29 F30 L119 | L22-E26 HydrophobicContact CD2-CB 4.5Å; L22-E26 HydrophobicContact CD2-CG 4.27Å; D23-E26 PolarHBondContact O-N 2.55Å; S24-E26 VanDerWaalsContact C-N 3.3Å; S24-E26 PolarHBondContact O-N 2.6Å; E26-G28 PolarHBondContact O-N 2.93Å; E26-V29 PolarHBondContact O-N 2.68Å; E26-F30 HydrophobicContact CB-CB 4.23Å; E26-F30 WeakPolarHBondContact O-CB 3.24Å; E26-F30 PolarHBondContact O-N 3.37Å; E26-L119 HydrophobicContact CB-CD2 3.87Å |
| 27 | F | 76.9 | Confident | 76.3 | Confident | 29 Ų | 29 | 48.5 Ų | 48.5 | 13% | 0.127 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -56.8 | 127.8 | 175.2 | -172.8 | -92.3 | 0 | 0 | 0 | 111.7 | S24 L25 V29 L118 L119 N121 F123 L153 | S24-F27 WeakPolarHBondContact O-CB 3.28Å; S24-F27 PolarHBondContact O-N 3.38Å; L25-F27 PolarHBondContact O-N 3.36Å; F27-V29 PolarHBondContact O-N 3.02Å; F27-L118 HydrophobicContact CD2-CD1 3.81Å; F27-L118 HydrophobicContact CD2-CG 3.8Å; F27-L118 HydrophobicContact CE2-CD1 3.82Å; F27-L118 HydrophobicContact CE2-CG 4.3Å; F27-L118 HydrophobicContact CG-CG 4.41Å; F27-L119 HydrophobicContact CB-CD2 4.23Å; F27-N121 WeakPolarHBondContact CE2-OD1 3.22Å; F27-F123 HydrophobicContact CE2-CE1 4.13Å; F27-F123 HydrophobicContact CE2-CZ 4.01Å; F27-F123 HydrophobicContact CZ-CE1 4.02Å; F27-F123 AromaticContact CZ-CZ 3.84Å; F27-F123 HydrophobicContact CZ-CZ 3.84Å; F27-L153 HydrophobicContact CB-CD1 4.13Å; F27-L153 HydrophobicContact CD1-CD1 3.59Å; F27-L153 HydrophobicContact CD1-CD2 4.34Å; F27-L153 HydrophobicContact CE1-CD1 4.24Å; F27-L153 HydrophobicContact CE1-CD2 4.38Å; F27-L153 HydrophobicContact CG-CD1 3.91Å |
| 28 | G | 65.8 | Low | 76.5 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 26% | 0.258 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | -16.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | E26 | E26-G28 PolarHBondContact O-N 2.93Š|
| 29 | V | 69.3 | Low | 76.5 | Confident | 81 Ų | 81 | 54.2 Ų | 54.2 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -50.9 | 169.9 | 174.4 | 0 | 0 | 0 | 0 | 109.6 | E26 F27 K180 | E26-V29 PolarHBondContact O-N 2.68Å; F27-V29 PolarHBondContact O-N 3.02Å; V29-K180 VanDerWaalsContact CG2-NZ 3.27Å |
| 30 | F | 70.5 | Confident | 76.6 | Confident | 20 Ų | 20 | 59.2 Ų | 59.2 | 9% | 0.088 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -73.6 | 129.4 | 167.3 | -178.1 | -115.7 | 0 | 0 | 0 | 110 | E26 V32 A37 R40 L44 L119 | E26-F30 HydrophobicContact CB-CB 4.23Å; E26-F30 WeakPolarHBondContact O-CB 3.24Å; E26-F30 PolarHBondContact O-N 3.37Å; F30-V32 HydrophobicContact CD1-CG2 3.99Å; F30-V32 HydrophobicContact CE1-CG2 3.37Å; F30-V32 HydrophobicContact CZ-CG2 4.11Å; F30-A37 HydrophobicContact CD2-CB 4.35Å; F30-A37 HydrophobicContact CE2-CB 3.53Å; F30-A37 HydrophobicContact CZ-CB 3.98Å; F30-R40 HydrophobicContact CE2-CB 3.52Å; F30-R40 HydrophobicContact CE2-CG 4.26Å; F30-R40 HydrophobicContact CZ-CB 3.64Å; F30-L44 HydrophobicContact CD1-CD1 4.09Å; F30-L44 HydrophobicContact CE1-CD1 3.34Å; F30-L44 HydrophobicContact CZ-CD1 3.95Å; F30-L119 HydrophobicContact CD1-CB 4.43Å; F30-L119 HydrophobicContact CD1-CD2 4.5Å |
| 31 | K | 71.8 | Confident | 77.1 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | trans | -126 | 98.9 | -172.6 | -65 | 171.1 | -168.4 | 174.7 | 0 | 109.2 | D33 T34 A37 G679 N680 L681 | K31-D33 PolarHBondContact O-N 3.39Å; K31-T34 HydrophobicContact CB-CG2 3.74Å; K31-T34 HydrophobicContact CD-CG2 4.37Å; K31-T34 PolarHBondContact O-N 3.49Å; K31-T34 VanDerWaalsContact O-N 3.09Å; K31-T34 PolarHBondContact O-OG1 3.47Å; K31-A37 WeakPolarHBondContact O-CB 3.31Å; K31-G679 PolarHBondContact NZ-O 2.91Å; K31-N680 WeakPolarHBondContact CD-O 3.38Å; K31-N680 WeakPolarHBondContact CE-O 3.23Å; K31-N680 VanDerWaalsContact NZ-C 3.3Å; K31-N680 PolarHBondContact NZ-O 3.29Å; K31-L681 HydrophobicContact CD-CD2 4.22Å; K31-L681 HydrophobicContact CG-CD2 4.4Å | ||
| 32 | V | 73.9 | Confident | 77.7 | Confident | 9 Ų | 9 | 57.5 Ų | 57.5 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -21.6 | -169 | 151.7 | 0 | 0 | 0 | 0 | 115.4 | F30 R41 L119 L120 | F30-V32 HydrophobicContact CD1-CG2 3.99Å; F30-V32 HydrophobicContact CE1-CG2 3.37Å; F30-V32 HydrophobicContact CZ-CG2 4.11Å; V32-R41 HydrophobicContact CG1-CG 4.16Å; V32-R41 PolarHBondContact O-NH1 3.13Å; V32-L119 WeakPolarHBondContact CG2-O 3.35Å; V32-L120 HydrophobicContact CG2-CD2 4.09Å |
| 33 | D | 73.6 | Confident | 78.2 | Confident | 108 Ų | 108 | 57.9 Ų | 57.9 | 58% | 0.578 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 4.5 | -176.8 | -53.5 | -69.7 | 0 | 0 | 0 | 114 | K31 R41 | K31-D33 PolarHBondContact O-N 3.39Å; D33-R41 IonicContact OD1-CZ 3.37Å; D33-R41 IonicContact OD1-NH1 2.73Å; D33-R41 PolarHBondContact OD1-NH1 3.49Å; D33-R41 IonicContact OD1-NH2 3.18Å |
| 34 | T | 76.2 | Confident | 78.4 | Confident | 39 Ų | 39 | 56.8 Ų | 56.8 | 24% | 0.239 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -79.4 | 147.9 | 170.5 | 70.3 | 0 | 0 | 0 | 0 | 111.7 | K31 E36 A37 | K31-T34 HydrophobicContact CB-CG2 3.74Å; K31-T34 HydrophobicContact CD-CG2 4.37Å; K31-T34 PolarHBondContact O-N 3.49Å; K31-T34 VanDerWaalsContact O-N 3.09Å; K31-T34 PolarHBondContact O-OG1 3.47Å; T34-E36 VanDerWaalsContact C-N 3.27Å; T34-E36 PolarHBondContact O-N 3.47Å; T34-A37 WeakPolarHBondContact O-CB 3.39Å; T34-A37 PolarHBondContact O-N 2.85Å; T34-A37 WeakPolarHBondContact OG1-CB 3.49Å; T34-A37 PolarHBondContact OG1-N 2.74Å |
| 35 | P | 73 | Confident | 78.9 | Confident | 111 Ų | 111 | 59.4 Ų | 59.4 | 72% | 0.721 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -59.4 | -36.4 | 178.5 | -25 | 35.2 | 0 | 0 | 0 | 113.3 | A37 H38 | P35-A37 PolarHBondContact O-N 2.88Å; P35-H38 WeakPolarHBondContact O-CB 3.35Å; P35-H38 PolarHBondContact O-N 3.46Å |
| 36 | E | 68.8 | Low | 79.3 | Confident | 169 Ų | 169 | 63 Ų | 63 | 79% | 0.79 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -66.6 | -24.6 | 177.6 | -57.7 | 100.3 | -145.8 | 0 | 0 | 113.1 | T34 | T34-E36 VanDerWaalsContact C-N 3.27Å; T34-E36 PolarHBondContact O-N 3.47Å |
| 37 | A | 78.2 | Confident | 79.8 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -81.8 | -10.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | F30 K31 T34 P35 E39 R40 R41 | F30-A37 HydrophobicContact CD2-CB 4.35Å; F30-A37 HydrophobicContact CE2-CB 3.53Å; F30-A37 HydrophobicContact CZ-CB 3.98Å; K31-A37 WeakPolarHBondContact O-CB 3.31Å; T34-A37 WeakPolarHBondContact O-CB 3.39Å; T34-A37 PolarHBondContact O-N 2.85Å; T34-A37 WeakPolarHBondContact OG1-CB 3.49Å; T34-A37 PolarHBondContact OG1-N 2.74Å; P35-A37 PolarHBondContact O-N 2.88Å; A37-E39 PolarHBondContact O-N 3.01Å; A37-R40 WeakPolarHBondContact O-CB 3.32Å; A37-R40 PolarHBondContact O-N 2.88Å; A37-R41 PolarHBondContact O-N 3.28Å |
| 38 | H | 81.3 | Confident | 80.6 | Confident | 92 Ų | 92 | 59 Ų | 59 | 43% | 0.426 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58 | -41.1 | -165.1 | -173.2 | 60.2 | 0 | 0 | 0 | 114.7 | P35 R41 K42 | P35-H38 WeakPolarHBondContact O-CB 3.35Å; P35-H38 PolarHBondContact O-N 3.46Å; H38-R41 WeakPolarHBondContact O-CB 3.41Å; H38-R41 PolarHBondContact O-N 2.94Å; H38-K42 PolarHBondContact CD2-NZ 3Å; H38-K42 WeakPolarHBondContact NE2-CE 3.49Å; H38-K42 PolarHBondContact NE2-NZ 3.38Å; H38-K42 WeakPolarHBondContact O-CG 3.17Å; H38-K42 PolarHBondContact O-N 2.94Å; H38-K42 VanDerWaalsContact O-N 3.09Å |
| 39 | E | 82.2 | Confident | 81.9 | Confident | 122 Ų | 122 | 63 Ų | 63 | 57% | 0.57 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -73.7 | -35.2 | 177 | -59.1 | -49 | 124.6 | 0 | 0 | 112.5 | A37 R41 K42 L43 | A37-E39 PolarHBondContact O-N 3.01Å; E39-R41 VanDerWaalsContact C-N 3.32Å; E39-R41 PolarHBondContact O-N 3.31Å; E39-K42 VanDerWaalsContact CD-NZ 3.29Å; E39-K42 PolarHBondContact O-N 2.94Å; E39-K42 IonicContact OE1-NZ 2.72Å; E39-K42 PolarHBondContact OE1-NZ 2.87Å; E39-K42 WeakPolarHBondContact OE2-CD 3.27Å; E39-K42 IonicContact OE2-NZ 3.39Å; E39-K42 PolarHBondContact OE2-NZ 2.65Å; E39-K42 VanDerWaalsContact OE2-NZ 3.12Å; E39-L43 PolarHBondContact O-N 2.69Å |
| 40 | R | 83.5 | Confident | 83.1 | Confident | 105 Ų | 105 | 60.8 Ų | 60.8 | 40% | 0.396 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.9 | -37.2 | 172.2 | -70 | -173.1 | 179.9 | -169.5 | 0.9 | 111.5 | L18 F30 A37 L43 L44 | L18-R40 HydrophobicContact CD2-CG 4.34Å; F30-R40 HydrophobicContact CE2-CB 3.52Å; F30-R40 HydrophobicContact CE2-CG 4.26Å; F30-R40 HydrophobicContact CZ-CB 3.64Å; A37-R40 WeakPolarHBondContact O-CB 3.32Å; A37-R40 PolarHBondContact O-N 2.88Å; R40-L43 PolarHBondContact O-N 3.32Å; R40-L44 WeakPolarHBondContact O-CG 3.25Å; R40-L44 PolarHBondContact O-N 3.01Å |
| 41 | R | 88.1 | Confident | 84.1 | Confident | 69 Ų | 69 | 59.9 Ų | 59.9 | 26% | 0.26 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.2 | -49.6 | 174.1 | -175.6 | -166 | -173.4 | 130.4 | 2.9 | 111.1 | V32 D33 A37 H38 E39 L43 L44 E45 L120 | V32-R41 HydrophobicContact CG1-CG 4.16Å; V32-R41 PolarHBondContact O-NH1 3.13Å; D33-R41 IonicContact OD1-CZ 3.37Å; D33-R41 IonicContact OD1-NH1 2.73Å; D33-R41 PolarHBondContact OD1-NH1 3.49Å; D33-R41 IonicContact OD1-NH2 3.18Å; A37-R41 PolarHBondContact O-N 3.28Å; H38-R41 WeakPolarHBondContact O-CB 3.41Å; H38-R41 PolarHBondContact O-N 2.94Å; E39-R41 VanDerWaalsContact C-N 3.32Å; E39-R41 PolarHBondContact O-N 3.31Å; R41-L43 VanDerWaalsContact C-N 3.28Å; R41-L43 PolarHBondContact O-N 3.37Å; R41-L44 PolarHBondContact O-N 3.33Å; R41-E45 HydrophobicContact CG-CG 4.41Å; R41-E45 WeakPolarHBondContact CG-OE1 3.48Å; R41-E45 IonicContact CZ-OE1 3.32Å; R41-E45 IonicContact NE-OE1 3.4Å; R41-E45 PolarHBondContact NE-OE1 3.43Å; R41-E45 IonicContact NH2-OE1 3.9Å; R41-E45 WeakPolarHBondContact O-CB 3.44Å; R41-E45 WeakPolarHBondContact O-CG 3.48Å; R41-E45 PolarHBondContact O-N 3.39Å; R41-L120 HydrophobicContact CG-CD2 4.02Å |
| 42 | K | 89.2 | Confident | 85.1 | Confident | 88 Ų | 88 | 60.5 Ų | 60.5 | 38% | 0.383 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.8 | -40.8 | 174.7 | -71.7 | 172 | -172.6 | 159.7 | 0 | 112.4 | H38 E39 E45 K46 | H38-K42 PolarHBondContact CD2-NZ 3Å; H38-K42 WeakPolarHBondContact NE2-CE 3.49Å; H38-K42 PolarHBondContact NE2-NZ 3.38Å; H38-K42 WeakPolarHBondContact O-CG 3.17Å; H38-K42 PolarHBondContact O-N 2.94Å; H38-K42 VanDerWaalsContact O-N 3.09Å; E39-K42 VanDerWaalsContact CD-NZ 3.29Å; E39-K42 PolarHBondContact O-N 2.94Å; E39-K42 IonicContact OE1-NZ 2.72Å; E39-K42 PolarHBondContact OE1-NZ 2.87Å; E39-K42 WeakPolarHBondContact OE2-CD 3.27Å; E39-K42 IonicContact OE2-NZ 3.39Å; E39-K42 PolarHBondContact OE2-NZ 2.65Å; E39-K42 VanDerWaalsContact OE2-NZ 3.12Å; K42-E45 PolarHBondContact O-N 3.17Å; K42-K46 VanDerWaalsContact O-CB 3.23Å; K42-K46 WeakPolarHBondContact O-CB 3.38Å; K42-K46 PolarHBondContact O-N 3.16Å |
| 43 | L | 88.7 | Confident | 86 | Confident | 13 Ų | 13 | 63.2 Ų | 63.2 | 7% | 0.068 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66 | -39.8 | 178.3 | -177.9 | 59 | 0 | 0 | 0 | 111.7 | F11 D15 L18 L19 E39 R40 R41 A47 | F11-L43 HydrophobicContact CD1-CD1 4Å; F11-L43 HydrophobicContact CE1-CD1 4.11Å; D15-L43 HydrophobicContact CB-CD1 3.91Å; D15-L43 HydrophobicContact CB-CD2 4.23Å; D15-L43 WeakPolarHBondContact OD1-CD1 3.41Å; L18-L43 HydrophobicContact CB-CD2 4.43Å; L18-L43 HydrophobicContact CD2-CD2 3.99Å; L18-L43 HydrophobicContact CG-CD2 4.49Å; L19-L43 HydrophobicContact CD1-CD1 4.06Å; L19-L43 HydrophobicContact CD1-CG 4.22Å; L19-L43 HydrophobicContact CD2-CD2 4.48Å; L19-L43 HydrophobicContact CD2-CG 4.13Å; L19-L43 HydrophobicContact CG-CD1 4.45Å; L19-L43 HydrophobicContact CG-CD2 4.08Å; L19-L43 HydrophobicContact CG-CG 4.07Å; E39-L43 PolarHBondContact O-N 2.69Å; R40-L43 PolarHBondContact O-N 3.32Å; R41-L43 VanDerWaalsContact C-N 3.28Å; R41-L43 PolarHBondContact O-N 3.37Å; L43-A47 VanDerWaalsContact O-CB 3.28Å; L43-A47 WeakPolarHBondContact O-CB 3.08Å; L43-A47 PolarHBondContact O-N 3.06Å |
| 44 | L | 89.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 172.9 | -76.7 | 164.7 | 0 | 0 | 0 | 112.4 | L19 L22 F30 R40 R41 A47 V48 F116 L119 L120 | L19-L44 HydrophobicContact CD2-CD2 4.46Å; L22-L44 HydrophobicContact CD1-CD1 4.48Å; L22-L44 HydrophobicContact CD1-CD2 4.03Å; L22-L44 HydrophobicContact CD1-CG 4.16Å; F30-L44 HydrophobicContact CD1-CD1 4.09Å; F30-L44 HydrophobicContact CE1-CD1 3.34Å; F30-L44 HydrophobicContact CZ-CD1 3.95Å; R40-L44 WeakPolarHBondContact O-CG 3.25Å; R40-L44 PolarHBondContact O-N 3.01Å; R41-L44 PolarHBondContact O-N 3.33Å; L44-A47 PolarHBondContact O-N 3.46Å; L44-V48 WeakPolarHBondContact O-CG2 3.41Å; L44-V48 PolarHBondContact O-N 3.42Å; L44-F116 HydrophobicContact CD2-CB 3.78Å; L44-F116 HydrophobicContact CD2-CD1 3.31Å; L44-F116 HydrophobicContact CD2-CE1 4.08Å; L44-F116 HydrophobicContact CD2-CG 3.7Å; L44-L119 HydrophobicContact CD1-CB 4.15Å; L44-L119 HydrophobicContact CD1-CD1 4.36Å; L44-L119 HydrophobicContact CD2-CD1 4.12Å; L44-L120 HydrophobicContact CB-CD1 4.29Å; L44-L120 HydrophobicContact CB-CD2 4.07Å; L44-L120 HydrophobicContact CB-CG 4.21Å |
| 45 | E | 92.3 | Very high | 87.4 | Confident | 56 Ų | 56 | 59.8 Ų | 59.8 | 26% | 0.262 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 176.6 | -72.5 | 167.8 | 171 | 0 | 0 | 110.4 | R41 K42 A47 V48 D49 L120 | R41-E45 HydrophobicContact CG-CG 4.41Å; R41-E45 WeakPolarHBondContact CG-OE1 3.48Å; R41-E45 IonicContact CZ-OE1 3.32Å; R41-E45 IonicContact NE-OE1 3.4Å; R41-E45 PolarHBondContact NE-OE1 3.43Å; R41-E45 IonicContact NH2-OE1 3.9Å; R41-E45 WeakPolarHBondContact O-CB 3.44Å; R41-E45 WeakPolarHBondContact O-CG 3.48Å; R41-E45 PolarHBondContact O-N 3.39Å; K42-E45 PolarHBondContact O-N 3.17Å; E45-A47 PolarHBondContact O-N 3Å; E45-V48 PolarHBondContact O-N 3.27Å; E45-D49 PolarHBondContact O-N 3.23Å; E45-L120 HydrophobicContact CG-CD1 3.87Å; E45-L120 HydrophobicContact CG-CD2 3.93Å |
| 46 | K | 92.4 | Very high | 88.3 | Confident | 83 Ų | 83 | 58.1 Ų | 58.1 | 36% | 0.361 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.8 | -36.7 | 173.2 | -179.7 | -173.9 | 170.2 | -168.2 | 0 | 113.5 | I10 F11 K42 Y50 | I10-K46 WeakPolarHBondContact O-CE 3.29Å; I10-K46 PolarHBondContact O-NZ 3.07Å; F11-K46 HydrophobicContact CE1-CD 4.01Å; F11-K46 HydrophobicContact CE1-CG 3.98Å; F11-K46 HydrophobicContact CZ-CG 4.28Å; K42-K46 VanDerWaalsContact O-CB 3.23Å; K42-K46 WeakPolarHBondContact O-CB 3.38Å; K42-K46 PolarHBondContact O-N 3.16Å; K46-Y50 WeakPolarHBondContact O-CB 3.43Å; K46-Y50 PolarHBondContact O-N 2.89Å; K46-Y50 VanDerWaalsContact O-N 3.13Å |
| 47 | A | 91.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.5 | -39.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F11 L19 L43 L44 E45 Y50 F51 F116 | F11-A47 HydrophobicContact CE1-CB 4.41Å; F11-A47 HydrophobicContact CZ-CB 4.43Å; L19-A47 HydrophobicContact CD1-CB 4.11Å; L19-A47 HydrophobicContact CD2-CB 3.74Å; L43-A47 VanDerWaalsContact O-CB 3.28Å; L43-A47 WeakPolarHBondContact O-CB 3.08Å; L43-A47 PolarHBondContact O-N 3.06Å; L44-A47 PolarHBondContact O-N 3.46Å; E45-A47 PolarHBondContact O-N 3Å; A47-Y50 PolarHBondContact O-N 3.3Å; A47-F51 WeakPolarHBondContact O-CD2 3.35Å; A47-F51 PolarHBondContact O-N 2.92Å; A47-F51 VanDerWaalsContact O-N 3.08Å; A47-F116 HydrophobicContact CB-CD2 3.84Å; A47-F116 HydrophobicContact CB-CE2 3.87Å |
| 48 | V | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60 | -53.3 | 171.6 | 165.3 | 0 | 0 | 0 | 0 | 110.7 | L44 E45 Y50 F51 D52 L113 F116 Q117 L120 | L44-V48 WeakPolarHBondContact O-CG2 3.41Å; L44-V48 PolarHBondContact O-N 3.42Å; E45-V48 PolarHBondContact O-N 3.27Å; V48-Y50 PolarHBondContact O-N 3.41Å; V48-Y50 VanDerWaalsContact O-N 3.17Å; V48-F51 PolarHBondContact O-N 3.28Å; V48-F51 VanDerWaalsContact O-N 3.09Å; V48-D52 WeakPolarHBondContact CG1-OD2 3.45Å; V48-D52 WeakPolarHBondContact O-CB 3.44Å; V48-D52 PolarHBondContact O-N 2.74Å; V48-L113 HydrophobicContact CB-CD1 4.4Å; V48-L113 HydrophobicContact CG1-CD1 4.1Å; V48-L113 HydrophobicContact CG2-CD1 4.22Å; V48-F116 HydrophobicContact CG2-CB 3.73Å; V48-Q117 VanDerWaalsContact CG1-NE2 3.27Å; V48-Q117 HydrophobicContact CG2-CG 4.16Å; V48-L120 HydrophobicContact CG2-CD1 3.99Å |
| 49 | D | 93.5 | Very high | 90.3 | Very high | 108 Ų | 108 | 54.5 Ų | 54.5 | 58% | 0.578 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -56.6 | -35.7 | -179.7 | -68.4 | -13.9 | 0 | 0 | 0 | 112.1 | E45 S53 | E45-D49 PolarHBondContact O-N 3.23Å; D49-S53 VanDerWaalsContact O-CB 3.25Å; D49-S53 WeakPolarHBondContact O-CB 3.38Å; D49-S53 PolarHBondContact O-N 2.95Å |
| 50 | Y | 93.7 | Very high | 90.7 | Very high | 36 Ų | 36 | 53.7 Ų | 53.7 | 14% | 0.141 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.6 | -46.4 | 175.2 | 169.3 | -106.1 | 0 | 0 | 0 | 113.2 | L5 D7 I10 F11 K46 A47 V48 S53 I54 | L5-Y50 WeakPolarHBondContact O-CE1 3.47Å; L5-Y50 PolarHBondContact O-OH 2.73Å; D7-Y50 HydrophobicContact CB-CE2 4.01Å; D7-Y50 PolarHBondContact N-OH 3.49Å; I10-Y50 HydrophobicContact CD1-CD2 3.66Å; I10-Y50 HydrophobicContact CD1-CE2 3.73Å; F11-Y50 AromaticContact CE2-CD1 3.61Å; F11-Y50 HydrophobicContact CE2-CD1 3.61Å; F11-Y50 HydrophobicContact CE2-CD2 4.07Å; F11-Y50 AromaticContact CE2-CE1 3.98Å; F11-Y50 HydrophobicContact CE2-CE1 3.98Å; F11-Y50 HydrophobicContact CE2-CE2 4.43Å; F11-Y50 AromaticContact CE2-CG 3.63Å; F11-Y50 HydrophobicContact CE2-CG 3.63Å; F11-Y50 HydrophobicContact CZ-CD1 4.14Å; F11-Y50 HydrophobicContact CZ-CG 4.04Å; K46-Y50 WeakPolarHBondContact O-CB 3.43Å; K46-Y50 PolarHBondContact O-N 2.89Å; K46-Y50 VanDerWaalsContact O-N 3.13Å; A47-Y50 PolarHBondContact O-N 3.3Å; V48-Y50 PolarHBondContact O-N 3.41Å; V48-Y50 VanDerWaalsContact O-N 3.17Å; Y50-S53 WeakPolarHBondContact O-CB 3.4Å; Y50-S53 PolarHBondContact O-N 2.98Å; Y50-I54 HydrophobicContact CD1-CD1 4.24Å; Y50-I54 HydrophobicContact CE1-CD1 3.72Å; Y50-I54 HydrophobicContact CE2-CD1 4.13Å; Y50-I54 PolarHBondContact O-N 3.04Å |
| 51 | F | 91.9 | Very high | 91 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.4 | -36.7 | 179.1 | -75.7 | -60.3 | 0 | 0 | 0 | 112.6 | M1 L5 A47 V48 S53 I54 I55 V109 L113 F116 | M1-F51 HydrophobicContact CE-CE2 3.48Å; M1-F51 VanDerWaalsContact CE-CE2 3.48Å; M1-F51 HydrophobicContact CE-CZ 3.62Å; L5-F51 HydrophobicContact CD2-CE1 4.3Å; A47-F51 WeakPolarHBondContact O-CD2 3.35Å; A47-F51 PolarHBondContact O-N 2.92Å; A47-F51 VanDerWaalsContact O-N 3.08Å; V48-F51 PolarHBondContact O-N 3.28Å; V48-F51 VanDerWaalsContact O-N 3.09Å; F51-S53 VanDerWaalsContact C-N 3.27Å; F51-S53 PolarHBondContact O-N 3.15Å; F51-I54 HydrophobicContact CD1-CD1 3.92Å; F51-I54 HydrophobicContact CE1-CD1 4.13Å; F51-I54 PolarHBondContact O-N 3.34Å; F51-I55 WeakPolarHBondContact O-CD1 3.24Å; F51-I55 WeakPolarHBondContact O-CG1 3.47Å; F51-I55 PolarHBondContact O-N 3.26Å; F51-I55 VanDerWaalsContact O-N 3.1Å; F51-V109 HydrophobicContact CB-CG1 4.12Å; F51-V109 HydrophobicContact CD1-CB 4.14Å; F51-V109 HydrophobicContact CD1-CG1 3.66Å; F51-V109 HydrophobicContact CD1-CG2 3.93Å; F51-V109 HydrophobicContact CE1-CG2 4.07Å; F51-V109 HydrophobicContact CG-CG1 4.22Å; F51-L113 HydrophobicContact CB-CB 4.48Å; F51-L113 HydrophobicContact CB-CD1 4.26Å; F51-F116 HydrophobicContact CD2-CD2 4.42Å; F51-F116 HydrophobicContact CD2-CE2 4.16Å; F51-F116 AromaticContact CE2-CE2 3.92Å; F51-F116 HydrophobicContact CE2-CE2 3.92Å |
| 52 | D | 92.6 | Very high | 91 | Very high | 57 Ų | 57 | 50.8 Ų | 50.8 | 31% | 0.305 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.9 | -32 | 170.4 | -74.4 | -26.2 | 0 | 0 | 0 | 111.3 | V48 S56 L113 | V48-D52 WeakPolarHBondContact CG1-OD2 3.45Å; V48-D52 WeakPolarHBondContact O-CB 3.44Å; V48-D52 PolarHBondContact O-N 2.74Å; D52-S56 WeakPolarHBondContact O-CB 3.39Å; D52-S56 PolarHBondContact O-N 3.17Å; D52-S56 PolarHBondContact O-OG 2.98Å; D52-L113 WeakPolarHBondContact OD1-CD2 3.23Å |
| 53 | S | 92.4 | Very high | 91 | Very high | 66 Ų | 66 | 49.8 Ų | 49.8 | 46% | 0.462 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.2 | -43 | 172 | -171.6 | 0 | 0 | 0 | 0 | 112.8 | D49 Y50 F51 S56 Q57 | D49-S53 VanDerWaalsContact O-CB 3.25Å; D49-S53 WeakPolarHBondContact O-CB 3.38Å; D49-S53 PolarHBondContact O-N 2.95Å; Y50-S53 WeakPolarHBondContact O-CB 3.4Å; Y50-S53 PolarHBondContact O-N 2.98Å; F51-S53 VanDerWaalsContact C-N 3.27Å; F51-S53 PolarHBondContact O-N 3.15Å; S53-S56 PolarHBondContact O-N 2.92Å; S53-Q57 WeakPolarHBondContact O-CB 3.5Å; S53-Q57 PolarHBondContact O-N 3.5Å |
| 54 | I | 89.7 | Confident | 91.2 | Very high | 50 Ų | 50 | 55.3 Ų | 55.3 | 26% | 0.256 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.5 | -53 | 175.2 | -70.1 | 167.5 | 0 | 0 | 0 | 109.6 | Y50 F51 S56 Q57 T58 | Y50-I54 HydrophobicContact CD1-CD1 4.24Å; Y50-I54 HydrophobicContact CE1-CD1 3.72Å; Y50-I54 HydrophobicContact CE2-CD1 4.13Å; Y50-I54 PolarHBondContact O-N 3.04Å; F51-I54 HydrophobicContact CD1-CD1 3.92Å; F51-I54 HydrophobicContact CE1-CD1 4.13Å; F51-I54 PolarHBondContact O-N 3.34Å; I54-S56 VanDerWaalsContact C-N 3.32Å; I54-S56 PolarHBondContact O-N 3.49Å; I54-Q57 PolarHBondContact O-N 3.48Å; I54-T58 PolarHBondContact O-N 2.93Å; I54-T58 PolarHBondContact O-OG1 2.97Å; I54-T58 VanDerWaalsContact O-OG1 3.08Å |
| 55 | I | 90.6 | Very high | 91.3 | Very high | 26 Ų | 26 | 60.4 Ų | 60.4 | 13% | 0.133 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.3 | -46.3 | 179.8 | -62.9 | 160.8 | 0 | 0 | 0 | 110.5 | F51 Q57 T58 V59 I105 V109 Y110 L113 | F51-I55 WeakPolarHBondContact O-CD1 3.24Å; F51-I55 WeakPolarHBondContact O-CG1 3.47Å; F51-I55 PolarHBondContact O-N 3.26Å; F51-I55 VanDerWaalsContact O-N 3.1Å; I55-Q57 PolarHBondContact O-N 3.41Å; I55-T58 PolarHBondContact O-N 3.38Å; I55-V59 HydrophobicContact CG2-CG2 4.36Å; I55-V59 WeakPolarHBondContact O-CB 3.18Å; I55-V59 VanDerWaalsContact O-CG2 3.23Å; I55-V59 WeakPolarHBondContact O-CG2 3.32Å; I55-V59 PolarHBondContact O-N 3.47Å; I55-I105 HydrophobicContact CB-CD1 4.32Å; I55-I105 HydrophobicContact CG1-CD1 4.22Å; I55-I105 HydrophobicContact CG1-CG2 4.43Å; I55-I105 HydrophobicContact CG2-CD1 4.13Å; I55-V109 HydrophobicContact CD1-CG1 4.04Å; I55-V109 HydrophobicContact CG1-CG1 4.05Å; I55-Y110 HydrophobicContact CD1-CD1 4.1Å; I55-Y110 HydrophobicContact CD1-CE1 3.6Å; I55-Y110 HydrophobicContact CG1-CE1 4.09Å; I55-L113 HydrophobicContact CD1-CD2 3.68Å |
| 56 | S | 91 | Very high | 91.4 | Very high | 76 Ų | 76 | 59.2 Ų | 59.2 | 53% | 0.531 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | -178.2 | -61.6 | 0 | 0 | 0 | 0 | 112.9 | D52 S53 I54 L60 | D52-S56 WeakPolarHBondContact O-CB 3.39Å; D52-S56 PolarHBondContact O-N 3.17Å; D52-S56 PolarHBondContact O-OG 2.98Å; S53-S56 PolarHBondContact O-N 2.92Å; I54-S56 VanDerWaalsContact C-N 3.32Å; I54-S56 PolarHBondContact O-N 3.49Å; S56-L60 WeakPolarHBondContact O-CB 3.48Å; S56-L60 PolarHBondContact O-N 3.41Å |
| 57 | Q | 91.3 | Very high | 91.4 | Very high | 111 Ų | 111 | 57.7 Ų | 57.7 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.7 | -45.8 | 178.6 | -176.3 | 173.9 | -20.6 | 0 | 0 | 111.4 | S53 I54 I55 V59 L60 E61 | S53-Q57 WeakPolarHBondContact O-CB 3.5Å; S53-Q57 PolarHBondContact O-N 3.5Å; I54-Q57 PolarHBondContact O-N 3.48Å; I55-Q57 PolarHBondContact O-N 3.41Å; Q57-V59 VanDerWaalsContact C-N 3.3Å; Q57-V59 PolarHBondContact O-N 2.95Å; Q57-L60 WeakPolarHBondContact O-CB 3.49Å; Q57-L60 PolarHBondContact O-N 2.91Å; Q57-L60 VanDerWaalsContact O-N 3.12Å; Q57-E61 VanDerWaalsContact CG-OE1 3.32Å; Q57-E61 WeakPolarHBondContact CG-OE1 3.28Å; Q57-E61 PolarHBondContact NE2-OE1 2.86Å; Q57-E61 WeakPolarHBondContact O-CG 3.31Å; Q57-E61 PolarHBondContact O-N 3.1Å |
| 58 | T | 89.6 | Confident | 91.5 | Very high | 24 Ų | 24 | 62 Ų | 62 | 15% | 0.147 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 177.2 | -49.7 | 0 | 0 | 0 | 0 | 111.9 | I54 I55 I62 L101 L104 I105 | I54-T58 PolarHBondContact O-N 2.93Å; I54-T58 PolarHBondContact O-OG1 2.97Å; I54-T58 VanDerWaalsContact O-OG1 3.08Å; I55-T58 PolarHBondContact O-N 3.38Å; T58-I62 HydrophobicContact CG2-CD1 3.89Å; T58-I62 WeakPolarHBondContact O-CB 3.37Å; T58-I62 WeakPolarHBondContact O-CD1 3.49Å; T58-I62 VanDerWaalsContact O-CG1 3.23Å; T58-I62 WeakPolarHBondContact O-CG1 3.44Å; T58-I62 PolarHBondContact O-N 3.25Å; T58-I62 VanDerWaalsContact O-N 3.14Å; T58-L101 HydrophobicContact CG2-CD1 4.38Å; T58-L104 HydrophobicContact CG2-CB 3.81Å; T58-I105 HydrophobicContact CG2-CD1 4.35Å; T58-I105 HydrophobicContact CG2-CG1 3.88Å |
| 59 | V | 89 | Confident | 91.5 | Very high | 54 Ų | 54 | 64.9 Ų | 64.9 | 33% | 0.327 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 173.4 | 168.6 | 0 | 0 | 0 | 0 | 111.8 | I55 Q57 E63 L101 | I55-V59 HydrophobicContact CG2-CG2 4.36Å; I55-V59 WeakPolarHBondContact O-CB 3.18Å; I55-V59 VanDerWaalsContact O-CG2 3.23Å; I55-V59 WeakPolarHBondContact O-CG2 3.32Å; I55-V59 PolarHBondContact O-N 3.47Å; Q57-V59 VanDerWaalsContact C-N 3.3Å; Q57-V59 PolarHBondContact O-N 2.95Å; V59-E63 WeakPolarHBondContact O-CB 3.25Å; V59-E63 PolarHBondContact O-N 3.46Å; V59-L101 HydrophobicContact CG2-CD1 3.61Å; V59-L101 HydrophobicContact CG2-CD2 4.07Å |
| 60 | L | 91.3 | Very high | 91.5 | Very high | 105 Ų | 105 | 61.4 Ų | 61.4 | 55% | 0.55 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.2 | -50.6 | 178.6 | -173.4 | 73.9 | 0 | 0 | 0 | 111.6 | S56 Q57 I62 E63 E64 | S56-L60 WeakPolarHBondContact O-CB 3.48Å; S56-L60 PolarHBondContact O-N 3.41Å; Q57-L60 WeakPolarHBondContact O-CB 3.49Å; Q57-L60 PolarHBondContact O-N 2.91Å; Q57-L60 VanDerWaalsContact O-N 3.12Å; L60-I62 VanDerWaalsContact C-N 3.29Å; L60-I62 PolarHBondContact O-N 3.26Å; L60-E63 PolarHBondContact O-N 3.02Å; L60-E64 PolarHBondContact O-N 3.37Å |
| 61 | E | 90.5 | Very high | 91.5 | Very high | 101 Ų | 101 | 63.3 Ų | 63.3 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.3 | -40.8 | 179.9 | -69.3 | 170 | -173.6 | 0 | 0 | 111.3 | Q57 E64 E65 | Q57-E61 VanDerWaalsContact CG-OE1 3.32Å; Q57-E61 WeakPolarHBondContact CG-OE1 3.28Å; Q57-E61 PolarHBondContact NE2-OE1 2.86Å; Q57-E61 WeakPolarHBondContact O-CG 3.31Å; Q57-E61 PolarHBondContact O-N 3.1Å; E61-E64 PolarHBondContact O-N 3.21Å; E61-E65 PolarHBondContact O-N 2.91Å; E61-E65 VanDerWaalsContact O-N 3.08Å |
| 62 | I | 88.7 | Confident | 91.6 | Very high | 12 Ų | 12 | 68.4 Ų | 68.4 | 6% | 0.062 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 175.6 | -75.4 | 171.7 | 0 | 0 | 0 | 112.7 | T58 L60 R66 Y97 L101 L104 | T58-I62 HydrophobicContact CG2-CD1 3.89Å; T58-I62 WeakPolarHBondContact O-CB 3.37Å; T58-I62 WeakPolarHBondContact O-CD1 3.49Å; T58-I62 VanDerWaalsContact O-CG1 3.23Å; T58-I62 WeakPolarHBondContact O-CG1 3.44Å; T58-I62 PolarHBondContact O-N 3.25Å; T58-I62 VanDerWaalsContact O-N 3.14Å; L60-I62 VanDerWaalsContact C-N 3.29Å; L60-I62 PolarHBondContact O-N 3.26Å; I62-R66 WeakPolarHBondContact O-CB 3.47Å; I62-R66 PolarHBondContact O-N 3.23Å; I62-Y97 HydrophobicContact CG2-CD1 4.07Å; I62-L101 VanDerWaalsContact CD1-CA 3.49Å; I62-L101 HydrophobicContact CD1-CB 3.84Å; I62-L101 HydrophobicContact CD1-CD1 3.73Å; I62-L101 HydrophobicContact CD1-CG 4.42Å; I62-L104 HydrophobicContact CD1-CD1 3.7Å; I62-L104 HydrophobicContact CG1-CD1 4.12Å |
| 63 | E | 88.6 | Confident | 91.5 | Very high | 67 Ų | 67 | 66.9 Ų | 66.9 | 31% | 0.313 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.9 | -32.5 | 177.4 | -83.5 | -68.8 | 135.6 | 0 | 0 | 112.4 | V59 L60 R66 A67 | V59-E63 WeakPolarHBondContact O-CB 3.25Å; V59-E63 PolarHBondContact O-N 3.46Å; L60-E63 PolarHBondContact O-N 3.02Å; E63-R66 VanDerWaalsContact CD-NE 3.26Å; E63-R66 IonicContact OE1-CZ 3.82Å; E63-R66 IonicContact OE1-NE 3.9Å; E63-R66 PolarHBondContact OE1-NE 2.97Å; E63-R66 IonicContact OE1-NH2 3.48Å; E63-R66 IonicContact OE2-CZ 2.67Å; E63-R66 IonicContact OE2-NE 3.47Å; E63-R66 PolarHBondContact OE2-NE 3.19Å; E63-R66 VanDerWaalsContact OE2-NE 3.11Å; E63-R66 IonicContact OE2-NH2 2.8Å; E63-R66 PolarHBondContact OE2-NH2 3.35Å; E63-A67 VanDerWaalsContact O-CB 3.24Å; E63-A67 WeakPolarHBondContact O-CB 3.39Å; E63-A67 PolarHBondContact O-N 3.44Å |
| 64 | E | 92.5 | Very high | 91.5 | Very high | 128 Ų | 128 | 64.9 Ų | 64.9 | 60% | 0.598 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.7 | -47.9 | 172.1 | -72.9 | -167.9 | 169.4 | 0 | 0 | 111.6 | L60 E61 R66 A67 V68 | L60-E64 PolarHBondContact O-N 3.37Å; E61-E64 PolarHBondContact O-N 3.21Å; E64-R66 PolarHBondContact O-N 3.42Å; E64-A67 PolarHBondContact O-N 2.72Å; E64-V68 WeakPolarHBondContact O-CG2 3.34Å; E64-V68 PolarHBondContact O-N 2.77Å; E64-V68 VanDerWaalsContact O-N 3.12Å |
| 65 | E | 91.2 | Very high | 91.6 | Very high | 108 Ų | 108 | 66.4 Ų | 66.4 | 51% | 0.505 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.8 | -46.9 | 172.9 | -74.3 | -164.1 | 171.6 | 0 | 0 | 111.9 | E61 A67 V68 E69 Y97 | E61-E65 PolarHBondContact O-N 2.91Å; E61-E65 VanDerWaalsContact O-N 3.08Å; E65-A67 VanDerWaalsContact C-N 3.31Å; E65-A67 PolarHBondContact O-N 3.05Å; E65-V68 PolarHBondContact O-N 3.19Å; E65-V68 VanDerWaalsContact O-N 3.17Å; E65-E69 PolarHBondContact O-N 3.25Å; E65-Y97 HydrophobicContact CB-CE1 3.63Å |
| 66 | R | 93.8 | Very high | 91.6 | Very high | 31 Ų | 31 | 68.7 Ų | 68.7 | 12% | 0.117 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59 | -41.4 | 179.5 | -168 | -169.8 | 71.4 | 61.6 | 7.4 | 111.7 | I62 E63 E64 E70 I93 Y97 | I62-R66 WeakPolarHBondContact O-CB 3.47Å; I62-R66 PolarHBondContact O-N 3.23Å; E63-R66 VanDerWaalsContact CD-NE 3.26Å; E63-R66 IonicContact OE1-CZ 3.82Å; E63-R66 IonicContact OE1-NE 3.9Å; E63-R66 PolarHBondContact OE1-NE 2.97Å; E63-R66 IonicContact OE1-NH2 3.48Å; E63-R66 IonicContact OE2-CZ 2.67Å; E63-R66 IonicContact OE2-NE 3.47Å; E63-R66 PolarHBondContact OE2-NE 3.19Å; E63-R66 VanDerWaalsContact OE2-NE 3.11Å; E63-R66 IonicContact OE2-NH2 2.8Å; E63-R66 PolarHBondContact OE2-NH2 3.35Å; E64-R66 PolarHBondContact O-N 3.42Å; R66-E70 IonicContact CZ-OE2 2.72Å; R66-E70 IonicContact NH1-OE2 3.55Å; R66-E70 PolarHBondContact NH1-OE2 3.15Å; R66-E70 VanDerWaalsContact O-CB 3.26Å; R66-E70 WeakPolarHBondContact O-CB 3.46Å; R66-E70 PolarHBondContact O-N 2.94Å; R66-I93 HydrophobicContact CG-CG2 3.79Å; R66-Y97 HydrophobicContact CB-CD1 4.1Å; R66-Y97 HydrophobicContact CB-CD2 3.81Å; R66-Y97 HydrophobicContact CB-CE1 4.43Å; R66-Y97 HydrophobicContact CB-CE2 4.15Å; R66-Y97 HydrophobicContact CB-CG 3.76Å; R66-Y97 HydrophobicContact CG-CD2 3.6Å; R66-Y97 HydrophobicContact CG-CE2 4.26Å; R66-Y97 HydrophobicContact CG-CG 3.79Å |
| 67 | A | 92 | Very high | 91.5 | Very high | 50 Ų | 50 | 66.2 Ų | 66.2 | 41% | 0.413 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.5 | -36 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E63 E64 E65 S71 | E63-A67 VanDerWaalsContact O-CB 3.24Å; E63-A67 WeakPolarHBondContact O-CB 3.39Å; E63-A67 PolarHBondContact O-N 3.44Å; E64-A67 PolarHBondContact O-N 2.72Å; E65-A67 VanDerWaalsContact C-N 3.31Å; E65-A67 PolarHBondContact O-N 3.05Å; A67-S71 WeakPolarHBondContact O-CB 3.47Å; A67-S71 PolarHBondContact O-N 3.38Å |
| 68 | V | 94.8 | Very high | 91.3 | Very high | 92 Ų | 92 | 68.7 Ų | 68.7 | 56% | 0.558 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.9 | -48 | 175.2 | 172.4 | 0 | 0 | 0 | 0 | 111 | E64 E65 S71 E72 | E64-V68 WeakPolarHBondContact O-CG2 3.34Å; E64-V68 PolarHBondContact O-N 2.77Å; E64-V68 VanDerWaalsContact O-N 3.12Å; E65-V68 PolarHBondContact O-N 3.19Å; E65-V68 VanDerWaalsContact O-N 3.17Å; V68-S71 PolarHBondContact O-N 3.34Å; V68-E72 PolarHBondContact O-N 3.2Å |
| 69 | E | 93.4 | Very high | 91.3 | Very high | 60 Ų | 60 | 70.6 Ų | 70.6 | 28% | 0.28 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.5 | -37.3 | 178.3 | -172 | 172.5 | 166.6 | 0 | 0 | 112.7 | E65 T73 I93 K96 Y97 | E65-E69 PolarHBondContact O-N 3.25Å; E69-T73 VanDerWaalsContact O-CB 3.24Å; E69-T73 WeakPolarHBondContact O-CB 3.39Å; E69-T73 PolarHBondContact O-N 2.98Å; E69-T73 PolarHBondContact O-OG1 2.88Å; E69-I93 HydrophobicContact CG-CD1 4.21Å; E69-K96 IonicContact OE1-NZ 3.72Å; E69-K96 PolarHBondContact OE1-NZ 3.06Å; E69-K96 IonicContact OE2-NZ 2.68Å; E69-K96 PolarHBondContact OE2-NZ 2.61Å; E69-Y97 HydrophobicContact CB-CE2 4.3Å; E69-Y97 VanDerWaalsContact OE2-CE2 3.31Å; E69-Y97 WeakPolarHBondContact OE2-CE2 3.38Å; E69-Y97 PolarHBondContact OE2-OH 2.68Å; E69-Y97 VanDerWaalsContact OE2-OH 3.11Å |
| 70 | E | 92.9 | Very high | 91 | Very high | 35 Ų | 35 | 71 Ų | 71 | 16% | 0.164 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.9 | -48.1 | 172 | -176.5 | -179 | 154 | 0 | 0 | 110.6 | R66 T73 L74 R90 I93 | R66-E70 IonicContact CZ-OE2 2.72Å; R66-E70 IonicContact NH1-OE2 3.55Å; R66-E70 PolarHBondContact NH1-OE2 3.15Å; R66-E70 VanDerWaalsContact O-CB 3.26Å; R66-E70 WeakPolarHBondContact O-CB 3.46Å; R66-E70 PolarHBondContact O-N 2.94Å; E70-T73 PolarHBondContact O-N 3.41Å; E70-L74 HydrophobicContact CG-CD1 3.62Å; E70-L74 WeakPolarHBondContact O-CB 3.37Å; E70-L74 WeakPolarHBondContact O-CD1 3.46Å; E70-L74 PolarHBondContact O-N 3.26Å; E70-R90 HydrophobicContact CG-CG 4.24Å; E70-R90 WeakPolarHBondContact OE1-CG 3.41Å; E70-R90 IonicContact OE1-CZ 3.33Å; E70-R90 IonicContact OE1-NE 3.11Å; E70-R90 PolarHBondContact OE1-NE 3.33Å; E70-R90 IonicContact OE1-NH2 3.69Å; E70-R90 PolarHBondContact OE1-NH2 3.17Å; E70-I93 HydrophobicContact CB-CD1 4.46Å; E70-I93 HydrophobicContact CB-CG2 4.44Å |
| 71 | S | 93.3 | Very high | 90.7 | Very high | 75 Ų | 75 | 72 Ų | 72 | 52% | 0.524 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.9 | -50.2 | 179.7 | -175.3 | 0 | 0 | 0 | 0 | 112.5 | A67 V68 T73 T75 | A67-S71 WeakPolarHBondContact O-CB 3.47Å; A67-S71 PolarHBondContact O-N 3.38Å; V68-S71 PolarHBondContact O-N 3.34Å; S71-T73 VanDerWaalsContact C-N 3.3Å; S71-T73 PolarHBondContact O-N 2.78Å; S71-T75 WeakPolarHBondContact O-CB 3.32Å; S71-T75 PolarHBondContact O-N 3.38Å; S71-T75 PolarHBondContact O-OG1 3.46Å |
| 72 | E | 94.3 | Very high | 90 | Very high | 109 Ų | 109 | 69.9 Ų | 69.9 | 51% | 0.509 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.9 | -40 | 176.6 | -91.2 | -149.8 | -166.2 | 0 | 0 | 112.4 | V68 T75 K76 | V68-E72 PolarHBondContact O-N 3.2Å; E72-T75 PolarHBondContact O-N 3.39Å; E72-K76 WeakPolarHBondContact O-CD 3.49Å; E72-K76 WeakPolarHBondContact O-CE 3.32Å; E72-K76 VanDerWaalsContact O-CG 3.28Å; E72-K76 WeakPolarHBondContact O-CG 3.38Å; E72-K76 PolarHBondContact O-N 2.91Å; E72-K76 IonicContact OE2-NZ 2.73Å; E72-K76 PolarHBondContact OE2-NZ 2.85Å |
| 73 | T | 91.7 | Very high | 89.6 | Confident | 25 Ų | 25 | 78.8 Ų | 78.8 | 15% | 0.153 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -80.2 | -36.9 | -173.6 | -47.5 | 0 | 0 | 0 | 0 | 111.8 | E69 E70 S71 T75 K76 V77 I82 V89 I93 | E69-T73 VanDerWaalsContact O-CB 3.24Å; E69-T73 WeakPolarHBondContact O-CB 3.39Å; E69-T73 PolarHBondContact O-N 2.98Å; E69-T73 PolarHBondContact O-OG1 2.88Å; E70-T73 PolarHBondContact O-N 3.41Å; S71-T73 VanDerWaalsContact C-N 3.3Å; S71-T73 PolarHBondContact O-N 2.78Å; T73-T75 VanDerWaalsContact C-N 3.32Å; T73-T75 PolarHBondContact O-N 3.29Å; T73-K76 PolarHBondContact O-N 2.75Å; T73-V77 WeakPolarHBondContact O-CG2 3.42Å; T73-V77 PolarHBondContact O-N 2.86Å; T73-I82 HydrophobicContact CG2-CD1 4.02Å; T73-V89 HydrophobicContact CG2-CG1 3.49Å; T73-V89 VanDerWaalsContact CG2-CG1 3.49Å; T73-I93 HydrophobicContact CG2-CD1 4.43Å |
| 74 | L | 90.5 | Very high | 89.5 | Confident | 23 Ų | 23 | 78.9 Ų | 78.9 | 12% | 0.12 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 168 | -96.4 | 93.6 | 0 | 0 | 0 | 111.6 | E70 K76 V77 E78 P86 V89 R90 | E70-L74 HydrophobicContact CG-CD1 3.62Å; E70-L74 WeakPolarHBondContact O-CB 3.37Å; E70-L74 WeakPolarHBondContact O-CD1 3.46Å; E70-L74 PolarHBondContact O-N 3.26Å; L74-K76 PolarHBondContact O-N 2.97Å; L74-V77 WeakPolarHBondContact O-CB 3.19Å; L74-V77 PolarHBondContact O-N 3.26Å; L74-E78 PolarHBondContact O-N 3.42Å; L74-P86 HydrophobicContact CD2-CB 4.09Å; L74-P86 HydrophobicContact CG-CB 4.37Å; L74-V89 HydrophobicContact CD1-CG1 4.41Å; L74-R90 HydrophobicContact CD1-CG 4.19Å |
| 75 | T | 92.7 | Very high | 89.3 | Confident | 83 Ų | 83 | 76.1 Ų | 76.1 | 51% | 0.509 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.2 | -36.3 | 176.2 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | S71 E72 T73 A79 | S71-T75 WeakPolarHBondContact O-CB 3.32Å; S71-T75 PolarHBondContact O-N 3.38Å; S71-T75 PolarHBondContact O-OG1 3.46Å; E72-T75 PolarHBondContact O-N 3.39Å; T73-T75 VanDerWaalsContact C-N 3.32Å; T73-T75 PolarHBondContact O-N 3.29Å; T75-A79 VanDerWaalsContact O-CB 3.3Å; T75-A79 WeakPolarHBondContact O-CB 3.21Å; T75-A79 PolarHBondContact O-N 3.01Å |
| 76 | K | 91.5 | Very high | 89.1 | Confident | 74 Ų | 74 | 73.5 Ų | 73.5 | 32% | 0.322 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -72 | -30.9 | 175.4 | -66.2 | 158 | -161.9 | 165.2 | 0 | 112.8 | E72 T73 L74 I81 I82 | E72-K76 WeakPolarHBondContact O-CD 3.49Å; E72-K76 WeakPolarHBondContact O-CE 3.32Å; E72-K76 VanDerWaalsContact O-CG 3.28Å; E72-K76 WeakPolarHBondContact O-CG 3.38Å; E72-K76 PolarHBondContact O-N 2.91Å; E72-K76 IonicContact OE2-NZ 2.73Å; E72-K76 PolarHBondContact OE2-NZ 2.85Å; T73-K76 PolarHBondContact O-N 2.75Å; L74-K76 PolarHBondContact O-N 2.97Å; K76-I81 WeakPolarHBondContact O-CB 2.94Å; K76-I81 PolarHBondContact O-N 3.2Å; K76-I82 HydrophobicContact CB-CD1 3.69Å; K76-I82 HydrophobicContact CB-CG1 4.13Å; K76-I82 HydrophobicContact CD-CD1 4.43Å; K76-I82 PolarHBondContact O-N 2.74Å |
| 77 | V | 88.1 | Confident | 88.8 | Confident | 23 Ų | 23 | 77.6 Ų | 77.6 | 14% | 0.139 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -70.1 | -46.7 | 170.8 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | T73 L74 A79 G80 I82 E84 P86 V89 | T73-V77 WeakPolarHBondContact O-CG2 3.42Å; T73-V77 PolarHBondContact O-N 2.86Å; L74-V77 WeakPolarHBondContact O-CB 3.19Å; L74-V77 PolarHBondContact O-N 3.26Å; V77-A79 VanDerWaalsContact C-N 3.27Å; V77-A79 PolarHBondContact O-N 3.36Å; V77-G80 PolarHBondContact O-N 3.38Å; V77-I82 HydrophobicContact CG2-CB 4Å; V77-I82 HydrophobicContact CG2-CG2 4.2Å; V77-E84 WeakPolarHBondContact CG1-O 3.36Å; V77-P86 HydrophobicContact CG1-CG 4.13Å; V77-V89 HydrophobicContact CG2-CG2 3.9Å |
| 78 | E | 86.9 | Confident | 88.6 | Confident | 163 Ų | 163 | 77.2 Ų | 77.2 | 76% | 0.762 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.8 | -32.5 | 178 | -70.1 | -172.5 | 165.7 | 0 | 0 | 112.5 | L74 G80 | L74-E78 PolarHBondContact O-N 3.42Å; E78-G80 PolarHBondContact O-N 3.33Å |
| 79 | A | 89.6 | Confident | 88.4 | Confident | 65 Ų | 65 | 73.3 Ų | 73.3 | 54% | 0.537 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -2.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | T75 V77 I81 | T75-A79 VanDerWaalsContact O-CB 3.3Å; T75-A79 WeakPolarHBondContact O-CB 3.21Å; T75-A79 PolarHBondContact O-N 3.01Å; V77-A79 VanDerWaalsContact C-N 3.27Å; V77-A79 PolarHBondContact O-N 3.36Å; A79-I81 VanDerWaalsContact C-N 3.29Å; A79-I81 HydrophobicContact CB-CD1 3.9Å; A79-I81 HydrophobicContact CB-CG1 3.98Å; A79-I81 PolarHBondContact O-N 3.39Å |
| 80 | G | 81.7 | Confident | 88.2 | Confident | 61 Ų | 61 | 75.2 Ų | 75.2 | 63% | 0.629 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 18.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | V77 E78 | V77-G80 PolarHBondContact O-N 3.38Å; E78-G80 PolarHBondContact O-N 3.33Å |
| 81 | I | 85 | Confident | 88.1 | Confident | 128 Ų | 128 | 81 Ų | 81 | 66% | 0.656 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -83.8 | -26.4 | -179.5 | -56.4 | 172.1 | 0 | 0 | 0 | 110.9 | K76 A79 | K76-I81 WeakPolarHBondContact O-CB 2.94Å; K76-I81 PolarHBondContact O-N 3.2Å; A79-I81 VanDerWaalsContact C-N 3.29Å; A79-I81 HydrophobicContact CB-CD1 3.9Å; A79-I81 HydrophobicContact CB-CG1 3.98Å; A79-I81 PolarHBondContact O-N 3.39Å |
| 82 | I | 76.7 | Confident | 87.9 | Confident | 55 Ų | 55 | 82.3 Ų | 82.3 | 28% | 0.282 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -125.6 | 112.6 | -177.9 | -57.3 | 177.3 | 0 | 0 | 0 | 109.2 | T73 K76 V77 E84 | T73-I82 HydrophobicContact CG2-CD1 4.02Å; K76-I82 HydrophobicContact CB-CD1 3.69Å; K76-I82 HydrophobicContact CB-CG1 4.13Å; K76-I82 HydrophobicContact CD-CD1 4.43Å; K76-I82 PolarHBondContact O-N 2.74Å; V77-I82 HydrophobicContact CG2-CB 4Å; V77-I82 HydrophobicContact CG2-CG2 4.2Å; I82-E84 HydrophobicContact CG2-CB 4.16Å; I82-E84 HydrophobicContact CG2-CG 4.39Å; I82-E84 PolarHBondContact O-N 3.4Å |
| 83 | E | 81.3 | Confident | 87.7 | Confident | 200 Ų | 200 | 77.5 Ų | 77.5 | 94% | 0.935 | 41% | 0.412 | S | S | * | . | trans | -80.2 | 57.1 | 176 | -64.8 | -166.7 | 144.8 | 0 | 0 | 112.5 | ||||
| 84 | E | 85.3 | Confident | 87.5 | Confident | 68 Ų | 68 | 82.5 Ų | 82.5 | 32% | 0.318 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -122.9 | 150 | 167.8 | -76.2 | -162.2 | -139.4 | 0 | 0 | 111.4 | V77 I82 S88 V89 K92 | V77-E84 WeakPolarHBondContact CG1-O 3.36Å; I82-E84 HydrophobicContact CG2-CB 4.16Å; I82-E84 HydrophobicContact CG2-CG 4.39Å; I82-E84 PolarHBondContact O-N 3.4Å; E84-S88 WeakPolarHBondContact OE2-CB 3.32Å; E84-S88 PolarHBondContact OE2-OG 3.42Å; E84-V89 HydrophobicContact CB-CG2 3.92Å; E84-K92 IonicContact OE1-NZ 3.1Å; E84-K92 PolarHBondContact OE1-NZ 3.32Å; E84-K92 IonicContact OE2-NZ 3.6Å; E84-K92 PolarHBondContact OE2-NZ 3.45Å |
| 85 | S | 88 | Confident | 87.3 | Confident | 70 Ų | 70 | 87 Ų | 87 | 49% | 0.49 | 45% | 0.449 | S | S | . | . | trans | -66.7 | 143.6 | 174.4 | 77.1 | 0 | 0 | 0 | 0 | 110.8 | N87 S88 V89 | S85-N87 PolarHBondContact O-N 3.31Å; S85-S88 WeakPolarHBondContact O-CA 3.41Å; S85-S88 VanDerWaalsContact O-CB 3.31Å; S85-S88 WeakPolarHBondContact O-CB 3.48Å; S85-S88 PolarHBondContact O-N 2.65Å; S85-S88 PolarHBondContact OG-N 2.99Å; S85-V89 PolarHBondContact O-N 2.85Å; S85-V89 VanDerWaalsContact O-N 3.15Å | ||
| 86 | P | 86.8 | Confident | 87.1 | Confident | 53 Ų | 53 | 87.5 Ų | 87.5 | 34% | 0.344 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -54.6 | -29.5 | 178.2 | -29.2 | 35.4 | 0 | 0 | 0 | 114.2 | L74 V77 R90 | L74-P86 HydrophobicContact CD2-CB 4.09Å; L74-P86 HydrophobicContact CG-CB 4.37Å; V77-P86 HydrophobicContact CG1-CG 4.13Å; P86-R90 WeakPolarHBondContact O-CG 3.42Å; P86-R90 PolarHBondContact O-N 3.14Å |
| 87 | N | 87.6 | Confident | 86.9 | Confident | 118 Ų | 118 | 84.6 Ų | 84.6 | 63% | 0.631 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -76.1 | -31.2 | 176.5 | -69.4 | -8.1 | 0 | 0 | 0 | 113 | S85 Y91 | S85-N87 PolarHBondContact O-N 3.31Å; N87-Y91 WeakPolarHBondContact O-CB 3.33Å; N87-Y91 PolarHBondContact O-N 3.26Å |
| 88 | S | 89.3 | Confident | 86.5 | Confident | 42 Ų | 42 | 86.7 Ų | 86.7 | 29% | 0.294 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 170.9 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | E84 S85 Y91 K92 | E84-S88 WeakPolarHBondContact OE2-CB 3.32Å; E84-S88 PolarHBondContact OE2-OG 3.42Å; S85-S88 WeakPolarHBondContact O-CA 3.41Å; S85-S88 VanDerWaalsContact O-CB 3.31Å; S85-S88 WeakPolarHBondContact O-CB 3.48Å; S85-S88 PolarHBondContact O-N 2.65Å; S85-S88 PolarHBondContact OG-N 2.99Å; S88-Y91 PolarHBondContact O-N 3.42Å; S88-K92 WeakPolarHBondContact O-CG 3.23Å; S88-K92 PolarHBondContact O-N 2.77Å |
| 89 | V | 89 | Confident | 85.9 | Confident | 9 Ų | 9 | 80.3 Ų | 80.3 | 6% | 0.055 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.3 | -49.1 | 177.5 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | T73 L74 V77 E84 S85 Y91 K92 I93 | T73-V89 HydrophobicContact CG2-CG1 3.49Å; T73-V89 VanDerWaalsContact CG2-CG1 3.49Å; L74-V89 HydrophobicContact CD1-CG1 4.41Å; V77-V89 HydrophobicContact CG2-CG2 3.9Å; E84-V89 HydrophobicContact CB-CG2 3.92Å; S85-V89 PolarHBondContact O-N 2.85Å; S85-V89 VanDerWaalsContact O-N 3.15Å; V89-Y91 VanDerWaalsContact C-N 3.34Å; V89-Y91 PolarHBondContact O-N 3.4Å; V89-K92 PolarHBondContact O-N 3.49Å; V89-I93 HydrophobicContact CG1-CD1 3.72Å; V89-I93 WeakPolarHBondContact O-CB 3.48Å; V89-I93 WeakPolarHBondContact O-CG1 3.09Å; V89-I93 PolarHBondContact O-N 3.08Å |
| 90 | R | 90.8 | Very high | 85.5 | Confident | 101 Ų | 101 | 79.8 Ų | 79.8 | 38% | 0.381 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -55 | -47.5 | 173.5 | -80.5 | -172.8 | 176.5 | 107.1 | 12.3 | 112.7 | E70 L74 P86 I93 Y94 | E70-R90 HydrophobicContact CG-CG 4.24Å; E70-R90 WeakPolarHBondContact OE1-CG 3.41Å; E70-R90 IonicContact OE1-CZ 3.33Å; E70-R90 IonicContact OE1-NE 3.11Å; E70-R90 PolarHBondContact OE1-NE 3.33Å; E70-R90 IonicContact OE1-NH2 3.69Å; E70-R90 PolarHBondContact OE1-NH2 3.17Å; L74-R90 HydrophobicContact CD1-CG 4.19Å; P86-R90 WeakPolarHBondContact O-CG 3.42Å; P86-R90 PolarHBondContact O-N 3.14Å; R90-I93 PolarHBondContact O-N 3.01Å; R90-Y94 WeakPolarHBondContact O-CB 3.5Å; R90-Y94 PolarHBondContact O-N 2.84Å |
| 91 | Y | 89.2 | Confident | 85.3 | Confident | 156 Ų | 156 | 78.7 Ų | 78.7 | 61% | 0.612 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61.7 | -49.2 | -177.9 | -176.1 | -94.2 | 0 | 0 | 0 | 111.5 | N87 S88 V89 I93 Y94 E95 | N87-Y91 WeakPolarHBondContact O-CB 3.33Å; N87-Y91 PolarHBondContact O-N 3.26Å; S88-Y91 PolarHBondContact O-N 3.42Å; V89-Y91 VanDerWaalsContact C-N 3.34Å; V89-Y91 PolarHBondContact O-N 3.4Å; Y91-I93 VanDerWaalsContact C-N 3.34Å; Y91-I93 PolarHBondContact O-N 3.32Å; Y91-Y94 PolarHBondContact O-N 3.25Å; Y91-E95 VanDerWaalsContact O-CB 3.3Å; Y91-E95 WeakPolarHBondContact O-CB 3.24Å; Y91-E95 PolarHBondContact O-N 3.15Å |
| 92 | K | 89.9 | Confident | 85 | Confident | 103 Ų | 103 | 75.2 Ų | 75.2 | 45% | 0.448 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58 | -42.9 | 176.3 | -75.1 | 175.7 | 175.1 | 175.1 | 0 | 113 | E84 S88 V89 K96 | E84-K92 IonicContact OE1-NZ 3.1Å; E84-K92 PolarHBondContact OE1-NZ 3.32Å; E84-K92 IonicContact OE2-NZ 3.6Å; E84-K92 PolarHBondContact OE2-NZ 3.45Å; S88-K92 WeakPolarHBondContact O-CG 3.23Å; S88-K92 PolarHBondContact O-N 2.77Å; V89-K92 PolarHBondContact O-N 3.49Å; K92-K96 VanDerWaalsContact O-CB 3.26Å; K92-K96 WeakPolarHBondContact O-CB 3.35Å; K92-K96 PolarHBondContact O-N 3.02Å |
| 93 | I | 90.5 | Very high | 85.2 | Confident | 8 Ų | 8 | 80.6 Ų | 80.6 | 4% | 0.041 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.4 | -41.7 | 178.8 | -68.3 | 172.8 | 0 | 0 | 0 | 110.2 | R66 E69 E70 T73 V89 R90 Y91 K96 Y97 | R66-I93 HydrophobicContact CG-CG2 3.79Å; E69-I93 HydrophobicContact CG-CD1 4.21Å; E70-I93 HydrophobicContact CB-CD1 4.46Å; E70-I93 HydrophobicContact CB-CG2 4.44Å; T73-I93 HydrophobicContact CG2-CD1 4.43Å; V89-I93 HydrophobicContact CG1-CD1 3.72Å; V89-I93 WeakPolarHBondContact O-CB 3.48Å; V89-I93 WeakPolarHBondContact O-CG1 3.09Å; V89-I93 PolarHBondContact O-N 3.08Å; R90-I93 PolarHBondContact O-N 3.01Å; Y91-I93 VanDerWaalsContact C-N 3.34Å; Y91-I93 PolarHBondContact O-N 3.32Å; I93-K96 PolarHBondContact O-N 2.91Å; I93-Y97 HydrophobicContact CG2-CD2 3.9Å; I93-Y97 HydrophobicContact CG2-CE2 4.16Å; I93-Y97 WeakPolarHBondContact O-CD2 3.41Å; I93-Y97 PolarHBondContact O-N 3.11Å |
| 94 | Y | 87.7 | Confident | 85.4 | Confident | 130 Ų | 130 | 76.1 Ų | 76.1 | 51% | 0.51 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 177.4 | -153.4 | -84.6 | 0 | 0 | 0 | 112.3 | R90 Y91 S98 | R90-Y94 WeakPolarHBondContact O-CB 3.5Å; R90-Y94 PolarHBondContact O-N 2.84Å; Y91-Y94 PolarHBondContact O-N 3.25Å; Y94-S98 WeakPolarHBondContact O-CB 3.38Å; Y94-S98 PolarHBondContact O-N 2.79Å |
| 95 | E | 87 | Confident | 85.4 | Confident | 116 Ų | 116 | 73.1 Ų | 73.1 | 54% | 0.542 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 174.3 | -176.9 | 174.3 | -139.8 | 0 | 0 | 111.6 | Y91 G99 | Y91-E95 VanDerWaalsContact O-CB 3.3Å; Y91-E95 WeakPolarHBondContact O-CB 3.24Å; Y91-E95 PolarHBondContact O-N 3.15Å; E95-G99 PolarHBondContact O-N 2.85Å; E95-G99 VanDerWaalsContact O-N 3.1Å |
| 96 | K | 88.3 | Confident | 85.5 | Confident | 94 Ų | 94 | 75 Ų | 75 | 41% | 0.409 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -54.4 | -55.5 | 174.4 | 177.8 | -163.2 | 176.9 | -172.3 | 0 | 112 | E69 K92 I93 G99 Q100 | E69-K96 IonicContact OE1-NZ 3.72Å; E69-K96 PolarHBondContact OE1-NZ 3.06Å; E69-K96 IonicContact OE2-NZ 2.68Å; E69-K96 PolarHBondContact OE2-NZ 2.61Å; K92-K96 VanDerWaalsContact O-CB 3.26Å; K92-K96 WeakPolarHBondContact O-CB 3.35Å; K92-K96 PolarHBondContact O-N 3.02Å; I93-K96 PolarHBondContact O-N 2.91Å; K96-G99 CarbonylContact O-C 3.58Å; K96-G99 PolarHBondContact O-N 3.39Å; K96-G99 VanDerWaalsContact O-N 3.16Å; K96-Q100 PolarHBondContact O-N 2.91Å |
| 97 | Y | 86.8 | Confident | 85.6 | Confident | 14 Ų | 14 | 74.4 Ų | 74.4 | 6% | 0.055 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -73.7 | -32.9 | -175.4 | -83.6 | -81.9 | 0 | 0 | 0 | 112.9 | I62 E65 R66 E69 I93 G99 Q100 L101 | I62-Y97 HydrophobicContact CG2-CD1 4.07Å; E65-Y97 HydrophobicContact CB-CE1 3.63Å; R66-Y97 HydrophobicContact CB-CD1 4.1Å; R66-Y97 HydrophobicContact CB-CD2 3.81Å; R66-Y97 HydrophobicContact CB-CE1 4.43Å; R66-Y97 HydrophobicContact CB-CE2 4.15Å; R66-Y97 HydrophobicContact CB-CG 3.76Å; R66-Y97 HydrophobicContact CG-CD2 3.6Å; R66-Y97 HydrophobicContact CG-CE2 4.26Å; R66-Y97 HydrophobicContact CG-CG 3.79Å; E69-Y97 HydrophobicContact CB-CE2 4.3Å; E69-Y97 VanDerWaalsContact OE2-CE2 3.31Å; E69-Y97 WeakPolarHBondContact OE2-CE2 3.38Å; E69-Y97 PolarHBondContact OE2-OH 2.68Å; E69-Y97 VanDerWaalsContact OE2-OH 3.11Å; I93-Y97 HydrophobicContact CG2-CD2 3.9Å; I93-Y97 HydrophobicContact CG2-CE2 4.16Å; I93-Y97 WeakPolarHBondContact O-CD2 3.41Å; I93-Y97 PolarHBondContact O-N 3.11Å; Y97-G99 PolarHBondContact O-N 3.13Å; Y97-Q100 WeakPolarHBondContact O-CB 3.22Å; Y97-Q100 PolarHBondContact O-N 2.89Å; Y97-L101 PolarHBondContact O-N 3.07Å |
| 98 | S | 78.8 | Confident | 85.7 | Confident | 67 Ų | 67 | 71.3 Ų | 71.3 | 47% | 0.469 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.7 | -34.1 | 168 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | Y94 Q100 | Y94-S98 WeakPolarHBondContact O-CB 3.38Å; Y94-S98 PolarHBondContact O-N 2.79Å; S98-Q100 VanDerWaalsContact C-N 3.32Å |
| 99 | G | 75.8 | Confident | 85.9 | Confident | 28 Ų | 28 | 69.5 Ų | 69.5 | 29% | 0.289 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -82.1 | 2.5 | 174 | 0 | 0 | 0 | 0 | 0 | 115.6 | E95 K96 Y97 K103 | E95-G99 PolarHBondContact O-N 2.85Å; E95-G99 VanDerWaalsContact O-N 3.1Å; K96-G99 CarbonylContact O-C 3.58Å; K96-G99 PolarHBondContact O-N 3.39Å; K96-G99 VanDerWaalsContact O-N 3.16Å; Y97-G99 PolarHBondContact O-N 3.13Å; G99-K103 WeakPolarHBondContact O-CD 3.5Å; G99-K103 WeakPolarHBondContact O-CE 3.46Å; G99-K103 PolarHBondContact O-NZ 2.62Å |
| 100 | Q | 80.6 | Confident | 86.1 | Confident | 55 Ų | 55 | 70 Ų | 70 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -101.4 | -40.6 | 172.6 | -75.7 | 175.9 | -112.4 | 0 | 0 | 112.1 | K96 Y97 S98 D102 K103 L104 | K96-Q100 PolarHBondContact O-N 2.91Å; Y97-Q100 WeakPolarHBondContact O-CB 3.22Å; Y97-Q100 PolarHBondContact O-N 2.89Å; S98-Q100 VanDerWaalsContact C-N 3.32Å; Q100-D102 VanDerWaalsContact C-N 3.26Å; Q100-D102 PolarHBondContact O-N 2.85Å; Q100-K103 PolarHBondContact O-N 3.02Å; Q100-L104 HydrophobicContact CB-CD1 4.48Å; Q100-L104 PolarHBondContact O-N 2.76Å |
| 101 | L | 77.5 | Confident | 86.2 | Confident | 37 Ų | 37 | 65.4 Ų | 65.4 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -51.9 | -46.7 | 176.4 | 179 | 64.2 | 0 | 0 | 0 | 111.9 | T58 V59 I62 Y97 K103 L104 I105 | T58-L101 HydrophobicContact CG2-CD1 4.38Å; V59-L101 HydrophobicContact CG2-CD1 3.61Å; V59-L101 HydrophobicContact CG2-CD2 4.07Å; I62-L101 VanDerWaalsContact CD1-CA 3.49Å; I62-L101 HydrophobicContact CD1-CB 3.84Å; I62-L101 HydrophobicContact CD1-CD1 3.73Å; I62-L101 HydrophobicContact CD1-CG 4.42Å; Y97-L101 PolarHBondContact O-N 3.07Å; L101-K103 PolarHBondContact O-N 2.67Å; L101-L104 PolarHBondContact O-N 3.23Å; L101-I105 HydrophobicContact CD1-CD1 3.59Å; L101-I105 HydrophobicContact CD1-CG1 4.36Å; L101-I105 HydrophobicContact CG-CD1 4.43Å; L101-I105 PolarHBondContact O-N 2.89Å |
| 102 | D | 77.9 | Confident | 86.3 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.4 | -4 | 179.2 | -74.3 | 37.6 | 0 | 0 | 0 | 114.6 | Q100 K132 L136 | Q100-D102 VanDerWaalsContact C-N 3.26Å; Q100-D102 PolarHBondContact O-N 2.85Å; D102-K132 IonicContact OD1-NZ 2.69Å; D102-K132 PolarHBondContact OD1-NZ 2.99Å; D102-K132 IonicContact OD2-NZ 3.6Å; D102-K132 PolarHBondContact OD2-NZ 2.98Å; D102-L136 HydrophobicContact CB-CD2 3.63Å; D102-L136 WeakPolarHBondContact O-CD2 3.29Å; D102-L136 WeakPolarHBondContact OD2-CD2 3.36Å |
| 103 | K | 81.5 | Confident | 86.5 | Confident | 168 Ų | 168 | 54.1 Ų | 54.1 | 73% | 0.73 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -114.4 | -14.6 | 176.9 | -62.9 | 173.3 | -175.7 | 143 | 0 | 113.6 | G99 Q100 L101 | G99-K103 WeakPolarHBondContact O-CD 3.5Å; G99-K103 WeakPolarHBondContact O-CE 3.46Å; G99-K103 PolarHBondContact O-NZ 2.62Å; Q100-K103 PolarHBondContact O-N 3.02Å; L101-K103 PolarHBondContact O-N 2.67Å |
| 104 | L | 84.7 | Confident | 86.7 | Confident | 107 Ų | 107 | 53.7 Ų | 53.7 | 56% | 0.56 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -98.5 | -24.8 | -174.7 | -75.6 | 163.4 | 0 | 0 | 0 | 112.8 | T58 I62 Q100 L101 | T58-L104 HydrophobicContact CG2-CB 3.81Å; I62-L104 HydrophobicContact CD1-CD1 3.7Å; I62-L104 HydrophobicContact CG1-CD1 4.12Å; Q100-L104 HydrophobicContact CB-CD1 4.48Å; Q100-L104 PolarHBondContact O-N 2.76Å; L101-L104 PolarHBondContact O-N 3.23Å |
| 105 | I | 86.6 | Confident | 87 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -97.7 | 122.7 | 174.5 | -57.6 | 172.3 | 0 | 0 | 0 | 108.9 | I55 T58 L101 V109 Y110 | I55-I105 HydrophobicContact CB-CD1 4.32Å; I55-I105 HydrophobicContact CG1-CD1 4.22Å; I55-I105 HydrophobicContact CG1-CG2 4.43Å; I55-I105 HydrophobicContact CG2-CD1 4.13Å; T58-I105 HydrophobicContact CG2-CD1 4.35Å; T58-I105 HydrophobicContact CG2-CG1 3.88Å; L101-I105 HydrophobicContact CD1-CD1 3.59Å; L101-I105 HydrophobicContact CD1-CG1 4.36Å; L101-I105 HydrophobicContact CG-CD1 4.43Å; L101-I105 PolarHBondContact O-N 2.89Å; I105-V109 HydrophobicContact CG2-CB 4.06Å; I105-V109 HydrophobicContact CG2-CG1 4.17Å; I105-V109 HydrophobicContact CG2-CG2 4.31Å; I105-Y110 HydrophobicContact CB-CE2 4.11Å; I105-Y110 WeakPolarHBondContact CD1-OH 3.42Å; I105-Y110 HydrophobicContact CG2-CD2 4.21Å; I105-Y110 HydrophobicContact CG2-CE2 3.56Å |
| 106 | E | 88.6 | Confident | 87.3 | Confident | 110 Ų | 110 | 42.2 Ų | 42.2 | 51% | 0.514 | 22% | 0.217 | S | C | . | . | trans | -59.7 | 130.8 | 175.1 | -70.9 | -164.2 | 167.7 | 0 | 0 | 111 | L5 Q108 V109 | L5-E106 WeakPolarHBondContact CD2-OE2 3.41Å; E106-Q108 PolarHBondContact O-N 3.45Å; E106-V109 HydrophobicContact CB-CG2 4.39Å; E106-V109 VanDerWaalsContact O-CB 3.28Å; E106-V109 WeakPolarHBondContact O-CB 3.28Å; E106-V109 PolarHBondContact O-N 3.4Å | ||
| 107 | P | 90.6 | Very high | 87.6 | Confident | 40 Ų | 40 | 38.1 Ų | 38.1 | 26% | 0.26 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -55.3 | -30.8 | -179.9 | -28 | 36.1 | 0 | 0 | 0 | 113.5 | V109 Y110 L111 F133 L136 C137 | P107-V109 PolarHBondContact O-N 3.12Å; P107-Y110 PolarHBondContact O-N 3.41Å; P107-L111 PolarHBondContact O-N 2.94Å; P107-F133 HydrophobicContact CB-CD2 3.93Å; P107-F133 HydrophobicContact CB-CE2 4.15Å; P107-F133 WeakPolarHBondContact O-CD2 3.21Å; P107-L136 HydrophobicContact CB-CB 4.04Å; P107-L136 HydrophobicContact CB-CD1 4.23Å; P107-L136 HydrophobicContact CG-CB 3.9Å; P107-L136 HydrophobicContact CG-CD1 4.21Å; P107-C137 VanDerWaalsContact CB-SG 3.59Å |
| 108 | Q | 89.8 | Confident | 87.8 | Confident | 52 Ų | 52 | 37.4 Ų | 37.4 | 24% | 0.243 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.2 | -24 | 179.1 | -166.3 | 61.6 | 22 | 0 | 0 | 113.6 | L5 E106 L111 H112 | L5-Q108 HydrophobicContact CD1-CB 3.85Å; L5-Q108 HydrophobicContact CD1-CG 3.46Å; L5-Q108 VanDerWaalsContact CD1-CG 3.46Å; E106-Q108 PolarHBondContact O-N 3.45Å; Q108-L111 PolarHBondContact O-N 3.38Å; Q108-H112 PolarHBondContact NE2-CD2 3.4Å; Q108-H112 PolarHBondContact NE2-NE2 2.95Å; Q108-H112 PolarHBondContact O-CD2 3.01Å; Q108-H112 PolarHBondContact O-N 2.89Å |
| 109 | V | 91.7 | Very high | 88.4 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.8 | -51.7 | 169.3 | 167.8 | 0 | 0 | 0 | 0 | 110.2 | L5 F51 I55 I105 E106 P107 L111 H112 L113 | L5-V109 HydrophobicContact CD2-CG2 3.84Å; F51-V109 HydrophobicContact CB-CG1 4.12Å; F51-V109 HydrophobicContact CD1-CB 4.14Å; F51-V109 HydrophobicContact CD1-CG1 3.66Å; F51-V109 HydrophobicContact CD1-CG2 3.93Å; F51-V109 HydrophobicContact CE1-CG2 4.07Å; F51-V109 HydrophobicContact CG-CG1 4.22Å; I55-V109 HydrophobicContact CD1-CG1 4.04Å; I55-V109 HydrophobicContact CG1-CG1 4.05Å; I105-V109 HydrophobicContact CG2-CB 4.06Å; I105-V109 HydrophobicContact CG2-CG1 4.17Å; I105-V109 HydrophobicContact CG2-CG2 4.31Å; E106-V109 HydrophobicContact CB-CG2 4.39Å; E106-V109 VanDerWaalsContact O-CB 3.28Å; E106-V109 WeakPolarHBondContact O-CB 3.28Å; E106-V109 PolarHBondContact O-N 3.4Å; P107-V109 PolarHBondContact O-N 3.12Å; V109-L111 VanDerWaalsContact C-N 3.32Å; V109-L111 PolarHBondContact O-N 3.21Å; V109-H112 PolarHBondContact O-N 2.91Å; V109-L113 VanDerWaalsContact O-CB 3.26Å; V109-L113 WeakPolarHBondContact O-CB 3.34Å; V109-L113 PolarHBondContact O-N 3.24Å |
| 110 | Y | 94.1 | Very high | 89.1 | Confident | 21 Ų | 21 | 33.9 Ų | 33.9 | 8% | 0.082 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.6 | -32.8 | -179.5 | -66.9 | -70 | 0 | 0 | 0 | 112.7 | I55 I105 P107 G114 A129 K132 L136 | I55-Y110 HydrophobicContact CD1-CD1 4.1Å; I55-Y110 HydrophobicContact CD1-CE1 3.6Å; I55-Y110 HydrophobicContact CG1-CE1 4.09Å; I105-Y110 HydrophobicContact CB-CE2 4.11Å; I105-Y110 WeakPolarHBondContact CD1-OH 3.42Å; I105-Y110 HydrophobicContact CG2-CD2 4.21Å; I105-Y110 HydrophobicContact CG2-CE2 3.56Å; P107-Y110 PolarHBondContact O-N 3.41Å; Y110-G114 PolarHBondContact O-N 2.86Å; Y110-A129 WeakPolarHBondContact O-CB 3.46Å; Y110-K132 HydrophobicContact CD1-CB 3.92Å; Y110-K132 HydrophobicContact CD1-CG 3.8Å; Y110-K132 HydrophobicContact CD2-CB 4.44Å; Y110-K132 HydrophobicContact CD2-CG 3.77Å; Y110-K132 HydrophobicContact CE1-CB 4.22Å; Y110-K132 HydrophobicContact CE1-CG 3.7Å; Y110-K132 HydrophobicContact CE2-CG 3.64Å; Y110-K132 HydrophobicContact CG-CB 4.04Å; Y110-K132 HydrophobicContact CG-CG 3.83Å; Y110-L136 HydrophobicContact CD2-CD1 3.64Å; Y110-L136 HydrophobicContact CE2-CD1 3.75Å |
| 111 | L | 92.7 | Very high | 89.4 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.4 | -48.6 | 174.4 | -179.2 | 57.7 | 0 | 0 | 0 | 111.9 | P107 Q108 V109 G114 H115 Y130 F133 F147 | P107-L111 PolarHBondContact O-N 2.94Å; Q108-L111 PolarHBondContact O-N 3.38Å; V109-L111 VanDerWaalsContact C-N 3.32Å; V109-L111 PolarHBondContact O-N 3.21Å; L111-G114 PolarHBondContact O-N 3.49Å; L111-H115 PolarHBondContact O-N 2.99Å; L111-Y130 HydrophobicContact CD1-CD1 4.45Å; L111-Y130 HydrophobicContact CD1-CE1 4.22Å; L111-F133 HydrophobicContact CB-CD2 3.86Å; L111-F133 HydrophobicContact CB-CE2 4Å; L111-F133 HydrophobicContact CB-CG 4.11Å; L111-F133 HydrophobicContact CB-CZ 4.4Å; L111-F133 HydrophobicContact CD1-CD1 4.28Å; L111-F133 HydrophobicContact CD1-CE1 4.27Å; L111-F133 HydrophobicContact CD2-CE1 4.26Å; L111-F133 HydrophobicContact CD2-CE2 4.17Å; L111-F133 HydrophobicContact CD2-CZ 3.88Å; L111-F147 HydrophobicContact CD1-CB 3.77Å; L111-F147 HydrophobicContact CD1-CD2 3.84Å; L111-F147 HydrophobicContact CD1-CG 4.25Å |
| 112 | H | 92.2 | Very high | 90.2 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 6% | 0.06 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.4 | -41.2 | 178.4 | -79 | -50.6 | 0 | 0 | 0 | 112.3 | M1 Q108 V109 G114 H115 F116 | M1-H112 WeakPolarHBondContact CG-NE2 3.4Å; M1-H112 PolarHBondContact N-NE2 3.38Å; M1-H112 VanDerWaalsContact N-NE2 3.14Å; Q108-H112 PolarHBondContact NE2-CD2 3.4Å; Q108-H112 PolarHBondContact NE2-NE2 2.95Å; Q108-H112 PolarHBondContact O-CD2 3.01Å; Q108-H112 PolarHBondContact O-N 2.89Å; V109-H112 PolarHBondContact O-N 2.91Å; H112-G114 VanDerWaalsContact C-N 3.35Å; H112-G114 PolarHBondContact O-N 3.47Å; H112-H115 PolarHBondContact O-N 3.28Å; H112-F116 HydrophobicContact CB-CE2 3.88Å; H112-F116 HydrophobicContact CB-CZ 4.07Å; H112-F116 VanDerWaalsContact O-CD2 3.23Å; H112-F116 WeakPolarHBondContact O-CD2 3.37Å; H112-F116 WeakPolarHBondContact O-CG 3.29Å; H112-F116 PolarHBondContact O-N 3.14Å |
| 113 | L | 94.1 | Very high | 90.8 | Very high | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.4 | -46.5 | 171.9 | -176.7 | 65.8 | 0 | 0 | 0 | 111.4 | V48 F51 D52 I55 V109 H115 F116 Q117 A129 | V48-L113 HydrophobicContact CB-CD1 4.4Å; V48-L113 HydrophobicContact CG1-CD1 4.1Å; V48-L113 HydrophobicContact CG2-CD1 4.22Å; F51-L113 HydrophobicContact CB-CB 4.48Å; F51-L113 HydrophobicContact CB-CD1 4.26Å; D52-L113 WeakPolarHBondContact OD1-CD2 3.23Å; I55-L113 HydrophobicContact CD1-CD2 3.68Å; V109-L113 VanDerWaalsContact O-CB 3.26Å; V109-L113 WeakPolarHBondContact O-CB 3.34Å; V109-L113 PolarHBondContact O-N 3.24Å; L113-H115 VanDerWaalsContact C-N 3.33Å; L113-H115 PolarHBondContact O-N 3Å; L113-F116 PolarHBondContact O-N 3.5Å; L113-Q117 HydrophobicContact CD1-CG 3.9Å; L113-Q117 HydrophobicContact CG-CG 4.13Å; L113-Q117 WeakPolarHBondContact O-CB 3.29Å; L113-Q117 WeakPolarHBondContact O-CG 3.22Å; L113-Q117 PolarHBondContact O-N 3.06Å; L113-A129 HydrophobicContact CB-CB 4.31Å; L113-A129 HydrophobicContact CD2-CB 4.09Å; L113-A129 HydrophobicContact CG-CB 4.15Å |
| 114 | G | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.6 | -40.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y110 L111 H112 L118 Y130 | Y110-G114 PolarHBondContact O-N 2.86Å; L111-G114 PolarHBondContact O-N 3.49Å; H112-G114 VanDerWaalsContact C-N 3.35Å; H112-G114 PolarHBondContact O-N 3.47Å; G114-L118 WeakPolarHBondContact O-CB 3.38Å; G114-L118 PolarHBondContact O-N 3.37Å; G114-L118 VanDerWaalsContact O-N 3.15Å; G114-Y130 VanDerWaalsContact O-CZ 3.31Å; G114-Y130 PolarHBondContact O-OH 2.89Å; G114-Y130 VanDerWaalsContact O-OH 3.12Å |
| 115 | H | 93.5 | Very high | 91.9 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.019 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.9 | -47.8 | 173.2 | -69.5 | -21.7 | 0 | 0 | 0 | 112.4 | L111 H112 L113 L118 L119 Y130 | L111-H115 PolarHBondContact O-N 2.99Å; H112-H115 PolarHBondContact O-N 3.28Å; L113-H115 VanDerWaalsContact C-N 3.33Å; L113-H115 PolarHBondContact O-N 3Å; H115-L118 PolarHBondContact O-N 3.29Å; H115-L119 WeakPolarHBondContact O-CG 3.34Å; H115-L119 PolarHBondContact O-N 2.78Å; H115-Y130 WeakPolarHBondContact CA-OH 3.34Å; H115-Y130 AromaticContact CE1-CE1 3.93Å; H115-Y130 PolarHBondContact N-OH 3.39Å; H115-Y130 AromaticContact ND1-CE1 3.54Å; H115-Y130 AromaticContact ND1-CZ 3.66Å; H115-Y130 PolarHBondContact ND1-OH 2.99Å |
| 116 | F | 93.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.7 | -42 | -175.8 | -55.6 | -29.2 | 0 | 0 | 0 | 112.6 | M1 L19 L22 L44 A47 V48 F51 H112 L113 L118 L119 L120 | M1-F116 HydrophobicContact CE-CE2 3.86Å; M1-F116 HydrophobicContact CE-CZ 3.78Å; M1-F116 HydrophobicContact SD-CZ 4.43Å; L19-F116 HydrophobicContact CB-CZ 4.3Å; L19-F116 HydrophobicContact CD2-CE1 3.96Å; L19-F116 HydrophobicContact CD2-CE2 4.2Å; L19-F116 HydrophobicContact CD2-CZ 3.75Å; L22-F116 HydrophobicContact CB-CE1 4.2Å; L22-F116 WeakPolarHBondContact O-CE1 3.38Å; L44-F116 HydrophobicContact CD2-CB 3.78Å; L44-F116 HydrophobicContact CD2-CD1 3.31Å; L44-F116 HydrophobicContact CD2-CE1 4.08Å; L44-F116 HydrophobicContact CD2-CG 3.7Å; A47-F116 HydrophobicContact CB-CD2 3.84Å; A47-F116 HydrophobicContact CB-CE2 3.87Å; V48-F116 HydrophobicContact CG2-CB 3.73Å; F51-F116 HydrophobicContact CD2-CD2 4.42Å; F51-F116 HydrophobicContact CD2-CE2 4.16Å; F51-F116 AromaticContact CE2-CE2 3.92Å; F51-F116 HydrophobicContact CE2-CE2 3.92Å; H112-F116 HydrophobicContact CB-CE2 3.88Å; H112-F116 HydrophobicContact CB-CZ 4.07Å; H112-F116 VanDerWaalsContact O-CD2 3.23Å; H112-F116 WeakPolarHBondContact O-CD2 3.37Å; H112-F116 WeakPolarHBondContact O-CG 3.29Å; H112-F116 PolarHBondContact O-N 3.14Å; L113-F116 PolarHBondContact O-N 3.5Å; F116-L118 VanDerWaalsContact C-N 3.31Å; F116-L118 PolarHBondContact O-N 3.41Å; F116-L119 PolarHBondContact O-N 2.72Å; F116-L120 WeakPolarHBondContact O-CG 3.06Å; F116-L120 PolarHBondContact O-N 3.12Å |
| 117 | Q | 94.3 | Very high | 92.7 | Very high | 8 Ų | 8 | 27.9 Ų | 27.9 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.5 | -37.9 | 173.9 | -60.9 | -77.5 | 32.4 | 0 | 0 | 111 | V48 L113 L120 N121 R122 D125 A126 | V48-Q117 VanDerWaalsContact CG1-NE2 3.27Å; V48-Q117 HydrophobicContact CG2-CG 4.16Å; L113-Q117 HydrophobicContact CD1-CG 3.9Å; L113-Q117 HydrophobicContact CG-CG 4.13Å; L113-Q117 WeakPolarHBondContact O-CB 3.29Å; L113-Q117 WeakPolarHBondContact O-CG 3.22Å; L113-Q117 PolarHBondContact O-N 3.06Å; Q117-L120 CarbonylContact O-C 3.6Å; Q117-L120 PolarHBondContact O-N 3.28Å; Q117-N121 PolarHBondContact O-N 2.95Å; Q117-R122 HydrophobicContact CB-CB 4.27Å; Q117-R122 WeakPolarHBondContact O-CB 3.47Å; Q117-R122 PolarHBondContact O-N 3.07Å; Q117-D125 HydrophobicContact CB-CB 4.22Å; Q117-D125 HydrophobicContact CG-CB 4.05Å; Q117-A126 HydrophobicContact CB-CB 3.9Å |
| 118 | L | 91.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64 | -44.8 | 174.4 | 174.4 | 63.2 | 0 | 0 | 0 | 111.8 | F27 G114 H115 F116 L120 N121 F123 A126 Y130 L153 | F27-L118 HydrophobicContact CD2-CD1 3.81Å; F27-L118 HydrophobicContact CD2-CG 3.8Å; F27-L118 HydrophobicContact CE2-CD1 3.82Å; F27-L118 HydrophobicContact CE2-CG 4.3Å; F27-L118 HydrophobicContact CG-CG 4.41Å; G114-L118 WeakPolarHBondContact O-CB 3.38Å; G114-L118 PolarHBondContact O-N 3.37Å; G114-L118 VanDerWaalsContact O-N 3.15Å; H115-L118 PolarHBondContact O-N 3.29Å; F116-L118 VanDerWaalsContact C-N 3.31Å; F116-L118 PolarHBondContact O-N 3.41Å; L118-L120 PolarHBondContact O-N 3.12Å; L118-N121 PolarHBondContact O-N 2.67Å; L118-F123 HydrophobicContact CD1-CD1 3.95Å; L118-F123 HydrophobicContact CD1-CE1 3.72Å; L118-A126 HydrophobicContact CB-CB 3.94Å; L118-Y130 HydrophobicContact CB-CE2 4.45Å; L118-Y130 HydrophobicContact CD2-CE2 4.21Å; L118-Y130 WeakPolarHBondContact CD2-OH 3.28Å; L118-L153 HydrophobicContact CD1-CB 4.43Å; L118-L153 HydrophobicContact CD2-CD1 4.13Å |
| 119 | L | 89.7 | Confident | 93.2 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.6 | -31.3 | 175.4 | -69.9 | 174.3 | 0 | 0 | 0 | 112.1 | L22 E26 F27 F30 V32 L44 H115 F116 N121 | L22-L119 HydrophobicContact CB-CD1 4.07Å; L22-L119 HydrophobicContact CD2-CD1 4.39Å; E26-L119 HydrophobicContact CB-CD2 3.87Å; F27-L119 HydrophobicContact CB-CD2 4.23Å; F30-L119 HydrophobicContact CD1-CB 4.43Å; F30-L119 HydrophobicContact CD1-CD2 4.5Å; V32-L119 WeakPolarHBondContact CG2-O 3.35Å; L44-L119 HydrophobicContact CD1-CB 4.15Å; L44-L119 HydrophobicContact CD1-CD1 4.36Å; L44-L119 HydrophobicContact CD2-CD1 4.12Å; H115-L119 WeakPolarHBondContact O-CG 3.34Å; H115-L119 PolarHBondContact O-N 2.78Å; F116-L119 PolarHBondContact O-N 2.72Å; L119-N121 VanDerWaalsContact C-N 3.25Å; L119-N121 PolarHBondContact O-N 3.33Å |
| 120 | L | 90.5 | Very high | 93.4 | Very high | 15 Ų | 15 | 27.2 Ų | 27.2 | 8% | 0.079 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 11.5 | 172.9 | -65.8 | 174.3 | 0 | 0 | 0 | 114.4 | V32 R41 L44 E45 V48 F116 Q117 L118 R122 | V32-L120 HydrophobicContact CG2-CD2 4.09Å; R41-L120 HydrophobicContact CG-CD2 4.02Å; L44-L120 HydrophobicContact CB-CD1 4.29Å; L44-L120 HydrophobicContact CB-CD2 4.07Å; L44-L120 HydrophobicContact CB-CG 4.21Å; E45-L120 HydrophobicContact CG-CD1 3.87Å; E45-L120 HydrophobicContact CG-CD2 3.93Å; V48-L120 HydrophobicContact CG2-CD1 3.99Å; F116-L120 WeakPolarHBondContact O-CG 3.06Å; F116-L120 PolarHBondContact O-N 3.12Å; Q117-L120 CarbonylContact O-C 3.6Å; Q117-L120 PolarHBondContact O-N 3.28Å; L118-L120 PolarHBondContact O-N 3.12Å; L120-R122 HydrophobicContact CB-CG 4.38Å; L120-R122 PolarHBondContact O-N 3.33Å |
| 121 | N | 88.8 | Confident | 93.5 | Very high | 69 Ų | 69 | 29.3 Ų | 29.3 | 37% | 0.369 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 19.1 | -177.5 | -72.6 | -30 | 0 | 0 | 0 | 115.2 | F27 Q117 L118 L119 F123 | F27-N121 WeakPolarHBondContact CE2-OD1 3.22Å; Q117-N121 PolarHBondContact O-N 2.95Å; L118-N121 PolarHBondContact O-N 2.67Å; L119-N121 VanDerWaalsContact C-N 3.25Å; L119-N121 PolarHBondContact O-N 3.33Å; N121-F123 HydrophobicContact CB-CE2 4.17Å; N121-F123 WeakPolarHBondContact O-CD2 3.42Å; N121-F123 WeakPolarHBondContact O-CE2 3.46Å; N121-F123 PolarHBondContact O-N 3.04Å |
| 122 | R | 92.5 | Very high | 93.5 | Very high | 92 Ų | 92 | 31.5 Ų | 31.5 | 35% | 0.347 | 16% | 0.163 | S | C | . | . | trans | -91.5 | 74 | 178 | -65.8 | 168.8 | -179.4 | -177.1 | 1.2 | 110.7 | Q117 L120 D124 D125 A126 | Q117-R122 HydrophobicContact CB-CB 4.27Å; Q117-R122 WeakPolarHBondContact O-CB 3.47Å; Q117-R122 PolarHBondContact O-N 3.07Å; L120-R122 HydrophobicContact CB-CG 4.38Å; L120-R122 PolarHBondContact O-N 3.33Å; R122-D124 PolarHBondContact O-N 3.26Å; R122-D125 HydrophobicContact CB-CB 4.39Å; R122-D125 PolarHBondContact O-N 3.08Å; R122-A126 VanDerWaalsContact O-CB 3.3Å; R122-A126 WeakPolarHBondContact O-CB 3.48Å; R122-A126 PolarHBondContact O-N 3.34Å | ||
| 123 | F | 91.6 | Very high | 93.6 | Very high | 30 Ų | 30 | 30.9 Ų | 30.9 | 13% | 0.132 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.1 | -33.8 | -169.8 | -65 | -84.7 | 0 | 0 | 0 | 114.7 | F27 L118 N121 L127 R157 F158 | F27-F123 HydrophobicContact CE2-CE1 4.13Å; F27-F123 HydrophobicContact CE2-CZ 4.01Å; F27-F123 HydrophobicContact CZ-CE1 4.02Å; F27-F123 AromaticContact CZ-CZ 3.84Å; F27-F123 HydrophobicContact CZ-CZ 3.84Å; L118-F123 HydrophobicContact CD1-CD1 3.95Å; L118-F123 HydrophobicContact CD1-CE1 3.72Å; N121-F123 HydrophobicContact CB-CE2 4.17Å; N121-F123 WeakPolarHBondContact O-CD2 3.42Å; N121-F123 WeakPolarHBondContact O-CE2 3.46Å; N121-F123 PolarHBondContact O-N 3.04Å; F123-L127 VanDerWaalsContact O-CB 3.22Å; F123-L127 WeakPolarHBondContact O-CB 3.3Å; F123-L127 PolarHBondContact O-N 3.3Å; F123-R157 HydrophobicContact CB-CG 4.16Å; F123-R157 HydrophobicContact CD1-CB 3.92Å; F123-R157 HydrophobicContact CD1-CG 3.96Å; F123-R157 HydrophobicContact CD2-CG 3.95Å; F123-R157 HydrophobicContact CE1-CB 4.3Å; F123-R157 HydrophobicContact CE1-CG 4.36Å; F123-R157 HydrophobicContact CE2-CG 4.35Å; F123-R157 HydrophobicContact CG-CB 4.19Å; F123-R157 HydrophobicContact CG-CG 3.75Å; F123-F158 HydrophobicContact CB-CE2 3.96Å; F123-F158 HydrophobicContact CB-CZ 3.87Å |
| 124 | D | 94.4 | Very high | 93.6 | Very high | 104 Ų | 104 | 33.2 Ų | 33.2 | 56% | 0.556 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -68.5 | -45.1 | 179.8 | -57.7 | -94.3 | 0 | 0 | 0 | 111.8 | R122 S128 F158 | R122-D124 PolarHBondContact O-N 3.26Å; D124-S128 WeakPolarHBondContact O-CB 3.5Å; D124-S128 PolarHBondContact O-N 2.88Å; D124-S128 PolarHBondContact O-OG 3.1Å; D124-F158 HydrophobicContact CB-CZ 4.38Å; D124-F158 WeakPolarHBondContact OD1-CE1 3.24Å; D124-F158 WeakPolarHBondContact OD1-CZ 3.44Å |
| 125 | D | 95.4 | Very high | 93.5 | Very high | 81 Ų | 81 | 36.5 Ų | 36.5 | 43% | 0.433 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -68.1 | -44.5 | 177.3 | -53.4 | -44.8 | 0 | 0 | 0 | 110.5 | Q117 R122 L127 S128 A129 | Q117-D125 HydrophobicContact CB-CB 4.22Å; Q117-D125 HydrophobicContact CG-CB 4.05Å; R122-D125 HydrophobicContact CB-CB 4.39Å; R122-D125 PolarHBondContact O-N 3.08Å; D125-L127 PolarHBondContact O-N 2.97Å; D125-S128 WeakPolarHBondContact O-CB 3.49Å; D125-S128 PolarHBondContact O-N 3.42Å; D125-A129 PolarHBondContact O-N 3.42Å |
| 126 | A | 95.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.3 | -45.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q117 L118 R122 S128 A129 Y130 | Q117-A126 HydrophobicContact CB-CB 3.9Å; L118-A126 HydrophobicContact CB-CB 3.94Å; R122-A126 VanDerWaalsContact O-CB 3.3Å; R122-A126 WeakPolarHBondContact O-CB 3.48Å; R122-A126 PolarHBondContact O-N 3.34Å; A126-S128 VanDerWaalsContact C-N 3.32Å; A126-S128 PolarHBondContact O-N 3.13Å; A126-A129 PolarHBondContact O-N 3.07Å; A126-Y130 HydrophobicContact CB-CE2 4.27Å; A126-Y130 WeakPolarHBondContact O-CB 3.48Å; A126-Y130 WeakPolarHBondContact O-CD2 3.38Å; A126-Y130 VanDerWaalsContact O-CG 3.29Å; A126-Y130 PolarHBondContact O-N 3.4Å |
| 127 | L | 95.6 | Very high | 93.2 | Very high | 35 Ų | 35 | 39.2 Ų | 39.2 | 18% | 0.183 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 175.4 | 177.9 | 61 | 0 | 0 | 0 | 111.2 | F123 D125 Y130 L131 L151 C154 F158 | F123-L127 VanDerWaalsContact O-CB 3.22Å; F123-L127 WeakPolarHBondContact O-CB 3.3Å; F123-L127 PolarHBondContact O-N 3.3Å; D125-L127 PolarHBondContact O-N 2.97Å; L127-Y130 PolarHBondContact O-N 2.94Å; L127-L131 HydrophobicContact CD1-CD1 3.95Å; L127-L131 HydrophobicContact CD1-CD2 4.47Å; L127-L131 HydrophobicContact CD1-CG 4Å; L127-L131 HydrophobicContact CG-CD1 3.9Å; L127-L131 HydrophobicContact CG-CG 4.37Å; L127-L131 WeakPolarHBondContact O-CB 3.31Å; L127-L131 WeakPolarHBondContact O-CG 3.35Å; L127-L131 PolarHBondContact O-N 2.99Å; L127-L151 HydrophobicContact CD1-CD1 3.54Å; L127-C154 HydrophobicContact CB-CB 4.11Å; L127-C154 HydrophobicContact CD1-CB 4.14Å; L127-F158 HydrophobicContact CB-CE2 4.28Å; L127-F158 HydrophobicContact CD2-CD2 3.75Å; L127-F158 HydrophobicContact CD2-CE2 3.74Å |
| 128 | S | 95.3 | Very high | 92.8 | Very high | 77 Ų | 77 | 43 Ų | 43 | 54% | 0.538 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 179.9 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | D124 D125 A126 K132 | D124-S128 WeakPolarHBondContact O-CB 3.5Å; D124-S128 PolarHBondContact O-N 2.88Å; D124-S128 PolarHBondContact O-OG 3.1Å; D125-S128 WeakPolarHBondContact O-CB 3.49Å; D125-S128 PolarHBondContact O-N 3.42Å; A126-S128 VanDerWaalsContact C-N 3.32Å; A126-S128 PolarHBondContact O-N 3.13Å; S128-K132 PolarHBondContact O-N 3.38Å; S128-K132 VanDerWaalsContact O-N 3.17Å |
| 129 | A | 95.6 | Very high | 92.4 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.9 | -45 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y110 L113 D125 A126 L131 K132 F133 | Y110-A129 WeakPolarHBondContact O-CB 3.46Å; L113-A129 HydrophobicContact CB-CB 4.31Å; L113-A129 HydrophobicContact CD2-CB 4.09Å; L113-A129 HydrophobicContact CG-CB 4.15Å; D125-A129 PolarHBondContact O-N 3.42Å; A126-A129 PolarHBondContact O-N 3.07Å; A129-L131 PolarHBondContact O-N 3.3Å; A129-K132 PolarHBondContact O-N 3.47Å; A129-K132 VanDerWaalsContact O-N 3.16Å; A129-F133 PolarHBondContact O-N 2.92Å |
| 130 | Y | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 176.8 | -72.7 | -43.1 | 0 | 0 | 0 | 113.1 | L111 G114 H115 L118 A126 L127 K132 F133 E134 F147 G150 L151 | L111-Y130 HydrophobicContact CD1-CD1 4.45Å; L111-Y130 HydrophobicContact CD1-CE1 4.22Å; G114-Y130 VanDerWaalsContact O-CZ 3.31Å; G114-Y130 PolarHBondContact O-OH 2.89Å; G114-Y130 VanDerWaalsContact O-OH 3.12Å; H115-Y130 WeakPolarHBondContact CA-OH 3.34Å; H115-Y130 AromaticContact CE1-CE1 3.93Å; H115-Y130 PolarHBondContact N-OH 3.39Å; H115-Y130 AromaticContact ND1-CE1 3.54Å; H115-Y130 AromaticContact ND1-CZ 3.66Å; H115-Y130 PolarHBondContact ND1-OH 2.99Å; L118-Y130 HydrophobicContact CB-CE2 4.45Å; L118-Y130 HydrophobicContact CD2-CE2 4.21Å; L118-Y130 WeakPolarHBondContact CD2-OH 3.28Å; A126-Y130 HydrophobicContact CB-CE2 4.27Å; A126-Y130 WeakPolarHBondContact O-CB 3.48Å; A126-Y130 WeakPolarHBondContact O-CD2 3.38Å; A126-Y130 VanDerWaalsContact O-CG 3.29Å; A126-Y130 PolarHBondContact O-N 3.4Å; L127-Y130 PolarHBondContact O-N 2.94Å; Y130-K132 VanDerWaalsContact C-N 3.28Å; Y130-K132 PolarHBondContact O-N 3.05Å; Y130-F133 PolarHBondContact O-N 3.5Å; Y130-E134 PolarHBondContact O-N 3.3Å; Y130-F147 AromaticContact CD1-CD2 3.67Å; Y130-F147 HydrophobicContact CD1-CD2 3.67Å; Y130-F147 AromaticContact CD1-CE2 3.8Å; Y130-F147 HydrophobicContact CD1-CE2 3.8Å; Y130-F147 HydrophobicContact CE1-CD2 4.28Å; Y130-F147 HydrophobicContact CG-CD2 4.37Å; Y130-F147 HydrophobicContact CG-CE2 4.1Å; Y130-F147 WeakPolarHBondContact O-CE2 3.37Å; Y130-G150 VanDerWaalsContact CE2-C 3.49Å; Y130-L151 HydrophobicContact CD2-CB 4.36Å; Y130-L151 HydrophobicContact CG-CB 4.4Å |
| 131 | L | 95.2 | Very high | 92 | Very high | 65 Ų | 65 | 50.1 Ų | 50.1 | 34% | 0.34 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.1 | -33.1 | 175.9 | -69.9 | 171.1 | 0 | 0 | 0 | 111.9 | L127 A129 S135 | L127-L131 HydrophobicContact CD1-CD1 3.95Å; L127-L131 HydrophobicContact CD1-CD2 4.47Å; L127-L131 HydrophobicContact CD1-CG 4Å; L127-L131 HydrophobicContact CG-CD1 3.9Å; L127-L131 HydrophobicContact CG-CG 4.37Å; L127-L131 WeakPolarHBondContact O-CB 3.31Å; L127-L131 WeakPolarHBondContact O-CG 3.35Å; L127-L131 PolarHBondContact O-N 2.99Å; A129-L131 PolarHBondContact O-N 3.3Å; L131-S135 PolarHBondContact O-N 2.95Å |
| 132 | K | 93.6 | Very high | 91.8 | Very high | 50 Ų | 50 | 48.9 Ų | 48.9 | 22% | 0.217 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.2 | -46.1 | 174.1 | -169.5 | 55.3 | 170 | 179 | 0 | 111.4 | D102 Y110 S128 A129 Y130 E134 S135 L136 | D102-K132 IonicContact OD1-NZ 2.69Å; D102-K132 PolarHBondContact OD1-NZ 2.99Å; D102-K132 IonicContact OD2-NZ 3.6Å; D102-K132 PolarHBondContact OD2-NZ 2.98Å; Y110-K132 HydrophobicContact CD1-CB 3.92Å; Y110-K132 HydrophobicContact CD1-CG 3.8Å; Y110-K132 HydrophobicContact CD2-CB 4.44Å; Y110-K132 HydrophobicContact CD2-CG 3.77Å; Y110-K132 HydrophobicContact CE1-CB 4.22Å; Y110-K132 HydrophobicContact CE1-CG 3.7Å; Y110-K132 HydrophobicContact CE2-CG 3.64Å; Y110-K132 HydrophobicContact CG-CB 4.04Å; Y110-K132 HydrophobicContact CG-CG 3.83Å; S128-K132 PolarHBondContact O-N 3.38Å; S128-K132 VanDerWaalsContact O-N 3.17Å; A129-K132 PolarHBondContact O-N 3.47Å; A129-K132 VanDerWaalsContact O-N 3.16Å; Y130-K132 VanDerWaalsContact C-N 3.28Å; Y130-K132 PolarHBondContact O-N 3.05Å; K132-E134 VanDerWaalsContact C-N 3.33Å; K132-E134 PolarHBondContact O-N 2.93Å; K132-S135 PolarHBondContact O-N 3.34Å; K132-S135 VanDerWaalsContact O-N 3.13Å; K132-S135 PolarHBondContact O-OG 3.4Å; K132-L136 HydrophobicContact CD-CD1 4.45Å; K132-L136 HydrophobicContact CD-CG 4.44Å; K132-L136 HydrophobicContact CG-CD1 4.16Å; K132-L136 WeakPolarHBondContact O-CG 3.46Å; K132-L136 PolarHBondContact O-N 3.12Å; K132-L136 VanDerWaalsContact O-N 3.09Å |
| 133 | F | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.4 | -43.6 | 173.8 | 177.7 | -105.2 | 0 | 0 | 0 | 112.6 | P107 L111 A129 Y130 S135 L136 C137 F147 | P107-F133 HydrophobicContact CB-CD2 3.93Å; P107-F133 HydrophobicContact CB-CE2 4.15Å; P107-F133 WeakPolarHBondContact O-CD2 3.21Å; L111-F133 HydrophobicContact CB-CD2 3.86Å; L111-F133 HydrophobicContact CB-CE2 4Å; L111-F133 HydrophobicContact CB-CG 4.11Å; L111-F133 HydrophobicContact CB-CZ 4.4Å; L111-F133 HydrophobicContact CD1-CD1 4.28Å; L111-F133 HydrophobicContact CD1-CE1 4.27Å; L111-F133 HydrophobicContact CD2-CE1 4.26Å; L111-F133 HydrophobicContact CD2-CE2 4.17Å; L111-F133 HydrophobicContact CD2-CZ 3.88Å; A129-F133 PolarHBondContact O-N 2.92Å; Y130-F133 PolarHBondContact O-N 3.5Å; F133-S135 VanDerWaalsContact C-N 3.28Å; F133-S135 PolarHBondContact O-N 3.05Å; F133-L136 PolarHBondContact O-N 3.31Å; F133-C137 HydrophobicContact CE2-CB 4.18Å; F133-C137 HydrophobicContact CZ-CB 4.34Å; F133-C137 PolarHBondContact O-N 2.66Å; F133-F147 HydrophobicContact CB-CE2 4.46Å; F133-F147 HydrophobicContact CD1-CD1 4.4Å; F133-F147 AromaticContact CD1-CD2 3.44Å; F133-F147 HydrophobicContact CD1-CD2 3.44Å; F133-F147 VanDerWaalsContact CD1-CD2 3.44Å; F133-F147 AromaticContact CD1-CE2 3.59Å; F133-F147 HydrophobicContact CD1-CE2 3.59Å; F133-F147 AromaticContact CD1-CG 3.87Å; F133-F147 HydrophobicContact CD1-CG 3.87Å; F133-F147 HydrophobicContact CD1-CZ 4.14Å; F133-F147 HydrophobicContact CE1-CB 4.24Å; F133-F147 HydrophobicContact CE1-CD1 4.31Å; F133-F147 AromaticContact CE1-CD2 3.9Å; F133-F147 HydrophobicContact CE1-CD2 3.9Å; F133-F147 HydrophobicContact CE1-CE2 4.38Å; F133-F147 AromaticContact CE1-CG 3.85Å; F133-F147 HydrophobicContact CE1-CG 3.85Å; F133-F147 HydrophobicContact CG-CD2 4.48Å; F133-F147 HydrophobicContact CG-CE2 4.48Å |
| 134 | E | 94.3 | Very high | 91.3 | Very high | 58 Ų | 58 | 46.3 Ų | 46.3 | 27% | 0.271 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.4 | -39.8 | 176.1 | -165.1 | 179.5 | -137.6 | 0 | 0 | 112.4 | Y130 K132 F147 R163 | Y130-E134 PolarHBondContact O-N 3.3Å; K132-E134 VanDerWaalsContact C-N 3.33Å; K132-E134 PolarHBondContact O-N 2.93Å; E134-F147 HydrophobicContact CB-CZ 3.96Å; E134-F147 HydrophobicContact CG-CZ 4.33Å; E134-R163 IonicContact OE1-CZ 2.79Å; E134-R163 IonicContact OE1-NH2 3.85Å; E134-R163 PolarHBondContact OE1-NH2 3.31Å; E134-R163 IonicContact OE2-CZ 2.75Å; E134-R163 IonicContact OE2-NH2 3.17Å; E134-R163 PolarHBondContact OE2-NH2 3.47Å |
| 135 | S | 91.9 | Very high | 91 | Very high | 69 Ų | 69 | 41.5 Ų | 41.5 | 48% | 0.483 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -73.1 | -31.4 | 178.7 | 70.9 | 0 | 0 | 0 | 0 | 114.1 | L131 K132 F133 | L131-S135 PolarHBondContact O-N 2.95Å; K132-S135 PolarHBondContact O-N 3.34Å; K132-S135 VanDerWaalsContact O-N 3.13Å; K132-S135 PolarHBondContact O-OG 3.4Å; F133-S135 VanDerWaalsContact C-N 3.28Å; F133-S135 PolarHBondContact O-N 3.05Å |
| 136 | L | 90.9 | Very high | 90.8 | Very high | 34 Ų | 34 | 38 Ų | 38 | 18% | 0.178 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -84.2 | -38.5 | -178.1 | -64.5 | 175 | 0 | 0 | 0 | 112.4 | D102 P107 Y110 K132 F133 | D102-L136 HydrophobicContact CB-CD2 3.63Å; D102-L136 WeakPolarHBondContact O-CD2 3.29Å; D102-L136 WeakPolarHBondContact OD2-CD2 3.36Å; P107-L136 HydrophobicContact CB-CB 4.04Å; P107-L136 HydrophobicContact CB-CD1 4.23Å; P107-L136 HydrophobicContact CG-CB 3.9Å; P107-L136 HydrophobicContact CG-CD1 4.21Å; Y110-L136 HydrophobicContact CD2-CD1 3.64Å; Y110-L136 HydrophobicContact CE2-CD1 3.75Å; K132-L136 HydrophobicContact CD-CD1 4.45Å; K132-L136 HydrophobicContact CD-CG 4.44Å; K132-L136 HydrophobicContact CG-CD1 4.16Å; K132-L136 WeakPolarHBondContact O-CG 3.46Å; K132-L136 PolarHBondContact O-N 3.12Å; K132-L136 VanDerWaalsContact O-N 3.09Å; F133-L136 PolarHBondContact O-N 3.31Å |
| 137 | C | 89.4 | Confident | 90.7 | Very high | 27 Ų | 27 | 38 Ų | 38 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | trans | -124 | 69.3 | -179.9 | -74.5 | 0 | 0 | 0 | 0 | 112.9 | P107 F133 S139 E140 S141 | P107-C137 VanDerWaalsContact CB-SG 3.59Å; F133-C137 HydrophobicContact CE2-CB 4.18Å; F133-C137 HydrophobicContact CZ-CB 4.34Å; F133-C137 PolarHBondContact O-N 2.66Å; C137-S139 VanDerWaalsContact C-N 3.26Å; C137-S139 PolarHBondContact O-N 2.85Å; C137-E140 HydrophobicContact CB-CB 4.1Å; C137-E140 PolarHBondContact O-N 3.18Å; C137-S141 VanDerWaalsContact O-CB 3.25Å; C137-S141 WeakPolarHBondContact O-CB 3.5Å; C137-S141 PolarHBondContact O-N 3.4Å; C137-S141 PolarHBondContact O-OG 2.69Å | ||
| 138 | P | 86.8 | Confident | 90.7 | Very high | 87 Ų | 87 | 36.6 Ų | 36.6 | 57% | 0.565 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -61.4 | -28.3 | -178 | -25.5 | 35 | 0 | 0 | 0 | 115.1 | S141 | P138-S141 WeakPolarHBondContact CA-OG 3.43Å; P138-S141 PolarHBondContact O-OG 2.56Å |
| 139 | S | 82.7 | Confident | 90.6 | Very high | 94 Ų | 94 | 33 Ų | 33 | 66% | 0.657 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -73.9 | -54.2 | 177 | 48.5 | 0 | 0 | 0 | 0 | 111.5 | C137 S142 | C137-S139 VanDerWaalsContact C-N 3.26Å; C137-S139 PolarHBondContact O-N 2.85Å; S139-S142 PolarHBondContact O-N 3.11Å; S139-S142 PolarHBondContact O-OG 2.86Å |
| 140 | E | 84.9 | Confident | 90.5 | Very high | 71 Ų | 71 | 32.7 Ų | 32.7 | 33% | 0.332 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.5 | -47.4 | -178 | -164.6 | -164.6 | 149.2 | 0 | 0 | 111.6 | C137 S142 T143 N144 | C137-E140 HydrophobicContact CB-CB 4.1Å; C137-E140 PolarHBondContact O-N 3.18Å; E140-S142 PolarHBondContact O-N 3.3Å; E140-S142 VanDerWaalsContact O-N 3.1Å; E140-T143 CarbonylContact O-C 3.6Å; E140-T143 WeakPolarHBondContact O-CA 3.5Å; E140-T143 PolarHBondContact O-N 3.21Å; E140-T143 PolarHBondContact O-OG1 3.23Å; E140-N144 WeakPolarHBondContact O-CB 3.44Å; E140-N144 PolarHBondContact O-N 2.76Å; E140-N144 PolarHBondContact OE1-ND2 3.25Å |
| 141 | S | 86.4 | Confident | 90.5 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 4% | 0.035 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.1 | -28.8 | 177.1 | 59 | 0 | 0 | 0 | 0 | 113.1 | C137 P138 T143 F147 L148 | C137-S141 VanDerWaalsContact O-CB 3.25Å; C137-S141 WeakPolarHBondContact O-CB 3.5Å; C137-S141 PolarHBondContact O-N 3.4Å; C137-S141 PolarHBondContact O-OG 2.69Å; P138-S141 WeakPolarHBondContact CA-OG 3.43Å; P138-S141 PolarHBondContact O-OG 2.56Å; S141-T143 VanDerWaalsContact C-N 3.27Å; S141-T143 PolarHBondContact O-N 3.39Å; S141-F147 WeakPolarHBondContact O-CD1 3.47Å; S141-L148 WeakPolarHBondContact O-CD2 3.18Å; S141-L148 WeakPolarHBondContact O-CG 3.07Å |
| 142 | S | 85.6 | Confident | 90.4 | Very high | 42 Ų | 42 | 29.6 Ų | 29.6 | 29% | 0.294 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -15.1 | 174.3 | 80.8 | 0 | 0 | 0 | 0 | 114.5 | S139 E140 Q170 I856 | S139-S142 PolarHBondContact O-N 3.11Å; S139-S142 PolarHBondContact O-OG 2.86Å; E140-S142 PolarHBondContact O-N 3.3Å; E140-S142 VanDerWaalsContact O-N 3.1Å; S142-Q170 PolarHBondContact O-NE2 3.4Å; S142-I856 WeakPolarHBondContact O-CD1 3.46Å |
| 143 | T | 84.6 | Confident | 90.4 | Very high | 48 Ų | 48 | 27.3 Ų | 27.3 | 29% | 0.294 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -20.2 | -176.1 | 61.9 | 0 | 0 | 0 | 0 | 114.4 | E140 S141 C145 | E140-T143 CarbonylContact O-C 3.6Å; E140-T143 WeakPolarHBondContact O-CA 3.5Å; E140-T143 PolarHBondContact O-N 3.21Å; E140-T143 PolarHBondContact O-OG1 3.23Å; S141-T143 VanDerWaalsContact C-N 3.27Å; S141-T143 PolarHBondContact O-N 3.39Å; T143-C145 PolarHBondContact O-N 3.36Å; T143-C145 VanDerWaalsContact O-N 3.15Å |
| 144 | N | 88.1 | Confident | 90.4 | Very high | 21 Ų | 21 | 27.3 Ų | 27.3 | 11% | 0.112 | 17% | 0.167 | C | C | . | . | trans | -75.1 | 100.3 | -178.3 | -175.7 | -38.5 | 0 | 0 | 0 | 110.7 | E140 S146 F147 L148 | E140-N144 WeakPolarHBondContact O-CB 3.44Å; E140-N144 PolarHBondContact O-N 2.76Å; E140-N144 PolarHBondContact OE1-ND2 3.25Å; N144-S146 PolarHBondContact O-N 2.95Å; N144-S146 PolarHBondContact OD1-N 3.41Å; N144-S146 PolarHBondContact OD1-OG 2.67Å; N144-F147 HydrophobicContact CB-CB 3.95Å; N144-F147 WeakPolarHBondContact O-CB 3.41Å; N144-F147 PolarHBondContact O-N 2.82Å; N144-F147 WeakPolarHBondContact OD1-CB 3.26Å; N144-F147 PolarHBondContact OD1-N 3Å; N144-L148 VanDerWaalsContact O-CG 3.31Å; N144-L148 WeakPolarHBondContact O-CG 3.22Å; N144-L148 PolarHBondContact O-N 2.88Å | ||
| 145 | C | 89.3 | Confident | 90.3 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.02 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.5 | -31.4 | -172.8 | -72.3 | 0 | 0 | 0 | 0 | 114.9 | T143 Y149 V171 Q175 F178 | T143-C145 PolarHBondContact O-N 3.36Å; T143-C145 VanDerWaalsContact O-N 3.15Å; C145-Y149 VanDerWaalsContact O-CB 3.28Å; C145-Y149 WeakPolarHBondContact O-CB 3.32Å; C145-Y149 PolarHBondContact O-N 3.15Å; C145-V171 HydrophobicContact CB-CG1 4.28Å; C145-V171 HydrophobicContact CB-CG2 4.44Å; C145-Q175 VanDerWaalsContact SG-CD 3.53Å; C145-F178 HydrophobicContact CB-CD2 4Å; C145-F178 HydrophobicContact CB-CE2 3.74Å |
| 146 | S | 89.8 | Confident | 90.2 | Very high | 7 Ų | 7 | 22.3 Ų | 22.3 | 5% | 0.049 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -73.3 | -41 | 175.9 | 43.2 | 0 | 0 | 0 | 0 | 111.1 | D23 S24 N144 L148 Y149 G150 | D23-S146 WeakPolarHBondContact OD2-CB 3.49Å; D23-S146 PolarHBondContact OD2-OG 3.3Å; S24-S146 WeakPolarHBondContact CB-O 3.34Å; S24-S146 WeakPolarHBondContact OG-CA 3.4Å; S24-S146 VanDerWaalsContact OG-CB 3.28Å; S24-S146 WeakPolarHBondContact OG-CB 3.46Å; S24-S146 PolarHBondContact OG-O 3.25Å; N144-S146 PolarHBondContact O-N 2.95Å; N144-S146 PolarHBondContact OD1-N 3.41Å; N144-S146 PolarHBondContact OD1-OG 2.67Å; S146-L148 PolarHBondContact O-N 3.13Å; S146-Y149 PolarHBondContact O-N 2.9Å; S146-G150 PolarHBondContact O-N 3.15Å |
| 147 | F | 93.6 | Very high | 90 | Very high | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -53.4 | -53.9 | 166.8 | 167.3 | -101.7 | 0 | 0 | 0 | 112.3 | L111 Y130 F133 E134 S141 N144 Y149 G150 L151 | L111-F147 HydrophobicContact CD1-CB 3.77Å; L111-F147 HydrophobicContact CD1-CD2 3.84Å; L111-F147 HydrophobicContact CD1-CG 4.25Å; Y130-F147 AromaticContact CD1-CD2 3.67Å; Y130-F147 HydrophobicContact CD1-CD2 3.67Å; Y130-F147 AromaticContact CD1-CE2 3.8Å; Y130-F147 HydrophobicContact CD1-CE2 3.8Å; Y130-F147 HydrophobicContact CE1-CD2 4.28Å; Y130-F147 HydrophobicContact CG-CD2 4.37Å; Y130-F147 HydrophobicContact CG-CE2 4.1Å; Y130-F147 WeakPolarHBondContact O-CE2 3.37Å; F133-F147 HydrophobicContact CB-CE2 4.46Å; F133-F147 HydrophobicContact CD1-CD1 4.4Å; F133-F147 AromaticContact CD1-CD2 3.44Å; F133-F147 HydrophobicContact CD1-CD2 3.44Å; F133-F147 VanDerWaalsContact CD1-CD2 3.44Å; F133-F147 AromaticContact CD1-CE2 3.59Å; F133-F147 HydrophobicContact CD1-CE2 3.59Å; F133-F147 AromaticContact CD1-CG 3.87Å; F133-F147 HydrophobicContact CD1-CG 3.87Å; F133-F147 HydrophobicContact CD1-CZ 4.14Å; F133-F147 HydrophobicContact CE1-CB 4.24Å; F133-F147 HydrophobicContact CE1-CD1 4.31Å; F133-F147 AromaticContact CE1-CD2 3.9Å; F133-F147 HydrophobicContact CE1-CD2 3.9Å; F133-F147 HydrophobicContact CE1-CE2 4.38Å; F133-F147 AromaticContact CE1-CG 3.85Å; F133-F147 HydrophobicContact CE1-CG 3.85Å; F133-F147 HydrophobicContact CG-CD2 4.48Å; F133-F147 HydrophobicContact CG-CE2 4.48Å; E134-F147 HydrophobicContact CB-CZ 3.96Å; E134-F147 HydrophobicContact CG-CZ 4.33Å; S141-F147 WeakPolarHBondContact O-CD1 3.47Å; N144-F147 HydrophobicContact CB-CB 3.95Å; N144-F147 WeakPolarHBondContact O-CB 3.41Å; N144-F147 PolarHBondContact O-N 2.82Å; N144-F147 WeakPolarHBondContact OD1-CB 3.26Å; N144-F147 PolarHBondContact OD1-N 3Å; F147-Y149 VanDerWaalsContact C-N 3.29Å; F147-Y149 PolarHBondContact O-N 3.04Å; F147-G150 PolarHBondContact O-N 3.07Å; F147-L151 HydrophobicContact CE1-CD2 4.09Å; F147-L151 HydrophobicContact CE2-CB 4.38Å; F147-L151 HydrophobicContact CE2-CD2 4.37Å; F147-L151 HydrophobicContact CZ-CB 4.3Å; F147-L151 HydrophobicContact CZ-CD2 3.62Å; F147-L151 WeakPolarHBondContact O-CB 3.39Å; F147-L151 PolarHBondContact O-N 3.47Å |
| 148 | L | 94.8 | Very high | 90 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.3 | -36.7 | -177.5 | -70.9 | 169.4 | 0 | 0 | 0 | 112.4 | S141 N144 S146 G152 L167 Q170 V171 L174 | S141-L148 WeakPolarHBondContact O-CD2 3.18Å; S141-L148 WeakPolarHBondContact O-CG 3.07Å; N144-L148 VanDerWaalsContact O-CG 3.31Å; N144-L148 WeakPolarHBondContact O-CG 3.22Å; N144-L148 PolarHBondContact O-N 2.88Å; S146-L148 PolarHBondContact O-N 3.13Å; L148-G152 PolarHBondContact O-N 3.07Å; L148-L167 HydrophobicContact CD2-CD2 3.54Å; L148-Q170 HydrophobicContact CD1-CG 4Å; L148-V171 HydrophobicContact CB-CG2 3.48Å; L148-V171 VanDerWaalsContact CB-CG2 3.48Å; L148-V171 HydrophobicContact CD1-CG2 4.22Å; L148-L174 HydrophobicContact CD1-CD1 4Å |
| 149 | Y | 94.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.8 | -47.5 | 174.7 | 175.9 | -111.3 | 0 | 0 | 0 | 112 | S24 L25 C145 S146 F147 G152 L153 F168 F178 K180 I184 | S24-Y149 WeakPolarHBondContact O-CE1 3.4Å; L25-Y149 HydrophobicContact CD2-CD1 3.98Å; L25-Y149 HydrophobicContact CD2-CE1 4.34Å; C145-Y149 VanDerWaalsContact O-CB 3.28Å; C145-Y149 WeakPolarHBondContact O-CB 3.32Å; C145-Y149 PolarHBondContact O-N 3.15Å; S146-Y149 PolarHBondContact O-N 2.9Å; F147-Y149 VanDerWaalsContact C-N 3.29Å; F147-Y149 PolarHBondContact O-N 3.04Å; Y149-G152 CarbonylContact O-C 3.53Å; Y149-G152 WeakPolarHBondContact O-CA 3.34Å; Y149-G152 PolarHBondContact O-N 3.5Å; Y149-G152 VanDerWaalsContact O-N 3.12Å; Y149-L153 HydrophobicContact CD1-CD1 4.06Å; Y149-L153 HydrophobicContact CE1-CD1 3.58Å; Y149-L153 HydrophobicContact CE1-CG 4.4Å; Y149-L153 HydrophobicContact CE2-CD1 4.29Å; Y149-L153 HydrophobicContact CE2-CD2 4.39Å; Y149-L153 HydrophobicContact CE2-CG 4.29Å; Y149-L153 WeakPolarHBondContact O-CG 3.17Å; Y149-L153 PolarHBondContact O-N 3.04Å; Y149-F168 AromaticContact CD2-CE1 3.94Å; Y149-F168 HydrophobicContact CD2-CE1 3.94Å; Y149-F168 HydrophobicContact CE2-CE1 4.44Å; Y149-F178 HydrophobicContact CD1-CE1 4.45Å; Y149-F178 HydrophobicContact CD1-CZ 4.2Å; Y149-F178 AromaticContact CD2-CE1 3.78Å; Y149-F178 HydrophobicContact CD2-CE1 3.78Å; Y149-F178 HydrophobicContact CD2-CZ 4.17Å; Y149-F178 HydrophobicContact CE2-CE1 4.34Å; Y149-F178 AromaticContact CG-CE1 3.85Å; Y149-F178 HydrophobicContact CG-CE1 3.85Å; Y149-F178 AromaticContact CG-CZ 3.74Å; Y149-F178 HydrophobicContact CG-CZ 3.74Å; Y149-K180 HydrophobicContact CE1-CB 4.28Å; Y149-K180 HydrophobicContact CE1-CG 4.06Å; Y149-K180 HydrophobicContact CE2-CB 3.87Å; Y149-I184 HydrophobicContact CD2-CD1 3.97Å; Y149-I184 HydrophobicContact CD2-CG1 3.86Å; Y149-I184 HydrophobicContact CE2-CD1 4.46Å; Y149-I184 HydrophobicContact CE2-CG1 3.92Å |
| 150 | G | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.9 | -48.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y130 S146 F147 G152 L153 C154 | Y130-G150 VanDerWaalsContact CE2-C 3.49Å; S146-G150 PolarHBondContact O-N 3.15Å; F147-G150 PolarHBondContact O-N 3.07Å; G150-G152 VanDerWaalsContact C-N 3.28Å; G150-G152 PolarHBondContact O-N 3.22Å; G150-L153 WeakPolarHBondContact O-CB 3.31Å; G150-L153 PolarHBondContact O-N 3.48Å; G150-C154 PolarHBondContact O-N 3.01Å |
| 151 | L | 95.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.8 | -35.6 | 173 | 178.9 | 60.8 | 0 | 0 | 0 | 111.6 | L127 Y130 F147 C154 C155 L167 | L127-L151 HydrophobicContact CD1-CD1 3.54Å; Y130-L151 HydrophobicContact CD2-CB 4.36Å; Y130-L151 HydrophobicContact CG-CB 4.4Å; F147-L151 HydrophobicContact CE1-CD2 4.09Å; F147-L151 HydrophobicContact CE2-CB 4.38Å; F147-L151 HydrophobicContact CE2-CD2 4.37Å; F147-L151 HydrophobicContact CZ-CB 4.3Å; F147-L151 HydrophobicContact CZ-CD2 3.62Å; F147-L151 WeakPolarHBondContact O-CB 3.39Å; F147-L151 PolarHBondContact O-N 3.47Å; L151-C154 PolarHBondContact O-N 2.99Å; L151-C155 WeakPolarHBondContact O-CB 3.44Å; L151-C155 PolarHBondContact O-N 3.19Å; L151-C155 PolarHBondContact O-SG 3.34Å; L151-L167 HydrophobicContact CB-CD1 4.33Å; L151-L167 HydrophobicContact CD2-CD1 4.09Å; L151-L167 HydrophobicContact CD2-CD2 4.23Å; L151-L167 HydrophobicContact CG-CD1 3.8Å |
| 152 | G | 94.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.9 | -39.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L148 Y149 G150 C155 F156 T164 | L148-G152 PolarHBondContact O-N 3.07Å; Y149-G152 CarbonylContact O-C 3.53Å; Y149-G152 WeakPolarHBondContact O-CA 3.34Å; Y149-G152 PolarHBondContact O-N 3.5Å; Y149-G152 VanDerWaalsContact O-N 3.12Å; G150-G152 VanDerWaalsContact C-N 3.28Å; G150-G152 PolarHBondContact O-N 3.22Å; G152-C155 PolarHBondContact O-N 3.28Å; G152-F156 WeakPolarHBondContact O-CB 3.42Å; G152-F156 PolarHBondContact O-N 3.08Å; G152-T164 PolarHBondContact O-OG1 3.24Å |
| 153 | L | 92.7 | Very high | 90.6 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66 | -45.2 | 173.3 | -70.7 | 170.7 | 0 | 0 | 0 | 112.1 | F27 L118 Y149 G150 F156 R157 F168 | F27-L153 HydrophobicContact CB-CD1 4.13Å; F27-L153 HydrophobicContact CD1-CD1 3.59Å; F27-L153 HydrophobicContact CD1-CD2 4.34Å; F27-L153 HydrophobicContact CE1-CD1 4.24Å; F27-L153 HydrophobicContact CE1-CD2 4.38Å; F27-L153 HydrophobicContact CG-CD1 3.91Å; L118-L153 HydrophobicContact CD1-CB 4.43Å; L118-L153 HydrophobicContact CD2-CD1 4.13Å; Y149-L153 HydrophobicContact CD1-CD1 4.06Å; Y149-L153 HydrophobicContact CE1-CD1 3.58Å; Y149-L153 HydrophobicContact CE1-CG 4.4Å; Y149-L153 HydrophobicContact CE2-CD1 4.29Å; Y149-L153 HydrophobicContact CE2-CD2 4.39Å; Y149-L153 HydrophobicContact CE2-CG 4.29Å; Y149-L153 WeakPolarHBondContact O-CG 3.17Å; Y149-L153 PolarHBondContact O-N 3.04Å; G150-L153 WeakPolarHBondContact O-CB 3.31Å; G150-L153 PolarHBondContact O-N 3.48Å; L153-F156 WeakPolarHBondContact O-CB 3.2Å; L153-F156 PolarHBondContact O-N 2.8Å; L153-R157 PolarHBondContact O-N 3.06Å; L153-F168 HydrophobicContact CD2-CZ 4.49Å |
| 154 | C | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.6 | -50.3 | 172 | -69.5 | 0 | 0 | 0 | 0 | 111.2 | L127 G150 L151 F156 R157 F158 | L127-C154 HydrophobicContact CB-CB 4.11Å; L127-C154 HydrophobicContact CD1-CB 4.14Å; G150-C154 PolarHBondContact O-N 3.01Å; L151-C154 PolarHBondContact O-N 2.99Å; C154-F156 PolarHBondContact O-N 2.91Å; C154-R157 PolarHBondContact O-N 3.47Å; C154-R157 VanDerWaalsContact O-N 3.1Å; C154-F158 WeakPolarHBondContact O-CD2 3.49Å; C154-F158 PolarHBondContact O-N 2.8Å |
| 155 | C | 92.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.027 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.2 | -34.2 | 177.4 | -67.5 | 0 | 0 | 0 | 0 | 112.5 | L151 G152 N159 V160 T164 | L151-C155 WeakPolarHBondContact O-CB 3.44Å; L151-C155 PolarHBondContact O-N 3.19Å; L151-C155 PolarHBondContact O-SG 3.34Å; G152-C155 PolarHBondContact O-N 3.28Å; C155-N159 PolarHBondContact O-N 3.33Å; C155-V160 HydrophobicContact CB-CB 4.26Å; C155-V160 PolarHBondContact O-N 2.97Å; C155-T164 WeakPolarHBondContact CB-OG1 3.28Å |
| 156 | F | 89.6 | Confident | 91.3 | Very high | 18 Ų | 18 | 32 Ų | 32 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.5 | -46.3 | 175 | 179.7 | -86.4 | 0 | 0 | 0 | 111.1 | G152 L153 C154 F158 N159 T164 R187 Y190 I191 L689 | G152-F156 WeakPolarHBondContact O-CB 3.42Å; G152-F156 PolarHBondContact O-N 3.08Å; L153-F156 WeakPolarHBondContact O-CB 3.2Å; L153-F156 PolarHBondContact O-N 2.8Å; C154-F156 PolarHBondContact O-N 2.91Å; F156-F158 PolarHBondContact O-N 2.98Å; F156-N159 PolarHBondContact O-N 2.82Å; F156-T164 HydrophobicContact CB-CG2 4.05Å; F156-T164 HydrophobicContact CD2-CG2 4.33Å; F156-T164 PolarHBondContact N-OG1 3.22Å; F156-T164 VanDerWaalsContact N-OG1 3.09Å; F156-R187 HydrophobicContact CD2-CB 3.93Å; F156-R187 HydrophobicContact CD2-CG 4.16Å; F156-R187 HydrophobicContact CE2-CB 3.65Å; F156-R187 HydrophobicContact CE2-CG 3.77Å; F156-R187 HydrophobicContact CZ-CB 4.39Å; F156-R187 HydrophobicContact CZ-CG 4.02Å; F156-Y190 AromaticContact CE2-CD1 3.96Å; F156-Y190 HydrophobicContact CE2-CD1 3.96Å; F156-Y190 AromaticContact CZ-CD1 3.8Å; F156-Y190 HydrophobicContact CZ-CD1 3.8Å; F156-Y190 HydrophobicContact CZ-CE1 4.3Å; F156-I191 HydrophobicContact CD2-CD1 4.06Å; F156-I191 HydrophobicContact CD2-CG1 4.25Å; F156-I191 HydrophobicContact CE2-CD1 4.41Å; F156-I191 HydrophobicContact CE2-CG1 4.17Å; F156-L689 HydrophobicContact CE1-CD2 4.23Å; F156-L689 HydrophobicContact CZ-CD2 4.43Å |
| 157 | R | 87.9 | Confident | 91.6 | Very high | 111 Ų | 111 | 32.1 Ų | 32.1 | 42% | 0.419 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -59.2 | -35.1 | -179.6 | -176.2 | 62.5 | 176.2 | 120.5 | -14.4 | 112.9 | F123 L153 C154 F688 | F123-R157 HydrophobicContact CB-CG 4.16Å; F123-R157 HydrophobicContact CD1-CB 3.92Å; F123-R157 HydrophobicContact CD1-CG 3.96Å; F123-R157 HydrophobicContact CD2-CG 3.95Å; F123-R157 HydrophobicContact CE1-CB 4.3Å; F123-R157 HydrophobicContact CE1-CG 4.36Å; F123-R157 HydrophobicContact CE2-CG 4.35Å; F123-R157 HydrophobicContact CG-CB 4.19Å; F123-R157 HydrophobicContact CG-CG 3.75Å; L153-R157 PolarHBondContact O-N 3.06Å; C154-R157 PolarHBondContact O-N 3.47Å; C154-R157 VanDerWaalsContact O-N 3.1Å; R157-F688 VanDerWaalsContact NH1-CZ 3.27Å |
| 158 | F | 88.4 | Confident | 91.7 | Very high | 74 Ų | 74 | 32.1 Ų | 32.1 | 33% | 0.325 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 16.2 | 177.4 | -59.6 | -67.4 | 0 | 0 | 0 | 114.1 | F123 D124 L127 C154 F156 V160 | F123-F158 HydrophobicContact CB-CE2 3.96Å; F123-F158 HydrophobicContact CB-CZ 3.87Å; D124-F158 HydrophobicContact CB-CZ 4.38Å; D124-F158 WeakPolarHBondContact OD1-CE1 3.24Å; D124-F158 WeakPolarHBondContact OD1-CZ 3.44Å; L127-F158 HydrophobicContact CB-CE2 4.28Å; L127-F158 HydrophobicContact CD2-CD2 3.75Å; L127-F158 HydrophobicContact CD2-CE2 3.74Å; C154-F158 WeakPolarHBondContact O-CD2 3.49Å; C154-F158 PolarHBondContact O-N 2.8Å; F156-F158 PolarHBondContact O-N 2.98Å; F158-V160 HydrophobicContact CB-CG2 4.02Å; F158-V160 PolarHBondContact O-N 3.02Å; F158-V160 VanDerWaalsContact O-N 3.17Å |
| 159 | N | 85.7 | Confident | 91.6 | Very high | 92 Ų | 92 | 32.5 Ų | 32.5 | 49% | 0.492 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 25.3 | 178.1 | -61.9 | -33.8 | 0 | 0 | 0 | 115.3 | C155 F156 F161 | C155-N159 PolarHBondContact O-N 3.33Å; F156-N159 PolarHBondContact O-N 2.82Å; N159-F161 HydrophobicContact CB-CE1 3.99Å; N159-F161 HydrophobicContact CB-CE2 3.99Å; N159-F161 HydrophobicContact CB-CZ 3.6Å; N159-F161 PolarHBondContact O-N 2.81Å; N159-F161 VanDerWaalsContact OD1-CZ 3.25Å; N159-F161 WeakPolarHBondContact OD1-CZ 3.4Å |
| 160 | V | 88.3 | Confident | 91.6 | Very high | 72 Ų | 72 | 34.3 Ų | 34.3 | 44% | 0.436 | 16% | 0.156 | S | C | . | . | trans | -82.8 | 53.1 | -179.9 | -163 | 0 | 0 | 0 | 0 | 110.5 | C155 F158 N162 R163 T164 | C155-V160 HydrophobicContact CB-CB 4.26Å; C155-V160 PolarHBondContact O-N 2.97Å; F158-V160 HydrophobicContact CB-CG2 4.02Å; F158-V160 PolarHBondContact O-N 3.02Å; F158-V160 VanDerWaalsContact O-N 3.17Å; V160-N162 VanDerWaalsContact C-N 3.33Å; V160-N162 PolarHBondContact O-N 3.36Å; V160-N162 VanDerWaalsContact O-N 3.14Å; V160-R163 HydrophobicContact CG1-CB 3.89Å; V160-R163 PolarHBondContact O-N 3.04Å; V160-T164 PolarHBondContact O-N 3.42Å; V160-T164 VanDerWaalsContact O-N 3.14Å | ||
| 161 | F | 88.5 | Confident | 91.5 | Very high | 34 Ų | 34 | 34.3 Ų | 34.3 | 15% | 0.149 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -53.7 | -40.9 | -163.2 | -61 | -41.4 | 0 | 0 | 0 | 114.8 | N159 R163 T164 I165 I191 I194 | N159-F161 HydrophobicContact CB-CE1 3.99Å; N159-F161 HydrophobicContact CB-CE2 3.99Å; N159-F161 HydrophobicContact CB-CZ 3.6Å; N159-F161 PolarHBondContact O-N 2.81Å; N159-F161 VanDerWaalsContact OD1-CZ 3.25Å; N159-F161 WeakPolarHBondContact OD1-CZ 3.4Å; F161-R163 VanDerWaalsContact C-N 3.28Å; F161-R163 PolarHBondContact O-N 3.05Å; F161-T164 PolarHBondContact O-N 3.14Å; F161-I165 WeakPolarHBondContact O-CG1 3.36Å; F161-I165 PolarHBondContact O-N 2.84Å; F161-I191 HydrophobicContact CB-CG2 3.73Å; F161-I191 HydrophobicContact CD1-CD1 4.22Å; F161-I191 HydrophobicContact CD1-CG1 3.73Å; F161-I191 HydrophobicContact CD1-CG2 4.32Å; F161-I191 HydrophobicContact CE1-CG1 4.32Å; F161-I191 HydrophobicContact CG-CG1 4.33Å; F161-I191 HydrophobicContact CG-CG2 4.06Å; F161-I194 HydrophobicContact CD1-CD1 4.47Å; F161-I194 HydrophobicContact CD2-CD1 4.19Å; F161-I194 HydrophobicContact CE1-CD1 3.79Å; F161-I194 HydrophobicContact CE2-CD1 3.47Å; F161-I194 VanDerWaalsContact CE2-CD1 3.47Å; F161-I194 HydrophobicContact CE2-CG2 4.44Å; F161-I194 HydrophobicContact CZ-CD1 3.23Å |
| 162 | N | 86.3 | Confident | 91.3 | Very high | 57 Ų | 57 | 35.9 Ų | 35.9 | 31% | 0.305 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66 | -29.4 | 179.9 | -65.2 | -8.6 | 0 | 0 | 0 | 112.5 | V160 R166 Q195 N1176 | V160-N162 VanDerWaalsContact C-N 3.33Å; V160-N162 PolarHBondContact O-N 3.36Å; V160-N162 VanDerWaalsContact O-N 3.14Å; N162-R166 WeakPolarHBondContact O-CG 3.42Å; N162-Q195 PolarHBondContact OD1-NE2 3.27Å; N162-N1176 PolarHBondContact ND2-OD1 3.46Å; N162-N1176 VanDerWaalsContact ND2-OD1 3.07Å |
| 163 | R | 89.5 | Confident | 91.1 | Very high | 79 Ų | 79 | 36.4 Ų | 36.4 | 30% | 0.298 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -77.2 | -44.8 | 173.1 | -169.1 | 173.9 | -174.5 | 177 | 6.1 | 110.8 | E134 V160 F161 I165 R166 L167 | E134-R163 IonicContact OE1-CZ 2.79Å; E134-R163 IonicContact OE1-NH2 3.85Å; E134-R163 PolarHBondContact OE1-NH2 3.31Å; E134-R163 IonicContact OE2-CZ 2.75Å; E134-R163 IonicContact OE2-NH2 3.17Å; E134-R163 PolarHBondContact OE2-NH2 3.47Å; V160-R163 HydrophobicContact CG1-CB 3.89Å; V160-R163 PolarHBondContact O-N 3.04Å; F161-R163 VanDerWaalsContact C-N 3.28Å; F161-R163 PolarHBondContact O-N 3.05Å; R163-I165 VanDerWaalsContact C-N 3.34Å; R163-I165 PolarHBondContact O-N 3.17Å; R163-R166 PolarHBondContact O-N 3.35Å; R163-R166 VanDerWaalsContact O-N 3.16Å; R163-L167 HydrophobicContact CG-CD1 3.95Å; R163-L167 HydrophobicContact CG-CG 4.32Å; R163-L167 WeakPolarHBondContact O-CG 3.31Å; R163-L167 PolarHBondContact O-N 2.78Å |
| 164 | T | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.9 | -45.5 | 175.1 | -59.9 | 0 | 0 | 0 | 0 | 112.4 | G152 C155 F156 V160 F161 R166 L167 F168 I191 | G152-T164 PolarHBondContact O-OG1 3.24Å; C155-T164 WeakPolarHBondContact CB-OG1 3.28Å; F156-T164 HydrophobicContact CB-CG2 4.05Å; F156-T164 HydrophobicContact CD2-CG2 4.33Å; F156-T164 PolarHBondContact N-OG1 3.22Å; F156-T164 VanDerWaalsContact N-OG1 3.09Å; V160-T164 PolarHBondContact O-N 3.42Å; V160-T164 VanDerWaalsContact O-N 3.14Å; F161-T164 PolarHBondContact O-N 3.14Å; T164-R166 VanDerWaalsContact C-N 3.33Å; T164-R166 PolarHBondContact O-N 3Å; T164-L167 PolarHBondContact O-N 2.9Å; T164-F168 HydrophobicContact CG2-CD2 3.56Å; T164-F168 HydrophobicContact CG2-CE2 3.32Å; T164-F168 HydrophobicContact CG2-CG 4.26Å; T164-F168 HydrophobicContact CG2-CZ 3.86Å; T164-F168 WeakPolarHBondContact O-CB 3.39Å; T164-F168 WeakPolarHBondContact O-CG 3.24Å; T164-F168 PolarHBondContact O-N 2.68Å; T164-I191 HydrophobicContact CG2-CD1 3.64Å |
| 165 | I | 92.6 | Very high | 90.3 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 5% | 0.046 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.4 | -48.8 | 176.5 | -71.3 | 163 | 0 | 0 | 0 | 110.6 | F161 R163 Q169 L188 I191 Y192 | F161-I165 WeakPolarHBondContact O-CG1 3.36Å; F161-I165 PolarHBondContact O-N 2.84Å; R163-I165 VanDerWaalsContact C-N 3.34Å; R163-I165 PolarHBondContact O-N 3.17Å; I165-Q169 HydrophobicContact CG2-CG 4.27Å; I165-Q169 WeakPolarHBondContact O-CB 3.39Å; I165-Q169 WeakPolarHBondContact O-CG 3.2Å; I165-Q169 PolarHBondContact O-N 3.26Å; I165-L188 HydrophobicContact CB-CD2 4.33Å; I165-L188 HydrophobicContact CG1-CD2 4.03Å; I165-L188 HydrophobicContact CG2-CD2 4.45Å; I165-I191 HydrophobicContact CD1-CG2 3.68Å; I165-I191 HydrophobicContact CG1-CD1 4.32Å; I165-I191 HydrophobicContact CG1-CG2 3.95Å; I165-Y192 HydrophobicContact CD1-CE1 3.98Å |
| 166 | R | 91.4 | Very high | 89.8 | Confident | 108 Ų | 108 | 38.7 Ų | 38.7 | 41% | 0.408 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.4 | -48.1 | -178.8 | -67.3 | 172.6 | -171 | -175.3 | 7 | 112 | N162 R163 T164 F168 Q169 Q170 E1173 | N162-R166 WeakPolarHBondContact O-CG 3.42Å; R163-R166 PolarHBondContact O-N 3.35Å; R163-R166 VanDerWaalsContact O-N 3.16Å; T164-R166 VanDerWaalsContact C-N 3.33Å; T164-R166 PolarHBondContact O-N 3Å; R166-F168 PolarHBondContact O-N 2.91Å; R166-Q169 WeakPolarHBondContact O-CB 3.46Å; R166-Q169 PolarHBondContact O-N 3.15Å; R166-Q170 VanDerWaalsContact O-CB 3.31Å; R166-Q170 WeakPolarHBondContact O-CB 3.37Å; R166-Q170 PolarHBondContact O-N 2.92Å; R166-E1173 IonicContact CZ-OE2 2.66Å; R166-E1173 IonicContact NE-OE2 2.73Å; R166-E1173 PolarHBondContact NE-OE2 3.46Å; R166-E1173 IonicContact NH2-OE2 2.72Å; R166-E1173 PolarHBondContact NH2-OE2 2.74Å |
| 167 | L | 94.8 | Very high | 89.2 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.9 | -47.3 | 179.7 | -68.1 | 169 | 0 | 0 | 0 | 111.5 | L148 L151 R163 T164 Q170 V171 | L148-L167 HydrophobicContact CD2-CD2 3.54Å; L151-L167 HydrophobicContact CB-CD1 4.33Å; L151-L167 HydrophobicContact CD2-CD1 4.09Å; L151-L167 HydrophobicContact CD2-CD2 4.23Å; L151-L167 HydrophobicContact CG-CD1 3.8Å; R163-L167 HydrophobicContact CG-CD1 3.95Å; R163-L167 HydrophobicContact CG-CG 4.32Å; R163-L167 WeakPolarHBondContact O-CG 3.31Å; R163-L167 PolarHBondContact O-N 2.78Å; T164-L167 PolarHBondContact O-N 2.9Å; L167-Q170 WeakPolarHBondContact O-CB 3.18Å; L167-Q170 PolarHBondContact O-N 2.84Å; L167-V171 WeakPolarHBondContact O-CG2 3.36Å; L167-V171 PolarHBondContact O-N 2.88Å |
| 168 | F | 95.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.8 | -37.2 | 177.5 | -74.7 | -8.8 | 0 | 0 | 0 | 113.2 | Y149 L153 T164 R166 Q170 L172 I184 R187 L188 | Y149-F168 AromaticContact CD2-CE1 3.94Å; Y149-F168 HydrophobicContact CD2-CE1 3.94Å; Y149-F168 HydrophobicContact CE2-CE1 4.44Å; L153-F168 HydrophobicContact CD2-CZ 4.49Å; T164-F168 HydrophobicContact CG2-CD2 3.56Å; T164-F168 HydrophobicContact CG2-CE2 3.32Å; T164-F168 HydrophobicContact CG2-CG 4.26Å; T164-F168 HydrophobicContact CG2-CZ 3.86Å; T164-F168 WeakPolarHBondContact O-CB 3.39Å; T164-F168 WeakPolarHBondContact O-CG 3.24Å; T164-F168 PolarHBondContact O-N 2.68Å; R166-F168 PolarHBondContact O-N 2.91Å; F168-Q170 VanDerWaalsContact C-N 3.33Å; F168-L172 VanDerWaalsContact O-CG 3.3Å; F168-L172 WeakPolarHBondContact O-CG 3.42Å; F168-L172 PolarHBondContact O-N 2.72Å; F168-L172 VanDerWaalsContact O-N 3.1Å; F168-I184 HydrophobicContact CB-CG2 3.67Å; F168-I184 HydrophobicContact CD1-CD1 4.17Å; F168-I184 HydrophobicContact CD1-CG1 3.94Å; F168-I184 HydrophobicContact CD2-CG1 4.47Å; F168-I184 HydrophobicContact CD2-CG2 4.11Å; F168-I184 HydrophobicContact CE1-CG1 4.22Å; F168-I184 HydrophobicContact CG-CB 4.46Å; F168-I184 HydrophobicContact CG-CD1 4.48Å; F168-I184 HydrophobicContact CG-CG1 4.08Å; F168-I184 HydrophobicContact CG-CG2 3.89Å; F168-R187 HydrophobicContact CD2-CB 4.48Å; F168-R187 HydrophobicContact CE2-CB 3.73Å; F168-L188 HydrophobicContact CB-CD1 4.31Å; F168-L188 HydrophobicContact CB-CD2 4.14Å; F168-L188 HydrophobicContact CB-CG 4.3Å; F168-L188 HydrophobicContact CD2-CD2 4.21Å; F168-L188 HydrophobicContact CD2-CG 4.18Å |
| 169 | Q | 93.9 | Very high | 88.8 | Confident | 12 Ų | 12 | 31.5 Ų | 31.5 | 6% | 0.056 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.7 | -41.3 | 171 | -84.7 | 178.9 | -19.8 | 0 | 0 | 112.1 | I165 R166 L172 Y173 L1252 R1253 | I165-Q169 HydrophobicContact CG2-CG 4.27Å; I165-Q169 WeakPolarHBondContact O-CB 3.39Å; I165-Q169 WeakPolarHBondContact O-CG 3.2Å; I165-Q169 PolarHBondContact O-N 3.26Å; R166-Q169 WeakPolarHBondContact O-CB 3.46Å; R166-Q169 PolarHBondContact O-N 3.15Å; Q169-L172 PolarHBondContact O-N 3.42Å; Q169-Y173 WeakPolarHBondContact O-CB 3.35Å; Q169-Y173 PolarHBondContact O-N 3.01Å; Q169-L1252 WeakPolarHBondContact CB-O 3.35Å; Q169-R1253 PolarHBondContact NE2-O 2.64Å; Q169-R1253 VanDerWaalsContact OE1-NH1 3.11Å |
| 170 | Q | 93.1 | Very high | 88.9 | Confident | 40 Ų | 40 | 28.3 Ų | 28.3 | 19% | 0.187 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.3 | -43 | 178.9 | -170.6 | 171.3 | -21 | 0 | 0 | 112 | S142 L148 R166 L167 F168 Y173 L174 I856 L1252 | S142-Q170 PolarHBondContact O-NE2 3.4Å; L148-Q170 HydrophobicContact CD1-CG 4Å; R166-Q170 VanDerWaalsContact O-CB 3.31Å; R166-Q170 WeakPolarHBondContact O-CB 3.37Å; R166-Q170 PolarHBondContact O-N 2.92Å; L167-Q170 WeakPolarHBondContact O-CB 3.18Å; L167-Q170 PolarHBondContact O-N 2.84Å; F168-Q170 VanDerWaalsContact C-N 3.33Å; Q170-Y173 PolarHBondContact O-N 3.4Å; Q170-L174 HydrophobicContact CG-CD1 4.16Å; Q170-L174 WeakPolarHBondContact O-CB 3.21Å; Q170-L174 WeakPolarHBondContact O-CG 3.34Å; Q170-L174 PolarHBondContact O-N 2.84Å; Q170-I856 HydrophobicContact CG-CD1 3.98Å; Q170-L1252 HydrophobicContact CB-CD1 4.41Å |
| 171 | V | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.5 | -48.1 | 171.9 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | C145 L148 L167 Y173 L174 Q175 F178 I184 | C145-V171 HydrophobicContact CB-CG1 4.28Å; C145-V171 HydrophobicContact CB-CG2 4.44Å; L148-V171 HydrophobicContact CB-CG2 3.48Å; L148-V171 VanDerWaalsContact CB-CG2 3.48Å; L148-V171 HydrophobicContact CD1-CG2 4.22Å; L167-V171 WeakPolarHBondContact O-CG2 3.36Å; L167-V171 PolarHBondContact O-N 2.88Å; V171-Y173 VanDerWaalsContact C-N 3.28Å; V171-Y173 PolarHBondContact O-N 2.69Å; V171-L174 PolarHBondContact O-N 3Å; V171-Q175 PolarHBondContact O-N 3.41Å; V171-F178 HydrophobicContact CG1-CB 4.01Å; V171-F178 HydrophobicContact CG1-CD1 3.5Å; V171-F178 HydrophobicContact CG1-CD2 3.56Å; V171-F178 HydrophobicContact CG1-CE1 3.71Å; V171-F178 HydrophobicContact CG1-CE2 3.8Å; V171-F178 HydrophobicContact CG1-CG 3.42Å; V171-F178 VanDerWaalsContact CG1-CG 3.42Å; V171-F178 HydrophobicContact CG1-CZ 3.86Å; V171-I184 HydrophobicContact CB-CD1 4.14Å; V171-I184 HydrophobicContact CG1-CD1 3.74Å |
| 172 | L | 91.4 | Very high | 89 | Confident | 33 Ų | 33 | 24.4 Ų | 24.4 | 17% | 0.173 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.8 | -24.5 | 179.7 | -68.5 | 174 | 0 | 0 | 0 | 113.8 | F168 Q169 P176 C181 I184 L188 | F168-L172 VanDerWaalsContact O-CG 3.3Å; F168-L172 WeakPolarHBondContact O-CG 3.42Å; F168-L172 PolarHBondContact O-N 2.72Å; F168-L172 VanDerWaalsContact O-N 3.1Å; Q169-L172 PolarHBondContact O-N 3.42Å; L172-P176 WeakPolarHBondContact O-CA 3.23Å; L172-C181 HydrophobicContact CD2-CB 4.23Å; L172-C181 WeakPolarHBondContact CD2-SG 3.37Å; L172-I184 HydrophobicContact CD1-CG2 3.68Å; L172-I184 HydrophobicContact CD2-CG2 4.36Å; L172-I184 HydrophobicContact CG-CG2 4.02Å; L172-L188 HydrophobicContact CD1-CD1 4.08Å |
| 173 | Y | 90.6 | Very high | 89.2 | Confident | 11 Ų | 11 | 22 Ų | 22 | 4% | 0.043 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -75.4 | -48.2 | 173.2 | 178.3 | -94.3 | 0 | 0 | 0 | 111.7 | Q169 Q170 V171 I856 P857 E1248 R1251 L1252 | Q169-Y173 WeakPolarHBondContact O-CB 3.35Å; Q169-Y173 PolarHBondContact O-N 3.01Å; Q170-Y173 PolarHBondContact O-N 3.4Å; V171-Y173 VanDerWaalsContact C-N 3.28Å; V171-Y173 PolarHBondContact O-N 2.69Å; Y173-I856 HydrophobicContact CD1-CG2 4.38Å; Y173-I856 HydrophobicContact CE1-CG2 4.44Å; Y173-P857 HydrophobicContact CE2-CG 4.41Å; Y173-P857 WeakPolarHBondContact OH-CD 3.28Å; Y173-E1248 WeakPolarHBondContact CE2-OE2 3.42Å; Y173-E1248 PolarHBondContact OH-OE2 2.8Å; Y173-R1251 HydrophobicContact CD2-CG 4.11Å; Y173-R1251 HydrophobicContact CE2-CB 4.48Å; Y173-R1251 HydrophobicContact CE2-CG 4.29Å; Y173-L1252 HydrophobicContact CD1-CD1 4.25Å; Y173-L1252 HydrophobicContact CD2-CB 3.68Å; Y173-L1252 HydrophobicContact CD2-CD1 4.23Å; Y173-L1252 HydrophobicContact CE2-CB 4.14Å; Y173-L1252 HydrophobicContact CG-CB 4.11Å; Y173-L1252 HydrophobicContact CG-CD1 3.75Å |
| 174 | L | 86.2 | Confident | 89.3 | Confident | 27 Ų | 27 | 18.3 Ų | 18.3 | 14% | 0.141 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.7 | -44.6 | -178.4 | -72.1 | 168.5 | 0 | 0 | 0 | 112.5 | L148 Q170 V171 I856 | L148-L174 HydrophobicContact CD1-CD1 4Å; Q170-L174 HydrophobicContact CG-CD1 4.16Å; Q170-L174 WeakPolarHBondContact O-CB 3.21Å; Q170-L174 WeakPolarHBondContact O-CG 3.34Å; Q170-L174 PolarHBondContact O-N 2.84Å; V171-L174 PolarHBondContact O-N 3Å; L174-I856 HydrophobicContact CD1-CD1 4.01Å; L174-I856 HydrophobicContact CD2-CD1 3.9Å; L174-I856 HydrophobicContact CD2-CG1 4.04Å; L174-I856 HydrophobicContact CG-CD1 4.19Å |
| 175 | Q | 82.7 | Confident | 89.3 | Confident | 13 Ų | 13 | 18.9 Ų | 18.9 | 6% | 0.061 | 9% | 0.086 | C | C | . | . | trans | -131.2 | 83.3 | -179.7 | -69.5 | 176 | -2.6 | 0 | 0 | 109.4 | C145 V171 W177 F178 L812 | C145-Q175 VanDerWaalsContact SG-CD 3.53Å; V171-Q175 PolarHBondContact O-N 3.41Å; Q175-W177 HydrophobicContact CB-CZ2 4.43Å; Q175-W177 HydrophobicContact CG-CZ2 4.18Å; Q175-W177 PolarHBondContact O-N 3.2Å; Q175-F178 HydrophobicContact CB-CB 4.2Å; Q175-F178 VanDerWaalsContact O-CB 3.24Å; Q175-F178 WeakPolarHBondContact O-CB 3.34Å; Q175-F178 PolarHBondContact O-N 3.26Å; Q175-L812 PolarHBondContact NE2-O 3.25Å | ||
| 176 | P | 83 | Confident | 89.3 | Confident | 13 Ų | 13 | 18.7 Ų | 18.7 | 8% | 0.084 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -20.4 | 174.9 | -28.8 | 36.1 | 0 | 0 | 0 | 114.7 | L172 P847 D1348 R1352 | L172-P176 WeakPolarHBondContact O-CA 3.23Å; P176-P847 HydrophobicContact CG-CG 3.99Å; P176-D1348 HydrophobicContact CB-CB 4.43Å; P176-R1352 PolarHBondContact O-NH1 3.36Å; P176-R1352 PolarHBondContact O-NH2 3.27Å |
| 177 | W | 77 | Confident | 89.4 | Confident | 30 Ų | 30 | 14.6 Ų | 14.6 | 11% | 0.114 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 13.8 | 177 | 56.4 | 81.2 | 0 | 0 | 0 | 114 | Q175 L808 P844 W845 P847 | Q175-W177 HydrophobicContact CB-CZ2 4.43Å; Q175-W177 HydrophobicContact CG-CZ2 4.18Å; Q175-W177 PolarHBondContact O-N 3.2Å; W177-L808 HydrophobicContact CB-CD2 4.26Å; W177-P844 HydrophobicContact CH2-CB 3.89Å; W177-P844 HydrophobicContact CZ2-CB 3.35Å; W177-W845 WeakPolarHBondContact CH2-O 3.29Å; W177-P847 HydrophobicContact CZ3-CG 4.44Å |
| 178 | F | 85.5 | Confident | 89.3 | Confident | 4 Ų | 4 | 14.2 Ų | 14.2 | 2% | 0.018 | 7% | 0.068 | C | C | . | . | trans | -49.8 | 134.4 | -175.6 | -176.3 | -109.1 | 0 | 0 | 0 | 113.1 | L25 C145 Y149 V171 Q175 K180 C181 I184 | L25-F178 HydrophobicContact CD2-CE1 4.14Å; L25-F178 HydrophobicContact CD2-CE2 3.77Å; L25-F178 HydrophobicContact CD2-CZ 3.34Å; C145-F178 HydrophobicContact CB-CD2 4Å; C145-F178 HydrophobicContact CB-CE2 3.74Å; Y149-F178 HydrophobicContact CD1-CE1 4.45Å; Y149-F178 HydrophobicContact CD1-CZ 4.2Å; Y149-F178 AromaticContact CD2-CE1 3.78Å; Y149-F178 HydrophobicContact CD2-CE1 3.78Å; Y149-F178 HydrophobicContact CD2-CZ 4.17Å; Y149-F178 HydrophobicContact CE2-CE1 4.34Å; Y149-F178 AromaticContact CG-CE1 3.85Å; Y149-F178 HydrophobicContact CG-CE1 3.85Å; Y149-F178 AromaticContact CG-CZ 3.74Å; Y149-F178 HydrophobicContact CG-CZ 3.74Å; V171-F178 HydrophobicContact CG1-CB 4.01Å; V171-F178 HydrophobicContact CG1-CD1 3.5Å; V171-F178 HydrophobicContact CG1-CD2 3.56Å; V171-F178 HydrophobicContact CG1-CE1 3.71Å; V171-F178 HydrophobicContact CG1-CE2 3.8Å; V171-F178 HydrophobicContact CG1-CG 3.42Å; V171-F178 VanDerWaalsContact CG1-CG 3.42Å; V171-F178 HydrophobicContact CG1-CZ 3.86Å; Q175-F178 HydrophobicContact CB-CB 4.2Å; Q175-F178 VanDerWaalsContact O-CB 3.24Å; Q175-F178 WeakPolarHBondContact O-CB 3.34Å; Q175-F178 PolarHBondContact O-N 3.26Å; F178-K180 HydrophobicContact CD1-CB 4.13Å; F178-K180 HydrophobicContact CE1-CB 3.75Å; F178-K180 HydrophobicContact CE1-CG 4.41Å; F178-K180 PolarHBondContact O-N 3.44Å; F178-C181 WeakPolarHBondContact O-CB 3.45Å; F178-C181 PolarHBondContact O-N 3.47Å; F178-I184 HydrophobicContact CD1-CD1 3.65Å; F178-I184 HydrophobicContact CE1-CD1 3.66Å | ||
| 179 | P | 81.6 | Confident | 89.2 | Confident | 19 Ų | 19 | 14.2 Ų | 14.2 | 12% | 0.123 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -22.3 | -170 | 16.5 | -28.5 | 0 | 0 | 0 | 115.3 | L25 L808 T809 | L25-P179 HydrophobicContact CD1-CG 3.79Å; L25-P179 HydrophobicContact CD2-CG 4.18Å; P179-L808 VanDerWaalsContact CB-O 3.22Å; P179-L808 WeakPolarHBondContact CB-O 3.41Å; P179-L808 WeakPolarHBondContact CD-O 3.24Å; P179-L808 VanDerWaalsContact CG-O 3.28Å; P179-L808 WeakPolarHBondContact CG-O 3.41Å; P179-T809 HydrophobicContact CB-CG2 4.32Å |
| 180 | K | 87.7 | Confident | 88.9 | Confident | 25 Ų | 25 | 14.7 Ų | 14.7 | 11% | 0.109 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | 24.8 | 177.2 | -50.8 | -69.8 | 167.3 | 145.2 | 0 | 112 | L25 V29 Y149 F178 K182 E183 I184 | L25-K180 HydrophobicContact CD2-CG 4Å; L25-K180 WeakPolarHBondContact O-CE 3.36Å; L25-K180 PolarHBondContact O-NZ 2.95Å; V29-K180 VanDerWaalsContact CG2-NZ 3.27Å; Y149-K180 HydrophobicContact CE1-CB 4.28Å; Y149-K180 HydrophobicContact CE1-CG 4.06Å; Y149-K180 HydrophobicContact CE2-CB 3.87Å; F178-K180 HydrophobicContact CD1-CB 4.13Å; F178-K180 HydrophobicContact CE1-CB 3.75Å; F178-K180 HydrophobicContact CE1-CG 4.41Å; F178-K180 PolarHBondContact O-N 3.44Å; K180-K182 VanDerWaalsContact C-N 3.26Å; K180-K182 PolarHBondContact O-N 2.95Å; K180-E183 HydrophobicContact CB-CB 4.19Å; K180-E183 PolarHBondContact O-N 2.9Å; K180-I184 PolarHBondContact O-N 2.88Å |
| 181 | C | 89.4 | Confident | 88.8 | Confident | 3 Ų | 3 | 12.8 Ų | 12.8 | 2% | 0.02 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -51 | -44.4 | 176.5 | -175.4 | 0 | 0 | 0 | 0 | 112.2 | L172 F178 I184 H185 | L172-C181 HydrophobicContact CD2-CB 4.23Å; L172-C181 WeakPolarHBondContact CD2-SG 3.37Å; F178-C181 WeakPolarHBondContact O-CB 3.45Å; F178-C181 PolarHBondContact O-N 3.47Å; C181-I184 PolarHBondContact O-N 3.38Å; C181-H185 WeakPolarHBondContact O-CB 3.43Å; C181-H185 PolarHBondContact O-CD2 2.95Å; C181-H185 VanDerWaalsContact O-CD2 3.31Å; C181-H185 VanDerWaalsContact O-CG 3.26Å; C181-H185 PolarHBondContact O-N 2.88Å; C181-H185 PolarHBondContact SG-NE2 3.47Å; C181-H185 VanDerWaalsContact SG-NE2 3.36Å |
| 182 | K | 89.9 | Confident | 88.7 | Confident | 20 Ų | 20 | 13 Ų | 13 | 9% | 0.087 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -58.6 | -47.9 | 174.2 | -172.2 | 170.8 | 177.7 | 165.2 | 0 | 113.1 | K180 H185 I186 A208 D211 T213 A215 | K180-K182 VanDerWaalsContact C-N 3.26Å; K180-K182 PolarHBondContact O-N 2.95Å; K182-H185 CarbonylContact O-C 3.44Å; K182-H185 PolarHBondContact O-N 3.36Å; K182-H185 VanDerWaalsContact O-N 3.14Å; K182-I186 HydrophobicContact CG-CD1 4.4Å; K182-I186 WeakPolarHBondContact O-CG1 3.36Å; K182-I186 PolarHBondContact O-N 3.27Å; K182-A208 VanDerWaalsContact CE-O 3.26Å; K182-A208 WeakPolarHBondContact CE-O 3.49Å; K182-A208 HydrophobicContact CG-CB 4.09Å; K182-D211 HydrophobicContact CB-CB 4.12Å; K182-D211 HydrophobicContact CD-CB 3.99Å; K182-D211 WeakPolarHBondContact CE-O 3.4Å; K182-D211 HydrophobicContact CG-CB 4.1Å; K182-D211 PolarHBondContact NZ-O 2.8Å; K182-T213 WeakPolarHBondContact CB-OG1 3.44Å; K182-T213 WeakPolarHBondContact CD-O 3.28Å; K182-T213 WeakPolarHBondContact CE-O 3.39Å; K182-T213 PolarHBondContact NZ-O 3.21Å; K182-A215 HydrophobicContact CB-CB 4.08Å; K182-A215 HydrophobicContact CD-CB 3.63Å; K182-A215 HydrophobicContact CG-CB 3.64Å |
| 183 | E | 90 | Very high | 88.5 | Confident | 8 Ų | 8 | 11.6 Ų | 11.6 | 4% | 0.037 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -66.2 | -39 | -180 | -172.2 | 55.9 | -147.9 | 0 | 0 | 111.9 | K180 I186 R187 A215 T216 | K180-E183 HydrophobicContact CB-CB 4.19Å; K180-E183 PolarHBondContact O-N 2.9Å; E183-I186 WeakPolarHBondContact O-CB 3.36Å; E183-I186 PolarHBondContact O-N 3.41Å; E183-R187 WeakPolarHBondContact O-CG 3.49Å; E183-R187 PolarHBondContact O-N 2.95Å; E183-R187 IonicContact OE1-CZ 3.68Å; E183-R187 IonicContact OE1-NE 2.71Å; E183-R187 PolarHBondContact OE1-NE 3.32Å; E183-R187 IonicContact OE1-NH2 3.38Å; E183-R187 PolarHBondContact OE1-NH2 3.36Å; E183-A215 HydrophobicContact CB-CB 4.46Å; E183-T216 PolarHBondContact OE1-OG1 2.92Å; E183-T216 VanDerWaalsContact OE2-CB 3.31Å; E183-T216 WeakPolarHBondContact OE2-CB 3.31Å; E183-T216 PolarHBondContact OE2-N 3.08Å; E183-T216 PolarHBondContact OE2-OG1 3.24Å |
| 184 | I | 93.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -58.6 | -47.6 | 168.8 | -74.1 | 177.7 | 0 | 0 | 0 | 110.7 | Y149 F168 V171 L172 F178 K180 C181 I186 R187 L188 | Y149-I184 HydrophobicContact CD2-CD1 3.97Å; Y149-I184 HydrophobicContact CD2-CG1 3.86Å; Y149-I184 HydrophobicContact CE2-CD1 4.46Å; Y149-I184 HydrophobicContact CE2-CG1 3.92Å; F168-I184 HydrophobicContact CB-CG2 3.67Å; F168-I184 HydrophobicContact CD1-CD1 4.17Å; F168-I184 HydrophobicContact CD1-CG1 3.94Å; F168-I184 HydrophobicContact CD2-CG1 4.47Å; F168-I184 HydrophobicContact CD2-CG2 4.11Å; F168-I184 HydrophobicContact CE1-CG1 4.22Å; F168-I184 HydrophobicContact CG-CB 4.46Å; F168-I184 HydrophobicContact CG-CD1 4.48Å; F168-I184 HydrophobicContact CG-CG1 4.08Å; F168-I184 HydrophobicContact CG-CG2 3.89Å; V171-I184 HydrophobicContact CB-CD1 4.14Å; V171-I184 HydrophobicContact CG1-CD1 3.74Å; L172-I184 HydrophobicContact CD1-CG2 3.68Å; L172-I184 HydrophobicContact CD2-CG2 4.36Å; L172-I184 HydrophobicContact CG-CG2 4.02Å; F178-I184 HydrophobicContact CD1-CD1 3.65Å; F178-I184 HydrophobicContact CE1-CD1 3.66Å; K180-I184 PolarHBondContact O-N 2.88Å; C181-I184 PolarHBondContact O-N 3.38Å; I184-I186 VanDerWaalsContact C-N 3.35Å; I184-I186 PolarHBondContact O-N 2.74Å; I184-R187 PolarHBondContact O-N 3.41Å; I184-L188 HydrophobicContact CG2-CD1 3.69Å; I184-L188 HydrophobicContact CG2-CG 4.17Å; I184-L188 WeakPolarHBondContact O-CB 3.44Å; I184-L188 WeakPolarHBondContact O-CG 3.47Å; I184-L188 PolarHBondContact O-N 3.43Å |
| 185 | H | 93.6 | Very high | 88 | Confident | 12 Ų | 12 | 15.4 Ų | 15.4 | 6% | 0.056 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65.4 | -34.9 | 178.7 | -71.4 | -31.4 | 0 | 0 | 0 | 112.9 | C181 K182 G189 H204 Q207 A208 | C181-H185 WeakPolarHBondContact O-CB 3.43Å; C181-H185 PolarHBondContact O-CD2 2.95Å; C181-H185 VanDerWaalsContact O-CD2 3.31Å; C181-H185 VanDerWaalsContact O-CG 3.26Å; C181-H185 PolarHBondContact O-N 2.88Å; C181-H185 PolarHBondContact SG-NE2 3.47Å; C181-H185 VanDerWaalsContact SG-NE2 3.36Å; K182-H185 CarbonylContact O-C 3.44Å; K182-H185 PolarHBondContact O-N 3.36Å; K182-H185 VanDerWaalsContact O-N 3.14Å; H185-G189 WeakPolarHBondContact O-CA 3.37Å; H185-G189 PolarHBondContact O-N 2.98Å; H185-H204 AromaticContact CE1-ND1 4Å; H185-H204 AromaticContact ND1-ND1 3.4Å; H185-H204 PolarHBondContact ND1-ND1 3.08Å; H185-H204 WeakPolarHBondContact O-CB 3.3Å; H185-Q207 HydrophobicContact CB-CB 4.38Å; H185-Q207 VanDerWaalsContact CD2-CB 3.5Å; H185-Q207 WeakPolarHBondContact CD2-CB 3.45Å; H185-Q207 PolarHBondContact CE1-OE1 3.04Å; H185-Q207 PolarHBondContact ND1-OE1 2.98Å; H185-Q207 VanDerWaalsContact ND1-OE1 3.12Å; H185-Q207 PolarHBondContact NE2-OE1 3.23Å; H185-A208 HydrophobicContact CB-CB 4.06Å |
| 186 | I | 92.4 | Very high | 88 | Confident | 5 Ų | 5 | 20 Ų | 20 | 3% | 0.026 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.9 | -51.2 | 170.5 | -72.2 | 170.8 | 0 | 0 | 0 | 110.4 | K182 E183 I184 G189 Y190 A208 A215 F217 L222 | K182-I186 HydrophobicContact CG-CD1 4.4Å; K182-I186 WeakPolarHBondContact O-CG1 3.36Å; K182-I186 PolarHBondContact O-N 3.27Å; E183-I186 WeakPolarHBondContact O-CB 3.36Å; E183-I186 PolarHBondContact O-N 3.41Å; I184-I186 VanDerWaalsContact C-N 3.35Å; I184-I186 PolarHBondContact O-N 2.74Å; I186-G189 PolarHBondContact O-N 3.04Å; I186-Y190 PolarHBondContact O-N 3.06Å; I186-A208 HydrophobicContact CG1-CB 3.82Å; I186-A215 HydrophobicContact CD1-CB 3.85Å; I186-F217 HydrophobicContact CD1-CB 4.11Å; I186-F217 HydrophobicContact CD1-CD2 4.2Å; I186-F217 HydrophobicContact CG1-CD2 4.49Å; I186-F217 HydrophobicContact CG2-CD2 3.48Å; I186-F217 VanDerWaalsContact CG2-CD2 3.48Å; I186-F217 HydrophobicContact CG2-CE2 3.65Å; I186-L222 HydrophobicContact CD1-CD2 3.89Å; I186-L222 HydrophobicContact CG1-CD2 3.66Å |
| 187 | R | 92.7 | Very high | 88.1 | Confident | 23 Ų | 23 | 21.9 Ų | 21.9 | 9% | 0.087 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -70.4 | -39.1 | -176.1 | -67.9 | 177.1 | -169.2 | -105.2 | -7.6 | 112.5 | F156 F168 E183 I184 Y190 I191 | F156-R187 HydrophobicContact CD2-CB 3.93Å; F156-R187 HydrophobicContact CD2-CG 4.16Å; F156-R187 HydrophobicContact CE2-CB 3.65Å; F156-R187 HydrophobicContact CE2-CG 3.77Å; F156-R187 HydrophobicContact CZ-CB 4.39Å; F156-R187 HydrophobicContact CZ-CG 4.02Å; F168-R187 HydrophobicContact CD2-CB 4.48Å; F168-R187 HydrophobicContact CE2-CB 3.73Å; E183-R187 WeakPolarHBondContact O-CG 3.49Å; E183-R187 PolarHBondContact O-N 2.95Å; E183-R187 IonicContact OE1-CZ 3.68Å; E183-R187 IonicContact OE1-NE 2.71Å; E183-R187 PolarHBondContact OE1-NE 3.32Å; E183-R187 IonicContact OE1-NH2 3.38Å; E183-R187 PolarHBondContact OE1-NH2 3.36Å; I184-R187 PolarHBondContact O-N 3.41Å; R187-Y190 PolarHBondContact O-N 2.94Å; R187-I191 VanDerWaalsContact O-CG1 3.24Å; R187-I191 WeakPolarHBondContact O-CG1 3.42Å; R187-I191 PolarHBondContact O-N 3.23Å |
| 188 | L | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.4 | -45 | 171 | -71.3 | 174.7 | 0 | 0 | 0 | 111.7 | I165 F168 L172 I184 Y190 I191 Y192 H204 | I165-L188 HydrophobicContact CB-CD2 4.33Å; I165-L188 HydrophobicContact CG1-CD2 4.03Å; I165-L188 HydrophobicContact CG2-CD2 4.45Å; F168-L188 HydrophobicContact CB-CD1 4.31Å; F168-L188 HydrophobicContact CB-CD2 4.14Å; F168-L188 HydrophobicContact CB-CG 4.3Å; F168-L188 HydrophobicContact CD2-CD2 4.21Å; F168-L188 HydrophobicContact CD2-CG 4.18Å; L172-L188 HydrophobicContact CD1-CD1 4.08Å; I184-L188 HydrophobicContact CG2-CD1 3.69Å; I184-L188 HydrophobicContact CG2-CG 4.17Å; I184-L188 WeakPolarHBondContact O-CB 3.44Å; I184-L188 WeakPolarHBondContact O-CG 3.47Å; I184-L188 PolarHBondContact O-N 3.43Å; L188-Y190 VanDerWaalsContact C-N 3.28Å; L188-Y190 PolarHBondContact O-N 3Å; L188-I191 PolarHBondContact O-N 3.18Å; L188-Y192 WeakPolarHBondContact O-CD2 3.26Å; L188-Y192 PolarHBondContact O-N 2.65Å; L188-H204 HydrophobicContact CB-CB 4.38Å |
| 189 | G | 92.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.3 | -45.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | H185 I186 K193 S201 F205 | H185-G189 WeakPolarHBondContact O-CA 3.37Å; H185-G189 PolarHBondContact O-N 2.98Å; I186-G189 PolarHBondContact O-N 3.04Å; G189-K193 PolarHBondContact O-N 2.64Å; G189-S201 WeakPolarHBondContact O-CB 3.06Å; G189-S201 PolarHBondContact O-OG 3.16Å; G189-F205 VanDerWaalsContact C-CZ 3.43Å |
| 190 | Y | 88.7 | Confident | 89.1 | Confident | 23 Ų | 23 | 28.6 Ų | 28.6 | 9% | 0.09 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.6 | -51.2 | 175 | 174.3 | -119.3 | 0 | 0 | 0 | 113.2 | F156 I186 R187 L188 Y192 K193 I194 L693 | F156-Y190 AromaticContact CE2-CD1 3.96Å; F156-Y190 HydrophobicContact CE2-CD1 3.96Å; F156-Y190 AromaticContact CZ-CD1 3.8Å; F156-Y190 HydrophobicContact CZ-CD1 3.8Å; F156-Y190 HydrophobicContact CZ-CE1 4.3Å; I186-Y190 PolarHBondContact O-N 3.06Å; R187-Y190 PolarHBondContact O-N 2.94Å; L188-Y190 VanDerWaalsContact C-N 3.28Å; L188-Y190 PolarHBondContact O-N 3Å; Y190-Y192 VanDerWaalsContact C-N 3.28Å; Y190-Y192 PolarHBondContact O-N 2.83Å; Y190-K193 WeakPolarHBondContact O-CA 3.24Å; Y190-K193 WeakPolarHBondContact O-CB 3.49Å; Y190-K193 PolarHBondContact O-N 2.69Å; Y190-I194 HydrophobicContact CD1-CD1 4.27Å; Y190-I194 HydrophobicContact CD2-CG1 4.29Å; Y190-I194 HydrophobicContact CE1-CD1 3.5Å; Y190-I194 HydrophobicContact CE1-CG1 4Å; Y190-I194 HydrophobicContact CE2-CD1 4.03Å; Y190-I194 HydrophobicContact CE2-CG1 3.54Å; Y190-I194 PolarHBondContact O-N 3.34Å; Y190-I194 VanDerWaalsContact OH-CD1 3.25Å; Y190-I194 WeakPolarHBondContact OH-CD1 3.38Å; Y190-I194 WeakPolarHBondContact OH-CG1 3.3Å; Y190-L693 HydrophobicContact CD1-CD1 4.17Å; Y190-L693 HydrophobicContact CD2-CD1 4.35Å; Y190-L693 HydrophobicContact CD2-CD2 3.93Å; Y190-L693 HydrophobicContact CD2-CG 4.5Å; Y190-L693 HydrophobicContact CE1-CD1 3.5Å; Y190-L693 VanDerWaalsContact CE1-CD1 3.5Å; Y190-L693 HydrophobicContact CE1-CG 4.21Å; Y190-L693 HydrophobicContact CE2-CD1 3.77Å; Y190-L693 HydrophobicContact CE2-CD2 3.34Å; Y190-L693 HydrophobicContact CE2-CG 3.65Å; Y190-L693 VanDerWaalsContact CZ-CG 3.46Å; Y190-L693 WeakPolarHBondContact OH-CD1 3.33Å; Y190-L693 VanDerWaalsContact OH-CG 3.32Å; Y190-L693 WeakPolarHBondContact OH-CG 3.34Å |
| 191 | I | 89.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -52.8 | -47.3 | 179.2 | -70.2 | 164.8 | 0 | 0 | 0 | 111.3 | F156 F161 T164 I165 R187 L188 K193 I194 Q195 | F156-I191 HydrophobicContact CD2-CD1 4.06Å; F156-I191 HydrophobicContact CD2-CG1 4.25Å; F156-I191 HydrophobicContact CE2-CD1 4.41Å; F156-I191 HydrophobicContact CE2-CG1 4.17Å; F161-I191 HydrophobicContact CB-CG2 3.73Å; F161-I191 HydrophobicContact CD1-CD1 4.22Å; F161-I191 HydrophobicContact CD1-CG1 3.73Å; F161-I191 HydrophobicContact CD1-CG2 4.32Å; F161-I191 HydrophobicContact CE1-CG1 4.32Å; F161-I191 HydrophobicContact CG-CG1 4.33Å; F161-I191 HydrophobicContact CG-CG2 4.06Å; T164-I191 HydrophobicContact CG2-CD1 3.64Å; I165-I191 HydrophobicContact CD1-CG2 3.68Å; I165-I191 HydrophobicContact CG1-CD1 4.32Å; I165-I191 HydrophobicContact CG1-CG2 3.95Å; R187-I191 VanDerWaalsContact O-CG1 3.24Å; R187-I191 WeakPolarHBondContact O-CG1 3.42Å; R187-I191 PolarHBondContact O-N 3.23Å; L188-I191 PolarHBondContact O-N 3.18Å; I191-K193 PolarHBondContact O-N 3.28Å; I191-I194 WeakPolarHBondContact O-CB 3.49Å; I191-I194 PolarHBondContact O-N 3.49Å; I191-I194 VanDerWaalsContact O-N 3.16Å; I191-Q195 HydrophobicContact CG2-CG 4.32Å; I191-Q195 WeakPolarHBondContact O-CG 3.49Å; I191-Q195 PolarHBondContact O-N 3.49Å |
| 192 | Y | 90.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.9 | -19.6 | 179.2 | -72.9 | -56.9 | 0 | 0 | 0 | 113.5 | I165 L188 Y190 N196 N197 R200 H204 | I165-Y192 HydrophobicContact CD1-CE1 3.98Å; L188-Y192 WeakPolarHBondContact O-CD2 3.26Å; L188-Y192 PolarHBondContact O-N 2.65Å; Y190-Y192 VanDerWaalsContact C-N 3.28Å; Y190-Y192 PolarHBondContact O-N 2.83Å; Y192-N196 PolarHBondContact O-N 3.39Å; Y192-N197 HydrophobicContact CD1-CB 3.91Å; Y192-N197 HydrophobicContact CG-CB 4.43Å; Y192-N197 CarbonylContact O-C 3.55Å; Y192-N197 WeakPolarHBondContact O-CA 3.39Å; Y192-N197 PolarHBondContact O-N 3.17Å; Y192-R200 HydrophobicContact CD1-CB 4.11Å; Y192-R200 HydrophobicContact CD2-CB 3.69Å; Y192-R200 HydrophobicContact CE1-CB 4.39Å; Y192-R200 HydrophobicContact CE2-CB 4Å; Y192-R200 HydrophobicContact CG-CB 3.74Å; Y192-R200 VanDerWaalsContact CZ-CD 3.47Å; Y192-R200 PolarHBondContact OH-NH1 3.28Å; Y192-H204 AromaticContact CD2-CD2 3.65Å; Y192-H204 AromaticContact CE2-CD2 3.7Å; Y192-H204 AromaticContact CE2-NE2 3.6Å |
| 193 | K | 88.4 | Confident | 89.5 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 1% | 0.013 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69 | -46.1 | 169.7 | -171.2 | -178.9 | 178.2 | -160.8 | 0 | 110.8 | G189 Y190 I191 Q195 N196 H228 L229 L697 | G189-K193 PolarHBondContact O-N 2.64Å; Y190-K193 WeakPolarHBondContact O-CA 3.24Å; Y190-K193 WeakPolarHBondContact O-CB 3.49Å; Y190-K193 PolarHBondContact O-N 2.69Å; I191-K193 PolarHBondContact O-N 3.28Å; K193-Q195 VanDerWaalsContact C-N 3.33Å; K193-Q195 PolarHBondContact O-N 3.37Å; K193-N196 PolarHBondContact O-N 2.91Å; K193-H228 PolarHBondContact NZ-CD2 2.96Å; K193-H228 PolarHBondContact NZ-CE1 2.94Å; K193-H228 VanDerWaalsContact NZ-CE1 3.29Å; K193-H228 VanDerWaalsContact NZ-CG 3.29Å; K193-H228 PolarHBondContact NZ-ND1 3.35Å; K193-H228 PolarHBondContact NZ-NE2 3.15Å; K193-L229 HydrophobicContact CB-CD1 4.41Å; K193-L229 HydrophobicContact CD-CD1 4.38Å; K193-L229 HydrophobicContact CG-CD1 3.92Å; K193-L697 HydrophobicContact CD-CD1 4.02Å; K193-L697 VanDerWaalsContact CE-CD1 3.46Å; K193-L697 VanDerWaalsContact NZ-CD1 3.29Å |
| 194 | I | 83.4 | Confident | 89.7 | Confident | 47 Ų | 47 | 30 Ų | 30 | 24% | 0.241 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.5 | -45 | 175.4 | -40.5 | 168.6 | 0 | 0 | 0 | 110.6 | F161 Y190 I191 N196 | F161-I194 HydrophobicContact CD1-CD1 4.47Å; F161-I194 HydrophobicContact CD2-CD1 4.19Å; F161-I194 HydrophobicContact CE1-CD1 3.79Å; F161-I194 HydrophobicContact CE2-CD1 3.47Å; F161-I194 VanDerWaalsContact CE2-CD1 3.47Å; F161-I194 HydrophobicContact CE2-CG2 4.44Å; F161-I194 HydrophobicContact CZ-CD1 3.23Å; Y190-I194 HydrophobicContact CD1-CD1 4.27Å; Y190-I194 HydrophobicContact CD2-CG1 4.29Å; Y190-I194 HydrophobicContact CE1-CD1 3.5Å; Y190-I194 HydrophobicContact CE1-CG1 4Å; Y190-I194 HydrophobicContact CE2-CD1 4.03Å; Y190-I194 HydrophobicContact CE2-CG1 3.54Å; Y190-I194 PolarHBondContact O-N 3.34Å; Y190-I194 VanDerWaalsContact OH-CD1 3.25Å; Y190-I194 WeakPolarHBondContact OH-CD1 3.38Å; Y190-I194 WeakPolarHBondContact OH-CG1 3.3Å; I191-I194 WeakPolarHBondContact O-CB 3.49Å; I191-I194 PolarHBondContact O-N 3.49Å; I191-I194 VanDerWaalsContact O-N 3.16Å; I194-N196 PolarHBondContact O-N 3.03Å |
| 195 | Q | 82.6 | Confident | 89.7 | Confident | 72 Ų | 72 | 30.1 Ų | 30.1 | 34% | 0.336 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 9.6 | -179.8 | -64.8 | -175.3 | -22.7 | 0 | 0 | 113.5 | N162 I191 K193 N197 | N162-Q195 PolarHBondContact OD1-NE2 3.27Å; I191-Q195 HydrophobicContact CG2-CG 4.32Å; I191-Q195 WeakPolarHBondContact O-CG 3.49Å; I191-Q195 PolarHBondContact O-N 3.49Å; K193-Q195 VanDerWaalsContact C-N 3.33Å; K193-Q195 PolarHBondContact O-N 3.37Å; Q195-N197 PolarHBondContact O-N 3.01Å |
| 196 | N | 81.8 | Confident | 89.6 | Confident | 109 Ų | 109 | 35.1 Ų | 35.1 | 58% | 0.583 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 18.9 | -177 | -63.5 | -66.8 | 0 | 0 | 0 | 115 | Y192 K193 I194 F198 | Y192-N196 PolarHBondContact O-N 3.39Å; K193-N196 PolarHBondContact O-N 2.91Å; I194-N196 PolarHBondContact O-N 3.03Å; N196-F198 VanDerWaalsContact C-N 3.29Å; N196-F198 HydrophobicContact CB-CE1 4.26Å; N196-F198 HydrophobicContact CB-CE2 4.34Å; N196-F198 HydrophobicContact CB-CZ 3.89Å; N196-F198 PolarHBondContact O-N 2.9Å; N196-F198 VanDerWaalsContact O-N 3.15Å; N196-F198 VanDerWaalsContact OD1-CZ 3.23Å; N196-F198 WeakPolarHBondContact OD1-CZ 3.47Å |
| 197 | N | 85.4 | Confident | 89.5 | Confident | 52 Ų | 52 | 35.6 Ų | 35.6 | 28% | 0.278 | 16% | 0.162 | S | C | . | . | trans | -90.8 | 65.3 | 176.4 | -166.1 | -25.7 | 0 | 0 | 0 | 110 | Y192 Q195 E199 R200 S201 | Y192-N197 HydrophobicContact CD1-CB 3.91Å; Y192-N197 HydrophobicContact CG-CB 4.43Å; Y192-N197 CarbonylContact O-C 3.55Å; Y192-N197 WeakPolarHBondContact O-CA 3.39Å; Y192-N197 PolarHBondContact O-N 3.17Å; Q195-N197 PolarHBondContact O-N 3.01Å; N197-E199 PolarHBondContact O-N 3.37Å; N197-E199 VanDerWaalsContact O-N 3.12Å; N197-R200 PolarHBondContact O-N 2.94Å; N197-R200 WeakPolarHBondContact OD1-CG 3.32Å; N197-R200 PolarHBondContact OD1-N 3.03Å; N197-S201 WeakPolarHBondContact O-CB 3.23Å; N197-S201 PolarHBondContact O-N 3.43Å | ||
| 198 | F | 89.1 | Confident | 89.5 | Confident | 52 Ų | 52 | 34.5 Ų | 34.5 | 23% | 0.228 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.6 | -25.9 | -170.2 | -51.1 | -51.8 | 0 | 0 | 0 | 114.1 | N196 L202 L229 V232 C233 | N196-F198 VanDerWaalsContact C-N 3.29Å; N196-F198 HydrophobicContact CB-CE1 4.26Å; N196-F198 HydrophobicContact CB-CE2 4.34Å; N196-F198 HydrophobicContact CB-CZ 3.89Å; N196-F198 PolarHBondContact O-N 2.9Å; N196-F198 VanDerWaalsContact O-N 3.15Å; N196-F198 VanDerWaalsContact OD1-CZ 3.23Å; N196-F198 WeakPolarHBondContact OD1-CZ 3.47Å; F198-L202 VanDerWaalsContact O-CB 3.31Å; F198-L202 WeakPolarHBondContact O-CB 3.32Å; F198-L202 PolarHBondContact O-N 3.08Å; F198-L229 HydrophobicContact CB-CD1 4.11Å; F198-L229 HydrophobicContact CD1-CD1 3.67Å; F198-L229 HydrophobicContact CG-CD1 4.29Å; F198-V232 HydrophobicContact CE1-CG1 3.72Å; F198-V232 HydrophobicContact CZ-CG1 3.98Å; F198-C233 HydrophobicContact CB-CB 3.76Å; F198-C233 HydrophobicContact CD1-CB 4.11Å; F198-C233 HydrophobicContact CD2-CB 3.39Å; F198-C233 HydrophobicContact CE2-CB 3.94Å; F198-C233 HydrophobicContact CG-CB 3.48Å; F198-C233 VanDerWaalsContact CG-CB 3.48Å; F198-C233 HydrophobicContact CZ-CB 4.49Å |
| 199 | E | 87.1 | Confident | 89.4 | Confident | 115 Ų | 115 | 35.9 Ų | 35.9 | 54% | 0.537 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -72.4 | -47.6 | 177.7 | -169.7 | 62.1 | -150.6 | 0 | 0 | 111.9 | N197 S201 L202 R203 | N197-E199 PolarHBondContact O-N 3.37Å; N197-E199 VanDerWaalsContact O-N 3.12Å; E199-S201 VanDerWaalsContact C-N 3.29Å; E199-S201 PolarHBondContact O-N 3.48Å; E199-L202 PolarHBondContact O-N 3.1Å; E199-R203 WeakPolarHBondContact O-CB 3.45Å; E199-R203 PolarHBondContact O-N 3.21Å; E199-R203 VanDerWaalsContact O-N 3.1Å |
| 200 | R | 88.9 | Confident | 89.2 | Confident | 27 Ų | 27 | 37.6 Ų | 37.6 | 10% | 0.102 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.3 | -37.6 | 172.7 | -70.3 | -169.2 | -174.1 | -179.1 | 3.3 | 110.9 | Y192 N197 R203 H204 D1178 T1181 | Y192-R200 HydrophobicContact CD1-CB 4.11Å; Y192-R200 HydrophobicContact CD2-CB 3.69Å; Y192-R200 HydrophobicContact CE1-CB 4.39Å; Y192-R200 HydrophobicContact CE2-CB 4Å; Y192-R200 HydrophobicContact CG-CB 3.74Å; Y192-R200 VanDerWaalsContact CZ-CD 3.47Å; Y192-R200 PolarHBondContact OH-NH1 3.28Å; N197-R200 PolarHBondContact O-N 2.94Å; N197-R200 WeakPolarHBondContact OD1-CG 3.32Å; N197-R200 PolarHBondContact OD1-N 3.03Å; R200-R203 PolarHBondContact O-N 2.96Å; R200-H204 PolarHBondContact O-CD2 3.42Å; R200-H204 PolarHBondContact O-N 2.67Å; R200-D1178 IonicContact NH1-OD2 3.43Å; R200-D1178 IonicContact NH2-OD1 3.98Å; R200-D1178 PolarHBondContact NH2-OD1 2.94Å; R200-D1178 IonicContact NH2-OD2 2.75Å; R200-T1181 PolarHBondContact NH2-OG1 2.9Å |
| 201 | S | 92.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.8 | -52.8 | 175.8 | -174.8 | 0 | 0 | 0 | 0 | 112.6 | G189 N197 E199 R203 H204 F205 | G189-S201 WeakPolarHBondContact O-CB 3.06Å; G189-S201 PolarHBondContact O-OG 3.16Å; N197-S201 WeakPolarHBondContact O-CB 3.23Å; N197-S201 PolarHBondContact O-N 3.43Å; E199-S201 VanDerWaalsContact C-N 3.29Å; E199-S201 PolarHBondContact O-N 3.48Å; S201-R203 VanDerWaalsContact C-N 3.32Å; S201-R203 PolarHBondContact O-N 3.37Å; S201-H204 PolarHBondContact O-N 2.96Å; S201-F205 VanDerWaalsContact O-CD2 3.24Å; S201-F205 WeakPolarHBondContact O-CD2 3.48Å; S201-F205 PolarHBondContact O-N 2.79Å; S201-F205 WeakPolarHBondContact OG-CE2 3.43Å |
| 202 | L | 92.3 | Very high | 88.8 | Confident | 12 Ų | 12 | 40.3 Ų | 40.3 | 6% | 0.063 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 178.5 | -178.6 | 59.2 | 0 | 0 | 0 | 112 | F198 E199 R206 I226 L229 F230 | F198-L202 VanDerWaalsContact O-CB 3.31Å; F198-L202 WeakPolarHBondContact O-CB 3.32Å; F198-L202 PolarHBondContact O-N 3.08Å; E199-L202 PolarHBondContact O-N 3.1Å; L202-R206 HydrophobicContact CD1-CG 4.39Å; L202-R206 WeakPolarHBondContact O-CB 3.39Å; L202-R206 VanDerWaalsContact O-CG 3.29Å; L202-R206 WeakPolarHBondContact O-CG 3.42Å; L202-R206 PolarHBondContact O-N 3.22Å; L202-I226 HydrophobicContact CD1-CG1 4.45Å; L202-I226 HydrophobicContact CD1-CG2 3.94Å; L202-L229 VanDerWaalsContact CA-CD2 3.46Å; L202-L229 HydrophobicContact CB-CD2 3.64Å; L202-L229 HydrophobicContact CD1-CD2 4.21Å; L202-L229 VanDerWaalsContact N-CD2 3.33Å; L202-F230 HydrophobicContact CD1-CE1 4.4Å; L202-F230 HydrophobicContact CD1-CZ 4.16Å; L202-F230 HydrophobicContact CD2-CE1 4.01Å; L202-F230 HydrophobicContact CD2-CZ 4.31Å |
| 203 | R | 90.5 | Very high | 88.4 | Confident | 54 Ų | 54 | 41.8 Ų | 41.8 | 20% | 0.204 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.9 | -49.5 | 176.6 | -176.8 | -171.7 | -60 | -163.1 | -16.3 | 111.8 | E199 R200 S201 R206 Q207 E1326 | E199-R203 WeakPolarHBondContact O-CB 3.45Å; E199-R203 PolarHBondContact O-N 3.21Å; E199-R203 VanDerWaalsContact O-N 3.1Å; R200-R203 PolarHBondContact O-N 2.96Å; S201-R203 VanDerWaalsContact C-N 3.32Å; S201-R203 PolarHBondContact O-N 3.37Å; R203-R206 PolarHBondContact O-N 3.14Å; R203-Q207 WeakPolarHBondContact O-CG 3.47Å; R203-Q207 PolarHBondContact O-N 2.8Å; R203-E1326 IonicContact CZ-OE1 3.78Å; R203-E1326 IonicContact CZ-OE2 2.72Å; R203-E1326 VanDerWaalsContact NH1-CD 3.3Å; R203-E1326 IonicContact NH1-OE1 3.69Å; R203-E1326 IonicContact NH1-OE2 3.99Å; R203-E1326 PolarHBondContact NH1-OE2 2.95Å; R203-E1326 IonicContact NH2-OE1 3.25Å; R203-E1326 PolarHBondContact NH2-OE1 3.16Å; R203-E1326 IonicContact NH2-OE2 3.96Å; R203-E1326 PolarHBondContact NH2-OE2 3.37Å |
| 204 | H | 94.1 | Very high | 87.9 | Confident | 20 Ų | 20 | 47 Ų | 47 | 9% | 0.093 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.8 | -38.5 | -179.2 | -74.1 | -56.8 | 0 | 0 | 0 | 112.5 | H185 L188 Y192 R200 S201 R206 Q207 A208 | H185-H204 AromaticContact CE1-ND1 4Å; H185-H204 AromaticContact ND1-ND1 3.4Å; H185-H204 PolarHBondContact ND1-ND1 3.08Å; H185-H204 WeakPolarHBondContact O-CB 3.3Å; L188-H204 HydrophobicContact CB-CB 4.38Å; Y192-H204 AromaticContact CD2-CD2 3.65Å; Y192-H204 AromaticContact CE2-CD2 3.7Å; Y192-H204 AromaticContact CE2-NE2 3.6Å; R200-H204 PolarHBondContact O-CD2 3.42Å; R200-H204 PolarHBondContact O-N 2.67Å; S201-H204 PolarHBondContact O-N 2.96Å; H204-R206 VanDerWaalsContact C-N 3.32Å; H204-R206 PolarHBondContact O-N 3.05Å; H204-Q207 PolarHBondContact ND1-OE1 3.32Å; H204-Q207 WeakPolarHBondContact O-CB 3.37Å; H204-Q207 PolarHBondContact O-N 3.29Å; H204-A208 PolarHBondContact O-N 3.04Å |
| 205 | F | 94.2 | Very high | 87.9 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.7 | -35.4 | 171.3 | -70.2 | -52.1 | 0 | 0 | 0 | 112.7 | G189 S201 A208 L209 H225 I226 L229 | G189-F205 VanDerWaalsContact C-CZ 3.43Å; S201-F205 VanDerWaalsContact O-CD2 3.24Å; S201-F205 WeakPolarHBondContact O-CD2 3.48Å; S201-F205 PolarHBondContact O-N 2.79Å; S201-F205 WeakPolarHBondContact OG-CE2 3.43Å; F205-A208 PolarHBondContact O-N 3.3Å; F205-L209 VanDerWaalsContact O-CB 3.28Å; F205-L209 WeakPolarHBondContact O-CB 3.39Å; F205-L209 PolarHBondContact O-N 3.35Å; F205-H225 HydrophobicContact CE1-CB 4.22Å; F205-H225 HydrophobicContact CZ-CB 4.25Å; F205-I226 HydrophobicContact CB-CD1 3.99Å; F205-I226 HydrophobicContact CB-CG1 3.64Å; F205-I226 HydrophobicContact CG-CG1 4.36Å; F205-L229 HydrophobicContact CD2-CD2 4.02Å; F205-L229 HydrophobicContact CE2-CD2 4.38Å |
| 206 | R | 91.5 | Very high | 87.7 | Confident | 116 Ų | 116 | 44.2 Ų | 44.2 | 44% | 0.438 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.1 | -40.2 | 172.6 | -78 | 173 | 171.4 | 176.2 | -4.3 | 112.9 | L202 R203 H204 A208 L209 N210 | L202-R206 HydrophobicContact CD1-CG 4.39Å; L202-R206 WeakPolarHBondContact O-CB 3.39Å; L202-R206 VanDerWaalsContact O-CG 3.29Å; L202-R206 WeakPolarHBondContact O-CG 3.42Å; L202-R206 PolarHBondContact O-N 3.22Å; R203-R206 PolarHBondContact O-N 3.14Å; H204-R206 VanDerWaalsContact C-N 3.32Å; H204-R206 PolarHBondContact O-N 3.05Å; R206-A208 VanDerWaalsContact C-N 3.34Å; R206-L209 PolarHBondContact O-N 3.09Å; R206-N210 WeakPolarHBondContact O-CB 3.32Å; R206-N210 VanDerWaalsContact O-CG 3.26Å; R206-N210 PolarHBondContact O-N 3.44Å |
| 207 | Q | 90.8 | Very high | 87.7 | Confident | 16 Ų | 16 | 39.6 Ų | 39.6 | 8% | 0.075 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.3 | -47.5 | 172.2 | -71.3 | 168.2 | -23.8 | 0 | 0 | 110.7 | H185 R203 H204 L209 N210 D211 D1324 | H185-Q207 HydrophobicContact CB-CB 4.38Å; H185-Q207 VanDerWaalsContact CD2-CB 3.5Å; H185-Q207 WeakPolarHBondContact CD2-CB 3.45Å; H185-Q207 PolarHBondContact CE1-OE1 3.04Å; H185-Q207 PolarHBondContact ND1-OE1 2.98Å; H185-Q207 VanDerWaalsContact ND1-OE1 3.12Å; H185-Q207 PolarHBondContact NE2-OE1 3.23Å; R203-Q207 WeakPolarHBondContact O-CG 3.47Å; R203-Q207 PolarHBondContact O-N 2.8Å; H204-Q207 PolarHBondContact ND1-OE1 3.32Å; H204-Q207 WeakPolarHBondContact O-CB 3.37Å; H204-Q207 PolarHBondContact O-N 3.29Å; Q207-L209 PolarHBondContact O-N 2.94Å; Q207-N210 PolarHBondContact O-N 3.33Å; Q207-D211 WeakPolarHBondContact O-CB 3.43Å; Q207-D211 PolarHBondContact O-N 3.07Å; Q207-D1324 HydrophobicContact CG-CB 4.04Å; Q207-D1324 PolarHBondContact NE2-O 3.22Å |
| 208 | A | 92.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.2 | -33.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K182 H185 I186 H204 F205 R206 L222 | K182-A208 VanDerWaalsContact CE-O 3.26Å; K182-A208 WeakPolarHBondContact CE-O 3.49Å; K182-A208 HydrophobicContact CG-CB 4.09Å; H185-A208 HydrophobicContact CB-CB 4.06Å; I186-A208 HydrophobicContact CG1-CB 3.82Å; H204-A208 PolarHBondContact O-N 3.04Å; F205-A208 PolarHBondContact O-N 3.3Å; R206-A208 VanDerWaalsContact C-N 3.34Å; A208-L222 HydrophobicContact CB-CD1 4.14Å; A208-L222 HydrophobicContact CB-CD2 4.35Å |
| 209 | L | 91 | Very high | 87.5 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 15% | 0.152 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.4 | -33.3 | 176.7 | -173.6 | 73.2 | 0 | 0 | 0 | 112.4 | F205 R206 Q207 R219 L222 R223 I226 | F205-L209 VanDerWaalsContact O-CB 3.28Å; F205-L209 WeakPolarHBondContact O-CB 3.39Å; F205-L209 PolarHBondContact O-N 3.35Å; R206-L209 PolarHBondContact O-N 3.09Å; Q207-L209 PolarHBondContact O-N 2.94Å; L209-R219 HydrophobicContact CD1-CG 3.7Å; L209-R219 WeakPolarHBondContact CD1-O 3.49Å; L209-R219 PolarHBondContact O-NH1 3.1Å; L209-L222 HydrophobicContact CD1-CB 3.91Å; L209-R223 HydrophobicContact CD1-CG 3.85Å; L209-R223 HydrophobicContact CD2-CG 4.39Å; L209-I226 HydrophobicContact CD2-CD1 3.96Å |
| 210 | N | 87.5 | Confident | 87.6 | Confident | 35 Ų | 35 | 41.5 Ų | 41.5 | 19% | 0.187 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -79.6 | -25.9 | 177.1 | -72.4 | -9.1 | 0 | 0 | 0 | 112.3 | R206 Q207 D1324 R1345 M1353 | R206-N210 WeakPolarHBondContact O-CB 3.32Å; R206-N210 VanDerWaalsContact O-CG 3.26Å; R206-N210 PolarHBondContact O-N 3.44Å; Q207-N210 PolarHBondContact O-N 3.33Å; N210-D1324 PolarHBondContact ND2-OD1 2.83Å; N210-R1345 PolarHBondContact ND2-NH2 2.84Å; N210-M1353 HydrophobicContact CB-CE 4.43Å; N210-M1353 HydrophobicContact CB-CG 3.93Å; N210-M1353 HydrophobicContact CB-SD 4.17Å; N210-M1353 WeakPolarHBondContact O-CA 3.35Å; N210-M1353 WeakPolarHBondContact O-CG 3.26Å |
| 211 | D | 87.1 | Confident | 87.5 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | trans | -73.7 | 125 | 178.7 | -167.5 | -27.8 | 0 | 0 | 0 | 111.9 | K182 Q207 T213 R1352 | K182-D211 HydrophobicContact CB-CB 4.12Å; K182-D211 HydrophobicContact CD-CB 3.99Å; K182-D211 WeakPolarHBondContact CE-O 3.4Å; K182-D211 HydrophobicContact CG-CB 4.1Å; K182-D211 PolarHBondContact NZ-O 2.8Å; Q207-D211 WeakPolarHBondContact O-CB 3.43Å; Q207-D211 PolarHBondContact O-N 3.07Å; D211-T213 WeakPolarHBondContact OD1-CB 3.47Å; D211-T213 WeakPolarHBondContact OD1-CG2 3.33Å; D211-T213 PolarHBondContact OD1-N 2.93Å; D211-T213 PolarHBondContact OD1-OG1 2.96Å; D211-T213 PolarHBondContact OD2-OG1 2.93Å; D211-R1352 HydrophobicContact CB-CB 4.38Å; D211-R1352 HydrophobicContact CB-CG 4.44Å; D211-R1352 WeakPolarHBondContact OD2-CD 3.42Å; D211-R1352 WeakPolarHBondContact OD2-CG 3.28Å | ||
| 212 | S | 84.4 | Confident | 87.4 | Confident | 76 Ų | 76 | 40.9 Ų | 40.9 | 53% | 0.531 | 21% | 0.21 | S | C | . | . | trans | -80.6 | -11.1 | -179.5 | 61.7 | 0 | 0 | 0 | 0 | 114.4 | R1352 | S212-R1352 WeakPolarHBondContact CB-O 3.42Å; S212-R1352 PolarHBondContact N-O 3.44Å; S212-R1352 PolarHBondContact OG-O 3.42Å | ||
| 213 | T | 81.2 | Confident | 87.4 | Confident | 35 Ų | 35 | 42.9 Ų | 42.9 | 22% | 0.215 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -64.7 | 158.3 | -177.7 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | K182 D211 | K182-T213 WeakPolarHBondContact CB-OG1 3.44Å; K182-T213 WeakPolarHBondContact CD-O 3.28Å; K182-T213 WeakPolarHBondContact CE-O 3.39Å; K182-T213 PolarHBondContact NZ-O 3.21Å; D211-T213 WeakPolarHBondContact OD1-CB 3.47Å; D211-T213 WeakPolarHBondContact OD1-CG2 3.33Å; D211-T213 PolarHBondContact OD1-N 2.93Å; D211-T213 PolarHBondContact OD1-OG1 2.96Å; D211-T213 PolarHBondContact OD2-OG1 2.93Å |
| 214 | P | 78.7 | Confident | 87.4 | Confident | 114 Ų | 114 | 40.4 Ų | 40.4 | 74% | 0.74 | 21% | 0.208 | S | C | * | . | trans | -67.2 | 139.8 | 169.6 | -19.7 | 33.4 | 0 | 0 | 0 | 112.4 | ||||
| 215 | A | 82.4 | Confident | 87.2 | Confident | 36 Ų | 36 | 40.1 Ų | 40.1 | 30% | 0.298 | 21% | 0.206 | S | C | . | . | trans | -154.4 | 176.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | K182 E183 I186 F217 | K182-A215 HydrophobicContact CB-CB 4.08Å; K182-A215 HydrophobicContact CD-CB 3.63Å; K182-A215 HydrophobicContact CG-CB 3.64Å; E183-A215 HydrophobicContact CB-CB 4.46Å; I186-A215 HydrophobicContact CD1-CB 3.85Å; A215-F217 VanDerWaalsContact C-N 3.28Å; A215-F217 PolarHBondContact O-N 3.05Å | ||
| 216 | T | 78 | Confident | 87.1 | Confident | 23 Ų | 23 | 40.4 Ų | 40.4 | 14% | 0.141 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -61.4 | -32.6 | -177.2 | -71.4 | 0 | 0 | 0 | 0 | 113.4 | E183 L681 L689 | E183-T216 PolarHBondContact OE1-OG1 2.92Å; E183-T216 VanDerWaalsContact OE2-CB 3.31Å; E183-T216 WeakPolarHBondContact OE2-CB 3.31Å; E183-T216 PolarHBondContact OE2-N 3.08Å; E183-T216 PolarHBondContact OE2-OG1 3.24Å; T216-L681 HydrophobicContact CG2-CD1 4.09Å; T216-L689 HydrophobicContact CG2-CD1 4.34Å |
| 217 | F | 81.2 | Confident | 87.2 | Confident | 13 Ų | 13 | 34.9 Ų | 34.9 | 6% | 0.057 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -109.9 | 136 | 174.9 | -61 | -44.4 | 0 | 0 | 0 | 112.8 | I186 A215 E221 L222 H225 L686 L689 | I186-F217 HydrophobicContact CD1-CB 4.11Å; I186-F217 HydrophobicContact CD1-CD2 4.2Å; I186-F217 HydrophobicContact CG1-CD2 4.49Å; I186-F217 HydrophobicContact CG2-CD2 3.48Å; I186-F217 VanDerWaalsContact CG2-CD2 3.48Å; I186-F217 HydrophobicContact CG2-CE2 3.65Å; A215-F217 VanDerWaalsContact C-N 3.28Å; A215-F217 PolarHBondContact O-N 3.05Å; F217-E221 WeakPolarHBondContact CA-OE2 3.25Å; F217-E221 HydrophobicContact CB-CB 3.9Å; F217-E221 HydrophobicContact CD1-CB 4.24Å; F217-E221 HydrophobicContact CG-CB 4.29Å; F217-L222 HydrophobicContact CB-CD2 3.84Å; F217-L222 HydrophobicContact CB-CG 4Å; F217-L222 HydrophobicContact CD2-CD2 4.26Å; F217-H225 AromaticContact CD2-CD2 3.92Å; F217-H225 AromaticContact CD2-NE2 3.75Å; F217-H225 AromaticContact CE1-NE2 3.9Å; F217-H225 AromaticContact CE2-CD2 4Å; F217-H225 AromaticContact CE2-NE2 3.45Å; F217-H225 WeakPolarHBondContact CE2-NE2 3.41Å; F217-H225 AromaticContact CZ-NE2 3.52Å; F217-L686 HydrophobicContact CD1-CD2 4.27Å; F217-L686 HydrophobicContact CE1-CD2 4.15Å; F217-L689 HydrophobicContact CZ-CB 3.96Å; F217-L689 HydrophobicContact CZ-CD1 4.02Å |
| 218 | N | 83.4 | Confident | 87.1 | Confident | 61 Ų | 61 | 34.2 Ų | 34.2 | 33% | 0.326 | 18% | 0.184 | S | C | . | . | trans | -78.3 | 172.5 | 172.8 | 72.7 | 54.3 | 0 | 0 | 0 | 112.1 | I220 E221 L222 | N218-I220 PolarHBondContact O-N 3.08Å; N218-I220 VanDerWaalsContact O-N 3.17Å; N218-I220 WeakPolarHBondContact OD1-CA 3.34Å; N218-I220 VanDerWaalsContact OD1-CB 3.32Å; N218-I220 WeakPolarHBondContact OD1-CB 3.38Å; N218-I220 PolarHBondContact OD1-N 2.68Å; N218-E221 VanDerWaalsContact CG-OE2 3.22Å; N218-E221 PolarHBondContact N-OE2 3.06Å; N218-E221 PolarHBondContact ND2-OE1 3Å; N218-E221 PolarHBondContact ND2-OE2 3.04Å; N218-E221 PolarHBondContact O-N 2.9Å; N218-E221 PolarHBondContact OD1-N 2.97Å; N218-L222 VanDerWaalsContact O-CG 3.31Å; N218-L222 WeakPolarHBondContact O-CG 3.44Å; N218-L222 PolarHBondContact O-N 2.97Å | ||
| 219 | R | 87.3 | Confident | 87 | Confident | 159 Ų | 159 | 34.4 Ų | 34.4 | 60% | 0.6 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -58.2 | -30.9 | -176.6 | -171.1 | 177.2 | 174.8 | 86 | -7.4 | 113.5 | L209 R223 | L209-R219 HydrophobicContact CD1-CG 3.7Å; L209-R219 WeakPolarHBondContact CD1-O 3.49Å; L209-R219 PolarHBondContact O-NH1 3.1Å; R219-R223 WeakPolarHBondContact O-CG 3.28Å; R219-R223 PolarHBondContact O-N 3.37Å |
| 220 | I | 88.7 | Confident | 87 | Confident | 38 Ų | 38 | 33.7 Ų | 33.7 | 20% | 0.195 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -79.5 | -43.8 | -177.9 | -51.5 | 178.6 | 0 | 0 | 0 | 110 | N218 L222 R223 F224 L246 S252 A254 I258 | N218-I220 PolarHBondContact O-N 3.08Å; N218-I220 VanDerWaalsContact O-N 3.17Å; N218-I220 WeakPolarHBondContact OD1-CA 3.34Å; N218-I220 VanDerWaalsContact OD1-CB 3.32Å; N218-I220 WeakPolarHBondContact OD1-CB 3.38Å; N218-I220 PolarHBondContact OD1-N 2.68Å; I220-L222 VanDerWaalsContact C-N 3.34Å; I220-L222 PolarHBondContact O-N 3.48Å; I220-R223 WeakPolarHBondContact O-CB 3.37Å; I220-R223 PolarHBondContact O-N 3.14Å; I220-F224 PolarHBondContact O-N 3.46Å; I220-L246 HydrophobicContact CG2-CD2 3.79Å; I220-S252 WeakPolarHBondContact CD1-O 3.49Å; I220-A254 HydrophobicContact CG2-CB 3.98Å; I220-I258 HydrophobicContact CG2-CG1 4.47Å; I220-I258 HydrophobicContact CG2-CG2 4.06Å |
| 221 | E | 88 | Confident | 87 | Confident | 15 Ų | 15 | 33 Ų | 33 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.9 | -43.4 | 172 | -77.9 | 146.9 | -167.6 | 0 | 0 | 111.8 | F217 N218 R223 F224 H225 H257 I258 | F217-E221 WeakPolarHBondContact CA-OE2 3.25Å; F217-E221 HydrophobicContact CB-CB 3.9Å; F217-E221 HydrophobicContact CD1-CB 4.24Å; F217-E221 HydrophobicContact CG-CB 4.29Å; N218-E221 VanDerWaalsContact CG-OE2 3.22Å; N218-E221 PolarHBondContact N-OE2 3.06Å; N218-E221 PolarHBondContact ND2-OE1 3Å; N218-E221 PolarHBondContact ND2-OE2 3.04Å; N218-E221 PolarHBondContact O-N 2.9Å; N218-E221 PolarHBondContact OD1-N 2.97Å; E221-R223 VanDerWaalsContact C-N 3.33Å; E221-R223 PolarHBondContact O-N 3.28Å; E221-F224 WeakPolarHBondContact O-CB 3.31Å; E221-F224 PolarHBondContact O-N 2.89Å; E221-F224 VanDerWaalsContact O-N 3.13Å; E221-H225 PolarHBondContact O-CD2 2.91Å; E221-H225 PolarHBondContact O-N 2.97Å; E221-H257 IonicContact OE1-CE1 2.66Å; E221-H257 IonicContact OE1-NE2 3.52Å; E221-H257 PolarHBondContact OE1-NE2 3.44Å; E221-H257 VanDerWaalsContact OE1-NE2 3.1Å; E221-I258 HydrophobicContact CB-CD1 4.49Å; E221-I258 HydrophobicContact CG-CD1 3.74Å; E221-I258 HydrophobicContact CG-CG1 4.21Å |
| 222 | L | 89.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.1 | -38.1 | 175.4 | -66.7 | 174.3 | 0 | 0 | 0 | 112.8 | I186 A208 L209 F217 N218 I220 H225 I226 | I186-L222 HydrophobicContact CD1-CD2 3.89Å; I186-L222 HydrophobicContact CG1-CD2 3.66Å; A208-L222 HydrophobicContact CB-CD1 4.14Å; A208-L222 HydrophobicContact CB-CD2 4.35Å; L209-L222 HydrophobicContact CD1-CB 3.91Å; F217-L222 HydrophobicContact CB-CD2 3.84Å; F217-L222 HydrophobicContact CB-CG 4Å; F217-L222 HydrophobicContact CD2-CD2 4.26Å; N218-L222 VanDerWaalsContact O-CG 3.31Å; N218-L222 WeakPolarHBondContact O-CG 3.44Å; N218-L222 PolarHBondContact O-N 2.97Å; I220-L222 VanDerWaalsContact C-N 3.34Å; I220-L222 PolarHBondContact O-N 3.48Å; L222-H225 PolarHBondContact O-N 2.99Å; L222-I226 WeakPolarHBondContact O-CG1 3.24Å; L222-I226 PolarHBondContact O-N 3.27Å |
| 223 | R | 92 | Very high | 86.8 | Confident | 54 Ų | 54 | 32.7 Ų | 32.7 | 20% | 0.204 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.3 | -40.5 | 172 | -75.9 | -168.1 | 70.1 | -162.8 | 4.3 | 112.2 | L209 R219 I220 E221 H225 I226 A227 E242 Q245 L246 | L209-R223 HydrophobicContact CD1-CG 3.85Å; L209-R223 HydrophobicContact CD2-CG 4.39Å; R219-R223 WeakPolarHBondContact O-CG 3.28Å; R219-R223 PolarHBondContact O-N 3.37Å; I220-R223 WeakPolarHBondContact O-CB 3.37Å; I220-R223 PolarHBondContact O-N 3.14Å; E221-R223 VanDerWaalsContact C-N 3.33Å; E221-R223 PolarHBondContact O-N 3.28Å; R223-H225 PolarHBondContact O-N 2.88Å; R223-I226 PolarHBondContact O-N 2.98Å; R223-A227 PolarHBondContact O-N 3.06Å; R223-E242 IonicContact CZ-OE2 2.74Å; R223-E242 IonicContact NE-OE2 3.55Å; R223-E242 PolarHBondContact NE-OE2 2.87Å; R223-E242 IonicContact NH2-OE2 2.87Å; R223-E242 PolarHBondContact NH2-OE2 2.73Å; R223-Q245 PolarHBondContact NH1-O 2.87Å; R223-Q245 VanDerWaalsContact NH2-CB 3.34Å; R223-L246 HydrophobicContact CB-CD1 4.08Å; R223-L246 HydrophobicContact CB-CD2 3.74Å; R223-L246 HydrophobicContact CB-CG 4.38Å |
| 224 | F | 91.7 | Very high | 86.8 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.4 | -43.9 | 174.2 | 171.3 | -101.9 | 0 | 0 | 0 | 111.8 | I220 E221 I226 A227 H228 Y243 L246 I258 L261 Q265 | I220-F224 PolarHBondContact O-N 3.46Å; E221-F224 WeakPolarHBondContact O-CB 3.31Å; E221-F224 PolarHBondContact O-N 2.89Å; E221-F224 VanDerWaalsContact O-N 3.13Å; F224-I226 VanDerWaalsContact C-N 3.3Å; F224-I226 PolarHBondContact O-N 3.36Å; F224-A227 PolarHBondContact O-N 3.04Å; F224-H228 WeakPolarHBondContact O-CB 3.3Å; F224-H228 PolarHBondContact O-N 2.78Å; F224-Y243 HydrophobicContact CD2-CD1 4.29Å; F224-Y243 AromaticContact CD2-CE1 3.8Å; F224-Y243 HydrophobicContact CD2-CE1 3.8Å; F224-Y243 HydrophobicContact CE2-CD1 4.46Å; F224-Y243 AromaticContact CE2-CE1 3.72Å; F224-Y243 HydrophobicContact CE2-CE1 3.72Å; F224-L246 HydrophobicContact CB-CD1 4.18Å; F224-I258 HydrophobicContact CB-CD1 4.02Å; F224-I258 HydrophobicContact CB-CG2 4.5Å; F224-I258 HydrophobicContact CD1-CD1 4.37Å; F224-I258 HydrophobicContact CG-CD1 4.19Å; F224-L261 HydrophobicContact CD2-CB 4.43Å; F224-L261 HydrophobicContact CE1-CB 4.41Å; F224-L261 HydrophobicContact CE1-CD1 4.06Å; F224-L261 HydrophobicContact CE2-CB 3.74Å; F224-L261 HydrophobicContact CZ-CB 3.73Å; F224-L261 HydrophobicContact CZ-CD1 4.18Å; F224-L261 HydrophobicContact CZ-CG 4.38Å; F224-Q265 HydrophobicContact CE2-CG 4.23Å; F224-Q265 HydrophobicContact CZ-CG 4.4Å |
| 225 | H | 90.3 | Very high | 87.2 | Confident | 13 Ų | 13 | 32.6 Ų | 32.6 | 6% | 0.06 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.9 | -33.6 | 175 | -70.5 | -65.1 | 0 | 0 | 0 | 113.1 | F205 F217 E221 L222 R223 L229 | F205-H225 HydrophobicContact CE1-CB 4.22Å; F205-H225 HydrophobicContact CZ-CB 4.25Å; F217-H225 AromaticContact CD2-CD2 3.92Å; F217-H225 AromaticContact CD2-NE2 3.75Å; F217-H225 AromaticContact CE1-NE2 3.9Å; F217-H225 AromaticContact CE2-CD2 4Å; F217-H225 AromaticContact CE2-NE2 3.45Å; F217-H225 WeakPolarHBondContact CE2-NE2 3.41Å; F217-H225 AromaticContact CZ-NE2 3.52Å; E221-H225 PolarHBondContact O-CD2 2.91Å; E221-H225 PolarHBondContact O-N 2.97Å; L222-H225 PolarHBondContact O-N 2.99Å; R223-H225 PolarHBondContact O-N 2.88Å; H225-L229 WeakPolarHBondContact O-CB 3.44Å; H225-L229 PolarHBondContact O-N 3.39Å |
| 226 | I | 92.2 | Very high | 87.4 | Confident | 10 Ų | 10 | 32 Ų | 32 | 5% | 0.051 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.2 | -43 | 172.8 | -70.9 | 165.4 | 0 | 0 | 0 | 111.6 | L202 F205 L209 L222 R223 F224 H228 L229 F230 | L202-I226 HydrophobicContact CD1-CG1 4.45Å; L202-I226 HydrophobicContact CD1-CG2 3.94Å; F205-I226 HydrophobicContact CB-CD1 3.99Å; F205-I226 HydrophobicContact CB-CG1 3.64Å; F205-I226 HydrophobicContact CG-CG1 4.36Å; L209-I226 HydrophobicContact CD2-CD1 3.96Å; L222-I226 WeakPolarHBondContact O-CG1 3.24Å; L222-I226 PolarHBondContact O-N 3.27Å; R223-I226 PolarHBondContact O-N 2.98Å; F224-I226 VanDerWaalsContact C-N 3.3Å; F224-I226 PolarHBondContact O-N 3.36Å; I226-H228 PolarHBondContact O-N 2.74Å; I226-L229 WeakPolarHBondContact O-CB 3.08Å; I226-L229 PolarHBondContact O-N 2.83Å; I226-F230 HydrophobicContact CG2-CD2 4.12Å; I226-F230 HydrophobicContact CG2-CE2 3.61Å; I226-F230 HydrophobicContact CG2-CZ 4.21Å; I226-F230 WeakPolarHBondContact O-CD2 3.5Å; I226-F230 PolarHBondContact O-N 3.32Å |
| 227 | A | 92 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.5 | -47.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R223 F224 L229 F230 E231 A239 E242 Y243 | R223-A227 PolarHBondContact O-N 3.06Å; F224-A227 PolarHBondContact O-N 3.04Å; A227-L229 VanDerWaalsContact C-N 3.32Å; A227-L229 PolarHBondContact O-N 3.01Å; A227-F230 WeakPolarHBondContact O-CB 3.11Å; A227-F230 PolarHBondContact O-N 3.5Å; A227-F230 VanDerWaalsContact O-N 3.12Å; A227-E231 PolarHBondContact O-N 3.34Å; A227-E231 VanDerWaalsContact O-N 3.13Å; A227-A239 WeakPolarHBondContact O-CB 3.24Å; A227-E242 HydrophobicContact CB-CB 3.54Å; A227-E242 HydrophobicContact CB-CG 4.49Å; A227-Y243 HydrophobicContact CB-CD1 3.51Å; A227-Y243 HydrophobicContact CB-CE1 3.38Å; A227-Y243 HydrophobicContact CB-CG 4.24Å |
| 228 | H | 90.3 | Very high | 88.3 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.9 | -29 | 175.4 | -178.8 | 9.9 | 0 | 0 | 0 | 112.7 | K193 F224 I226 E231 V232 Y243 L694 | K193-H228 PolarHBondContact NZ-CD2 2.96Å; K193-H228 PolarHBondContact NZ-CE1 2.94Å; K193-H228 VanDerWaalsContact NZ-CE1 3.29Å; K193-H228 VanDerWaalsContact NZ-CG 3.29Å; K193-H228 PolarHBondContact NZ-ND1 3.35Å; K193-H228 PolarHBondContact NZ-NE2 3.15Å; F224-H228 WeakPolarHBondContact O-CB 3.3Å; F224-H228 PolarHBondContact O-N 2.78Å; I226-H228 PolarHBondContact O-N 2.74Å; H228-E231 WeakPolarHBondContact O-CB 3.46Å; H228-E231 PolarHBondContact O-N 2.87Å; H228-V232 WeakPolarHBondContact O-CG2 3.4Å; H228-V232 PolarHBondContact O-N 3.47Å; H228-Y243 VanDerWaalsContact CA-OH 3.23Å; H228-Y243 WeakPolarHBondContact CA-OH 3.32Å; H228-Y243 WeakPolarHBondContact CB-OH 3.38Å; H228-Y243 PolarHBondContact N-OH 3.34Å; H228-L694 WeakPolarHBondContact NE2-CD2 3.29Å; H228-L694 WeakPolarHBondContact NE2-CG 3.44Å |
| 229 | L | 89.9 | Confident | 88.6 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.6 | -38.6 | 169.7 | 179.2 | 65.1 | 0 | 0 | 0 | 111.9 | K193 F198 L202 F205 H225 I226 A227 E231 V232 C233 | K193-L229 HydrophobicContact CB-CD1 4.41Å; K193-L229 HydrophobicContact CD-CD1 4.38Å; K193-L229 HydrophobicContact CG-CD1 3.92Å; F198-L229 HydrophobicContact CB-CD1 4.11Å; F198-L229 HydrophobicContact CD1-CD1 3.67Å; F198-L229 HydrophobicContact CG-CD1 4.29Å; L202-L229 VanDerWaalsContact CA-CD2 3.46Å; L202-L229 HydrophobicContact CB-CD2 3.64Å; L202-L229 HydrophobicContact CD1-CD2 4.21Å; L202-L229 VanDerWaalsContact N-CD2 3.33Å; F205-L229 HydrophobicContact CD2-CD2 4.02Å; F205-L229 HydrophobicContact CE2-CD2 4.38Å; H225-L229 WeakPolarHBondContact O-CB 3.44Å; H225-L229 PolarHBondContact O-N 3.39Å; I226-L229 WeakPolarHBondContact O-CB 3.08Å; I226-L229 PolarHBondContact O-N 2.83Å; A227-L229 VanDerWaalsContact C-N 3.32Å; A227-L229 PolarHBondContact O-N 3.01Å; L229-E231 VanDerWaalsContact C-N 3.28Å; L229-E231 PolarHBondContact O-N 3.18Å; L229-V232 PolarHBondContact O-N 3.45Å; L229-C233 WeakPolarHBondContact O-CB 3.42Å; L229-C233 PolarHBondContact O-N 2.91Å; L229-C233 PolarHBondContact O-SG 3.18Å |
| 230 | F | 91 | Very high | 88.8 | Confident | 15 Ų | 15 | 35.2 Ų | 35.2 | 7% | 0.066 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -36.6 | 173.6 | -71.1 | -50.5 | 0 | 0 | 0 | 112.4 | L202 I226 A227 C233 K235 Q238 A239 E242 | L202-F230 HydrophobicContact CD1-CE1 4.4Å; L202-F230 HydrophobicContact CD1-CZ 4.16Å; L202-F230 HydrophobicContact CD2-CE1 4.01Å; L202-F230 HydrophobicContact CD2-CZ 4.31Å; I226-F230 HydrophobicContact CG2-CD2 4.12Å; I226-F230 HydrophobicContact CG2-CE2 3.61Å; I226-F230 HydrophobicContact CG2-CZ 4.21Å; I226-F230 WeakPolarHBondContact O-CD2 3.5Å; I226-F230 PolarHBondContact O-N 3.32Å; A227-F230 WeakPolarHBondContact O-CB 3.11Å; A227-F230 PolarHBondContact O-N 3.5Å; A227-F230 VanDerWaalsContact O-N 3.12Å; F230-C233 PolarHBondContact O-SG 3.09Å; F230-C233 VanDerWaalsContact O-SG 3.35Å; F230-K235 HydrophobicContact CB-CB 4.48Å; F230-K235 HydrophobicContact CD1-CD 4.33Å; F230-K235 CarbonylContact O-C 3.55Å; F230-K235 WeakPolarHBondContact O-CA 3.28Å; F230-K235 WeakPolarHBondContact O-CB 3.4Å; F230-K235 PolarHBondContact O-N 3.01Å; F230-Q238 HydrophobicContact CB-CB 4.03Å; F230-Q238 HydrophobicContact CD1-CB 4.18Å; F230-Q238 HydrophobicContact CD2-CB 4.09Å; F230-Q238 HydrophobicContact CG-CB 3.86Å; F230-A239 HydrophobicContact CB-CB 4.07Å; F230-E242 HydrophobicContact CD2-CG 4.04Å; F230-E242 HydrophobicContact CE2-CG 4.05Å |
| 231 | E | 86.9 | Confident | 89 | Confident | 21 Ų | 21 | 37 Ų | 37 | 10% | 0.098 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.3 | -57.8 | 173 | 167.3 | 175.5 | 168.4 | 0 | 0 | 111.8 | A227 H228 L229 C233 G234 A239 Y243 W268 L269 | A227-E231 PolarHBondContact O-N 3.34Å; A227-E231 VanDerWaalsContact O-N 3.13Å; H228-E231 WeakPolarHBondContact O-CB 3.46Å; H228-E231 PolarHBondContact O-N 2.87Å; L229-E231 VanDerWaalsContact C-N 3.28Å; L229-E231 PolarHBondContact O-N 3.18Å; E231-C233 VanDerWaalsContact C-N 3.27Å; E231-C233 PolarHBondContact O-N 2.9Å; E231-G234 PolarHBondContact O-N 2.97Å; E231-A239 HydrophobicContact CB-CB 3.8Å; E231-Y243 WeakPolarHBondContact OE2-CE2 3.34Å; E231-Y243 PolarHBondContact OE2-OH 2.99Å; E231-W268 VanDerWaalsContact OE1-CD1 3.27Å; E231-L269 HydrophobicContact CG-CD2 3.91Å; E231-L269 HydrophobicContact CG-CG 4.48Å |
| 232 | V | 82.8 | Confident | 89.1 | Confident | 47 Ų | 47 | 38.5 Ų | 38.5 | 29% | 0.285 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63 | -31.8 | -177.2 | 175.8 | 0 | 0 | 0 | 0 | 112.2 | F198 H228 L229 G234 | F198-V232 HydrophobicContact CE1-CG1 3.72Å; F198-V232 HydrophobicContact CZ-CG1 3.98Å; H228-V232 WeakPolarHBondContact O-CG2 3.4Å; H228-V232 PolarHBondContact O-N 3.47Å; L229-V232 PolarHBondContact O-N 3.45Å; V232-G234 PolarHBondContact O-N 3.33Å |
| 233 | C | 84.7 | Confident | 89.3 | Confident | 25 Ų | 25 | 38.5 Ų | 38.5 | 17% | 0.169 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 9.7 | 175.4 | 81.2 | 0 | 0 | 0 | 0 | 114.8 | F198 L229 F230 E231 K235 | F198-C233 HydrophobicContact CB-CB 3.76Å; F198-C233 HydrophobicContact CD1-CB 4.11Å; F198-C233 HydrophobicContact CD2-CB 3.39Å; F198-C233 HydrophobicContact CE2-CB 3.94Å; F198-C233 HydrophobicContact CG-CB 3.48Å; F198-C233 VanDerWaalsContact CG-CB 3.48Å; F198-C233 HydrophobicContact CZ-CB 4.49Å; L229-C233 WeakPolarHBondContact O-CB 3.42Å; L229-C233 PolarHBondContact O-N 2.91Å; L229-C233 PolarHBondContact O-SG 3.18Å; F230-C233 PolarHBondContact O-SG 3.09Å; F230-C233 VanDerWaalsContact O-SG 3.35Å; E231-C233 VanDerWaalsContact C-N 3.27Å; E231-C233 PolarHBondContact O-N 2.9Å; C233-K235 VanDerWaalsContact SG-CE 3.58Å |
| 234 | G | 82 | Confident | 89.4 | Confident | 60 Ų | 60 | 40.2 Ų | 40.2 | 62% | 0.619 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 28.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | E231 V232 P236 | E231-G234 PolarHBondContact O-N 2.97Å; V232-G234 PolarHBondContact O-N 3.33Å; G234-P236 VanDerWaalsContact O-CD 3.26Å; G234-P236 WeakPolarHBondContact O-CD 3.29Å |
| 235 | K | 87.7 | Confident | 89.3 | Confident | 88 Ų | 88 | 44.4 Ų | 44.4 | 38% | 0.383 | 23% | 0.231 | S | C | . | . | trans | -117.6 | 58.9 | 178.7 | -56.2 | 178 | -161.5 | 158 | 0 | 111.7 | F230 C233 K237 Q238 A239 | F230-K235 HydrophobicContact CB-CB 4.48Å; F230-K235 HydrophobicContact CD1-CD 4.33Å; F230-K235 CarbonylContact O-C 3.55Å; F230-K235 WeakPolarHBondContact O-CA 3.28Å; F230-K235 WeakPolarHBondContact O-CB 3.4Å; F230-K235 PolarHBondContact O-N 3.01Å; C233-K235 VanDerWaalsContact SG-CE 3.58Å; K235-K237 PolarHBondContact O-N 2.81Å; K235-K237 VanDerWaalsContact O-N 3.07Å; K235-Q238 HydrophobicContact CB-CB 4.33Å; K235-Q238 PolarHBondContact O-N 2.79Å; K235-A239 PolarHBondContact O-N 2.86Å | ||
| 236 | P | 85.7 | Confident | 89.3 | Confident | 24 Ų | 24 | 43.9 Ų | 43.9 | 16% | 0.156 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.9 | -27.3 | -171.7 | 24.7 | -35.3 | 0 | 0 | 0 | 113.8 | G234 A239 K240 L269 A274 F275 | G234-P236 VanDerWaalsContact O-CD 3.26Å; G234-P236 WeakPolarHBondContact O-CD 3.29Å; P236-A239 PolarHBondContact O-N 3.28Å; P236-K240 WeakPolarHBondContact O-CB 3.32Å; P236-K240 PolarHBondContact O-N 3.18Å; P236-L269 HydrophobicContact CB-CD2 3.82Å; P236-A274 HydrophobicContact CB-CB 3.89Å; P236-A274 HydrophobicContact CG-CB 4.11Å; P236-A274 WeakPolarHBondContact CG-O 3.31Å; P236-F275 HydrophobicContact CB-CD1 4.38Å; P236-F275 HydrophobicContact CB-CE1 4.19Å |
| 237 | K | 89.2 | Confident | 89.2 | Confident | 153 Ų | 153 | 45 Ų | 45 | 67% | 0.665 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -64.5 | -38.2 | 173.5 | -65.7 | -172.7 | 177.8 | -175.2 | 0 | 112.8 | K235 T241 | K235-K237 PolarHBondContact O-N 2.81Å; K235-K237 VanDerWaalsContact O-N 3.07Å; K237-T241 PolarHBondContact O-N 2.91Å; K237-T241 PolarHBondContact O-OG1 2.9Å |
| 238 | Q | 89.8 | Confident | 89 | Confident | 95 Ų | 95 | 48 Ų | 48 | 44% | 0.444 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -74.8 | -40.7 | 176.9 | -69.1 | -176.6 | -34.2 | 0 | 0 | 111.1 | F230 K235 K240 T241 E242 | F230-Q238 HydrophobicContact CB-CB 4.03Å; F230-Q238 HydrophobicContact CD1-CB 4.18Å; F230-Q238 HydrophobicContact CD2-CB 4.09Å; F230-Q238 HydrophobicContact CG-CB 3.86Å; K235-Q238 HydrophobicContact CB-CB 4.33Å; K235-Q238 PolarHBondContact O-N 2.79Å; Q238-K240 PolarHBondContact O-N 2.96Å; Q238-T241 PolarHBondContact O-N 2.92Å; Q238-E242 PolarHBondContact O-N 2.99Å |
| 239 | A | 89.8 | Confident | 88 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.9 | -48.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | A227 F230 E231 K235 P236 T241 E242 Y243 L269 | A227-A239 WeakPolarHBondContact O-CB 3.24Å; F230-A239 HydrophobicContact CB-CB 4.07Å; E231-A239 HydrophobicContact CB-CB 3.8Å; K235-A239 PolarHBondContact O-N 2.86Å; P236-A239 PolarHBondContact O-N 3.28Å; A239-T241 VanDerWaalsContact C-N 3.34Å; A239-T241 PolarHBondContact O-N 3.42Å; A239-E242 PolarHBondContact O-N 3.48Å; A239-Y243 HydrophobicContact CB-CD2 4.38Å; A239-Y243 HydrophobicContact CB-CE2 4.05Å; A239-Y243 WeakPolarHBondContact O-CB 3.49Å; A239-Y243 WeakPolarHBondContact O-CD2 3.14Å; A239-Y243 PolarHBondContact O-N 2.89Å; A239-L269 HydrophobicContact CB-CD1 4Å |
| 240 | K | 90.6 | Very high | 86.5 | Confident | 74 Ų | 74 | 61 Ų | 61 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -53.9 | -47.7 | 175.6 | -173.7 | 177.8 | -169.9 | 169.1 | 0 | 111.9 | P236 Q238 Y243 F244 L266 F275 | P236-K240 WeakPolarHBondContact O-CB 3.32Å; P236-K240 PolarHBondContact O-N 3.18Å; Q238-K240 PolarHBondContact O-N 2.96Å; K240-Y243 PolarHBondContact O-N 3.04Å; K240-F244 HydrophobicContact CD-CE2 4.31Å; K240-F244 HydrophobicContact CG-CD2 3.83Å; K240-F244 HydrophobicContact CG-CE2 3.69Å; K240-F244 VanDerWaalsContact O-CD2 3.22Å; K240-F244 WeakPolarHBondContact O-CD2 3.21Å; K240-F244 PolarHBondContact O-N 3.17Å; K240-L266 HydrophobicContact CB-CD2 4.37Å; K240-L266 HydrophobicContact CG-CD2 3.93Å; K240-F275 HydrophobicContact CB-CE1 3.85Å; K240-F275 HydrophobicContact CB-CZ 4.17Å; K240-F275 HydrophobicContact CD-CD1 4.22Å; K240-F275 HydrophobicContact CD-CE1 3.65Å; K240-F275 HydrophobicContact CD-CE2 4.36Å; K240-F275 HydrophobicContact CD-CZ 3.72Å; K240-F275 HydrophobicContact CG-CE1 4.19Å; K240-F275 HydrophobicContact CG-CZ 4.17Å |
| 241 | T | 92.5 | Very high | 85.3 | Confident | 76 Ų | 76 | 66.8 Ų | 66.8 | 47% | 0.466 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.1 | -47 | 179.1 | -61.9 | 0 | 0 | 0 | 0 | 112.4 | K237 Q238 A239 F244 Q245 | K237-T241 PolarHBondContact O-N 2.91Å; K237-T241 PolarHBondContact O-OG1 2.9Å; Q238-T241 PolarHBondContact O-N 2.92Å; A239-T241 VanDerWaalsContact C-N 3.34Å; A239-T241 PolarHBondContact O-N 3.42Å; T241-F244 PolarHBondContact O-N 3.28Å; T241-Q245 WeakPolarHBondContact O-CG 3.43Å; T241-Q245 PolarHBondContact O-N 2.96Å; T241-Q245 VanDerWaalsContact O-N 3.09Å |
| 242 | E | 91.3 | Very high | 84.4 | Confident | 47 Ų | 47 | 66.8 Ų | 66.8 | 22% | 0.22 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 178.2 | -67.7 | -69.5 | 158.7 | 0 | 0 | 112.1 | R223 A227 F230 Q238 A239 F244 Q245 L246 | R223-E242 IonicContact CZ-OE2 2.74Å; R223-E242 IonicContact NE-OE2 3.55Å; R223-E242 PolarHBondContact NE-OE2 2.87Å; R223-E242 IonicContact NH2-OE2 2.87Å; R223-E242 PolarHBondContact NH2-OE2 2.73Å; A227-E242 HydrophobicContact CB-CB 3.54Å; A227-E242 HydrophobicContact CB-CG 4.49Å; F230-E242 HydrophobicContact CD2-CG 4.04Å; F230-E242 HydrophobicContact CE2-CG 4.05Å; Q238-E242 PolarHBondContact O-N 2.99Å; A239-E242 PolarHBondContact O-N 3.48Å; E242-F244 PolarHBondContact O-N 3Å; E242-Q245 CarbonylContact O-C 3.43Å; E242-Q245 PolarHBondContact O-N 3.38Å; E242-L246 WeakPolarHBondContact O-CG 3.31Å; E242-L246 PolarHBondContact O-N 3.11Å; E242-L246 VanDerWaalsContact O-N 3.13Å |
| 243 | Y | 93.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 175.9 | -68.8 | -41.3 | 0 | 0 | 0 | 112.3 | F224 A227 H228 E231 A239 K240 L246 L247 C262 Q265 L266 L269 | F224-Y243 HydrophobicContact CD2-CD1 4.29Å; F224-Y243 AromaticContact CD2-CE1 3.8Å; F224-Y243 HydrophobicContact CD2-CE1 3.8Å; F224-Y243 HydrophobicContact CE2-CD1 4.46Å; F224-Y243 AromaticContact CE2-CE1 3.72Å; F224-Y243 HydrophobicContact CE2-CE1 3.72Å; A227-Y243 HydrophobicContact CB-CD1 3.51Å; A227-Y243 HydrophobicContact CB-CE1 3.38Å; A227-Y243 HydrophobicContact CB-CG 4.24Å; H228-Y243 VanDerWaalsContact CA-OH 3.23Å; H228-Y243 WeakPolarHBondContact CA-OH 3.32Å; H228-Y243 WeakPolarHBondContact CB-OH 3.38Å; H228-Y243 PolarHBondContact N-OH 3.34Å; E231-Y243 WeakPolarHBondContact OE2-CE2 3.34Å; E231-Y243 PolarHBondContact OE2-OH 2.99Å; A239-Y243 HydrophobicContact CB-CD2 4.38Å; A239-Y243 HydrophobicContact CB-CE2 4.05Å; A239-Y243 WeakPolarHBondContact O-CB 3.49Å; A239-Y243 WeakPolarHBondContact O-CD2 3.14Å; A239-Y243 PolarHBondContact O-N 2.89Å; K240-Y243 PolarHBondContact O-N 3.04Å; Y243-L246 PolarHBondContact O-N 3.37Å; Y243-L247 WeakPolarHBondContact O-CG 3.44Å; Y243-L247 PolarHBondContact O-N 3.22Å; Y243-L247 VanDerWaalsContact O-N 3.14Å; Y243-C262 HydrophobicContact CD1-CB 4.26Å; Y243-Q265 HydrophobicContact CD2-CB 4.29Å; Y243-Q265 HydrophobicContact CE1-CB 4.22Å; Y243-Q265 HydrophobicContact CE1-CG 4.4Å; Y243-Q265 HydrophobicContact CE2-CB 3.53Å; Y243-Q265 HydrophobicContact CE2-CG 4.42Å; Y243-Q265 VanDerWaalsContact CZ-CB 3.49Å; Y243-Q265 WeakPolarHBondContact OH-CB 3.38Å; Y243-Q265 WeakPolarHBondContact OH-CG 3.48Å; Y243-L266 HydrophobicContact CD2-CD2 4.11Å; Y243-L266 HydrophobicContact CD2-CG 4.2Å; Y243-L266 HydrophobicContact CG-CG 4.4Å; Y243-L269 HydrophobicContact CD2-CD1 4.12Å; Y243-L269 HydrophobicContact CE2-CD1 3.82Å |
| 244 | F | 93 | Very high | 84.2 | Confident | 89 Ų | 89 | 66.3 Ų | 66.3 | 39% | 0.39 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 173.9 | -83.2 | -66 | 0 | 0 | 0 | 112.7 | K240 T241 E242 L246 L247 D248 L266 W291 | K240-F244 HydrophobicContact CD-CE2 4.31Å; K240-F244 HydrophobicContact CG-CD2 3.83Å; K240-F244 HydrophobicContact CG-CE2 3.69Å; K240-F244 VanDerWaalsContact O-CD2 3.22Å; K240-F244 WeakPolarHBondContact O-CD2 3.21Å; K240-F244 PolarHBondContact O-N 3.17Å; T241-F244 PolarHBondContact O-N 3.28Å; E242-F244 PolarHBondContact O-N 3Å; F244-L246 PolarHBondContact O-N 3.18Å; F244-L247 PolarHBondContact O-N 2.99Å; F244-D248 PolarHBondContact O-N 3.45Å; F244-L266 HydrophobicContact CD1-CD1 4.39Å; F244-L266 HydrophobicContact CD2-CD1 4.41Å; F244-L266 HydrophobicContact CD2-CD2 4.26Å; F244-L266 HydrophobicContact CE1-CD1 4.04Å; F244-L266 HydrophobicContact CE2-CD1 4.04Å; F244-L266 HydrophobicContact CE2-CD2 3.83Å; F244-L266 HydrophobicContact CZ-CD1 3.84Å; F244-L266 HydrophobicContact CZ-CD2 4.34Å; F244-W291 HydrophobicContact CZ-CH2 4.45Å; F244-W291 AromaticContact CZ-CZ2 3.92Å; F244-W291 HydrophobicContact CZ-CZ2 3.92Å |
| 245 | Q | 91.2 | Very high | 84.5 | Confident | 91 Ų | 91 | 65.7 Ų | 65.7 | 43% | 0.425 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.3 | -5.5 | 173.4 | -68.4 | -178.9 | 14.2 | 0 | 0 | 114.4 | R223 T241 E242 | R223-Q245 PolarHBondContact NH1-O 2.87Å; R223-Q245 VanDerWaalsContact NH2-CB 3.34Å; T241-Q245 WeakPolarHBondContact O-CG 3.43Å; T241-Q245 PolarHBondContact O-N 2.96Å; T241-Q245 VanDerWaalsContact O-N 3.09Å; E242-Q245 CarbonylContact O-C 3.43Å; E242-Q245 PolarHBondContact O-N 3.38Å |
| 246 | L | 89.9 | Confident | 84.5 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -105.7 | -8.6 | 171 | -67.8 | 167 | 0 | 0 | 0 | 112.8 | I220 R223 F224 E242 Y243 F244 A254 | I220-L246 HydrophobicContact CG2-CD2 3.79Å; R223-L246 HydrophobicContact CB-CD1 4.08Å; R223-L246 HydrophobicContact CB-CD2 3.74Å; R223-L246 HydrophobicContact CB-CG 4.38Å; F224-L246 HydrophobicContact CB-CD1 4.18Å; E242-L246 WeakPolarHBondContact O-CG 3.31Å; E242-L246 PolarHBondContact O-N 3.11Å; E242-L246 VanDerWaalsContact O-N 3.13Å; Y243-L246 PolarHBondContact O-N 3.37Å; F244-L246 PolarHBondContact O-N 3.18Å; L246-A254 WeakPolarHBondContact O-CB 3.33Å |
| 247 | L | 90.4 | Very high | 84.5 | Confident | 33 Ų | 33 | 66.8 Ų | 66.8 | 17% | 0.173 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -100.1 | -19.9 | 173.5 | -71.5 | 173.9 | 0 | 0 | 0 | 113 | Y243 F244 V249 R259 C262 L263 L266 | Y243-L247 WeakPolarHBondContact O-CG 3.44Å; Y243-L247 PolarHBondContact O-N 3.22Å; Y243-L247 VanDerWaalsContact O-N 3.14Å; F244-L247 PolarHBondContact O-N 2.99Å; L247-V249 WeakPolarHBondContact O-CG2 3.47Å; L247-V249 PolarHBondContact O-N 3.08Å; L247-R259 HydrophobicContact CD2-CB 3.81Å; L247-R259 HydrophobicContact CD2-CG 3.99Å; L247-C262 HydrophobicContact CD1-CB 4.14Å; L247-C262 HydrophobicContact CD2-CB 3.89Å; L247-C262 HydrophobicContact CG-CB 3.85Å; L247-L263 HydrophobicContact CD1-CD2 3.86Å; L247-L263 HydrophobicContact CD1-CG 4.15Å; L247-L263 HydrophobicContact CD2-CD2 4.4Å; L247-L263 HydrophobicContact CD2-CG 3.96Å; L247-L266 HydrophobicContact CD1-CD1 3.47Å; L247-L266 VanDerWaalsContact CD1-CD1 3.47Å |
| 248 | D | 87.5 | Confident | 84.5 | Confident | 63 Ų | 63 | 59.5 Ų | 59.5 | 34% | 0.337 | 32% | 0.317 | S | S | . | . | trans | -61.4 | 95.9 | 165.7 | -176.6 | -21.7 | 0 | 0 | 0 | 109.6 | F244 E250 K251 S252 | F244-D248 PolarHBondContact O-N 3.45Å; D248-E250 VanDerWaalsContact C-N 3.3Å; D248-E250 PolarHBondContact O-N 2.9Å; D248-E250 PolarHBondContact OD1-N 3.17Å; D248-K251 HydrophobicContact CB-CB 4.47Å; D248-K251 PolarHBondContact O-N 2.9Å; D248-K251 PolarHBondContact OD1-N 2.8Å; D248-K251 WeakPolarHBondContact OD2-CG 3.36Å; D248-S252 WeakPolarHBondContact O-CB 3.46Å; D248-S252 PolarHBondContact O-N 2.92Å; D248-S252 PolarHBondContact O-OG 2.83Å | ||
| 249 | V | 68.4 | Low | 84.5 | Confident | 85 Ų | 85 | 57.9 Ų | 57.9 | 52% | 0.515 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.2 | -35.2 | -175.2 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | L247 G253 | L247-V249 WeakPolarHBondContact O-CG2 3.47Å; L247-V249 PolarHBondContact O-N 3.08Å; V249-G253 PolarHBondContact O-N 3.12Å; V249-G253 VanDerWaalsContact O-N 3.1Å |
| 250 | E | 59.2 | Low | 84.5 | Confident | 194 Ų | 194 | 58 Ų | 58 | 91% | 0.907 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68.3 | -38.6 | -177.8 | -61 | -173.1 | 167.8 | 0 | 0 | 111.4 | D248 | D248-E250 VanDerWaalsContact C-N 3.3Å; D248-E250 PolarHBondContact O-N 2.9Å; D248-E250 PolarHBondContact OD1-N 3.17Å |
| 251 | K | 64.9 | Low | 84.5 | Confident | 136 Ų | 136 | 55 Ų | 55 | 59% | 0.591 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -91.6 | -17 | 177.7 | -64.3 | -165.7 | 171.3 | -165.7 | 0 | 115.4 | D248 D667 | D248-K251 HydrophobicContact CB-CB 4.47Å; D248-K251 PolarHBondContact O-N 2.9Å; D248-K251 PolarHBondContact OD1-N 2.8Å; D248-K251 WeakPolarHBondContact OD2-CG 3.36Å; K251-D667 IonicContact NZ-OD1 3.28Å; K251-D667 PolarHBondContact NZ-OD1 3.28Å; K251-D667 IonicContact NZ-OD2 2.8Å; K251-D667 PolarHBondContact NZ-OD2 3.11Å |
| 252 | S | 69.2 | Low | 84.4 | Confident | 21 Ų | 21 | 51.3 Ų | 51.3 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -115.5 | -29 | -171.9 | 73.5 | 0 | 0 | 0 | 0 | 116.8 | I220 D248 A254 | I220-S252 WeakPolarHBondContact CD1-O 3.49Å; D248-S252 WeakPolarHBondContact O-CB 3.46Å; D248-S252 PolarHBondContact O-N 2.92Å; D248-S252 PolarHBondContact O-OG 2.83Å; S252-A254 PolarHBondContact O-N 3.2Å; S252-A254 PolarHBondContact OG-N 2.93Å |
| 253 | G | 79.1 | Confident | 84.5 | Confident | 57 Ų | 57 | 50 Ų | 50 | 59% | 0.588 | 27% | 0.267 | S | S | * | . | trans | 60.8 | 22.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | V249 | V249-G253 PolarHBondContact O-N 3.12Å; V249-G253 VanDerWaalsContact O-N 3.1Å | ||
| 254 | A | 84.4 | Confident | 84.4 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 5% | 0.05 | 27% | 0.269 | C | S | . | . | trans | -63.5 | 133.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115 | I220 L246 S252 I258 R259 | I220-A254 HydrophobicContact CG2-CB 3.98Å; L246-A254 WeakPolarHBondContact O-CB 3.33Å; S252-A254 PolarHBondContact O-N 3.2Å; S252-A254 PolarHBondContact OG-N 2.93Å; A254-I258 HydrophobicContact CB-CG2 4.27Å; A254-R259 HydrophobicContact CB-CG 3.74Å; A254-R259 WeakPolarHBondContact O-CD 3.21Å; A254-R259 PolarHBondContact O-NE 3.33Å | ||
| 255 | P | 86.7 | Confident | 84.2 | Confident | 46 Ų | 46 | 46.6 Ų | 46.6 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | trans | -55 | 156.1 | 173.5 | -27.6 | 35.4 | 0 | 0 | 0 | 113.8 | H257 I258 R259 | P255-H257 VanDerWaalsContact C-N 3.28Å; P255-H257 PolarHBondContact O-N 3.1Å; P255-I258 PolarHBondContact O-N 2.89Å; P255-R259 WeakPolarHBondContact O-CG 3.35Å; P255-R259 PolarHBondContact O-N 2.75Å | ||
| 256 | S | 88 | Confident | 84.2 | Confident | 63 Ų | 63 | 42.2 Ų | 42.2 | 44% | 0.441 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -54.4 | -41.6 | 176.4 | 45.1 | 0 | 0 | 0 | 0 | 112.7 | R259 H260 | S256-R259 PolarHBondContact O-N 3.45Å; S256-H260 WeakPolarHBondContact O-CB 3.4Å; S256-H260 PolarHBondContact O-N 3.03Å |
| 257 | H | 86 | Confident | 84.2 | Confident | 72 Ų | 72 | 42.2 Ų | 42.2 | 33% | 0.333 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 179 | 89.8 | 73.8 | 0 | 0 | 0 | 112.2 | E221 P255 R259 H260 L261 | E221-H257 IonicContact OE1-CE1 2.66Å; E221-H257 IonicContact OE1-NE2 3.52Å; E221-H257 PolarHBondContact OE1-NE2 3.44Å; E221-H257 VanDerWaalsContact OE1-NE2 3.1Å; P255-H257 VanDerWaalsContact C-N 3.28Å; P255-H257 PolarHBondContact O-N 3.1Å; H257-R259 PolarHBondContact O-N 2.87Å; H257-H260 WeakPolarHBondContact O-CB 3.37Å; H257-H260 PolarHBondContact O-N 2.88Å; H257-L261 WeakPolarHBondContact O-CG 3.09Å; H257-L261 PolarHBondContact O-N 3.06Å |
| 258 | I | 88.4 | Confident | 83.9 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.6 | -40.8 | 176.3 | -67.6 | -61.5 | 0 | 0 | 0 | 111.4 | I220 E221 F224 A254 P255 L261 C262 | I220-I258 HydrophobicContact CG2-CG1 4.47Å; I220-I258 HydrophobicContact CG2-CG2 4.06Å; E221-I258 HydrophobicContact CB-CD1 4.49Å; E221-I258 HydrophobicContact CG-CD1 3.74Å; E221-I258 HydrophobicContact CG-CG1 4.21Å; F224-I258 HydrophobicContact CB-CD1 4.02Å; F224-I258 HydrophobicContact CB-CG2 4.5Å; F224-I258 HydrophobicContact CD1-CD1 4.37Å; F224-I258 HydrophobicContact CG-CD1 4.19Å; A254-I258 HydrophobicContact CB-CG2 4.27Å; P255-I258 PolarHBondContact O-N 2.89Å; I258-L261 PolarHBondContact O-N 3.37Å; I258-C262 WeakPolarHBondContact O-CB 3.49Å; I258-C262 PolarHBondContact O-N 3.31Å; I258-C262 PolarHBondContact O-SG 2.98Å |
| 259 | R | 90.8 | Very high | 83.7 | Confident | 60 Ų | 60 | 39.3 Ų | 39.3 | 23% | 0.226 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68 | -39.1 | 179.1 | -66.4 | -172.6 | -69.4 | 106.9 | 1.4 | 111.8 | L247 A254 P255 S256 H257 C262 L263 L298 | L247-R259 HydrophobicContact CD2-CB 3.81Å; L247-R259 HydrophobicContact CD2-CG 3.99Å; A254-R259 HydrophobicContact CB-CG 3.74Å; A254-R259 WeakPolarHBondContact O-CD 3.21Å; A254-R259 PolarHBondContact O-NE 3.33Å; P255-R259 WeakPolarHBondContact O-CG 3.35Å; P255-R259 PolarHBondContact O-N 2.75Å; S256-R259 PolarHBondContact O-N 3.45Å; H257-R259 PolarHBondContact O-N 2.87Å; R259-C262 PolarHBondContact O-N 3.42Å; R259-L263 WeakPolarHBondContact O-CB 3.18Å; R259-L263 VanDerWaalsContact O-CG 3.32Å; R259-L263 WeakPolarHBondContact O-CG 3.23Å; R259-L263 PolarHBondContact O-N 2.64Å; R259-L298 HydrophobicContact CB-CD1 3.74Å |
| 260 | H | 90.4 | Very high | 84.5 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.5 | -49.9 | 169.4 | 175.6 | 107.6 | 0 | 0 | 0 | 111.3 | S256 H257 L263 R264 A295 L298 D299 T305 | S256-H260 WeakPolarHBondContact O-CB 3.4Å; S256-H260 PolarHBondContact O-N 3.03Å; H257-H260 WeakPolarHBondContact O-CB 3.37Å; H257-H260 PolarHBondContact O-N 2.88Å; H260-L263 PolarHBondContact O-N 2.94Å; H260-R264 WeakPolarHBondContact O-CB 3.19Å; H260-R264 PolarHBondContact O-N 3.16Å; H260-A295 PolarHBondContact ND1-O 3.24Å; H260-L298 HydrophobicContact CB-CB 4.26Å; H260-D299 PolarHBondContact CE1-O 3.12Å; H260-D299 IonicContact CE1-OD2 3.51Å; H260-D299 PolarHBondContact ND1-O 2.9Å; H260-T305 PolarHBondContact CE1-OG1 3.44Å; H260-T305 PolarHBondContact NE2-OG1 3.15Å |
| 261 | L | 90 | Very high | 85.6 | Confident | 9 Ų | 9 | 30.3 Ų | 30.3 | 5% | 0.047 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62 | -44.9 | 179 | -71.8 | 171 | 0 | 0 | 0 | 112.2 | F224 H257 I258 L263 R264 Q265 | F224-L261 HydrophobicContact CD2-CB 4.43Å; F224-L261 HydrophobicContact CE1-CB 4.41Å; F224-L261 HydrophobicContact CE1-CD1 4.06Å; F224-L261 HydrophobicContact CE2-CB 3.74Å; F224-L261 HydrophobicContact CZ-CB 3.73Å; F224-L261 HydrophobicContact CZ-CD1 4.18Å; F224-L261 HydrophobicContact CZ-CG 4.38Å; H257-L261 WeakPolarHBondContact O-CG 3.09Å; H257-L261 PolarHBondContact O-N 3.06Å; I258-L261 PolarHBondContact O-N 3.37Å; L261-L263 PolarHBondContact O-N 2.8Å; L261-R264 WeakPolarHBondContact O-CB 3.32Å; L261-R264 PolarHBondContact O-N 2.9Å; L261-Q265 WeakPolarHBondContact O-CG 3.29Å; L261-Q265 PolarHBondContact O-N 3.3Å |
| 262 | C | 91.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 177.9 | -67.3 | 0 | 0 | 0 | 0 | 112.2 | Y243 L247 I258 R259 Q265 L266 | Y243-C262 HydrophobicContact CD1-CB 4.26Å; L247-C262 HydrophobicContact CD1-CB 4.14Å; L247-C262 HydrophobicContact CD2-CB 3.89Å; L247-C262 HydrophobicContact CG-CB 3.85Å; I258-C262 WeakPolarHBondContact O-CB 3.49Å; I258-C262 PolarHBondContact O-N 3.31Å; I258-C262 PolarHBondContact O-SG 2.98Å; R259-C262 PolarHBondContact O-N 3.42Å; C262-Q265 PolarHBondContact O-N 3.09Å; C262-L266 WeakPolarHBondContact O-CB 3.16Å; C262-L266 WeakPolarHBondContact O-CG 3.45Å; C262-L266 PolarHBondContact O-N 3.26Å |
| 263 | L | 92.6 | Very high | 86.4 | Confident | 19 Ų | 19 | 27.5 Ų | 27.5 | 10% | 0.099 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 174.8 | -73.8 | 168.7 | 0 | 0 | 0 | 111.9 | L247 R259 H260 L261 Q265 L266 A267 W291 A295 L298 | L247-L263 HydrophobicContact CD1-CD2 3.86Å; L247-L263 HydrophobicContact CD1-CG 4.15Å; L247-L263 HydrophobicContact CD2-CD2 4.4Å; L247-L263 HydrophobicContact CD2-CG 3.96Å; R259-L263 WeakPolarHBondContact O-CB 3.18Å; R259-L263 VanDerWaalsContact O-CG 3.32Å; R259-L263 WeakPolarHBondContact O-CG 3.23Å; R259-L263 PolarHBondContact O-N 2.64Å; H260-L263 PolarHBondContact O-N 2.94Å; L261-L263 PolarHBondContact O-N 2.8Å; L263-Q265 PolarHBondContact O-N 2.76Å; L263-L266 PolarHBondContact O-N 3.4Å; L263-A267 WeakPolarHBondContact O-CB 3.3Å; L263-A267 PolarHBondContact O-N 2.96Å; L263-W291 HydrophobicContact CB-CB 4.44Å; L263-W291 HydrophobicContact CD2-CB 4Å; L263-W291 HydrophobicContact CD2-CG 4.02Å; L263-A295 HydrophobicContact CB-CB 3.95Å; L263-A295 HydrophobicContact CD1-CB 4.38Å; L263-L298 HydrophobicContact CD1-CD1 4.08Å |
| 264 | R | 90.5 | Very high | 85.8 | Confident | 12 Ų | 12 | 26.7 Ų | 26.7 | 5% | 0.045 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.4 | -44.4 | 176.6 | -165.5 | 175.6 | 79.8 | -178.8 | 0.5 | 112.1 | H260 L261 A267 W268 L292 N302 T305 L308 D691 | H260-R264 WeakPolarHBondContact O-CB 3.19Å; H260-R264 PolarHBondContact O-N 3.16Å; L261-R264 WeakPolarHBondContact O-CB 3.32Å; L261-R264 PolarHBondContact O-N 2.9Å; R264-A267 PolarHBondContact O-N 2.73Å; R264-W268 PolarHBondContact O-N 3.23Å; R264-L292 HydrophobicContact CG-CD2 4.28Å; R264-N302 VanDerWaalsContact NH1-CG 3.34Å; R264-N302 PolarHBondContact NH1-ND2 3.02Å; R264-N302 PolarHBondContact NH1-OD1 3.42Å; R264-T305 WeakPolarHBondContact CD-OG1 3.3Å; R264-T305 HydrophobicContact CG-CG2 4.43Å; R264-L308 HydrophobicContact CG-CD2 4.08Å; R264-D691 IonicContact CZ-OD1 2.64Å; R264-D691 IonicContact NH1-OD1 3.25Å; R264-D691 PolarHBondContact NH1-OD1 3.41Å; R264-D691 VanDerWaalsContact NH1-OD1 3.09Å; R264-D691 IonicContact NH1-OD2 2.97Å; R264-D691 IonicContact NH2-OD1 2.74Å; R264-D691 PolarHBondContact NH2-OD1 3.02Å |
| 265 | Q | 90.1 | Very high | 84.8 | Confident | 5 Ų | 5 | 27.8 Ų | 27.8 | 2% | 0.023 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -74.7 | -32.9 | 178.5 | -54.1 | -50.9 | 1.7 | 0 | 0 | 113.5 | F224 Y243 L261 C262 L263 A267 W268 L269 L694 | F224-Q265 HydrophobicContact CE2-CG 4.23Å; F224-Q265 HydrophobicContact CZ-CG 4.4Å; Y243-Q265 HydrophobicContact CD2-CB 4.29Å; Y243-Q265 HydrophobicContact CE1-CB 4.22Å; Y243-Q265 HydrophobicContact CE1-CG 4.4Å; Y243-Q265 HydrophobicContact CE2-CB 3.53Å; Y243-Q265 HydrophobicContact CE2-CG 4.42Å; Y243-Q265 VanDerWaalsContact CZ-CB 3.49Å; Y243-Q265 WeakPolarHBondContact OH-CB 3.38Å; Y243-Q265 WeakPolarHBondContact OH-CG 3.48Å; L261-Q265 WeakPolarHBondContact O-CG 3.29Å; L261-Q265 PolarHBondContact O-N 3.3Å; C262-Q265 PolarHBondContact O-N 3.09Å; L263-Q265 PolarHBondContact O-N 2.76Å; Q265-A267 VanDerWaalsContact C-N 3.34Å; Q265-W268 PolarHBondContact O-N 3.36Å; Q265-L269 WeakPolarHBondContact O-CB 3.43Å; Q265-L269 WeakPolarHBondContact O-CG 3.11Å; Q265-L269 PolarHBondContact O-N 2.88Å; Q265-L694 VanDerWaalsContact NE2-CD2 3.25Å |
| 266 | L | 90.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.9 | -41.2 | 171.5 | -77.5 | 172.7 | 0 | 0 | 0 | 111.8 | K240 Y243 F244 L247 C262 L263 H270 W291 | K240-L266 HydrophobicContact CB-CD2 4.37Å; K240-L266 HydrophobicContact CG-CD2 3.93Å; Y243-L266 HydrophobicContact CD2-CD2 4.11Å; Y243-L266 HydrophobicContact CD2-CG 4.2Å; Y243-L266 HydrophobicContact CG-CG 4.4Å; F244-L266 HydrophobicContact CD1-CD1 4.39Å; F244-L266 HydrophobicContact CD2-CD1 4.41Å; F244-L266 HydrophobicContact CD2-CD2 4.26Å; F244-L266 HydrophobicContact CE1-CD1 4.04Å; F244-L266 HydrophobicContact CE2-CD1 4.04Å; F244-L266 HydrophobicContact CE2-CD2 3.83Å; F244-L266 HydrophobicContact CZ-CD1 3.84Å; F244-L266 HydrophobicContact CZ-CD2 4.34Å; L247-L266 HydrophobicContact CD1-CD1 3.47Å; L247-L266 VanDerWaalsContact CD1-CD1 3.47Å; C262-L266 WeakPolarHBondContact O-CB 3.16Å; C262-L266 WeakPolarHBondContact O-CG 3.45Å; C262-L266 PolarHBondContact O-N 3.26Å; L263-L266 PolarHBondContact O-N 3.4Å; L266-H270 WeakPolarHBondContact O-CB 3.27Å; L266-H270 PolarHBondContact O-N 3.19Å; L266-H270 VanDerWaalsContact O-N 3.09Å; L266-W291 HydrophobicContact CB-CD2 4.25Å; L266-W291 HydrophobicContact CB-CE3 3.79Å; L266-W291 HydrophobicContact CB-CZ3 3.95Å; L266-W291 WeakPolarHBondContact O-CZ3 3.18Å |
| 267 | A | 88.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.5 | -45.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | L263 R264 Q265 H270 H271 D288 W291 L292 | L263-A267 WeakPolarHBondContact O-CB 3.3Å; L263-A267 PolarHBondContact O-N 2.96Å; R264-A267 PolarHBondContact O-N 2.73Å; Q265-A267 VanDerWaalsContact C-N 3.34Å; A267-H270 PolarHBondContact O-N 2.9Å; A267-H271 VanDerWaalsContact O-CB 3.27Å; A267-H271 WeakPolarHBondContact O-CB 3.47Å; A267-H271 PolarHBondContact O-N 3.06Å; A267-D288 HydrophobicContact CB-CB 4.1Å; A267-W291 HydrophobicContact CB-CB 4.29Å; A267-W291 HydrophobicContact CB-CE3 4.41Å; A267-L292 HydrophobicContact CB-CD1 3.84Å; A267-L292 HydrophobicContact CB-CD2 3.89Å; A267-L292 HydrophobicContact CB-CG 3.56Å |
| 268 | W | 85.6 | Confident | 79.7 | Confident | 29 Ų | 29 | 34.2 Ų | 34.2 | 11% | 0.11 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59 | -48.2 | 175.3 | 174 | -116.3 | 0 | 0 | 0 | 112.9 | E231 R264 Q265 H270 H271 T272 L308 E701 | E231-W268 VanDerWaalsContact OE1-CD1 3.27Å; R264-W268 PolarHBondContact O-N 3.23Å; Q265-W268 PolarHBondContact O-N 3.36Å; W268-H270 PolarHBondContact O-N 2.88Å; W268-H271 PolarHBondContact O-N 3.27Å; W268-T272 HydrophobicContact CD2-CG2 3.77Å; W268-T272 HydrophobicContact CE3-CG2 3.82Å; W268-T272 HydrophobicContact CH2-CG2 3.78Å; W268-T272 HydrophobicContact CZ2-CG2 3.71Å; W268-T272 HydrophobicContact CZ3-CG2 3.83Å; W268-T272 WeakPolarHBondContact O-CB 3.12Å; W268-T272 WeakPolarHBondContact O-CG2 3.49Å; W268-T272 PolarHBondContact O-N 3.36Å; W268-T272 PolarHBondContact O-OG1 2.94Å; W268-L308 HydrophobicContact CB-CD2 3.97Å; W268-L308 HydrophobicContact CE3-CD1 3.88Å; W268-L308 HydrophobicContact CZ3-CD1 4.47Å; W268-E701 HydrophobicContact CH2-CG 4.2Å |
| 269 | L | 83.8 | Confident | 77.9 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.3 | -30.6 | 176.7 | -78.2 | 176.5 | 0 | 0 | 0 | 113.4 | E231 P236 A239 Y243 Q265 T272 A274 F275 | E231-L269 HydrophobicContact CG-CD2 3.91Å; E231-L269 HydrophobicContact CG-CG 4.48Å; P236-L269 HydrophobicContact CB-CD2 3.82Å; A239-L269 HydrophobicContact CB-CD1 4Å; Y243-L269 HydrophobicContact CD2-CD1 4.12Å; Y243-L269 HydrophobicContact CE2-CD1 3.82Å; Q265-L269 WeakPolarHBondContact O-CB 3.43Å; Q265-L269 WeakPolarHBondContact O-CG 3.11Å; Q265-L269 PolarHBondContact O-N 2.88Å; L269-T272 PolarHBondContact O-OG1 2.9Å; L269-A274 HydrophobicContact CD2-CB 4.03Å; L269-A274 WeakPolarHBondContact O-CB 3.42Å; L269-A274 PolarHBondContact O-N 3.37Å; L269-F275 HydrophobicContact CB-CE1 4.29Å; L269-F275 HydrophobicContact CB-CE2 4.09Å; L269-F275 HydrophobicContact CB-CZ 3.57Å; L269-F275 HydrophobicContact CD1-CZ 4.31Å |
| 270 | H | 84.4 | Confident | 75.7 | Confident | 41 Ų | 41 | 43.2 Ų | 43.2 | 19% | 0.19 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -78.1 | -49.8 | 176 | -173.1 | -94 | 0 | 0 | 0 | 111.7 | L266 A267 W268 T272 G273 F275 E284 D288 W291 | L266-H270 WeakPolarHBondContact O-CB 3.27Å; L266-H270 PolarHBondContact O-N 3.19Å; L266-H270 VanDerWaalsContact O-N 3.09Å; A267-H270 PolarHBondContact O-N 2.9Å; W268-H270 PolarHBondContact O-N 2.88Å; H270-T272 VanDerWaalsContact C-N 3.3Å; H270-T272 PolarHBondContact O-N 3.17Å; H270-G273 PolarHBondContact O-N 3.15Å; H270-F275 HydrophobicContact CB-CE2 4.12Å; H270-E284 PolarHBondContact CE1-O 2.77Å; H270-D288 HydrophobicContact CB-CB 4.5Å; H270-W291 HydrophobicContact CB-CZ3 3.94Å |
| 271 | H | 81.5 | Confident | 73.8 | Confident | 50 Ų | 50 | 45 Ų | 45 | 23% | 0.231 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.3 | -37.8 | 179.5 | -177 | 81.4 | 0 | 0 | 0 | 112.8 | A267 W268 G273 D288 C312 | A267-H271 VanDerWaalsContact O-CB 3.27Å; A267-H271 WeakPolarHBondContact O-CB 3.47Å; A267-H271 PolarHBondContact O-N 3.06Å; W268-H271 PolarHBondContact O-N 3.27Å; H271-G273 PolarHBondContact O-N 3.48Å; H271-D288 IonicContact CG-OD2 2.98Å; H271-D288 IonicContact ND1-OD2 3.77Å; H271-D288 PolarHBondContact ND1-OD2 2.92Å; H271-C312 PolarHBondContact ND1-SG 3.45Å; H271-C312 VanDerWaalsContact ND1-SG 3.41Å |
| 272 | T | 77.7 | Confident | 72 | Confident | 55 Ų | 55 | 50 Ų | 50 | 34% | 0.337 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -2 | 176 | 53 | 0 | 0 | 0 | 0 | 114.2 | W268 L269 H270 A274 | W268-T272 HydrophobicContact CD2-CG2 3.77Å; W268-T272 HydrophobicContact CE3-CG2 3.82Å; W268-T272 HydrophobicContact CH2-CG2 3.78Å; W268-T272 HydrophobicContact CZ2-CG2 3.71Å; W268-T272 HydrophobicContact CZ3-CG2 3.83Å; W268-T272 WeakPolarHBondContact O-CB 3.12Å; W268-T272 WeakPolarHBondContact O-CG2 3.49Å; W268-T272 PolarHBondContact O-N 3.36Å; W268-T272 PolarHBondContact O-OG1 2.94Å; L269-T272 PolarHBondContact O-OG1 2.9Å; H270-T272 VanDerWaalsContact C-N 3.3Å; H270-T272 PolarHBondContact O-N 3.17Å; T272-A274 PolarHBondContact O-N 3.36Å |
| 273 | G | 72.8 | Confident | 70.2 | Confident | 43 Ų | 43 | 56.8 Ų | 56.8 | 44% | 0.443 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 14.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | H270 H271 F275 G276 | H270-G273 PolarHBondContact O-N 3.15Å; H271-G273 PolarHBondContact O-N 3.48Å; G273-F275 PolarHBondContact O-N 3.39Å; G273-G276 PolarHBondContact O-N 3.19Å |
| 274 | A | 66.5 | Low | 68.7 | Low | 40 Ų | 40 | 59.2 Ų | 59.2 | 33% | 0.331 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -14.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | P236 L269 T272 G276 | P236-A274 HydrophobicContact CB-CB 3.89Å; P236-A274 HydrophobicContact CG-CB 4.11Å; P236-A274 WeakPolarHBondContact CG-O 3.31Å; L269-A274 HydrophobicContact CD2-CB 4.03Å; L269-A274 WeakPolarHBondContact O-CB 3.42Å; L269-A274 PolarHBondContact O-N 3.37Å; T272-A274 PolarHBondContact O-N 3.36Å; A274-G276 VanDerWaalsContact C-N 3.34Å |
| 275 | F | 64.9 | Low | 67.4 | Low | 28 Ų | 28 | 65.6 Ų | 65.6 | 12% | 0.123 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -13.7 | 176.1 | -56.6 | -51.6 | 0 | 0 | 0 | 114.4 | P236 K240 L269 H270 G273 S277 | P236-F275 HydrophobicContact CB-CD1 4.38Å; P236-F275 HydrophobicContact CB-CE1 4.19Å; K240-F275 HydrophobicContact CB-CE1 3.85Å; K240-F275 HydrophobicContact CB-CZ 4.17Å; K240-F275 HydrophobicContact CD-CD1 4.22Å; K240-F275 HydrophobicContact CD-CE1 3.65Å; K240-F275 HydrophobicContact CD-CE2 4.36Å; K240-F275 HydrophobicContact CD-CZ 3.72Å; K240-F275 HydrophobicContact CG-CE1 4.19Å; K240-F275 HydrophobicContact CG-CZ 4.17Å; L269-F275 HydrophobicContact CB-CE1 4.29Å; L269-F275 HydrophobicContact CB-CE2 4.09Å; L269-F275 HydrophobicContact CB-CZ 3.57Å; L269-F275 HydrophobicContact CD1-CZ 4.31Å; H270-F275 HydrophobicContact CB-CE2 4.12Å; G273-F275 PolarHBondContact O-N 3.39Å; F275-S277 PolarHBondContact O-N 3.04Å; F275-S277 VanDerWaalsContact O-N 3.14Å |
| 276 | G | 54.2 | Low | 66.8 | Low | 72 Ų | 72 | 65.9 Ų | 65.9 | 74% | 0.742 | 38% | 0.379 | S | S | * | . | trans | 75.4 | -10.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | G273 A274 | G273-G276 PolarHBondContact O-N 3.19Å; A274-G276 VanDerWaalsContact C-N 3.34Å | ||
| 277 | S | 50.5 | Low | 66.6 | Low | 75 Ų | 75 | 68 Ų | 68 | 52% | 0.524 | 39% | 0.391 | S | S | . | . | trans | -75.7 | 127.7 | 162.7 | 47.5 | 0 | 0 | 0 | 0 | 109.6 | F275 | F275-S277 PolarHBondContact O-N 3.04Å; F275-S277 VanDerWaalsContact O-N 3.14Å | ||
| 278 | K | 48.2 | Very low | 66.5 | Low | 169 Ų | 169 | 68.5 Ų | 68.5 | 74% | 0.735 | 39% | 0.393 | S | S | * | . | trans | -62.1 | 150.4 | 157.1 | -68.3 | -175 | 175.6 | -172.9 | 0 | 107.9 | E280 | K278-E280 PolarHBondContact O-N 2.85Š| ||
| 279 | P | 50.5 | Low | 66.8 | Low | 74 Ų | 74 | 67.6 Ų | 67.6 | 48% | 0.481 | 39% | 0.391 | S | S | . | . | trans | -66.6 | 97.9 | 174.4 | 26.7 | -33.1 | 0 | 0 | 0 | 108.9 | S281 E284 | P279-S281 VanDerWaalsContact C-N 3.34Å; P279-E284 HydrophobicContact CB-CB 4.3Å | ||
| 280 | E | 44.8 | Very low | 67.1 | Low | 176 Ų | 176 | 72.6 Ų | 72.6 | 82% | 0.822 | 41% | 0.414 | S | S | * | . | trans | -86.2 | -8.5 | -175.6 | -79.1 | 178.8 | -171.7 | 0 | 0 | 112.2 | K278 | K278-E280 PolarHBondContact O-N 2.85Š| ||
| 281 | S | 50.1 | Low | 67.5 | Low | 43 Ų | 43 | 72.2 Ų | 72.2 | 30% | 0.301 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -116.4 | 147.8 | 167.4 | 78.2 | 0 | 0 | 0 | 0 | 112.6 | P279 N283 E284 | P279-S281 VanDerWaalsContact C-N 3.34Å; S281-N283 PolarHBondContact O-N 3.03Å; S281-E284 PolarHBondContact N-OE2 2.91Å; S281-E284 VanDerWaalsContact N-OE2 3.16Å; S281-E284 PolarHBondContact O-N 2.73Å; S281-E284 WeakPolarHBondContact OG-CG 3.13Å; S281-E284 PolarHBondContact OG-OE2 3.15Å |
| 282 | P | 52 | Low | 68 | Low | 113 Ų | 113 | 69.9 Ų | 69.9 | 73% | 0.734 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -16.9 | 173.1 | 28.2 | -34.7 | 0 | 0 | 0 | 113.2 | ||
| 283 | N | 53.6 | Low | 68.8 | Low | 143 Ų | 143 | 71.7 Ų | 71.7 | 77% | 0.765 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -14.3 | 179 | -79.9 | 17 | 0 | 0 | 0 | 113.9 | S281 | S281-N283 PolarHBondContact O-N 3.03Š|
| 284 | E | 62.4 | Low | 69.8 | Low | 70 Ų | 70 | 71.9 Ų | 71.9 | 33% | 0.327 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -83.4 | -19.1 | 177.9 | -74.2 | 162.8 | 128.9 | 0 | 0 | 112.6 | H270 P279 S281 G286 L287 | H270-E284 PolarHBondContact CE1-O 2.77Å; P279-E284 HydrophobicContact CB-CB 4.3Å; S281-E284 PolarHBondContact N-OE2 2.91Å; S281-E284 VanDerWaalsContact N-OE2 3.16Å; S281-E284 PolarHBondContact O-N 2.73Å; S281-E284 WeakPolarHBondContact OG-CG 3.13Å; S281-E284 PolarHBondContact OG-OE2 3.15Å; E284-G286 PolarHBondContact O-N 3.37Å; E284-L287 PolarHBondContact O-N 3.24Å |
| 285 | K | 63.1 | Low | 71 | Confident | 146 Ų | 146 | 70 Ų | 70 | 64% | 0.635 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 119.5 | 175.1 | -69.8 | -166.5 | 173.4 | -165.9 | 0 | 110.4 | L316 | K285-L316 HydrophobicContact CB-CD2 4.29Š|
| 286 | G | 77.4 | Confident | 72.3 | Confident | 10 Ų | 10 | 69.5 Ų | 69.5 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91 | 4.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | E284 D288 V289 Q290 | E284-G286 PolarHBondContact O-N 3.37Å; G286-D288 VanDerWaalsContact CA-OD1 3.3Å; G286-D288 WeakPolarHBondContact CA-OD1 3.42Å; G286-D288 PolarHBondContact O-N 3Å; G286-V289 WeakPolarHBondContact O-CB 3.48Å; G286-V289 PolarHBondContact O-N 3.41Å; G286-Q290 WeakPolarHBondContact O-CG 3.4Å; G286-Q290 PolarHBondContact O-N 3.05Å |
| 287 | L | 85.7 | Confident | 74.2 | Confident | 45 Ų | 45 | 73.6 Ų | 73.6 | 24% | 0.236 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.3 | -31.5 | 170.7 | -177.5 | 61.1 | 0 | 0 | 0 | 111.8 | E284 Q290 W291 | E284-L287 PolarHBondContact O-N 3.24Å; L287-Q290 PolarHBondContact O-N 2.99Å; L287-W291 HydrophobicContact CD1-CZ2 3.97Å; L287-W291 HydrophobicContact CD2-CH2 3.65Å; L287-W291 HydrophobicContact CD2-CZ2 3.64Å; L287-W291 HydrophobicContact CD2-CZ3 4.39Å; L287-W291 HydrophobicContact CG-CD2 4.27Å; L287-W291 HydrophobicContact CG-CE3 4.4Å; L287-W291 HydrophobicContact CG-CH2 3.82Å; L287-W291 HydrophobicContact CG-CZ2 3.64Å; L287-W291 HydrophobicContact CG-CZ3 4.2Å; L287-W291 PolarHBondContact O-N 2.89Å; L287-W291 VanDerWaalsContact O-N 3.08Å |
| 288 | D | 87 | Confident | 76.1 | Confident | 11 Ų | 11 | 72.7 Ų | 72.7 | 6% | 0.059 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 169.1 | 55.5 | -19.5 | 0 | 0 | 0 | 112.1 | A267 H270 H271 G286 Q290 W291 L292 C312 | A267-D288 HydrophobicContact CB-CB 4.1Å; H270-D288 HydrophobicContact CB-CB 4.5Å; H271-D288 IonicContact CG-OD2 2.98Å; H271-D288 IonicContact ND1-OD2 3.77Å; H271-D288 PolarHBondContact ND1-OD2 2.92Å; G286-D288 VanDerWaalsContact CA-OD1 3.3Å; G286-D288 WeakPolarHBondContact CA-OD1 3.42Å; G286-D288 PolarHBondContact O-N 3Å; D288-Q290 PolarHBondContact O-N 2.98Å; D288-W291 PolarHBondContact O-N 3.27Å; D288-L292 WeakPolarHBondContact O-CD1 3.44Å; D288-L292 VanDerWaalsContact O-CG 3.25Å; D288-L292 WeakPolarHBondContact O-CG 3.35Å; D288-L292 PolarHBondContact O-N 2.99Å; D288-C312 PolarHBondContact OD2-SG 3.42Å |
| 289 | V | 91.1 | Very high | 77.9 | Confident | 10 Ų | 10 | 66.7 Ų | 66.7 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.2 | -43 | 172.8 | 171.5 | 0 | 0 | 0 | 0 | 111.8 | G286 L292 Q293 L309 C312 Q313 L316 | G286-V289 WeakPolarHBondContact O-CB 3.48Å; G286-V289 PolarHBondContact O-N 3.41Å; V289-L292 PolarHBondContact O-N 2.74Å; V289-Q293 HydrophobicContact CG1-CG 4.39Å; V289-Q293 WeakPolarHBondContact O-CG 3.18Å; V289-Q293 PolarHBondContact O-N 2.91Å; V289-L309 HydrophobicContact CB-CD1 4.42Å; V289-L309 HydrophobicContact CG1-CD1 3.9Å; V289-L309 HydrophobicContact CG2-CD1 4.34Å; V289-C312 HydrophobicContact CG2-CB 3.63Å; V289-Q313 HydrophobicContact CG2-CG 4.31Å; V289-L316 HydrophobicContact CG2-CD1 3.67Å |
| 290 | Q | 91.5 | Very high | 79.7 | Confident | 110 Ų | 110 | 67.1 Ų | 67.1 | 51% | 0.514 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.3 | -47.3 | 177.8 | -70.9 | 175.2 | 11.1 | 0 | 0 | 112 | G286 L287 D288 L292 Q293 S294 | G286-Q290 WeakPolarHBondContact O-CG 3.4Å; G286-Q290 PolarHBondContact O-N 3.05Å; L287-Q290 PolarHBondContact O-N 2.99Å; D288-Q290 PolarHBondContact O-N 2.98Å; Q290-L292 VanDerWaalsContact C-N 3.31Å; Q290-L292 PolarHBondContact O-N 3.12Å; Q290-Q293 PolarHBondContact O-N 3.36Å; Q290-S294 PolarHBondContact O-N 2.85Å; Q290-S294 PolarHBondContact O-OG 3.4Å |
| 291 | W | 92.7 | Very high | 81.7 | Confident | 34 Ų | 34 | 62.8 Ų | 62.8 | 13% | 0.129 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.4 | -35.6 | 177 | -67.8 | -30.4 | 0 | 0 | 0 | 112.7 | F244 L263 L266 A267 H270 L287 D288 S294 A295 | F244-W291 HydrophobicContact CZ-CH2 4.45Å; F244-W291 AromaticContact CZ-CZ2 3.92Å; F244-W291 HydrophobicContact CZ-CZ2 3.92Å; L263-W291 HydrophobicContact CB-CB 4.44Å; L263-W291 HydrophobicContact CD2-CB 4Å; L263-W291 HydrophobicContact CD2-CG 4.02Å; L266-W291 HydrophobicContact CB-CD2 4.25Å; L266-W291 HydrophobicContact CB-CE3 3.79Å; L266-W291 HydrophobicContact CB-CZ3 3.95Å; L266-W291 WeakPolarHBondContact O-CZ3 3.18Å; A267-W291 HydrophobicContact CB-CB 4.29Å; A267-W291 HydrophobicContact CB-CE3 4.41Å; H270-W291 HydrophobicContact CB-CZ3 3.94Å; L287-W291 HydrophobicContact CD1-CZ2 3.97Å; L287-W291 HydrophobicContact CD2-CH2 3.65Å; L287-W291 HydrophobicContact CD2-CZ2 3.64Å; L287-W291 HydrophobicContact CD2-CZ3 4.39Å; L287-W291 HydrophobicContact CG-CD2 4.27Å; L287-W291 HydrophobicContact CG-CE3 4.4Å; L287-W291 HydrophobicContact CG-CH2 3.82Å; L287-W291 HydrophobicContact CG-CZ2 3.64Å; L287-W291 HydrophobicContact CG-CZ3 4.2Å; L287-W291 PolarHBondContact O-N 2.89Å; L287-W291 VanDerWaalsContact O-N 3.08Å; D288-W291 PolarHBondContact O-N 3.27Å; W291-S294 PolarHBondContact O-N 2.86Å; W291-A295 WeakPolarHBondContact O-CB 3.4Å; W291-A295 PolarHBondContact O-N 2.88Å |
| 292 | L | 92.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.2 | -35.6 | 176.1 | -68.1 | 162.5 | 0 | 0 | 0 | 112.4 | R264 A267 D288 V289 Q290 A295 L296 T305 L308 L309 C312 | R264-L292 HydrophobicContact CG-CD2 4.28Å; A267-L292 HydrophobicContact CB-CD1 3.84Å; A267-L292 HydrophobicContact CB-CD2 3.89Å; A267-L292 HydrophobicContact CB-CG 3.56Å; D288-L292 WeakPolarHBondContact O-CD1 3.44Å; D288-L292 VanDerWaalsContact O-CG 3.25Å; D288-L292 WeakPolarHBondContact O-CG 3.35Å; D288-L292 PolarHBondContact O-N 2.99Å; V289-L292 PolarHBondContact O-N 2.74Å; Q290-L292 VanDerWaalsContact C-N 3.31Å; Q290-L292 PolarHBondContact O-N 3.12Å; L292-A295 PolarHBondContact O-N 3.22Å; L292-L296 VanDerWaalsContact O-CG 3.3Å; L292-L296 WeakPolarHBondContact O-CG 3.4Å; L292-L296 PolarHBondContact O-N 2.93Å; L292-T305 HydrophobicContact CD2-CG2 3.92Å; L292-L308 HydrophobicContact CD1-CB 4.47Å; L292-L308 HydrophobicContact CD1-CD2 4.49Å; L292-L308 HydrophobicContact CD1-CG 3.9Å; L292-L308 HydrophobicContact CD2-CB 4.26Å; L292-L308 HydrophobicContact CD2-CD2 3.89Å; L292-L308 HydrophobicContact CD2-CG 4Å; L292-L309 HydrophobicContact CB-CB 4.29Å; L292-L309 HydrophobicContact CB-CD1 4.16Å; L292-L309 HydrophobicContact CD1-CB 4.37Å; L292-C312 HydrophobicContact CD1-CB 4.21Å; L292-C312 VanDerWaalsContact CD1-SG 3.58Å |
| 293 | Q | 94.2 | Very high | 84.7 | Confident | 93 Ų | 93 | 56.5 Ų | 56.5 | 44% | 0.435 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.6 | -49.4 | 171 | -74.2 | 172 | -25 | 0 | 0 | 110.8 | V289 Q290 A295 L296 E297 | V289-Q293 HydrophobicContact CG1-CG 4.39Å; V289-Q293 WeakPolarHBondContact O-CG 3.18Å; V289-Q293 PolarHBondContact O-N 2.91Å; Q290-Q293 PolarHBondContact O-N 3.36Å; Q293-A295 VanDerWaalsContact C-N 3.26Å; Q293-A295 PolarHBondContact O-N 3.11Å; Q293-L296 PolarHBondContact O-N 3.36Å; Q293-E297 WeakPolarHBondContact O-CG 3.16Å; Q293-E297 PolarHBondContact O-N 3.48Å |
| 294 | S | 93.3 | Very high | 86.1 | Confident | 48 Ų | 48 | 53.1 Ų | 53.1 | 34% | 0.336 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.3 | -25 | 174.9 | -64.4 | 0 | 0 | 0 | 0 | 114 | Q290 W291 L298 | Q290-S294 PolarHBondContact O-N 2.85Å; Q290-S294 PolarHBondContact O-OG 3.4Å; W291-S294 PolarHBondContact O-N 2.86Å; S294-L298 WeakPolarHBondContact O-CG 3.36Å |
| 295 | A | 91.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.7 | -44.2 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | H260 L263 W291 L292 Q293 E297 L298 D299 T305 | H260-A295 PolarHBondContact ND1-O 3.24Å; L263-A295 HydrophobicContact CB-CB 3.95Å; L263-A295 HydrophobicContact CD1-CB 4.38Å; W291-A295 WeakPolarHBondContact O-CB 3.4Å; W291-A295 PolarHBondContact O-N 2.88Å; L292-A295 PolarHBondContact O-N 3.22Å; Q293-A295 VanDerWaalsContact C-N 3.26Å; Q293-A295 PolarHBondContact O-N 3.11Å; A295-E297 VanDerWaalsContact C-N 3.28Å; A295-E297 PolarHBondContact O-N 2.8Å; A295-L298 WeakPolarHBondContact O-CB 3.5Å; A295-L298 PolarHBondContact O-N 2.96Å; A295-D299 PolarHBondContact O-N 3.2Å; A295-T305 HydrophobicContact CB-CG2 3.91Å |
| 296 | L | 92.7 | Very high | 88.7 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 9% | 0.094 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.1 | -23.2 | 178.9 | -68.6 | 170.2 | 0 | 0 | 0 | 113.7 | L292 Q293 L298 D299 N300 T305 W306 L309 | L292-L296 VanDerWaalsContact O-CG 3.3Å; L292-L296 WeakPolarHBondContact O-CG 3.4Å; L292-L296 PolarHBondContact O-N 2.93Å; Q293-L296 PolarHBondContact O-N 3.36Å; L296-L298 VanDerWaalsContact C-N 3.29Å; L296-D299 WeakPolarHBondContact CA-O 3.47Å; L296-D299 CarbonylContact O-C 3.6Å; L296-N300 PolarHBondContact O-N 3.01Å; L296-T305 HydrophobicContact CD2-CG2 3.89Å; L296-T305 HydrophobicContact CG-CG2 3.93Å; L296-W306 HydrophobicContact CD1-CD2 3.81Å; L296-W306 HydrophobicContact CD1-CE3 3.77Å; L296-W306 HydrophobicContact CD1-CG 4.49Å; L296-W306 HydrophobicContact CD1-CH2 4.01Å; L296-W306 HydrophobicContact CD1-CZ2 4.04Å; L296-W306 HydrophobicContact CD1-CZ3 3.88Å; L296-W306 HydrophobicContact CD2-CD2 3.96Å; L296-W306 HydrophobicContact CD2-CG 4.06Å; L296-W306 HydrophobicContact CD2-CZ2 4.19Å; L296-L309 HydrophobicContact CD1-CD2 3.62Å |
| 297 | E | 94.3 | Very high | 89.3 | Confident | 158 Ų | 158 | 45.9 Ų | 45.9 | 74% | 0.738 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -67.5 | -27.1 | 167.3 | -71.2 | 174.3 | 159.9 | 0 | 0 | 113 | Q293 A295 | Q293-E297 WeakPolarHBondContact O-CG 3.16Å; Q293-E297 PolarHBondContact O-N 3.48Å; A295-E297 VanDerWaalsContact C-N 3.28Å; A295-E297 PolarHBondContact O-N 2.8Å |
| 298 | L | 90 | Very high | 89.4 | Confident | 55 Ų | 55 | 44.3 Ų | 44.3 | 29% | 0.288 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -89.2 | -37.4 | 177.4 | -62.1 | 173 | 0 | 0 | 0 | 112.8 | R259 H260 L263 S294 A295 L296 | R259-L298 HydrophobicContact CB-CD1 3.74Å; H260-L298 HydrophobicContact CB-CB 4.26Å; L263-L298 HydrophobicContact CD1-CD1 4.08Å; S294-L298 WeakPolarHBondContact O-CG 3.36Å; A295-L298 WeakPolarHBondContact O-CB 3.5Å; A295-L298 PolarHBondContact O-N 2.96Å; L296-L298 VanDerWaalsContact C-N 3.29Å |
| 299 | D | 85.6 | Confident | 89.6 | Confident | 43 Ų | 43 | 44.3 Ų | 44.3 | 23% | 0.23 | 22% | 0.221 | C | C | . | . | trans | -151.2 | 119.3 | 169.9 | 169 | 41.8 | 0 | 0 | 0 | 110.7 | H260 A295 L296 T301 N302 | H260-D299 PolarHBondContact CE1-O 3.12Å; H260-D299 IonicContact CE1-OD2 3.51Å; H260-D299 PolarHBondContact ND1-O 2.9Å; A295-D299 PolarHBondContact O-N 3.2Å; L296-D299 WeakPolarHBondContact CA-O 3.47Å; L296-D299 CarbonylContact O-C 3.6Å; D299-T301 VanDerWaalsContact CG-OG1 3.28Å; D299-T301 WeakPolarHBondContact OD1-CA 3.47Å; D299-T301 VanDerWaalsContact OD1-CB 3.3Å; D299-T301 WeakPolarHBondContact OD1-CB 3.39Å; D299-T301 WeakPolarHBondContact OD1-CG2 3.48Å; D299-T301 PolarHBondContact OD1-N 3.12Å; D299-T301 PolarHBondContact OD1-OG1 3.04Å; D299-T301 PolarHBondContact OD2-OG1 3.38Å; D299-N302 VanDerWaalsContact OD2-CB 3.29Å; D299-N302 WeakPolarHBondContact OD2-CB 3.36Å; D299-N302 PolarHBondContact OD2-N 2.66Å | ||
| 300 | N | 89 | Confident | 89.5 | Confident | 84 Ų | 84 | 43.8 Ų | 43.8 | 45% | 0.449 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -96.8 | 3.9 | 176.4 | 69.5 | 77.9 | 0 | 0 | 0 | 113.6 | L296 W306 K332 | L296-N300 PolarHBondContact O-N 3.01Å; N300-W306 PolarHBondContact O-NE1 2.81Å; N300-K332 WeakPolarHBondContact O-CE 3.15Å; N300-K332 PolarHBondContact O-NZ 2.9Å; N300-K332 PolarHBondContact OD1-NZ 2.86Å |
| 301 | T | 85.7 | Confident | 89.3 | Confident | 85 Ų | 85 | 40.4 Ų | 40.4 | 52% | 0.521 | 20% | 0.2 | S | C | . | . | trans | -87.3 | -27.9 | 178.8 | 71.3 | 0 | 0 | 0 | 0 | 112.8 | D299 G303 | D299-T301 VanDerWaalsContact CG-OG1 3.28Å; D299-T301 WeakPolarHBondContact OD1-CA 3.47Å; D299-T301 VanDerWaalsContact OD1-CB 3.3Å; D299-T301 WeakPolarHBondContact OD1-CB 3.39Å; D299-T301 WeakPolarHBondContact OD1-CG2 3.48Å; D299-T301 PolarHBondContact OD1-N 3.12Å; D299-T301 PolarHBondContact OD1-OG1 3.04Å; D299-T301 PolarHBondContact OD2-OG1 3.38Å; T301-G303 PolarHBondContact O-N 3.04Å | ||
| 302 | N | 82.6 | Confident | 89.1 | Confident | 24 Ų | 24 | 38.8 Ų | 38.8 | 13% | 0.128 | 19% | 0.194 | C | C | . | . | trans | -68.1 | 101.5 | 178.3 | -160.1 | -69.6 | 0 | 0 | 0 | 113.4 | R264 D299 K304 T305 W306 D691 | R264-N302 VanDerWaalsContact NH1-CG 3.34Å; R264-N302 PolarHBondContact NH1-ND2 3.02Å; R264-N302 PolarHBondContact NH1-OD1 3.42Å; D299-N302 VanDerWaalsContact OD2-CB 3.29Å; D299-N302 WeakPolarHBondContact OD2-CB 3.36Å; D299-N302 PolarHBondContact OD2-N 2.66Å; N302-K304 VanDerWaalsContact C-N 3.29Å; N302-K304 PolarHBondContact O-N 3.32Å; N302-K304 WeakPolarHBondContact OD1-CB 3.49Å; N302-K304 PolarHBondContact OD1-N 2.94Å; N302-K304 VanDerWaalsContact OD1-N 3.11Å; N302-T305 WeakPolarHBondContact O-CB 3.34Å; N302-T305 PolarHBondContact O-N 2.9Å; N302-T305 PolarHBondContact OD1-N 3.4Å; N302-T305 PolarHBondContact OD1-OG1 3.49Å; N302-W306 PolarHBondContact O-N 2.97Å; N302-D691 PolarHBondContact ND2-OD2 3.27Å | ||
| 303 | G | 83.6 | Confident | 89 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.5 | -20.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | T301 T305 W306 Y307 S329 T333 | T301-G303 PolarHBondContact O-N 3.04Å; G303-T305 VanDerWaalsContact C-N 3.34Å; G303-W306 WeakPolarHBondContact O-CB 3.46Å; G303-W306 PolarHBondContact O-N 3.48Å; G303-Y307 PolarHBondContact O-N 2.71Å; G303-S329 VanDerWaalsContact O-CB 3.27Å; G303-S329 WeakPolarHBondContact O-CB 3.47Å; G303-S329 PolarHBondContact O-OG 2.89Å; G303-T333 WeakPolarHBondContact CA-OG1 3.44Å |
| 304 | K | 83.4 | Confident | 88.7 | Confident | 71 Ų | 71 | 36.2 Ų | 36.2 | 31% | 0.309 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -70.9 | -32.8 | 174.5 | -65.2 | 169 | -178 | 153.1 | 0 | 111.4 | N302 Y307 L308 D691 | N302-K304 VanDerWaalsContact C-N 3.29Å; N302-K304 PolarHBondContact O-N 3.32Å; N302-K304 WeakPolarHBondContact OD1-CB 3.49Å; N302-K304 PolarHBondContact OD1-N 2.94Å; N302-K304 VanDerWaalsContact OD1-N 3.11Å; K304-Y307 PolarHBondContact O-N 3.1Å; K304-L308 PolarHBondContact O-N 2.88Å; K304-D691 PolarHBondContact NZ-O 2.96Å; K304-D691 IonicContact NZ-OD1 3.92Å; K304-D691 IonicContact NZ-OD2 3.96Å; K304-D691 PolarHBondContact NZ-OD2 3.38Å |
| 305 | T | 88.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.9 | -38.1 | 173.7 | -48.8 | 0 | 0 | 0 | 0 | 111.2 | H260 R264 L292 A295 L296 N302 G303 L309 | H260-T305 PolarHBondContact CE1-OG1 3.44Å; H260-T305 PolarHBondContact NE2-OG1 3.15Å; R264-T305 WeakPolarHBondContact CD-OG1 3.3Å; R264-T305 HydrophobicContact CG-CG2 4.43Å; L292-T305 HydrophobicContact CD2-CG2 3.92Å; A295-T305 HydrophobicContact CB-CG2 3.91Å; L296-T305 HydrophobicContact CD2-CG2 3.89Å; L296-T305 HydrophobicContact CG-CG2 3.93Å; N302-T305 WeakPolarHBondContact O-CB 3.34Å; N302-T305 PolarHBondContact O-N 2.9Å; N302-T305 PolarHBondContact OD1-N 3.4Å; N302-T305 PolarHBondContact OD1-OG1 3.49Å; G303-T305 VanDerWaalsContact C-N 3.34Å; T305-L309 WeakPolarHBondContact O-CB 3.31Å; T305-L309 PolarHBondContact O-N 3.13Å |
| 306 | W | 90.7 | Very high | 88 | Confident | 53 Ų | 53 | 39.1 Ų | 39.1 | 20% | 0.201 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.6 | -41.3 | 170 | -75.6 | 110.3 | 0 | 0 | 0 | 113.2 | L296 N300 N302 G303 L309 G310 A325 | L296-W306 HydrophobicContact CD1-CD2 3.81Å; L296-W306 HydrophobicContact CD1-CE3 3.77Å; L296-W306 HydrophobicContact CD1-CG 4.49Å; L296-W306 HydrophobicContact CD1-CH2 4.01Å; L296-W306 HydrophobicContact CD1-CZ2 4.04Å; L296-W306 HydrophobicContact CD1-CZ3 3.88Å; L296-W306 HydrophobicContact CD2-CD2 3.96Å; L296-W306 HydrophobicContact CD2-CG 4.06Å; L296-W306 HydrophobicContact CD2-CZ2 4.19Å; N300-W306 PolarHBondContact O-NE1 2.81Å; N302-W306 PolarHBondContact O-N 2.97Å; G303-W306 WeakPolarHBondContact O-CB 3.46Å; G303-W306 PolarHBondContact O-N 3.48Å; W306-L309 HydrophobicContact CE3-CD2 4.04Å; W306-L309 HydrophobicContact CZ3-CD2 4.03Å; W306-L309 PolarHBondContact O-N 3.33Å; W306-G310 PolarHBondContact O-N 2.72Å; W306-A325 HydrophobicContact CE3-CB 4.14Å; W306-A325 WeakPolarHBondContact O-CB 3.43Å |
| 307 | Y | 89.3 | Confident | 87.6 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 9% | 0.086 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.5 | -47.7 | 174.3 | 164.9 | -114.5 | 0 | 0 | 0 | 112 | G303 K304 L309 G310 R311 Y326 S329 D338 T339 S342 E701 | G303-Y307 PolarHBondContact O-N 2.71Å; K304-Y307 PolarHBondContact O-N 3.1Å; Y307-L309 PolarHBondContact O-N 3.45Å; Y307-G310 WeakPolarHBondContact O-CA 3.49Å; Y307-G310 PolarHBondContact O-N 3.3Å; Y307-G310 VanDerWaalsContact O-N 3.13Å; Y307-R311 HydrophobicContact CE2-CG 4.19Å; Y307-R311 VanDerWaalsContact CZ-CD 3.44Å; Y307-R311 PolarHBondContact O-N 3.03Å; Y307-R311 WeakPolarHBondContact OH-CD 3.34Å; Y307-R311 PolarHBondContact OH-NH1 3.24Å; Y307-R311 VanDerWaalsContact OH-NH1 3.14Å; Y307-Y326 HydrophobicContact CD2-CD1 4.03Å; Y307-Y326 AromaticContact CD2-CE1 3.85Å; Y307-Y326 HydrophobicContact CD2-CE1 3.85Å; Y307-Y326 HydrophobicContact CE2-CE1 4.18Å; Y307-Y326 WeakPolarHBondContact O-CE1 3.41Å; Y307-S329 WeakPolarHBondContact CB-OG 3.5Å; Y307-D338 HydrophobicContact CE2-CB 4.45Å; Y307-T339 HydrophobicContact CD2-CG2 4.31Å; Y307-T339 VanDerWaalsContact CD2-OG1 3.23Å; Y307-T339 WeakPolarHBondContact CD2-OG1 3.35Å; Y307-S342 WeakPolarHBondContact CE2-OG 3.21Å; Y307-E701 PolarHBondContact OH-OE2 2.93Å |
| 308 | L | 88.2 | Confident | 87.4 | Confident | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.4 | -37.7 | 178.5 | -176.7 | 54.2 | 0 | 0 | 0 | 111.8 | R264 W268 L292 K304 G310 R311 C312 | R264-L308 HydrophobicContact CG-CD2 4.08Å; W268-L308 HydrophobicContact CB-CD2 3.97Å; W268-L308 HydrophobicContact CE3-CD1 3.88Å; W268-L308 HydrophobicContact CZ3-CD1 4.47Å; L292-L308 HydrophobicContact CD1-CB 4.47Å; L292-L308 HydrophobicContact CD1-CD2 4.49Å; L292-L308 HydrophobicContact CD1-CG 3.9Å; L292-L308 HydrophobicContact CD2-CB 4.26Å; L292-L308 HydrophobicContact CD2-CD2 3.89Å; L292-L308 HydrophobicContact CD2-CG 4Å; K304-L308 PolarHBondContact O-N 2.88Å; L308-G310 VanDerWaalsContact C-N 3.31Å; L308-G310 PolarHBondContact O-N 2.63Å; L308-R311 PolarHBondContact O-N 3.39Å; L308-C312 PolarHBondContact O-N 3.18Å; L308-C312 PolarHBondContact O-SG 3.45Å; L308-C312 VanDerWaalsContact O-SG 3.37Å |
| 309 | L | 91.8 | Very high | 87.3 | Confident | 10 Ų | 10 | 39.9 Ų | 39.9 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.1 | -41.5 | 171.2 | 177.4 | 62.3 | 0 | 0 | 0 | 111.6 | V289 L292 L296 T305 W306 Y307 R311 C312 Q313 A325 | V289-L309 HydrophobicContact CB-CD1 4.42Å; V289-L309 HydrophobicContact CG1-CD1 3.9Å; V289-L309 HydrophobicContact CG2-CD1 4.34Å; L292-L309 HydrophobicContact CB-CB 4.29Å; L292-L309 HydrophobicContact CB-CD1 4.16Å; L292-L309 HydrophobicContact CD1-CB 4.37Å; L296-L309 HydrophobicContact CD1-CD2 3.62Å; T305-L309 WeakPolarHBondContact O-CB 3.31Å; T305-L309 PolarHBondContact O-N 3.13Å; W306-L309 HydrophobicContact CE3-CD2 4.04Å; W306-L309 HydrophobicContact CZ3-CD2 4.03Å; W306-L309 PolarHBondContact O-N 3.33Å; Y307-L309 PolarHBondContact O-N 3.45Å; L309-R311 VanDerWaalsContact C-N 3.33Å; L309-R311 PolarHBondContact O-N 3.36Å; L309-C312 PolarHBondContact O-N 3.16Å; L309-Q313 HydrophobicContact CD1-CG 4.04Å; L309-Q313 HydrophobicContact CG-CG 4.4Å; L309-Q313 WeakPolarHBondContact O-CB 3.33Å; L309-Q313 VanDerWaalsContact O-CG 3.3Å; L309-Q313 WeakPolarHBondContact O-CG 3.26Å; L309-Q313 PolarHBondContact O-N 2.93Å; L309-A325 HydrophobicContact CB-CB 4.26Å; L309-A325 HydrophobicContact CD2-CB 4.19Å; L309-A325 HydrophobicContact CG-CB 4.03Å |
| 310 | G | 89.5 | Confident | 87.4 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59 | -41.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | W306 Y307 L308 A314 A322 Y326 | W306-G310 PolarHBondContact O-N 2.72Å; Y307-G310 WeakPolarHBondContact O-CA 3.49Å; Y307-G310 PolarHBondContact O-N 3.3Å; Y307-G310 VanDerWaalsContact O-N 3.13Å; L308-G310 VanDerWaalsContact C-N 3.31Å; L308-G310 PolarHBondContact O-N 2.63Å; G310-A314 VanDerWaalsContact O-CB 3.32Å; G310-A314 WeakPolarHBondContact O-CB 3.24Å; G310-A314 PolarHBondContact O-N 2.97Å; G310-A322 WeakPolarHBondContact O-CB 3.16Å; G310-Y326 VanDerWaalsContact C-CZ 3.46Å; G310-Y326 PolarHBondContact O-OH 2.69Å |
| 311 | R | 87.3 | Confident | 87.5 | Confident | 38 Ų | 38 | 41.6 Ų | 41.6 | 14% | 0.143 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.7 | -44 | 175.5 | -75.1 | -178.9 | 57.7 | 163.9 | -2.3 | 113 | Y307 L308 L309 A314 A315 Y326 E701 | Y307-R311 HydrophobicContact CE2-CG 4.19Å; Y307-R311 VanDerWaalsContact CZ-CD 3.44Å; Y307-R311 PolarHBondContact O-N 3.03Å; Y307-R311 WeakPolarHBondContact OH-CD 3.34Å; Y307-R311 PolarHBondContact OH-NH1 3.24Å; Y307-R311 VanDerWaalsContact OH-NH1 3.14Å; L308-R311 PolarHBondContact O-N 3.39Å; L309-R311 VanDerWaalsContact C-N 3.33Å; L309-R311 PolarHBondContact O-N 3.36Å; R311-A314 PolarHBondContact O-N 3.44Å; R311-A315 WeakPolarHBondContact O-CB 3.4Å; R311-A315 PolarHBondContact O-N 3.01Å; R311-Y326 WeakPolarHBondContact CA-OH 3.49Å; R311-Y326 HydrophobicContact CG-CE1 4.09Å; R311-Y326 WeakPolarHBondContact CG-OH 3.34Å; R311-Y326 PolarHBondContact N-OH 3.25Å; R311-E701 IonicContact NH1-OE2 2.71Å; R311-E701 PolarHBondContact NH1-OE2 3.42Å |
| 312 | C | 88.2 | Confident | 87.6 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 176.6 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | H271 D288 V289 L292 L308 L309 A315 L316 | H271-C312 PolarHBondContact ND1-SG 3.45Å; H271-C312 VanDerWaalsContact ND1-SG 3.41Å; D288-C312 PolarHBondContact OD2-SG 3.42Å; V289-C312 HydrophobicContact CG2-CB 3.63Å; L292-C312 HydrophobicContact CD1-CB 4.21Å; L292-C312 VanDerWaalsContact CD1-SG 3.58Å; L308-C312 PolarHBondContact O-N 3.18Å; L308-C312 PolarHBondContact O-SG 3.45Å; L308-C312 VanDerWaalsContact O-SG 3.37Å; L309-C312 PolarHBondContact O-N 3.16Å; C312-A315 PolarHBondContact O-N 3.17Å; C312-L316 WeakPolarHBondContact O-CG 3.21Å; C312-L316 PolarHBondContact O-N 3.44Å; C312-L316 VanDerWaalsContact O-N 3.17Å |
| 313 | Q | 90.1 | Very high | 87.9 | Confident | 18 Ų | 18 | 36.9 Ų | 36.9 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.2 | -39.3 | 176.6 | -67.4 | -73.2 | 39.2 | 0 | 0 | 112.5 | V289 L309 A315 L316 N317 H318 E321 A322 | V289-Q313 HydrophobicContact CG2-CG 4.31Å; L309-Q313 HydrophobicContact CD1-CG 4.04Å; L309-Q313 HydrophobicContact CG-CG 4.4Å; L309-Q313 WeakPolarHBondContact O-CB 3.33Å; L309-Q313 VanDerWaalsContact O-CG 3.3Å; L309-Q313 WeakPolarHBondContact O-CG 3.26Å; L309-Q313 PolarHBondContact O-N 2.93Å; Q313-A315 PolarHBondContact O-N 3.36Å; Q313-L316 CarbonylContact O-C 3.46Å; Q313-L316 PolarHBondContact O-N 3.08Å; Q313-L316 VanDerWaalsContact O-N 3.15Å; Q313-N317 PolarHBondContact O-N 3.06Å; Q313-H318 HydrophobicContact CB-CB 4.13Å; Q313-H318 PolarHBondContact O-N 2.87Å; Q313-H318 PolarHBondContact OE1-ND1 3.41Å; Q313-E321 HydrophobicContact CB-CB 4.2Å; Q313-E321 HydrophobicContact CG-CB 4Å; Q313-A322 HydrophobicContact CB-CB 4.01Å |
| 314 | A | 87.5 | Confident | 88.2 | Confident | 22 Ų | 22 | 39.2 Ų | 39.2 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | G310 R311 L316 N317 A322 L346 | G310-A314 VanDerWaalsContact O-CB 3.32Å; G310-A314 WeakPolarHBondContact O-CB 3.24Å; G310-A314 PolarHBondContact O-N 2.97Å; R311-A314 PolarHBondContact O-N 3.44Å; A314-L316 PolarHBondContact O-N 3.09Å; A314-N317 WeakPolarHBondContact O-CA 3.45Å; A314-N317 PolarHBondContact O-N 3.43Å; A314-A322 HydrophobicContact CB-CB 4.03Å; A314-L346 HydrophobicContact CB-CD1 4.11Å |
| 315 | A | 83.8 | Confident | 88.5 | Confident | 58 Ų | 58 | 36 Ų | 36 | 48% | 0.479 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66 | -19.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R311 C312 Q313 | R311-A315 WeakPolarHBondContact O-CB 3.4Å; R311-A315 PolarHBondContact O-N 3.01Å; C312-A315 PolarHBondContact O-N 3.17Å; Q313-A315 PolarHBondContact O-N 3.36Å |
| 316 | L | 86.4 | Confident | 88.6 | Confident | 50 Ų | 50 | 36.4 Ų | 36.4 | 26% | 0.262 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -0.1 | 170.4 | -65.7 | 173.1 | 0 | 0 | 0 | 113.3 | K285 V289 C312 Q313 A314 H318 | K285-L316 HydrophobicContact CB-CD2 4.29Å; V289-L316 HydrophobicContact CG2-CD1 3.67Å; C312-L316 WeakPolarHBondContact O-CG 3.21Å; C312-L316 PolarHBondContact O-N 3.44Å; C312-L316 VanDerWaalsContact O-N 3.17Å; Q313-L316 CarbonylContact O-C 3.46Å; Q313-L316 PolarHBondContact O-N 3.08Å; Q313-L316 VanDerWaalsContact O-N 3.15Å; A314-L316 PolarHBondContact O-N 3.09Å; L316-H318 PolarHBondContact O-N 2.9Å |
| 317 | N | 85 | Confident | 88.4 | Confident | 128 Ų | 128 | 38.9 Ų | 38.9 | 68% | 0.684 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 24.8 | -172.6 | -164.3 | 74.2 | 0 | 0 | 0 | 113.9 | Q313 A314 V319 | Q313-N317 PolarHBondContact O-N 3.06Å; A314-N317 WeakPolarHBondContact O-CA 3.45Å; A314-N317 PolarHBondContact O-N 3.43Å; N317-V319 VanDerWaalsContact C-N 3.33Å; N317-V319 PolarHBondContact O-N 3.15Å |
| 318 | H | 89.4 | Confident | 88.4 | Confident | 87 Ų | 87 | 39.3 Ų | 39.3 | 40% | 0.403 | 21% | 0.211 | S | C | . | . | trans | -86.6 | 74.2 | 171.1 | -63.6 | 157.1 | 0 | 0 | 0 | 109.8 | Q313 L316 Q320 E321 A322 | Q313-H318 HydrophobicContact CB-CB 4.13Å; Q313-H318 PolarHBondContact O-N 2.87Å; Q313-H318 PolarHBondContact OE1-ND1 3.41Å; L316-H318 PolarHBondContact O-N 2.9Å; H318-Q320 PolarHBondContact O-N 2.83Å; H318-E321 HydrophobicContact CB-CB 4.2Å; H318-E321 HydrophobicContact CB-CG 4.38Å; H318-E321 WeakPolarHBondContact CB-OE2 3.46Å; H318-A322 WeakPolarHBondContact O-CB 3.35Å; H318-A322 PolarHBondContact O-N 2.81Å | ||
| 319 | V | 87.4 | Confident | 88.4 | Confident | 33 Ų | 33 | 38.9 Ų | 38.9 | 20% | 0.2 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.7 | -39.5 | -166.6 | 175.3 | 0 | 0 | 0 | 0 | 113.2 | N317 A322 F323 L346 Q350 | N317-V319 VanDerWaalsContact C-N 3.33Å; N317-V319 PolarHBondContact O-N 3.15Å; V319-A322 PolarHBondContact O-N 3.18Å; V319-F323 HydrophobicContact CG1-CD2 4.04Å; V319-F323 HydrophobicContact CG1-CE2 3.72Å; V319-F323 WeakPolarHBondContact O-CD2 3.23Å; V319-F323 PolarHBondContact O-N 3.43Å; V319-L346 HydrophobicContact CG1-CD1 4.38Å; V319-L346 HydrophobicContact CG1-CD2 4.46Å; V319-L346 HydrophobicContact CG1-CG 4.36Å; V319-L346 HydrophobicContact CG2-CD1 4.39Å; V319-Q350 HydrophobicContact CG1-CG 4.13Å |
| 320 | Q | 87.6 | Confident | 88 | Confident | 70 Ų | 70 | 40.4 Ų | 40.4 | 33% | 0.327 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -73.5 | -41.7 | -176.2 | -60.8 | -170.2 | 23.5 | 0 | 0 | 111.3 | H318 A322 F323 A324 E486 | H318-Q320 PolarHBondContact O-N 2.83Å; Q320-A322 VanDerWaalsContact C-N 3.31Å; Q320-A322 PolarHBondContact O-N 2.84Å; Q320-F323 PolarHBondContact O-N 3.32Å; Q320-A324 WeakPolarHBondContact O-CB 3.46Å; Q320-A324 PolarHBondContact O-N 3.02Å; Q320-E486 PolarHBondContact NE2-OE2 2.75Å |
| 321 | E | 90.4 | Very high | 87.8 | Confident | 93 Ų | 93 | 45.6 Ų | 45.6 | 44% | 0.435 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 174.2 | -62.8 | 76.7 | -175.9 | 0 | 0 | 111 | Q313 H318 A324 A325 | Q313-E321 HydrophobicContact CB-CB 4.2Å; Q313-E321 HydrophobicContact CG-CB 4Å; H318-E321 HydrophobicContact CB-CB 4.2Å; H318-E321 HydrophobicContact CB-CG 4.38Å; H318-E321 WeakPolarHBondContact CB-OE2 3.46Å; E321-A324 PolarHBondContact O-N 3.06Å; E321-A325 WeakPolarHBondContact O-CB 3.39Å; E321-A325 PolarHBondContact O-N 2.67Å |
| 322 | A | 88.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.8 | -48.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G310 Q313 A314 H318 V319 Q320 A325 Y326 L346 | G310-A322 WeakPolarHBondContact O-CB 3.16Å; Q313-A322 HydrophobicContact CB-CB 4.01Å; A314-A322 HydrophobicContact CB-CB 4.03Å; H318-A322 WeakPolarHBondContact O-CB 3.35Å; H318-A322 PolarHBondContact O-N 2.81Å; V319-A322 PolarHBondContact O-N 3.18Å; Q320-A322 VanDerWaalsContact C-N 3.31Å; Q320-A322 PolarHBondContact O-N 2.84Å; A322-A325 PolarHBondContact O-N 2.9Å; A322-Y326 HydrophobicContact CB-CE2 4.34Å; A322-Y326 WeakPolarHBondContact O-CD2 3.22Å; A322-Y326 PolarHBondContact O-N 3.45Å; A322-L346 HydrophobicContact CB-CD2 3.69Å |
| 323 | F | 88.5 | Confident | 86.9 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 4% | 0.044 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 174.2 | -74.6 | -65.4 | 0 | 0 | 0 | 113.2 | V319 Q320 A325 Y326 R327 I343 L346 Y347 Q479 | V319-F323 HydrophobicContact CG1-CD2 4.04Å; V319-F323 HydrophobicContact CG1-CE2 3.72Å; V319-F323 WeakPolarHBondContact O-CD2 3.23Å; V319-F323 PolarHBondContact O-N 3.43Å; Q320-F323 PolarHBondContact O-N 3.32Å; F323-A325 VanDerWaalsContact C-N 3.31Å; F323-A325 PolarHBondContact O-N 3.21Å; F323-Y326 PolarHBondContact O-N 3.01Å; F323-R327 VanDerWaalsContact O-CB 3.25Å; F323-R327 WeakPolarHBondContact O-CB 3.35Å; F323-R327 PolarHBondContact O-N 2.98Å; F323-I343 HydrophobicContact CE1-CG2 4.28Å; F323-L346 HydrophobicContact CD1-CD2 3.87Å; F323-L346 HydrophobicContact CD2-CD2 3.77Å; F323-L346 HydrophobicContact CE1-CB 4.26Å; F323-L346 HydrophobicContact CE1-CD2 3.77Å; F323-L346 HydrophobicContact CE1-CG 4.2Å; F323-L346 HydrophobicContact CE2-CD2 3.73Å; F323-L346 HydrophobicContact CE2-CG 4.03Å; F323-L346 HydrophobicContact CG-CD2 3.87Å; F323-L346 HydrophobicContact CZ-CB 4.17Å; F323-L346 HydrophobicContact CZ-CD2 3.71Å; F323-L346 HydrophobicContact CZ-CG 3.82Å; F323-Y347 AromaticContact CE1-CD1 3.97Å; F323-Y347 HydrophobicContact CE1-CD1 3.97Å; F323-Y347 HydrophobicContact CE1-CD2 4.03Å; F323-Y347 AromaticContact CE1-CE1 3.55Å; F323-Y347 HydrophobicContact CE1-CE1 3.55Å; F323-Y347 AromaticContact CE1-CE2 3.65Å; F323-Y347 HydrophobicContact CE1-CE2 3.65Å; F323-Y347 HydrophobicContact CE1-CG 4.15Å; F323-Y347 AromaticContact CE1-CZ 3.35Å; F323-Y347 HydrophobicContact CE2-CE1 4.17Å; F323-Y347 AromaticContact CZ-CD1 3.5Å; F323-Y347 HydrophobicContact CZ-CD1 3.5Å; F323-Y347 VanDerWaalsContact CZ-CD1 3.5Å; F323-Y347 HydrophobicContact CZ-CD2 4.34Å; F323-Y347 AromaticContact CZ-CE1 3.29Å; F323-Y347 HydrophobicContact CZ-CE1 3.29Å; F323-Y347 HydrophobicContact CZ-CE2 4.2Å; F323-Y347 AromaticContact CZ-CG 3.99Å; F323-Y347 HydrophobicContact CZ-CG 3.99Å; F323-Y347 AromaticContact CZ-CZ 3.66Å; F323-Q479 HydrophobicContact CB-CG 4.41Å |
| 324 | A | 89.9 | Confident | 85.7 | Confident | 49 Ų | 49 | 58.5 Ų | 58.5 | 41% | 0.405 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q320 E321 S328 | Q320-A324 WeakPolarHBondContact O-CB 3.46Å; Q320-A324 PolarHBondContact O-N 3.02Å; E321-A324 PolarHBondContact O-N 3.06Å; A324-S328 PolarHBondContact O-N 2.97Å; A324-S328 PolarHBondContact O-OG 3.11Å |
| 325 | A | 90.6 | Very high | 84.9 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.3 | -44.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | W306 L309 E321 A322 F323 R327 S328 S329 | W306-A325 HydrophobicContact CE3-CB 4.14Å; W306-A325 WeakPolarHBondContact O-CB 3.43Å; L309-A325 HydrophobicContact CB-CB 4.26Å; L309-A325 HydrophobicContact CD2-CB 4.19Å; L309-A325 HydrophobicContact CG-CB 4.03Å; E321-A325 WeakPolarHBondContact O-CB 3.39Å; E321-A325 PolarHBondContact O-N 2.67Å; A322-A325 PolarHBondContact O-N 2.9Å; F323-A325 VanDerWaalsContact C-N 3.31Å; F323-A325 PolarHBondContact O-N 3.21Å; A325-R327 VanDerWaalsContact C-N 3.3Å; A325-R327 PolarHBondContact O-N 2.72Å; A325-S328 PolarHBondContact O-N 3.41Å; A325-S329 PolarHBondContact O-N 2.97Å |
| 326 | Y | 89.9 | Confident | 84.6 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62 | -37 | 174.3 | -68.4 | -43.2 | 0 | 0 | 0 | 112.7 | Y307 G310 R311 A322 F323 S329 I330 T339 I343 L346 | Y307-Y326 HydrophobicContact CD2-CD1 4.03Å; Y307-Y326 AromaticContact CD2-CE1 3.85Å; Y307-Y326 HydrophobicContact CD2-CE1 3.85Å; Y307-Y326 HydrophobicContact CE2-CE1 4.18Å; Y307-Y326 WeakPolarHBondContact O-CE1 3.41Å; G310-Y326 VanDerWaalsContact C-CZ 3.46Å; G310-Y326 PolarHBondContact O-OH 2.69Å; R311-Y326 WeakPolarHBondContact CA-OH 3.49Å; R311-Y326 HydrophobicContact CG-CE1 4.09Å; R311-Y326 WeakPolarHBondContact CG-OH 3.34Å; R311-Y326 PolarHBondContact N-OH 3.25Å; A322-Y326 HydrophobicContact CB-CE2 4.34Å; A322-Y326 WeakPolarHBondContact O-CD2 3.22Å; A322-Y326 PolarHBondContact O-N 3.45Å; F323-Y326 PolarHBondContact O-N 3.01Å; Y326-S329 VanDerWaalsContact O-CB 3.32Å; Y326-S329 WeakPolarHBondContact O-CB 3.39Å; Y326-S329 PolarHBondContact O-N 3.36Å; Y326-I330 PolarHBondContact O-N 3.32Å; Y326-T339 HydrophobicContact CD1-CG2 4.25Å; Y326-I343 HydrophobicContact CD2-CG1 3.89Å; Y326-I343 HydrophobicContact CG-CG1 3.96Å; Y326-L346 HydrophobicContact CD2-CD2 4.34Å; Y326-L346 HydrophobicContact CE2-CD2 4.08Å |
| 327 | R | 87.4 | Confident | 84.6 | Confident | 105 Ų | 105 | 56.3 Ų | 56.3 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.2 | -48.5 | 172.6 | -179.3 | 179.2 | -175.7 | 143.1 | 7.2 | 111.2 | F323 A325 S329 I330 D331 T476 | F323-R327 VanDerWaalsContact O-CB 3.25Å; F323-R327 WeakPolarHBondContact O-CB 3.35Å; F323-R327 PolarHBondContact O-N 2.98Å; A325-R327 VanDerWaalsContact C-N 3.3Å; A325-R327 PolarHBondContact O-N 2.72Å; R327-S329 PolarHBondContact O-N 2.74Å; R327-I330 PolarHBondContact O-N 3.22Å; R327-D331 WeakPolarHBondContact CG-OD2 3.26Å; R327-D331 IonicContact NE-OD2 3.78Å; R327-D331 PolarHBondContact O-N 3.38Å; R327-T476 PolarHBondContact NH1-O 3.06Å |
| 328 | S | 89.5 | Confident | 84.5 | Confident | 31 Ų | 31 | 52.4 Ų | 52.4 | 22% | 0.217 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.6 | -30.8 | 174.5 | -66.7 | 0 | 0 | 0 | 0 | 112.7 | A324 A325 K332 | A324-S328 PolarHBondContact O-N 2.97Å; A324-S328 PolarHBondContact O-OG 3.11Å; A325-S328 PolarHBondContact O-N 3.41Å; S328-K332 WeakPolarHBondContact O-CB 3.25Å; S328-K332 WeakPolarHBondContact O-CG 3.38Å; S328-K332 PolarHBondContact O-N 3.32Å |
| 329 | S | 86.5 | Confident | 84.4 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.9 | -47.3 | 172.1 | -174.7 | 0 | 0 | 0 | 0 | 112.3 | G303 Y307 A325 Y326 R327 K332 T333 | G303-S329 VanDerWaalsContact O-CB 3.27Å; G303-S329 WeakPolarHBondContact O-CB 3.47Å; G303-S329 PolarHBondContact O-OG 2.89Å; Y307-S329 WeakPolarHBondContact CB-OG 3.5Å; A325-S329 PolarHBondContact O-N 2.97Å; Y326-S329 VanDerWaalsContact O-CB 3.32Å; Y326-S329 WeakPolarHBondContact O-CB 3.39Å; Y326-S329 PolarHBondContact O-N 3.36Å; R327-S329 PolarHBondContact O-N 2.74Å; S329-K332 PolarHBondContact O-N 3.49Å; S329-T333 PolarHBondContact O-N 3.38Å; S329-T333 PolarHBondContact O-OG1 2.9Å |
| 330 | I | 84.6 | Confident | 84.5 | Confident | 43 Ų | 43 | 48.8 Ų | 48.8 | 22% | 0.221 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.5 | -36.8 | 178.9 | -65.1 | 167 | 0 | 0 | 0 | 111.7 | Y326 R327 K332 A335 T339 W340 I343 | Y326-I330 PolarHBondContact O-N 3.32Å; R327-I330 PolarHBondContact O-N 3.22Å; I330-K332 PolarHBondContact O-N 3.42Å; I330-A335 HydrophobicContact CG2-CB 4.21Å; I330-T339 HydrophobicContact CD1-CG2 4.01Å; I330-T339 HydrophobicContact CG1-CG2 3.86Å; I330-W340 HydrophobicContact CD1-CD2 4.27Å; I330-W340 HydrophobicContact CD1-CH2 4.33Å; I330-W340 HydrophobicContact CD1-CZ2 3.85Å; I330-I343 HydrophobicContact CD1-CD1 3.59Å |
| 331 | D | 85 | Confident | 84.7 | Confident | 109 Ų | 109 | 45.7 Ų | 45.7 | 58% | 0.583 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -8.5 | 177.9 | -71.2 | -22 | 0 | 0 | 0 | 112.6 | R327 | R327-D331 WeakPolarHBondContact CG-OD2 3.26Å; R327-D331 IonicContact NE-OD2 3.78Å; R327-D331 PolarHBondContact O-N 3.38Å |
| 332 | K | 83.4 | Confident | 84.7 | Confident | 85 Ų | 85 | 42.3 Ų | 42.3 | 37% | 0.37 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | -25.2 | -175 | -68.3 | -70.3 | -170.1 | 139 | 0 | 115.7 | N300 S328 S329 I330 | N300-K332 WeakPolarHBondContact O-CE 3.15Å; N300-K332 PolarHBondContact O-NZ 2.9Å; N300-K332 PolarHBondContact OD1-NZ 2.86Å; S328-K332 WeakPolarHBondContact O-CB 3.25Å; S328-K332 WeakPolarHBondContact O-CG 3.38Å; S328-K332 PolarHBondContact O-N 3.32Å; S329-K332 PolarHBondContact O-N 3.49Å; I330-K332 PolarHBondContact O-N 3.42Å |
| 333 | T | 73.6 | Confident | 84.7 | Confident | 47 Ų | 47 | 42.9 Ų | 42.9 | 29% | 0.288 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -133.8 | 156 | 179.5 | 42.2 | 0 | 0 | 0 | 0 | 111.1 | G303 S329 A335 | G303-T333 WeakPolarHBondContact CA-OG1 3.44Å; S329-T333 PolarHBondContact O-N 3.38Å; S329-T333 PolarHBondContact O-OG1 2.9Å; T333-A335 PolarHBondContact O-N 3.23Å |
| 334 | E | 65.4 | Low | 84.8 | Confident | 195 Ų | 195 | 42.4 Ų | 42.4 | 91% | 0.911 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -55.2 | 129.3 | 172.9 | -171.4 | 166.9 | -145.4 | 0 | 0 | 109.9 | S336 | E334-S336 PolarHBondContact O-N 3.21Š|
| 335 | A | 69.7 | Low | 84.8 | Confident | 30 Ų | 30 | 41.3 Ų | 41.3 | 25% | 0.248 | 22% | 0.215 | C | C | . | . | trans | -67.4 | 110.8 | -159.1 | 0 | 0 | 0 | 0 | 0 | 112 | I330 T333 L366 | I330-A335 HydrophobicContact CG2-CB 4.21Å; T333-A335 PolarHBondContact O-N 3.23Å; A335-L366 WeakPolarHBondContact O-CD1 3.34Å | ||
| 336 | S | 78.5 | Confident | 84.7 | Confident | 46 Ų | 46 | 41.4 Ų | 41.4 | 32% | 0.322 | 22% | 0.215 | S | C | . | . | trans | -74.5 | 148.4 | 178.6 | 79.6 | 0 | 0 | 0 | 0 | 112.2 | E334 D338 T339 W340 | E334-S336 PolarHBondContact O-N 3.21Å; S336-D338 VanDerWaalsContact C-N 3.28Å; S336-D338 PolarHBondContact O-N 2.64Å; S336-T339 PolarHBondContact O-N 2.81Å; S336-T339 PolarHBondContact OG-N 3.28Å; S336-T339 PolarHBondContact OG-OG1 3.02Å; S336-W340 PolarHBondContact O-N 3.22Å | ||
| 337 | A | 85 | Confident | 84.8 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.1 | -32.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | W340 C341 A363 L366 D367 H370 | A337-W340 PolarHBondContact O-N 3.1Å; A337-C341 WeakPolarHBondContact O-CB 3.44Å; A337-C341 PolarHBondContact O-N 2.91Å; A337-A363 HydrophobicContact CB-CB 4.24Å; A337-A363 WeakPolarHBondContact CB-O 3.35Å; A337-A363 VanDerWaalsContact O-CB 3.23Å; A337-A363 WeakPolarHBondContact O-CB 3.37Å; A337-L366 HydrophobicContact CB-CB 4.13Å; A337-D367 HydrophobicContact CB-CB 4.37Å; A337-H370 VanDerWaalsContact CB-CD2 3.44Å; A337-H370 WeakPolarHBondContact CB-CD2 3.13Å |
| 338 | D | 83.9 | Confident | 84.8 | Confident | 46 Ų | 46 | 38.9 Ų | 38.9 | 25% | 0.246 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.5 | -37.5 | 177.4 | -55.3 | -81 | 0 | 0 | 0 | 112.9 | Y307 S336 C341 S342 H370 | Y307-D338 HydrophobicContact CE2-CB 4.45Å; S336-D338 VanDerWaalsContact C-N 3.28Å; S336-D338 PolarHBondContact O-N 2.64Å; D338-C341 PolarHBondContact O-N 3.17Å; D338-S342 WeakPolarHBondContact O-CB 3.29Å; D338-S342 PolarHBondContact O-N 3.47Å; D338-S342 PolarHBondContact O-OG 3.2Å; D338-H370 VanDerWaalsContact CA-NE2 3.34Å; D338-H370 WeakPolarHBondContact CA-NE2 3.49Å; D338-H370 WeakPolarHBondContact CB-NE2 3.45Å; D338-H370 PolarHBondContact N-NE2 3.09Å; D338-H370 IonicContact OD1-CD2 2.63Å; D338-H370 IonicContact OD1-CE1 2.61Å; D338-H370 PolarHBondContact OD1-CE1 3.33Å; D338-H370 VanDerWaalsContact OD1-CE1 3.32Å; D338-H370 CovalentContact OD1-NE2 1.8Å; D338-H370 IonicContact OD1-NE2 3.15Å; D338-H370 PolarHBondContact OD1-NE2 2.84Å; D338-H370 IonicContact OD2-NE2 2.69Å; D338-H370 PolarHBondContact OD2-NE2 3.02Å |
| 339 | T | 86.8 | Confident | 84.8 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.8 | -46.5 | 173.9 | -60.3 | 0 | 0 | 0 | 0 | 110.5 | Y307 Y326 I330 S336 C341 S342 I343 | Y307-T339 HydrophobicContact CD2-CG2 4.31Å; Y307-T339 VanDerWaalsContact CD2-OG1 3.23Å; Y307-T339 WeakPolarHBondContact CD2-OG1 3.35Å; Y326-T339 HydrophobicContact CD1-CG2 4.25Å; I330-T339 HydrophobicContact CD1-CG2 4.01Å; I330-T339 HydrophobicContact CG1-CG2 3.86Å; S336-T339 PolarHBondContact O-N 2.81Å; S336-T339 PolarHBondContact OG-N 3.28Å; S336-T339 PolarHBondContact OG-OG1 3.02Å; T339-C341 PolarHBondContact O-N 3.16Å; T339-S342 PolarHBondContact O-N 3Å; T339-I343 HydrophobicContact CG2-CD1 4.09Å; T339-I343 VanDerWaalsContact O-CG1 3.29Å; T339-I343 WeakPolarHBondContact O-CG1 3.37Å; T339-I343 PolarHBondContact O-N 3.15Å |
| 340 | W | 89.7 | Confident | 84.9 | Confident | 43 Ų | 43 | 44.9 Ų | 44.9 | 16% | 0.163 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.9 | -37.2 | 174.9 | -78.5 | 108.7 | 0 | 0 | 0 | 113.3 | I330 S336 A337 I343 G344 A359 C362 A363 L366 | I330-W340 HydrophobicContact CD1-CD2 4.27Å; I330-W340 HydrophobicContact CD1-CH2 4.33Å; I330-W340 HydrophobicContact CD1-CZ2 3.85Å; S336-W340 PolarHBondContact O-N 3.22Å; A337-W340 PolarHBondContact O-N 3.1Å; W340-I343 HydrophobicContact CE3-CD1 4.26Å; W340-G344 PolarHBondContact O-N 3.49Å; W340-A359 HydrophobicContact CE3-CB 4.26Å; W340-C362 HydrophobicContact CB-CB 4.21Å; W340-C362 HydrophobicContact CD2-CB 3.63Å; W340-C362 HydrophobicContact CE3-CB 3.86Å; W340-C362 HydrophobicContact CG-CB 3.8Å; W340-C362 HydrophobicContact CZ3-CB 4.49Å; W340-A363 HydrophobicContact CB-CB 3.9Å; W340-L366 HydrophobicContact CG-CD1 4.29Å |
| 341 | C | 91.1 | Very high | 85 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 173.8 | -168.7 | 0 | 0 | 0 | 0 | 111.2 | A337 D338 T339 G344 V345 Y360 A363 A373 | A337-C341 WeakPolarHBondContact O-CB 3.44Å; A337-C341 PolarHBondContact O-N 2.91Å; D338-C341 PolarHBondContact O-N 3.17Å; T339-C341 PolarHBondContact O-N 3.16Å; C341-G344 WeakPolarHBondContact O-CA 3.31Å; C341-G344 PolarHBondContact O-N 3.28Å; C341-G344 VanDerWaalsContact O-N 3.13Å; C341-V345 PolarHBondContact O-N 3.37Å; C341-Y360 WeakPolarHBondContact O-CE1 3.33Å; C341-A363 HydrophobicContact CB-CB 4.21Å; C341-A373 HydrophobicContact CB-CB 4.31Å |
| 342 | S | 90.3 | Very high | 85.2 | Confident | 22 Ų | 22 | 45 Ų | 45 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.3 | -37 | -179.2 | -53.3 | 0 | 0 | 0 | 0 | 112.5 | Y307 D338 T339 G344 V345 L346 | Y307-S342 WeakPolarHBondContact CE2-OG 3.21Å; D338-S342 WeakPolarHBondContact O-CB 3.29Å; D338-S342 PolarHBondContact O-N 3.47Å; D338-S342 PolarHBondContact O-OG 3.2Å; T339-S342 PolarHBondContact O-N 3Å; S342-G344 VanDerWaalsContact C-N 3.3Å; S342-G344 PolarHBondContact O-N 3.43Å; S342-V345 PolarHBondContact O-N 3.28Å; S342-L346 PolarHBondContact O-N 2.8Å; S342-L346 VanDerWaalsContact O-N 3.12Å |
| 343 | I | 89.2 | Confident | 85.4 | Confident | 12 Ų | 12 | 42.2 Ų | 42.2 | 6% | 0.062 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.3 | -42 | 168.4 | -71.2 | 167.4 | 0 | 0 | 0 | 110.8 | F323 Y326 I330 T339 W340 L346 Y347 A359 | F323-I343 HydrophobicContact CE1-CG2 4.28Å; Y326-I343 HydrophobicContact CD2-CG1 3.89Å; Y326-I343 HydrophobicContact CG-CG1 3.96Å; I330-I343 HydrophobicContact CD1-CD1 3.59Å; T339-I343 HydrophobicContact CG2-CD1 4.09Å; T339-I343 VanDerWaalsContact O-CG1 3.29Å; T339-I343 WeakPolarHBondContact O-CG1 3.37Å; T339-I343 PolarHBondContact O-N 3.15Å; W340-I343 HydrophobicContact CE3-CD1 4.26Å; I343-L346 PolarHBondContact O-N 3.41Å; I343-Y347 HydrophobicContact CG2-CD2 3.7Å; I343-Y347 HydrophobicContact CG2-CE2 3.38Å; I343-Y347 VanDerWaalsContact O-CD2 3.31Å; I343-Y347 WeakPolarHBondContact O-CD2 3.26Å; I343-Y347 PolarHBondContact O-N 3.32Å; I343-A359 HydrophobicContact CB-CB 4.42Å; I343-A359 HydrophobicContact CG2-CB 3.88Å |
| 344 | G | 90 | Very high | 86.1 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.4 | -41.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | W340 C341 S342 Y347 Q348 A356 Y360 | W340-G344 PolarHBondContact O-N 3.49Å; C341-G344 WeakPolarHBondContact O-CA 3.31Å; C341-G344 PolarHBondContact O-N 3.28Å; C341-G344 VanDerWaalsContact O-N 3.13Å; S342-G344 VanDerWaalsContact C-N 3.3Å; S342-G344 PolarHBondContact O-N 3.43Å; G344-Y347 PolarHBondContact O-N 3.36Å; G344-Q348 WeakPolarHBondContact O-CB 3.23Å; G344-Q348 PolarHBondContact O-N 3.02Å; G344-A356 WeakPolarHBondContact O-CB 3.17Å; G344-Y360 VanDerWaalsContact C-CZ 3.42Å; G344-Y360 PolarHBondContact O-OH 3.42Å |
| 345 | V | 90.7 | Very high | 87.1 | Confident | 26 Ų | 26 | 32.8 Ų | 32.8 | 16% | 0.158 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.6 | -48.8 | 173.1 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | C341 S342 Y347 Q348 E349 Y360 L706 | C341-V345 PolarHBondContact O-N 3.37Å; S342-V345 PolarHBondContact O-N 3.28Å; V345-Y347 PolarHBondContact O-N 3.27Å; V345-Q348 WeakPolarHBondContact O-CA 3.35Å; V345-Q348 WeakPolarHBondContact O-CB 3.32Å; V345-Q348 PolarHBondContact O-N 2.95Å; V345-E349 HydrophobicContact CG1-CG 4.43Å; V345-E349 WeakPolarHBondContact O-CG 3.29Å; V345-E349 PolarHBondContact O-N 3.38Å; V345-Y360 WeakPolarHBondContact CA-OH 3.38Å; V345-Y360 HydrophobicContact CG2-CE1 4.13Å; V345-Y360 PolarHBondContact N-OH 2.69Å; V345-L706 HydrophobicContact CG1-CD1 4.47Å |
| 346 | L | 89.2 | Confident | 88.1 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.4 | -41 | -177.3 | -165.1 | 64.7 | 0 | 0 | 0 | 112.2 | A314 V319 A322 F323 Y326 S342 I343 Q348 E349 Q350 | A314-L346 HydrophobicContact CB-CD1 4.11Å; V319-L346 HydrophobicContact CG1-CD1 4.38Å; V319-L346 HydrophobicContact CG1-CD2 4.46Å; V319-L346 HydrophobicContact CG1-CG 4.36Å; V319-L346 HydrophobicContact CG2-CD1 4.39Å; A322-L346 HydrophobicContact CB-CD2 3.69Å; F323-L346 HydrophobicContact CD1-CD2 3.87Å; F323-L346 HydrophobicContact CD2-CD2 3.77Å; F323-L346 HydrophobicContact CE1-CB 4.26Å; F323-L346 HydrophobicContact CE1-CD2 3.77Å; F323-L346 HydrophobicContact CE1-CG 4.2Å; F323-L346 HydrophobicContact CE2-CD2 3.73Å; F323-L346 HydrophobicContact CE2-CG 4.03Å; F323-L346 HydrophobicContact CG-CD2 3.87Å; F323-L346 HydrophobicContact CZ-CB 4.17Å; F323-L346 HydrophobicContact CZ-CD2 3.71Å; F323-L346 HydrophobicContact CZ-CG 3.82Å; Y326-L346 HydrophobicContact CD2-CD2 4.34Å; Y326-L346 HydrophobicContact CE2-CD2 4.08Å; S342-L346 PolarHBondContact O-N 2.8Å; S342-L346 VanDerWaalsContact O-N 3.12Å; I343-L346 PolarHBondContact O-N 3.41Å; L346-Q348 VanDerWaalsContact C-N 3.35Å; L346-E349 PolarHBondContact O-N 2.83Å; L346-Q350 PolarHBondContact O-N 3.01Å; L346-Q350 PolarHBondContact O-NE2 3.15Å |
| 347 | Y | 90.2 | Very high | 88.7 | Confident | 12 Ų | 12 | 29.2 Ų | 29.2 | 5% | 0.047 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.6 | -35 | 172.2 | -76.8 | -55.3 | 0 | 0 | 0 | 113 | F323 I343 G344 V345 Q350 S351 Q352 D355 L475 Q479 | F323-Y347 AromaticContact CE1-CD1 3.97Å; F323-Y347 HydrophobicContact CE1-CD1 3.97Å; F323-Y347 HydrophobicContact CE1-CD2 4.03Å; F323-Y347 AromaticContact CE1-CE1 3.55Å; F323-Y347 HydrophobicContact CE1-CE1 3.55Å; F323-Y347 AromaticContact CE1-CE2 3.65Å; F323-Y347 HydrophobicContact CE1-CE2 3.65Å; F323-Y347 HydrophobicContact CE1-CG 4.15Å; F323-Y347 AromaticContact CE1-CZ 3.35Å; F323-Y347 HydrophobicContact CE2-CE1 4.17Å; F323-Y347 AromaticContact CZ-CD1 3.5Å; F323-Y347 HydrophobicContact CZ-CD1 3.5Å; F323-Y347 VanDerWaalsContact CZ-CD1 3.5Å; F323-Y347 HydrophobicContact CZ-CD2 4.34Å; F323-Y347 AromaticContact CZ-CE1 3.29Å; F323-Y347 HydrophobicContact CZ-CE1 3.29Å; F323-Y347 HydrophobicContact CZ-CE2 4.2Å; F323-Y347 AromaticContact CZ-CG 3.99Å; F323-Y347 HydrophobicContact CZ-CG 3.99Å; F323-Y347 AromaticContact CZ-CZ 3.66Å; I343-Y347 HydrophobicContact CG2-CD2 3.7Å; I343-Y347 HydrophobicContact CG2-CE2 3.38Å; I343-Y347 VanDerWaalsContact O-CD2 3.31Å; I343-Y347 WeakPolarHBondContact O-CD2 3.26Å; I343-Y347 PolarHBondContact O-N 3.32Å; G344-Y347 PolarHBondContact O-N 3.36Å; V345-Y347 PolarHBondContact O-N 3.27Å; Y347-Q350 CarbonylContact O-C 3.52Å; Y347-Q350 PolarHBondContact O-N 2.9Å; Y347-S351 PolarHBondContact O-N 3.29Å; Y347-Q352 HydrophobicContact CD1-CB 4.34Å; Y347-Q352 PolarHBondContact O-N 3.4Å; Y347-D355 HydrophobicContact CD1-CB 4.18Å; Y347-D355 HydrophobicContact CD2-CB 4.25Å; Y347-D355 HydrophobicContact CG-CB 4.1Å; Y347-L475 HydrophobicContact CD2-CD2 4.34Å; Y347-L475 HydrophobicContact CE2-CD2 3.37Å; Y347-L475 WeakPolarHBondContact OH-CD2 3.23Å; Y347-Q479 PolarHBondContact OH-OE1 3.36Å |
| 348 | Q | 89.4 | Confident | 88.9 | Confident | 48 Ų | 48 | 30.5 Ų | 30.5 | 22% | 0.224 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.6 | -39.3 | 177.5 | -176.6 | 172.4 | -19.2 | 0 | 0 | 111.6 | G344 V345 L346 Q350 S351 A356 Y360 L380 | G344-Q348 WeakPolarHBondContact O-CB 3.23Å; G344-Q348 PolarHBondContact O-N 3.02Å; V345-Q348 WeakPolarHBondContact O-CA 3.35Å; V345-Q348 WeakPolarHBondContact O-CB 3.32Å; V345-Q348 PolarHBondContact O-N 2.95Å; L346-Q348 VanDerWaalsContact C-N 3.35Å; Q348-Q350 VanDerWaalsContact C-N 3.34Å; Q348-Q350 PolarHBondContact O-N 2.85Å; Q348-S351 PolarHBondContact O-N 3.01Å; Q348-A356 HydrophobicContact CB-CB 4.04Å; Q348-Y360 PolarHBondContact OE1-OH 2.85Å; Q348-L380 HydrophobicContact CG-CD1 4.11Å |
| 349 | E | 88 | Confident | 89.1 | Confident | 100 Ų | 100 | 28.3 Ų | 28.3 | 47% | 0.467 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62.2 | -39.2 | 173.3 | -69.6 | 171.7 | 153.6 | 0 | 0 | 111.8 | V345 L346 S351 | V345-E349 HydrophobicContact CG1-CG 4.43Å; V345-E349 WeakPolarHBondContact O-CG 3.29Å; V345-E349 PolarHBondContact O-N 3.38Å; L346-E349 PolarHBondContact O-N 2.83Å; E349-S351 PolarHBondContact O-N 3.12Å; E349-S351 VanDerWaalsContact O-N 3.15Å |
| 350 | Q | 88.5 | Confident | 89.4 | Confident | 60 Ų | 60 | 28.3 Ų | 28.3 | 28% | 0.28 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 5.3 | 171.7 | -79.3 | 159.1 | 92.3 | 0 | 0 | 114.8 | V319 L346 Y347 Q348 Q352 | V319-Q350 HydrophobicContact CG1-CG 4.13Å; L346-Q350 PolarHBondContact O-N 3.01Å; L346-Q350 PolarHBondContact O-NE2 3.15Å; Y347-Q350 CarbonylContact O-C 3.52Å; Y347-Q350 PolarHBondContact O-N 2.9Å; Q348-Q350 VanDerWaalsContact C-N 3.34Å; Q348-Q350 PolarHBondContact O-N 2.85Å; Q350-Q352 VanDerWaalsContact C-N 3.28Å; Q350-Q352 HydrophobicContact CB-CG 4.29Å; Q350-Q352 PolarHBondContact O-N 3.03Å |
| 351 | S | 88.2 | Confident | 89.4 | Confident | 101 Ų | 101 | 26.9 Ų | 26.9 | 71% | 0.706 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 36.5 | -176.5 | -55.9 | 0 | 0 | 0 | 0 | 113.8 | Y347 Q348 E349 P353 | Y347-S351 PolarHBondContact O-N 3.29Å; Q348-S351 PolarHBondContact O-N 3.01Å; E349-S351 PolarHBondContact O-N 3.12Å; E349-S351 VanDerWaalsContact O-N 3.15Å; S351-P353 WeakPolarHBondContact O-CD 3.48Å |
| 352 | Q | 88.2 | Confident | 89.2 | Confident | 55 Ų | 55 | 27.1 Ų | 27.1 | 26% | 0.257 | 15% | 0.146 | S | C | . | . | trans | -107 | 71.5 | 173.7 | -62.4 | -179.5 | 30.8 | 0 | 0 | 110.3 | Y347 Q350 M354 D355 A356 | Y347-Q352 HydrophobicContact CD1-CB 4.34Å; Y347-Q352 PolarHBondContact O-N 3.4Å; Q350-Q352 VanDerWaalsContact C-N 3.28Å; Q350-Q352 HydrophobicContact CB-CG 4.29Å; Q350-Q352 PolarHBondContact O-N 3.03Å; Q352-M354 VanDerWaalsContact C-N 3.28Å; Q352-M354 PolarHBondContact O-N 2.86Å; Q352-D355 HydrophobicContact CB-CB 4.42Å; Q352-D355 PolarHBondContact O-N 3.36Å; Q352-A356 WeakPolarHBondContact O-CB 3.31Å; Q352-A356 PolarHBondContact O-N 2.94Å | ||
| 353 | P | 87.8 | Confident | 89.1 | Confident | 26 Ų | 26 | 26 Ų | 26 | 17% | 0.169 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.7 | -20.4 | -166.7 | 29.8 | -38.6 | 0 | 0 | 0 | 114.2 | S351 L357 L380 M384 L460 | S351-P353 WeakPolarHBondContact O-CD 3.48Å; P353-L357 WeakPolarHBondContact O-CB 3.42Å; P353-L357 PolarHBondContact O-N 3.03Å; P353-L380 HydrophobicContact CB-CD1 3.84Å; P353-M384 HydrophobicContact CB-CE 4.47Å; P353-M384 HydrophobicContact CB-CG 4.47Å; P353-M384 HydrophobicContact CB-SD 4.09Å; P353-M384 HydrophobicContact CG-SD 4.12Å; P353-L460 HydrophobicContact CB-CD1 4.39Å; P353-L460 HydrophobicContact CB-CD2 4.18Å |
| 354 | M | 87.9 | Confident | 89.1 | Confident | 29 Ų | 29 | 25.5 Ų | 25.5 | 14% | 0.143 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -78.4 | -45.1 | 178.9 | -172.3 | 65.8 | -124.5 | 0 | 0 | 111.5 | Q352 L357 Q358 I457 L460 P461 L469 | Q352-M354 VanDerWaalsContact C-N 3.28Å; Q352-M354 PolarHBondContact O-N 2.86Å; M354-L357 HydrophobicContact CE-CD2 3.98Å; M354-L357 WeakPolarHBondContact O-CB 3.46Å; M354-L357 PolarHBondContact O-N 3Å; M354-Q358 HydrophobicContact CE-CG 3.95Å; M354-Q358 PolarHBondContact O-N 3.12Å; M354-Q358 VanDerWaalsContact O-N 3.16Å; M354-I457 HydrophobicContact CB-CD1 3.95Å; M354-I457 HydrophobicContact CG-CD1 4.49Å; M354-L460 HydrophobicContact CB-CD2 4.35Å; M354-L460 HydrophobicContact SD-CD2 4.1Å; M354-P461 HydrophobicContact CE-CG 4.24Å; M354-P461 HydrophobicContact SD-CG 4.18Å; M354-L469 HydrophobicContact CE-CD1 3.71Å |
| 355 | D | 86.9 | Confident | 89 | Confident | 14 Ų | 14 | 30.6 Ų | 30.6 | 8% | 0.075 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.4 | -38.2 | 176.7 | -53.5 | -107.5 | 0 | 0 | 0 | 110.2 | Y347 Q352 Q358 A359 L475 R478 | Y347-D355 HydrophobicContact CD1-CB 4.18Å; Y347-D355 HydrophobicContact CD2-CB 4.25Å; Y347-D355 HydrophobicContact CG-CB 4.1Å; Q352-D355 HydrophobicContact CB-CB 4.42Å; Q352-D355 PolarHBondContact O-N 3.36Å; D355-Q358 PolarHBondContact O-N 2.88Å; D355-A359 PolarHBondContact O-N 3.49Å; D355-L475 HydrophobicContact CB-CD2 4.35Å; D355-R478 VanDerWaalsContact CG-NH1 3.33Å; D355-R478 IonicContact OD1-CZ 3.61Å; D355-R478 IonicContact OD1-NH1 3.87Å; D355-R478 PolarHBondContact OD1-NH1 3.37Å; D355-R478 IonicContact OD2-NH1 3.81Å; D355-R478 PolarHBondContact OD2-NH1 3.04Å |
| 356 | A | 90.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 169 | 0 | 0 | 0 | 0 | 0 | 112.9 | G344 Q348 Q352 Q358 A359 Y360 L380 | G344-A356 WeakPolarHBondContact O-CB 3.17Å; Q348-A356 HydrophobicContact CB-CB 4.04Å; Q352-A356 WeakPolarHBondContact O-CB 3.31Å; Q352-A356 PolarHBondContact O-N 2.94Å; A356-Q358 VanDerWaalsContact C-N 3.3Å; A356-Q358 PolarHBondContact O-N 2.9Å; A356-A359 PolarHBondContact O-N 2.89Å; A356-Y360 HydrophobicContact CB-CE2 4.35Å; A356-Y360 WeakPolarHBondContact O-CD2 3.37Å; A356-Y360 PolarHBondContact O-N 3.43Å; A356-L380 HydrophobicContact CB-CD1 4.45Å; A356-L380 HydrophobicContact CB-CD2 4.18Å |
| 357 | L | 91.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.1 | -45.4 | 177.2 | -175.7 | 69.8 | 0 | 0 | 0 | 110.9 | P353 M354 F361 L377 L380 Y381 L460 P461 A466 | P353-L357 WeakPolarHBondContact O-CB 3.42Å; P353-L357 PolarHBondContact O-N 3.03Å; M354-L357 HydrophobicContact CE-CD2 3.98Å; M354-L357 WeakPolarHBondContact O-CB 3.46Å; M354-L357 PolarHBondContact O-N 3Å; L357-F361 HydrophobicContact CD1-CD2 4.05Å; L357-F361 HydrophobicContact CD1-CE2 3.94Å; L357-F361 HydrophobicContact CG-CD2 4.16Å; L357-F361 HydrophobicContact CG-CE2 4.37Å; L357-F361 WeakPolarHBondContact O-CB 3.38Å; L357-F361 WeakPolarHBondContact O-CD2 3.43Å; L357-F361 PolarHBondContact O-N 3.45Å; L357-L377 HydrophobicContact CD1-CD2 3.57Å; L357-L380 HydrophobicContact CB-CD2 3.83Å; L357-L380 HydrophobicContact CD1-CD2 3.99Å; L357-Y381 HydrophobicContact CD1-CE2 3.82Å; L357-L460 HydrophobicContact CD2-CB 4.38Å; L357-L460 HydrophobicContact CD2-CD1 4.45Å; L357-L460 HydrophobicContact CD2-CD2 4.32Å; L357-P461 HydrophobicContact CD2-CG 4.49Å; L357-A466 HydrophobicContact CD2-CB 4.22Å |
| 358 | Q | 88.7 | Confident | 88.2 | Confident | 34 Ų | 34 | 43.1 Ų | 43.1 | 16% | 0.159 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.6 | -41.7 | -179.8 | -72.1 | 173.8 | -37.8 | 0 | 0 | 112.3 | M354 D355 A356 F361 C362 P472 L475 | M354-Q358 HydrophobicContact CE-CG 3.95Å; M354-Q358 PolarHBondContact O-N 3.12Å; M354-Q358 VanDerWaalsContact O-N 3.16Å; D355-Q358 PolarHBondContact O-N 2.88Å; A356-Q358 VanDerWaalsContact C-N 3.3Å; A356-Q358 PolarHBondContact O-N 2.9Å; Q358-F361 PolarHBondContact O-N 3.24Å; Q358-C362 PolarHBondContact O-N 3.41Å; Q358-C362 PolarHBondContact O-SG 2.94Å; Q358-C362 VanDerWaalsContact O-SG 3.34Å; Q358-P472 VanDerWaalsContact NE2-CG 3.26Å; Q358-L475 HydrophobicContact CB-CD1 4.03Å |
| 359 | A | 88.7 | Confident | 88 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62 | -45.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | W340 I343 D355 A356 F361 C362 A363 | W340-A359 HydrophobicContact CE3-CB 4.26Å; I343-A359 HydrophobicContact CB-CB 4.42Å; I343-A359 HydrophobicContact CG2-CB 3.88Å; D355-A359 PolarHBondContact O-N 3.49Å; A356-A359 PolarHBondContact O-N 2.89Å; A359-F361 VanDerWaalsContact C-N 3.33Å; A359-F361 PolarHBondContact O-N 2.95Å; A359-C362 WeakPolarHBondContact O-CB 3.42Å; A359-C362 PolarHBondContact O-N 2.94Å; A359-A363 PolarHBondContact O-N 3.2Å; A359-A363 VanDerWaalsContact O-N 3.16Å |
| 360 | Y | 92.5 | Very high | 87.9 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.3 | -35 | 174.2 | -61.2 | -49.2 | 0 | 0 | 0 | 113 | C341 G344 V345 Q348 A356 A363 V364 N376 L377 L380 | C341-Y360 WeakPolarHBondContact O-CE1 3.33Å; G344-Y360 VanDerWaalsContact C-CZ 3.42Å; G344-Y360 PolarHBondContact O-OH 3.42Å; V345-Y360 WeakPolarHBondContact CA-OH 3.38Å; V345-Y360 HydrophobicContact CG2-CE1 4.13Å; V345-Y360 PolarHBondContact N-OH 2.69Å; Q348-Y360 PolarHBondContact OE1-OH 2.85Å; A356-Y360 HydrophobicContact CB-CE2 4.35Å; A356-Y360 WeakPolarHBondContact O-CD2 3.37Å; A356-Y360 PolarHBondContact O-N 3.43Å; Y360-A363 WeakPolarHBondContact O-CB 3.4Å; Y360-A363 PolarHBondContact O-N 3.19Å; Y360-V364 PolarHBondContact O-N 2.88Å; Y360-N376 HydrophobicContact CD1-CB 4.09Å; Y360-N376 HydrophobicContact CE1-CB 3.52Å; Y360-N376 HydrophobicContact CE2-CB 4.19Å; Y360-L377 HydrophobicContact CD2-CG 4.38Å; Y360-L377 HydrophobicContact CG-CG 4.33Å; Y360-L380 HydrophobicContact CD2-CD2 3.84Å; Y360-L380 HydrophobicContact CE2-CB 4.19Å; Y360-L380 HydrophobicContact CE2-CD2 3.91Å |
| 361 | F | 90.1 | Very high | 87.8 | Confident | 13 Ų | 13 | 37.6 Ų | 37.6 | 6% | 0.057 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.5 | -39.7 | 174.3 | -100.7 | -95.3 | 0 | 0 | 0 | 112.4 | L357 Q358 A359 A363 V364 Q365 L377 V463 A466 W467 | L357-F361 HydrophobicContact CD1-CD2 4.05Å; L357-F361 HydrophobicContact CD1-CE2 3.94Å; L357-F361 HydrophobicContact CG-CD2 4.16Å; L357-F361 HydrophobicContact CG-CE2 4.37Å; L357-F361 WeakPolarHBondContact O-CB 3.38Å; L357-F361 WeakPolarHBondContact O-CD2 3.43Å; L357-F361 PolarHBondContact O-N 3.45Å; Q358-F361 PolarHBondContact O-N 3.24Å; A359-F361 VanDerWaalsContact C-N 3.33Å; A359-F361 PolarHBondContact O-N 2.95Å; F361-A363 VanDerWaalsContact C-N 3.31Å; F361-A363 PolarHBondContact O-N 2.8Å; F361-V364 PolarHBondContact O-N 3.33Å; F361-Q365 WeakPolarHBondContact O-CB 3.43Å; F361-Q365 PolarHBondContact O-N 3.47Å; F361-L377 HydrophobicContact CD2-CD1 4.26Å; F361-L377 HydrophobicContact CD2-CD2 3.82Å; F361-L377 HydrophobicContact CE2-CD1 4.33Å; F361-L377 HydrophobicContact CE2-CD2 3.57Å; F361-V463 HydrophobicContact CZ-CG1 4.17Å; F361-A466 HydrophobicContact CD1-CB 4.4Å; F361-A466 HydrophobicContact CD2-CB 4.05Å; F361-A466 HydrophobicContact CE1-CB 3.87Å; F361-A466 HydrophobicContact CE2-CB 3.49Å; F361-A466 VanDerWaalsContact CE2-CB 3.49Å; F361-A466 HydrophobicContact CG-CB 4.47Å; F361-A466 HydrophobicContact CZ-CB 3.4Å; F361-W467 HydrophobicContact CD1-CD2 4.04Å; F361-W467 HydrophobicContact CD1-CE3 4.08Å; F361-W467 HydrophobicContact CD1-CG 4.47Å; F361-W467 HydrophobicContact CD1-CZ3 4.34Å; F361-W467 HydrophobicContact CE1-CB 4.37Å; F361-W467 AromaticContact CE1-CD1 3.81Å; F361-W467 AromaticContact CE1-CD2 3.57Å; F361-W467 HydrophobicContact CE1-CD2 3.57Å; F361-W467 AromaticContact CE1-CE2 3.64Å; F361-W467 HydrophobicContact CE1-CE3 4.09Å; F361-W467 AromaticContact CE1-CG 3.69Å; F361-W467 HydrophobicContact CE1-CG 3.69Å; F361-W467 HydrophobicContact CE1-CZ2 4.21Å; F361-W467 AromaticContact CE1-NE1 3.77Å |
| 362 | C | 88.1 | Confident | 87.8 | Confident | 10 Ų | 10 | 33.9 Ų | 33.9 | 7% | 0.068 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.8 | -44.4 | 171 | -67.7 | 0 | 0 | 0 | 0 | 111.4 | W340 Q358 A359 Q365 L366 | W340-C362 HydrophobicContact CB-CB 4.21Å; W340-C362 HydrophobicContact CD2-CB 3.63Å; W340-C362 HydrophobicContact CE3-CB 3.86Å; W340-C362 HydrophobicContact CG-CB 3.8Å; W340-C362 HydrophobicContact CZ3-CB 4.49Å; Q358-C362 PolarHBondContact O-N 3.41Å; Q358-C362 PolarHBondContact O-SG 2.94Å; Q358-C362 VanDerWaalsContact O-SG 3.34Å; A359-C362 WeakPolarHBondContact O-CB 3.42Å; A359-C362 PolarHBondContact O-N 2.94Å; C362-Q365 PolarHBondContact O-N 3.32Å; C362-L366 WeakPolarHBondContact O-CD1 3.46Å; C362-L366 WeakPolarHBondContact O-CG 3.48Å; C362-L366 PolarHBondContact O-N 3.36Å |
| 363 | A | 87.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.9 | -51.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A337 W340 C341 A359 Y360 F361 Q365 L366 D367 A373 | A337-A363 HydrophobicContact CB-CB 4.24Å; A337-A363 WeakPolarHBondContact CB-O 3.35Å; A337-A363 VanDerWaalsContact O-CB 3.23Å; A337-A363 WeakPolarHBondContact O-CB 3.37Å; W340-A363 HydrophobicContact CB-CB 3.9Å; C341-A363 HydrophobicContact CB-CB 4.21Å; A359-A363 PolarHBondContact O-N 3.2Å; A359-A363 VanDerWaalsContact O-N 3.16Å; Y360-A363 WeakPolarHBondContact O-CB 3.4Å; Y360-A363 PolarHBondContact O-N 3.19Å; F361-A363 VanDerWaalsContact C-N 3.31Å; F361-A363 PolarHBondContact O-N 2.8Å; A363-Q365 VanDerWaalsContact C-N 3.25Å; A363-Q365 PolarHBondContact O-N 3.09Å; A363-L366 PolarHBondContact O-N 2.83Å; A363-D367 PolarHBondContact O-N 3.21Å; A363-A373 HydrophobicContact CB-CB 3.72Å |
| 364 | V | 89.4 | Confident | 88 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -74.9 | -12.1 | 179.2 | -58.8 | 0 | 0 | 0 | 0 | 114.2 | Y360 F361 D367 K368 A373 W374 L377 W467 | Y360-V364 PolarHBondContact O-N 2.88Å; F361-V364 PolarHBondContact O-N 3.33Å; V364-D367 WeakPolarHBondContact CA-O 3.46Å; V364-D367 CarbonylContact O-C 3.28Å; V364-K368 WeakPolarHBondContact O-CA 3.28Å; V364-K368 WeakPolarHBondContact O-CG 3.28Å; V364-K368 PolarHBondContact O-N 3.48Å; V364-A373 HydrophobicContact CG1-CB 3.6Å; V364-W374 HydrophobicContact CB-CD2 4.36Å; V364-W374 HydrophobicContact CB-CZ2 3.98Å; V364-W374 HydrophobicContact CG1-CD2 3.79Å; V364-W374 HydrophobicContact CG1-CE3 4.41Å; V364-W374 HydrophobicContact CG1-CG 3.85Å; V364-W374 HydrophobicContact CG1-CZ2 4.32Å; V364-W374 HydrophobicContact CG2-CH2 4.2Å; V364-W374 HydrophobicContact CG2-CZ2 4.08Å; V364-L377 HydrophobicContact CG1-CD1 4.12Å; V364-L377 HydrophobicContact CG2-CD1 3.98Å; V364-W467 HydrophobicContact CG2-CH2 4.11Å; V364-W467 HydrophobicContact CG2-CZ2 4.32Å |
| 365 | Q | 87.6 | Confident | 88.2 | Confident | 107 Ų | 107 | 29.6 Ų | 29.6 | 50% | 0.5 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -82.1 | -33.1 | 170.8 | -174.1 | 167.1 | -4.4 | 0 | 0 | 112 | F361 C362 A363 W467 | F361-Q365 WeakPolarHBondContact O-CB 3.43Å; F361-Q365 PolarHBondContact O-N 3.47Å; C362-Q365 PolarHBondContact O-N 3.32Å; A363-Q365 VanDerWaalsContact C-N 3.25Å; A363-Q365 PolarHBondContact O-N 3.09Å; Q365-W467 HydrophobicContact CB-CH2 4.47Å; Q365-W467 HydrophobicContact CB-CZ3 4.03Å; Q365-W467 HydrophobicContact CG-CZ3 4.24Å |
| 366 | L | 84 | Confident | 88.4 | Confident | 97 Ų | 97 | 30.7 Ų | 30.7 | 51% | 0.508 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -72.7 | -57.2 | 172.8 | -72.2 | 160.8 | 0 | 0 | 0 | 111.1 | A335 A337 W340 C362 A363 | A335-L366 WeakPolarHBondContact O-CD1 3.34Å; A337-L366 HydrophobicContact CB-CB 4.13Å; W340-L366 HydrophobicContact CG-CD1 4.29Å; C362-L366 WeakPolarHBondContact O-CD1 3.46Å; C362-L366 WeakPolarHBondContact O-CG 3.48Å; C362-L366 PolarHBondContact O-N 3.36Å; A363-L366 PolarHBondContact O-N 2.83Å |
| 367 | D | 82.8 | Confident | 88.5 | Confident | 61 Ų | 61 | 30.7 Ų | 30.7 | 33% | 0.326 | 16% | 0.158 | S | C | . | . | trans | -121 | 113.8 | 166.9 | 178.4 | 33.8 | 0 | 0 | 0 | 112.5 | A337 A363 V364 C369 H370 | A337-D367 HydrophobicContact CB-CB 4.37Å; A363-D367 PolarHBondContact O-N 3.21Å; V364-D367 WeakPolarHBondContact CA-O 3.46Å; V364-D367 CarbonylContact O-C 3.28Å; D367-C369 VanDerWaalsContact CG-N 3.3Å; D367-C369 PolarHBondContact O-N 3.31Å; D367-C369 VanDerWaalsContact OD1-CB 3.31Å; D367-C369 WeakPolarHBondContact OD1-CB 3.37Å; D367-C369 PolarHBondContact OD1-N 2.57Å; D367-C369 PolarHBondContact OD1-SG 2.83Å; D367-C369 WeakPolarHBondContact OD2-CA 3.06Å; D367-C369 WeakPolarHBondContact OD2-CB 3.26Å; D367-C369 PolarHBondContact OD2-N 2.97Å; D367-H370 HydrophobicContact CB-CB 4.27Å; D367-H370 VanDerWaalsContact O-CB 3.27Å; D367-H370 WeakPolarHBondContact O-CB 3.2Å; D367-H370 PolarHBondContact O-N 2.95Å; D367-H370 PolarHBondContact OD2-N 2.93Å | ||
| 368 | K | 87 | Confident | 88.5 | Confident | 147 Ų | 147 | 30.6 Ų | 30.6 | 64% | 0.639 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -17 | 176.1 | -66 | 171.5 | -176.7 | 172.6 | 0 | 112.9 | V364 W374 | V364-K368 WeakPolarHBondContact O-CA 3.28Å; V364-K368 WeakPolarHBondContact O-CG 3.28Å; V364-K368 PolarHBondContact O-N 3.48Å; K368-W374 PolarHBondContact O-NE1 2.86Å |
| 369 | C | 85.1 | Confident | 88.6 | Confident | 38 Ų | 38 | 31.9 Ų | 31.9 | 26% | 0.257 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 2.4 | 178.2 | -39.8 | 0 | 0 | 0 | 0 | 112.8 | D367 V371 K402 | D367-C369 VanDerWaalsContact CG-N 3.3Å; D367-C369 PolarHBondContact O-N 3.31Å; D367-C369 VanDerWaalsContact OD1-CB 3.31Å; D367-C369 WeakPolarHBondContact OD1-CB 3.37Å; D367-C369 PolarHBondContact OD1-N 2.57Å; D367-C369 PolarHBondContact OD1-SG 2.83Å; D367-C369 WeakPolarHBondContact OD2-CA 3.06Å; D367-C369 WeakPolarHBondContact OD2-CB 3.26Å; D367-C369 PolarHBondContact OD2-N 2.97Å; C369-V371 PolarHBondContact O-N 3.33Å; C369-K402 PolarHBondContact SG-NZ 3.34Å |
| 370 | H | 85.4 | Confident | 88.8 | Confident | 27 Ų | 27 | 32 Ų | 32 | 13% | 0.125 | 17% | 0.168 | C | C | . | . | trans | -73 | 92.2 | -173.4 | -159.9 | -60.4 | 0 | 0 | 0 | 111.8 | A337 D338 D367 A372 A373 W374 | A337-H370 VanDerWaalsContact CB-CD2 3.44Å; A337-H370 WeakPolarHBondContact CB-CD2 3.13Å; D338-H370 VanDerWaalsContact CA-NE2 3.34Å; D338-H370 WeakPolarHBondContact CA-NE2 3.49Å; D338-H370 WeakPolarHBondContact CB-NE2 3.45Å; D338-H370 PolarHBondContact N-NE2 3.09Å; D338-H370 IonicContact OD1-CD2 2.63Å; D338-H370 IonicContact OD1-CE1 2.61Å; D338-H370 PolarHBondContact OD1-CE1 3.33Å; D338-H370 VanDerWaalsContact OD1-CE1 3.32Å; D338-H370 CovalentContact OD1-NE2 1.8Å; D338-H370 IonicContact OD1-NE2 3.15Å; D338-H370 PolarHBondContact OD1-NE2 2.84Å; D338-H370 IonicContact OD2-NE2 2.69Å; D338-H370 PolarHBondContact OD2-NE2 3.02Å; D367-H370 HydrophobicContact CB-CB 4.27Å; D367-H370 VanDerWaalsContact O-CB 3.27Å; D367-H370 WeakPolarHBondContact O-CB 3.2Å; D367-H370 PolarHBondContact O-N 2.95Å; D367-H370 PolarHBondContact OD2-N 2.93Å; H370-A372 VanDerWaalsContact C-N 3.32Å; H370-A372 WeakPolarHBondContact CE1-CB 3.29Å; H370-A372 PolarHBondContact O-N 3.28Å; H370-A373 HydrophobicContact CB-CB 4.13Å; H370-A373 WeakPolarHBondContact ND1-CB 3.39Å; H370-A373 PolarHBondContact ND1-N 2.92Å; H370-A373 PolarHBondContact O-N 3Å; H370-W374 PolarHBondContact O-N 3.19Å; H370-W374 VanDerWaalsContact O-N 3.16Å | ||
| 371 | V | 86.2 | Confident | 88.8 | Confident | 27 Ų | 27 | 31.9 Ų | 31.9 | 16% | 0.164 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.6 | -43.5 | -174.4 | 174.9 | 0 | 0 | 0 | 0 | 112 | C369 W374 A375 A400 D401 V406 | C369-V371 PolarHBondContact O-N 3.33Å; V371-W374 PolarHBondContact O-N 3.24Å; V371-A375 WeakPolarHBondContact O-CB 3.49Å; V371-A375 PolarHBondContact O-N 3.15Å; V371-A400 HydrophobicContact CG2-CB 4.18Å; V371-D401 HydrophobicContact CG2-CB 4.35Å; V371-V406 HydrophobicContact CG1-CG2 3.54Å; V371-V406 HydrophobicContact CG2-CG2 4.32Å |
| 372 | A | 87 | Confident | 88.8 | Confident | 23 Ų | 23 | 32.5 Ų | 32.5 | 19% | 0.19 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.6 | -41.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | H370 W374 A375 N376 | H370-A372 VanDerWaalsContact C-N 3.32Å; H370-A372 WeakPolarHBondContact CE1-CB 3.29Å; H370-A372 PolarHBondContact O-N 3.28Å; A372-W374 PolarHBondContact O-N 2.99Å; A372-A375 PolarHBondContact O-N 3.5Å; A372-N376 WeakPolarHBondContact O-CB 3.29Å; A372-N376 VanDerWaalsContact O-CG 3.27Å; A372-N376 PolarHBondContact O-N 2.83Å |
| 373 | A | 89.7 | Confident | 88.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C341 A363 V364 H370 N376 L377 | C341-A373 HydrophobicContact CB-CB 4.31Å; A363-A373 HydrophobicContact CB-CB 3.72Å; V364-A373 HydrophobicContact CG1-CB 3.6Å; H370-A373 HydrophobicContact CB-CB 4.13Å; H370-A373 WeakPolarHBondContact ND1-CB 3.39Å; H370-A373 PolarHBondContact ND1-N 2.92Å; H370-A373 PolarHBondContact O-N 3Å; A373-N376 PolarHBondContact O-N 2.86Å; A373-L377 WeakPolarHBondContact O-CB 3.12Å; A373-L377 PolarHBondContact O-N 3.01Å |
| 374 | W | 92.1 | Very high | 89 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.2 | -38.3 | 172.6 | -80.5 | 118.3 | 0 | 0 | 0 | 113.4 | V364 K368 H370 V371 A372 L377 G378 C393 N396 A397 W467 | V364-W374 HydrophobicContact CB-CD2 4.36Å; V364-W374 HydrophobicContact CB-CZ2 3.98Å; V364-W374 HydrophobicContact CG1-CD2 3.79Å; V364-W374 HydrophobicContact CG1-CE3 4.41Å; V364-W374 HydrophobicContact CG1-CG 3.85Å; V364-W374 HydrophobicContact CG1-CZ2 4.32Å; V364-W374 HydrophobicContact CG2-CH2 4.2Å; V364-W374 HydrophobicContact CG2-CZ2 4.08Å; K368-W374 PolarHBondContact O-NE1 2.86Å; H370-W374 PolarHBondContact O-N 3.19Å; H370-W374 VanDerWaalsContact O-N 3.16Å; V371-W374 PolarHBondContact O-N 3.24Å; A372-W374 PolarHBondContact O-N 2.99Å; W374-L377 HydrophobicContact CE3-CD1 4.15Å; W374-L377 HydrophobicContact CZ3-CD1 4.33Å; W374-L377 WeakPolarHBondContact O-CB 3.4Å; W374-G378 PolarHBondContact O-N 3.06Å; W374-G378 VanDerWaalsContact O-N 3.09Å; W374-C393 HydrophobicContact CE3-CB 4.27Å; W374-N396 HydrophobicContact CD2-CB 3.5Å; W374-N396 HydrophobicContact CE3-CB 3.63Å; W374-N396 HydrophobicContact CG-CB 4.01Å; W374-N396 HydrophobicContact CH2-CB 4.21Å; W374-N396 WeakPolarHBondContact CH2-ND2 3.44Å; W374-N396 HydrophobicContact CZ2-CB 4.07Å; W374-N396 HydrophobicContact CZ3-CB 4Å; W374-N396 WeakPolarHBondContact CZ3-ND2 3.21Å; W374-A397 HydrophobicContact CB-CB 3.7Å; W374-W467 AromaticContact CH2-CZ2 3.97Å; W374-W467 HydrophobicContact CH2-CZ2 3.97Å; W374-W467 HydrophobicContact CZ2-CZ2 4.27Å |
| 375 | A | 90.8 | Very high | 89 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.3 | -44.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V371 A372 G378 T379 Y394 I410 | V371-A375 WeakPolarHBondContact O-CB 3.49Å; V371-A375 PolarHBondContact O-N 3.15Å; A372-A375 PolarHBondContact O-N 3.5Å; A375-G378 WeakPolarHBondContact O-CA 3.48Å; A375-G378 PolarHBondContact O-N 2.73Å; A375-T379 PolarHBondContact O-N 2.87Å; A375-T379 PolarHBondContact O-OG1 3.49Å; A375-Y394 VanDerWaalsContact O-CE1 3.28Å; A375-Y394 WeakPolarHBondContact O-CE1 3.19Å; A375-I410 HydrophobicContact CB-CD1 3.66Å; A375-I410 HydrophobicContact CB-CG1 4.31Å |
| 376 | N | 92 | Very high | 89.1 | Confident | 37 Ų | 37 | 41.2 Ų | 41.2 | 20% | 0.198 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.1 | -37.6 | 177.8 | -69.4 | -12.6 | 0 | 0 | 0 | 111.8 | Y360 A372 A373 G378 T379 L380 | Y360-N376 HydrophobicContact CD1-CB 4.09Å; Y360-N376 HydrophobicContact CE1-CB 3.52Å; Y360-N376 HydrophobicContact CE2-CB 4.19Å; A372-N376 WeakPolarHBondContact O-CB 3.29Å; A372-N376 VanDerWaalsContact O-CG 3.27Å; A372-N376 PolarHBondContact O-N 2.83Å; A373-N376 PolarHBondContact O-N 2.86Å; N376-G378 VanDerWaalsContact C-N 3.3Å; N376-G378 PolarHBondContact O-N 2.64Å; N376-T379 PolarHBondContact O-N 2.71Å; N376-L380 WeakPolarHBondContact O-CB 3.43Å; N376-L380 PolarHBondContact O-N 2.68Å |
| 377 | L | 92.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55 | -43.3 | 166.5 | -101.4 | 158.4 | 0 | 0 | 0 | 112.6 | L357 Y360 F361 V364 A373 W374 L380 Y381 C393 | L357-L377 HydrophobicContact CD1-CD2 3.57Å; Y360-L377 HydrophobicContact CD2-CG 4.38Å; Y360-L377 HydrophobicContact CG-CG 4.33Å; F361-L377 HydrophobicContact CD2-CD1 4.26Å; F361-L377 HydrophobicContact CD2-CD2 3.82Å; F361-L377 HydrophobicContact CE2-CD1 4.33Å; F361-L377 HydrophobicContact CE2-CD2 3.57Å; V364-L377 HydrophobicContact CG1-CD1 4.12Å; V364-L377 HydrophobicContact CG2-CD1 3.98Å; A373-L377 WeakPolarHBondContact O-CB 3.12Å; A373-L377 PolarHBondContact O-N 3.01Å; W374-L377 HydrophobicContact CE3-CD1 4.15Å; W374-L377 HydrophobicContact CZ3-CD1 4.33Å; W374-L377 WeakPolarHBondContact O-CB 3.4Å; L377-L380 PolarHBondContact O-N 3.21Å; L377-Y381 HydrophobicContact CD2-CD2 4.28Å; L377-Y381 HydrophobicContact CD2-CE2 3.85Å; L377-Y381 VanDerWaalsContact O-CD2 3.27Å; L377-Y381 WeakPolarHBondContact O-CD2 3.18Å; L377-Y381 PolarHBondContact O-N 3.49Å; L377-Y381 VanDerWaalsContact O-N 3.07Å; L377-C393 HydrophobicContact CB-CB 4.05Å |
| 378 | G | 91.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.4 | -48.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W374 A375 N376 L380 Y381 E382 A390 | W374-G378 PolarHBondContact O-N 3.06Å; W374-G378 VanDerWaalsContact O-N 3.09Å; A375-G378 WeakPolarHBondContact O-CA 3.48Å; A375-G378 PolarHBondContact O-N 2.73Å; N376-G378 VanDerWaalsContact C-N 3.3Å; N376-G378 PolarHBondContact O-N 2.64Å; G378-L380 PolarHBondContact O-N 2.99Å; G378-Y381 PolarHBondContact O-N 3.39Å; G378-E382 WeakPolarHBondContact O-CB 3.47Å; G378-E382 PolarHBondContact O-N 2.72Å; G378-A390 WeakPolarHBondContact O-CB 3.48Å |
| 379 | T | 92 | Very high | 89.9 | Confident | 61 Ų | 61 | 35.8 Ų | 35.8 | 37% | 0.374 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.1 | -37.3 | -179.9 | -54 | 0 | 0 | 0 | 0 | 112.3 | A375 N376 E382 S383 Y394 | A375-T379 PolarHBondContact O-N 2.87Å; A375-T379 PolarHBondContact O-OG1 3.49Å; N376-T379 PolarHBondContact O-N 2.71Å; T379-E382 PolarHBondContact O-N 3.42Å; T379-S383 PolarHBondContact O-N 3.44Å; T379-Y394 VanDerWaalsContact CA-OH 3.3Å; T379-Y394 WeakPolarHBondContact CA-OH 3.23Å; T379-Y394 PolarHBondContact N-OH 2.97Å; T379-Y394 VanDerWaalsContact N-OH 3.08Å; T379-Y394 PolarHBondContact OG1-OH 3Å |
| 380 | L | 92.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.4 | -48.4 | 174.7 | 179.8 | 64 | 0 | 0 | 0 | 111.4 | Q348 P353 A356 L357 Y360 N376 L377 G378 E382 S383 M384 L460 | Q348-L380 HydrophobicContact CG-CD1 4.11Å; P353-L380 HydrophobicContact CB-CD1 3.84Å; A356-L380 HydrophobicContact CB-CD1 4.45Å; A356-L380 HydrophobicContact CB-CD2 4.18Å; L357-L380 HydrophobicContact CB-CD2 3.83Å; L357-L380 HydrophobicContact CD1-CD2 3.99Å; Y360-L380 HydrophobicContact CD2-CD2 3.84Å; Y360-L380 HydrophobicContact CE2-CB 4.19Å; Y360-L380 HydrophobicContact CE2-CD2 3.91Å; N376-L380 WeakPolarHBondContact O-CB 3.43Å; N376-L380 PolarHBondContact O-N 2.68Å; L377-L380 PolarHBondContact O-N 3.21Å; G378-L380 PolarHBondContact O-N 2.99Å; L380-E382 VanDerWaalsContact C-N 3.31Å; L380-E382 PolarHBondContact O-N 2.94Å; L380-S383 PolarHBondContact O-N 3.07Å; L380-S383 PolarHBondContact O-OG 3.39Å; L380-M384 WeakPolarHBondContact O-CG 3.24Å; L380-M384 PolarHBondContact O-N 3.44Å; L380-L460 HydrophobicContact CD1-CD1 4.42Å; L380-L460 HydrophobicContact CD2-CD1 4.21Å; L380-L460 HydrophobicContact CG-CD1 3.97Å |
| 381 | Y | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.5 | -35.6 | 175.5 | -83.4 | -63.5 | 0 | 0 | 0 | 112.7 | L357 L377 G378 M384 Q385 Q386 E389 L460 P461 V463 | L357-Y381 HydrophobicContact CD1-CE2 3.82Å; L377-Y381 HydrophobicContact CD2-CD2 4.28Å; L377-Y381 HydrophobicContact CD2-CE2 3.85Å; L377-Y381 VanDerWaalsContact O-CD2 3.27Å; L377-Y381 WeakPolarHBondContact O-CD2 3.18Å; L377-Y381 PolarHBondContact O-N 3.49Å; L377-Y381 VanDerWaalsContact O-N 3.07Å; G378-Y381 PolarHBondContact O-N 3.39Å; Y381-M384 CarbonylContact O-C 3.59Å; Y381-M384 PolarHBondContact O-N 3.03Å; Y381-Q385 PolarHBondContact O-N 2.93Å; Y381-Q386 HydrophobicContact CD1-CB 3.92Å; Y381-Q386 HydrophobicContact CD1-CG 4.41Å; Y381-Q386 PolarHBondContact O-N 3.41Å; Y381-E389 HydrophobicContact CD1-CB 3.74Å; Y381-E389 HydrophobicContact CD1-CG 4.5Å; Y381-E389 HydrophobicContact CD2-CB 4.15Å; Y381-E389 HydrophobicContact CE1-CB 3.99Å; Y381-E389 HydrophobicContact CE1-CG 4.44Å; Y381-E389 HydrophobicContact CE2-CB 4.39Å; Y381-E389 HydrophobicContact CG-CB 3.83Å; Y381-L460 HydrophobicContact CD1-CD1 4.47Å; Y381-L460 HydrophobicContact CE1-CB 4.11Å; Y381-L460 HydrophobicContact CE1-CD1 4.44Å; Y381-P461 WeakPolarHBondContact CE1-O 3.49Å; Y381-P461 PolarHBondContact OH-O 2.83Å; Y381-V463 HydrophobicContact CD2-CG2 4.28Å; Y381-V463 HydrophobicContact CE2-CG2 3.57Å; Y381-V463 PolarHBondContact OH-N 2.93Å |
| 382 | E | 89.8 | Confident | 90.8 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 13% | 0.126 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.8 | -41.2 | 176.9 | 178 | 136.3 | -116.9 | 0 | 0 | 112.4 | G378 T379 L380 M384 Q385 Y387 A390 R413 | G378-E382 WeakPolarHBondContact O-CB 3.47Å; G378-E382 PolarHBondContact O-N 2.72Å; T379-E382 PolarHBondContact O-N 3.42Å; L380-E382 VanDerWaalsContact C-N 3.31Å; L380-E382 PolarHBondContact O-N 2.94Å; E382-M384 PolarHBondContact O-N 3.41Å; E382-Q385 WeakPolarHBondContact O-CA 3.28Å; E382-Q385 PolarHBondContact O-N 2.87Å; E382-Y387 HydrophobicContact CG-CD1 4.4Å; E382-Y387 HydrophobicContact CG-CE1 4.16Å; E382-Y387 WeakPolarHBondContact OE1-CD1 3.43Å; E382-Y387 WeakPolarHBondContact OE1-CE1 3.45Å; E382-A390 HydrophobicContact CB-CB 4.1Å; E382-R413 IonicContact OE1-CZ 3.66Å; E382-R413 IonicContact OE1-NE 3.12Å; E382-R413 IonicContact OE1-NH2 2.62Å; E382-R413 PolarHBondContact OE1-NH2 3.24Å; E382-R413 IonicContact OE2-CZ 2.83Å; E382-R413 IonicContact OE2-NE 2.67Å; E382-R413 PolarHBondContact OE2-NE 3.07Å; E382-R413 IonicContact OE2-NH2 2.69Å; E382-R413 PolarHBondContact OE2-NH2 2.98Å |
| 383 | S | 89.9 | Confident | 91 | Very high | 63 Ų | 63 | 34.6 Ų | 34.6 | 44% | 0.441 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.9 | -31.9 | 174.2 | 71.3 | 0 | 0 | 0 | 0 | 112.3 | T379 L380 Q385 | T379-S383 PolarHBondContact O-N 3.44Å; L380-S383 PolarHBondContact O-N 3.07Å; L380-S383 PolarHBondContact O-OG 3.39Å; S383-Q385 PolarHBondContact O-N 2.93Å |
| 384 | M | 90.2 | Very high | 91.2 | Very high | 71 Ų | 71 | 35.2 Ų | 35.2 | 35% | 0.35 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 13.6 | 171.8 | -59 | -65.7 | 105.1 | 0 | 0 | 113.7 | P353 L380 Y381 E382 Q386 L460 | P353-M384 HydrophobicContact CB-CE 4.47Å; P353-M384 HydrophobicContact CB-CG 4.47Å; P353-M384 HydrophobicContact CB-SD 4.09Å; P353-M384 HydrophobicContact CG-SD 4.12Å; L380-M384 WeakPolarHBondContact O-CG 3.24Å; L380-M384 PolarHBondContact O-N 3.44Å; Y381-M384 CarbonylContact O-C 3.59Å; Y381-M384 PolarHBondContact O-N 3.03Å; E382-M384 PolarHBondContact O-N 3.41Å; M384-Q386 HydrophobicContact CB-CG 4.4Å; M384-Q386 WeakPolarHBondContact O-CG 3.22Å; M384-Q386 PolarHBondContact O-N 2.94Å; M384-Q386 VanDerWaalsContact O-N 3.15Å; M384-L460 HydrophobicContact CB-CD1 4.42Å; M384-L460 HydrophobicContact CG-CD1 3.75Å; M384-L460 HydrophobicContact CG-CG 4.03Å |
| 385 | Q | 89.1 | Confident | 91.1 | Very high | 146 Ų | 146 | 39.1 Ų | 39.1 | 68% | 0.682 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 20.4 | 178 | -52.6 | -177.9 | 16.5 | 0 | 0 | 115.2 | Y381 E382 S383 Y387 | Y381-Q385 PolarHBondContact O-N 2.93Å; E382-Q385 WeakPolarHBondContact O-CA 3.28Å; E382-Q385 PolarHBondContact O-N 2.87Å; S383-Q385 PolarHBondContact O-N 2.93Å; Q385-Y387 VanDerWaalsContact C-N 3.34Å; Q385-Y387 HydrophobicContact CB-CE2 4.02Å; Q385-Y387 VanDerWaalsContact O-CD2 3.24Å; Q385-Y387 WeakPolarHBondContact O-CD2 3.22Å; Q385-Y387 WeakPolarHBondContact O-CE2 3.47Å; Q385-Y387 PolarHBondContact O-N 2.96Å |
| 386 | Q | 89.6 | Confident | 91.1 | Very high | 20 Ų | 20 | 41.3 Ų | 41.3 | 9% | 0.093 | 20% | 0.202 | C | C | . | . | trans | -93 | 58.5 | -179.1 | -57.3 | -154.8 | 50.9 | 0 | 0 | 112.1 | Y381 M384 K388 E389 A390 L460 | Y381-Q386 HydrophobicContact CD1-CB 3.92Å; Y381-Q386 HydrophobicContact CD1-CG 4.41Å; Y381-Q386 PolarHBondContact O-N 3.41Å; M384-Q386 HydrophobicContact CB-CG 4.4Å; M384-Q386 WeakPolarHBondContact O-CG 3.22Å; M384-Q386 PolarHBondContact O-N 2.94Å; M384-Q386 VanDerWaalsContact O-N 3.15Å; Q386-K388 PolarHBondContact O-N 3.17Å; Q386-E389 HydrophobicContact CB-CB 4.33Å; Q386-E389 HydrophobicContact CB-CG 4.5Å; Q386-E389 PolarHBondContact O-N 2.97Å; Q386-A390 PolarHBondContact O-N 2.89Å; Q386-L460 PolarHBondContact NE2-O 3.45Å | ||
| 387 | Y | 90.7 | Very high | 90.9 | Very high | 78 Ų | 78 | 39.6 Ų | 39.6 | 31% | 0.306 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -53.8 | -30.2 | -172.7 | -52 | -70.5 | 0 | 0 | 0 | 114.8 | E382 Q385 L391 L417 L424 | E382-Y387 HydrophobicContact CG-CD1 4.4Å; E382-Y387 HydrophobicContact CG-CE1 4.16Å; E382-Y387 WeakPolarHBondContact OE1-CD1 3.43Å; E382-Y387 WeakPolarHBondContact OE1-CE1 3.45Å; Q385-Y387 VanDerWaalsContact C-N 3.34Å; Q385-Y387 HydrophobicContact CB-CE2 4.02Å; Q385-Y387 VanDerWaalsContact O-CD2 3.24Å; Q385-Y387 WeakPolarHBondContact O-CD2 3.22Å; Q385-Y387 WeakPolarHBondContact O-CE2 3.47Å; Q385-Y387 PolarHBondContact O-N 2.96Å; Y387-L391 VanDerWaalsContact O-CB 3.22Å; Y387-L391 WeakPolarHBondContact O-CB 3.29Å; Y387-L391 PolarHBondContact O-N 3.45Å; Y387-L417 HydrophobicContact CD1-CD2 3.95Å; Y387-L417 HydrophobicContact CG-CD2 4.42Å; Y387-L424 HydrophobicContact CD2-CD1 3.72Å; Y387-L424 HydrophobicContact CE2-CD1 4.44Å; Y387-L424 HydrophobicContact CG-CD1 4.11Å |
| 388 | K | 89.6 | Confident | 90.6 | Very high | 94 Ų | 94 | 41.6 Ų | 41.6 | 41% | 0.409 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.6 | -38.1 | 174.3 | -75.7 | 176.3 | 174.4 | 175.6 | 0 | 113.2 | Q386 V421 D426 | Q386-K388 PolarHBondContact O-N 3.17Å; K388-V421 HydrophobicContact CG-CG1 3.69Å; K388-D426 IonicContact NZ-OD1 2.75Å; K388-D426 PolarHBondContact NZ-OD1 3.44Å; K388-D426 IonicContact NZ-OD2 2.74Å; K388-D426 PolarHBondContact NZ-OD2 3.13Å |
| 389 | E | 91.1 | Very high | 90.3 | Very high | 18 Ų | 18 | 47.8 Ų | 47.8 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -83.9 | -40.5 | -179.4 | -60 | -53.2 | 111 | 0 | 0 | 110.8 | Y381 Q386 L391 K392 C393 T462 V463 | Y381-E389 HydrophobicContact CD1-CB 3.74Å; Y381-E389 HydrophobicContact CD1-CG 4.5Å; Y381-E389 HydrophobicContact CD2-CB 4.15Å; Y381-E389 HydrophobicContact CE1-CB 3.99Å; Y381-E389 HydrophobicContact CE1-CG 4.44Å; Y381-E389 HydrophobicContact CE2-CB 4.39Å; Y381-E389 HydrophobicContact CG-CB 3.83Å; Q386-E389 HydrophobicContact CB-CB 4.33Å; Q386-E389 HydrophobicContact CB-CG 4.5Å; Q386-E389 PolarHBondContact O-N 2.97Å; E389-L391 PolarHBondContact O-N 3.18Å; E389-K392 WeakPolarHBondContact O-CB 3.35Å; E389-K392 PolarHBondContact O-N 2.73Å; E389-K392 VanDerWaalsContact OE1-CE 3.23Å; E389-K392 WeakPolarHBondContact OE1-CE 3.44Å; E389-K392 IonicContact OE1-NZ 3.17Å; E389-K392 PolarHBondContact OE1-NZ 2.88Å; E389-K392 WeakPolarHBondContact OE2-CE 3.41Å; E389-K392 IonicContact OE2-NZ 3.57Å; E389-K392 PolarHBondContact OE2-NZ 3.11Å; E389-C393 PolarHBondContact O-N 3.35Å; E389-C393 VanDerWaalsContact O-N 3.13Å; E389-C393 PolarHBondContact O-SG 3.3Å; E389-T462 HydrophobicContact CG-CG2 4.28Å; E389-T462 WeakPolarHBondContact OE2-CB 3.41Å; E389-V463 HydrophobicContact CB-CG2 4.14Å; E389-V463 WeakPolarHBondContact OE2-CB 3.14Å; E389-V463 WeakPolarHBondContact OE2-CG2 3.3Å; E389-V463 PolarHBondContact OE2-N 3.32Å |
| 390 | A | 91.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.4 | -40.5 | 170 | 0 | 0 | 0 | 0 | 0 | 112 | G378 E382 Q386 K392 C393 Y394 | G378-A390 WeakPolarHBondContact O-CB 3.48Å; E382-A390 HydrophobicContact CB-CB 4.1Å; Q386-A390 PolarHBondContact O-N 2.89Å; A390-K392 VanDerWaalsContact C-N 3.33Å; A390-K392 PolarHBondContact O-N 3.37Å; A390-C393 PolarHBondContact O-N 3.07Å; A390-Y394 HydrophobicContact CB-CE2 4.35Å; A390-Y394 VanDerWaalsContact O-CD2 3.24Å; A390-Y394 WeakPolarHBondContact O-CD2 3.3Å; A390-Y394 PolarHBondContact O-N 3.28Å |
| 391 | L | 91.8 | Very high | 88.8 | Confident | 24 Ų | 24 | 46.9 Ų | 46.9 | 13% | 0.126 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.5 | -32.9 | 174.7 | 177 | 61.6 | 0 | 0 | 0 | 113.4 | Y387 E389 K395 L414 L417 Q418 V421 | Y387-L391 VanDerWaalsContact O-CB 3.22Å; Y387-L391 WeakPolarHBondContact O-CB 3.29Å; Y387-L391 PolarHBondContact O-N 3.45Å; E389-L391 PolarHBondContact O-N 3.18Å; L391-K395 WeakPolarHBondContact O-CB 3.46Å; L391-K395 VanDerWaalsContact O-CG 3.32Å; L391-K395 WeakPolarHBondContact O-CG 3.43Å; L391-K395 PolarHBondContact O-N 2.67Å; L391-L414 HydrophobicContact CD1-CD1 3.6Å; L391-L417 HydrophobicContact CD1-CB 4.18Å; L391-Q418 HydrophobicContact CD1-CG 3.68Å; L391-V421 HydrophobicContact CB-CG2 4.41Å; L391-V421 HydrophobicContact CD2-CB 3.94Å; L391-V421 HydrophobicContact CD2-CG1 4Å; L391-V421 HydrophobicContact CD2-CG2 4.03Å |
| 392 | K | 91.6 | Very high | 87.6 | Confident | 66 Ų | 66 | 54.2 Ų | 54.2 | 29% | 0.287 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.5 | -49.3 | 171.7 | -64.7 | 174.2 | -173.9 | 168.8 | 0 | 110.2 | E389 A390 Y394 K395 N396 V463 D464 | E389-K392 WeakPolarHBondContact O-CB 3.35Å; E389-K392 PolarHBondContact O-N 2.73Å; E389-K392 VanDerWaalsContact OE1-CE 3.23Å; E389-K392 WeakPolarHBondContact OE1-CE 3.44Å; E389-K392 IonicContact OE1-NZ 3.17Å; E389-K392 PolarHBondContact OE1-NZ 2.88Å; E389-K392 WeakPolarHBondContact OE2-CE 3.41Å; E389-K392 IonicContact OE2-NZ 3.57Å; E389-K392 PolarHBondContact OE2-NZ 3.11Å; A390-K392 VanDerWaalsContact C-N 3.33Å; A390-K392 PolarHBondContact O-N 3.37Å; K392-Y394 PolarHBondContact O-N 3.46Å; K392-K395 WeakPolarHBondContact O-CB 3.33Å; K392-K395 PolarHBondContact O-N 3.25Å; K392-N396 PolarHBondContact O-N 3.42Å; K392-V463 HydrophobicContact CB-CG2 4.44Å; K392-V463 HydrophobicContact CD-CB 4.07Å; K392-V463 HydrophobicContact CD-CG2 4.18Å; K392-D464 IonicContact NZ-OD2 3.18Å; K392-D464 PolarHBondContact NZ-OD2 3.07Å |
| 393 | C | 91.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | -177 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | W374 L377 E389 A390 K395 N396 A397 | W374-C393 HydrophobicContact CE3-CB 4.27Å; L377-C393 HydrophobicContact CB-CB 4.05Å; E389-C393 PolarHBondContact O-N 3.35Å; E389-C393 VanDerWaalsContact O-N 3.13Å; E389-C393 PolarHBondContact O-SG 3.3Å; A390-C393 PolarHBondContact O-N 3.07Å; C393-K395 PolarHBondContact O-N 3.4Å; C393-N396 PolarHBondContact O-N 3.15Å; C393-N396 VanDerWaalsContact O-N 3.13Å; C393-A397 PolarHBondContact O-N 3.12Å |
| 394 | Y | 92.7 | Very high | 84.6 | Confident | 13 Ų | 13 | 60.7 Ų | 60.7 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.2 | -29.5 | 175.8 | -67 | -52.4 | 0 | 0 | 0 | 113.6 | A375 T379 A390 K392 V398 I410 R413 L417 | A375-Y394 VanDerWaalsContact O-CE1 3.28Å; A375-Y394 WeakPolarHBondContact O-CE1 3.19Å; T379-Y394 VanDerWaalsContact CA-OH 3.3Å; T379-Y394 WeakPolarHBondContact CA-OH 3.23Å; T379-Y394 PolarHBondContact N-OH 2.97Å; T379-Y394 VanDerWaalsContact N-OH 3.08Å; T379-Y394 PolarHBondContact OG1-OH 3Å; A390-Y394 HydrophobicContact CB-CE2 4.35Å; A390-Y394 VanDerWaalsContact O-CD2 3.24Å; A390-Y394 WeakPolarHBondContact O-CD2 3.3Å; A390-Y394 PolarHBondContact O-N 3.28Å; K392-Y394 PolarHBondContact O-N 3.46Å; Y394-V398 PolarHBondContact O-N 2.89Å; Y394-I410 HydrophobicContact CD1-CG2 4.01Å; Y394-R413 HydrophobicContact CE2-CG 4.15Å; Y394-L417 HydrophobicContact CD2-CD1 3.53Å; Y394-L417 HydrophobicContact CE2-CD1 3.66Å |
| 395 | K | 91.1 | Very high | 83 | Confident | 95 Ų | 95 | 62.7 Ų | 62.7 | 41% | 0.413 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 168.3 | -79.8 | -175.2 | 177.4 | -174 | 0 | 111.4 | L391 K392 C393 V398 N399 L414 | L391-K395 WeakPolarHBondContact O-CB 3.46Å; L391-K395 VanDerWaalsContact O-CG 3.32Å; L391-K395 WeakPolarHBondContact O-CG 3.43Å; L391-K395 PolarHBondContact O-N 2.67Å; K392-K395 WeakPolarHBondContact O-CB 3.33Å; K392-K395 PolarHBondContact O-N 3.25Å; C393-K395 PolarHBondContact O-N 3.4Å; K395-V398 PolarHBondContact O-N 3.21Å; K395-N399 WeakPolarHBondContact O-CB 3.35Å; K395-N399 PolarHBondContact O-N 2.88Å; K395-N399 PolarHBondContact O-ND2 2.79Å; K395-L414 HydrophobicContact CG-CD1 3.74Å; K395-L414 HydrophobicContact CG-CD2 4.49Å |
| 396 | N | 90.3 | Very high | 81.8 | Confident | 54 Ų | 54 | 55.8 Ų | 55.8 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 177.3 | -69.5 | -7.8 | 0 | 0 | 0 | 111.8 | W374 K392 C393 V398 N399 A400 | W374-N396 HydrophobicContact CD2-CB 3.5Å; W374-N396 HydrophobicContact CE3-CB 3.63Å; W374-N396 HydrophobicContact CG-CB 4.01Å; W374-N396 HydrophobicContact CH2-CB 4.21Å; W374-N396 WeakPolarHBondContact CH2-ND2 3.44Å; W374-N396 HydrophobicContact CZ2-CB 4.07Å; W374-N396 HydrophobicContact CZ3-CB 4Å; W374-N396 WeakPolarHBondContact CZ3-ND2 3.21Å; K392-N396 PolarHBondContact O-N 3.42Å; C393-N396 PolarHBondContact O-N 3.15Å; C393-N396 VanDerWaalsContact O-N 3.13Å; N396-V398 VanDerWaalsContact C-N 3.29Å; N396-V398 PolarHBondContact O-N 2.89Å; N396-N399 PolarHBondContact O-N 3.45Å; N396-A400 WeakPolarHBondContact O-CB 3.41Å; N396-A400 PolarHBondContact O-N 2.85Å |
| 397 | A | 87.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.6 | -41.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | W374 C393 V406 I410 | W374-A397 HydrophobicContact CB-CB 3.7Å; C393-A397 PolarHBondContact O-N 3.12Å; A397-V406 WeakPolarHBondContact O-CG2 3.45Å; A397-I410 HydrophobicContact CB-CG2 4.44Å |
| 398 | V | 86 | Confident | 80 | Confident | 43 Ų | 43 | 60.1 Ų | 60.1 | 26% | 0.261 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -74.6 | -32.4 | 176.7 | 171.7 | 0 | 0 | 0 | 0 | 112.9 | Y394 K395 N396 V406 I410 R411 L414 | Y394-V398 PolarHBondContact O-N 2.89Å; K395-V398 PolarHBondContact O-N 3.21Å; N396-V398 VanDerWaalsContact C-N 3.29Å; N396-V398 PolarHBondContact O-N 2.89Å; V398-V406 HydrophobicContact CG2-CG1 4.08Å; V398-I410 HydrophobicContact CG2-CG2 4.47Å; V398-R411 HydrophobicContact CG2-CG 4.3Å; V398-L414 HydrophobicContact CB-CD2 4.12Å; V398-L414 HydrophobicContact CG2-CD2 3.68Å |
| 399 | N | 85 | Confident | 79.4 | Confident | 130 Ų | 130 | 61.3 Ų | 61.3 | 70% | 0.695 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -77.7 | -24.1 | 176.4 | -67.3 | -21.6 | 0 | 0 | 0 | 113.3 | K395 N396 D401 | K395-N399 WeakPolarHBondContact O-CB 3.35Å; K395-N399 PolarHBondContact O-N 2.88Å; K395-N399 PolarHBondContact O-ND2 2.79Å; N396-N399 PolarHBondContact O-N 3.45Å; N399-D401 VanDerWaalsContact C-N 3.3Å |
| 400 | A | 79.6 | Confident | 78.9 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 12% | 0.116 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73.4 | -22.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V371 N396 K402 | V371-A400 HydrophobicContact CG2-CB 4.18Å; N396-A400 WeakPolarHBondContact O-CB 3.41Å; N396-A400 PolarHBondContact O-N 2.85Å; A400-K402 PolarHBondContact O-N 3.03Å |
| 401 | D | 74.7 | Confident | 78.6 | Confident | 28 Ų | 28 | 65.4 Ų | 65.4 | 15% | 0.15 | 32% | 0.316 | C | S | . | . | trans | -73.6 | 99.3 | -173.7 | -174.4 | 7.3 | 0 | 0 | 0 | 113.3 | V371 N399 H403 N404 E405 V406 R411 | V371-D401 HydrophobicContact CG2-CB 4.35Å; N399-D401 VanDerWaalsContact C-N 3.3Å; D401-H403 PolarHBondContact OD1-N 3.13Å; D401-N404 VanDerWaalsContact OD1-CA 3.27Å; D401-N404 WeakPolarHBondContact OD1-CA 3.34Å; D401-N404 PolarHBondContact OD1-N 2.98Å; D401-N404 VanDerWaalsContact OD2-CA 3.22Å; D401-N404 WeakPolarHBondContact OD2-CA 3.48Å; D401-E405 PolarHBondContact OD1-N 2.82Å; D401-E405 PolarHBondContact OD2-N 2.94Å; D401-E405 VanDerWaalsContact OD2-N 3.14Å; D401-V406 HydrophobicContact CB-CG2 3.47Å; D401-V406 VanDerWaalsContact CB-CG2 3.47Å; D401-V406 WeakPolarHBondContact OD2-CB 3.47Å; D401-V406 VanDerWaalsContact OD2-CG2 3.22Å; D401-V406 WeakPolarHBondContact OD2-CG2 3.22Å; D401-V406 PolarHBondContact OD2-N 2.9Å; D401-R411 IonicContact OD2-CZ 3.78Å; D401-R411 IonicContact OD2-NH2 2.75Å; D401-R411 PolarHBondContact OD2-NH2 2.98Å | ||
| 402 | K | 66.8 | Low | 78.2 | Confident | 154 Ų | 154 | 67.5 Ų | 67.5 | 67% | 0.67 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -84.6 | -18.7 | 176.1 | -62.9 | 169.3 | -168.1 | 160.3 | 0 | 113.5 | C369 A400 | C369-K402 PolarHBondContact SG-NZ 3.34Å; A400-K402 PolarHBondContact O-N 3.03Å |
| 403 | H | 58.9 | Low | 77.9 | Confident | 144 Ų | 144 | 69 Ų | 69 | 67% | 0.667 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -114.1 | 1.4 | -168.4 | -63.9 | -71.9 | 0 | 0 | 0 | 113.6 | D401 E405 | D401-H403 PolarHBondContact OD1-N 3.13Å; H403-E405 VanDerWaalsContact C-N 3.26Å; H403-E405 HydrophobicContact CB-CG 3.83Å |
| 404 | N | 57.5 | Low | 77.8 | Confident | 83 Ų | 83 | 69.7 Ų | 69.7 | 44% | 0.444 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 69.2 | 19.9 | -176.6 | -152.4 | 32 | 0 | 0 | 0 | 113.5 | D401 R411 Q949 | D401-N404 VanDerWaalsContact OD1-CA 3.27Å; D401-N404 WeakPolarHBondContact OD1-CA 3.34Å; D401-N404 PolarHBondContact OD1-N 2.98Å; D401-N404 VanDerWaalsContact OD2-CA 3.22Å; D401-N404 WeakPolarHBondContact OD2-CA 3.48Å; N404-R411 PolarHBondContact O-NH1 3.38Å; N404-R411 PolarHBondContact O-NH2 3.4Å; N404-R411 PolarHBondContact OD1-NH2 3.41Å; N404-Q949 PolarHBondContact ND2-NE2 3.17Å |
| 405 | E | 55.4 | Low | 77.5 | Confident | 112 Ų | 112 | 71.3 Ų | 71.3 | 52% | 0.523 | 36% | 0.356 | S | S | . | . | trans | -83.5 | -6.7 | -171.4 | -70.5 | 179.7 | -170.2 | 0 | 0 | 114.7 | D401 H403 R407 | D401-E405 PolarHBondContact OD1-N 2.82Å; D401-E405 PolarHBondContact OD2-N 2.94Å; D401-E405 VanDerWaalsContact OD2-N 3.14Å; H403-E405 VanDerWaalsContact C-N 3.26Å; H403-E405 HydrophobicContact CB-CG 3.83Å; E405-R407 PolarHBondContact O-N 3.39Å | ||
| 406 | V | 65.1 | Low | 77.3 | Confident | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.012 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -56 | 118.7 | 177.3 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | V371 A397 V398 D401 I410 R411 | V371-V406 HydrophobicContact CG1-CG2 3.54Å; V371-V406 HydrophobicContact CG2-CG2 4.32Å; A397-V406 WeakPolarHBondContact O-CG2 3.45Å; V398-V406 HydrophobicContact CG2-CG1 4.08Å; D401-V406 HydrophobicContact CB-CG2 3.47Å; D401-V406 VanDerWaalsContact CB-CG2 3.47Å; D401-V406 WeakPolarHBondContact OD2-CB 3.47Å; D401-V406 VanDerWaalsContact OD2-CG2 3.22Å; D401-V406 WeakPolarHBondContact OD2-CG2 3.22Å; D401-V406 PolarHBondContact OD2-N 2.9Å; V406-I410 HydrophobicContact CG1-CB 3.56Å; V406-I410 HydrophobicContact CG1-CD1 4.1Å; V406-I410 HydrophobicContact CG1-CG1 4.42Å; V406-I410 HydrophobicContact CG1-CG2 3.6Å; V406-R411 HydrophobicContact CB-CG 4.44Å; V406-R411 HydrophobicContact CG1-CG 3.79Å; V406-R411 VanDerWaalsContact O-CZ 3.25Å; V406-R411 PolarHBondContact O-NH1 2.99Å |
| 407 | R | 67.5 | Low | 77.1 | Confident | 101 Ų | 101 | 67.3 Ų | 67.3 | 38% | 0.381 | 34% | 0.341 | S | S | . | . | trans | -43.1 | 128.8 | 177.1 | -58.2 | -172.6 | -174.5 | -168.9 | 1.4 | 110.2 | E405 E409 I410 R411 A702 G705 | E405-R407 PolarHBondContact O-N 3.39Å; R407-E409 WeakPolarHBondContact CB-OE2 3.42Å; R407-E409 PolarHBondContact O-N 2.89Å; R407-I410 HydrophobicContact CB-CD1 4.04Å; R407-I410 HydrophobicContact CB-CG1 4.32Å; R407-I410 HydrophobicContact CG-CD1 4.36Å; R407-I410 WeakPolarHBondContact O-CB 3.42Å; R407-I410 PolarHBondContact O-N 2.8Å; R407-R411 PolarHBondContact O-N 3.39Å; R407-A702 PolarHBondContact NE-O 2.8Å; R407-A702 PolarHBondContact NH2-O 3.47Å; R407-G705 PolarHBondContact NH1-O 3.28Å; R407-G705 PolarHBondContact NH2-O 3.3Å | ||
| 408 | P | 74.7 | Confident | 77.2 | Confident | 88 Ų | 88 | 71.7 Ų | 71.7 | 57% | 0.571 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -50.5 | -29.3 | -177.9 | -28.3 | 34.5 | 0 | 0 | 0 | 114.2 | R411 S412 | P408-R411 PolarHBondContact O-N 3.16Å; P408-S412 PolarHBondContact O-N 3.12Å; P408-S412 PolarHBondContact O-OG 3.48Å |
| 409 | E | 77.5 | Confident | 77.2 | Confident | 119 Ų | 119 | 75.7 Ų | 75.7 | 56% | 0.556 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.1 | -36.1 | 178.5 | -59.6 | 63.8 | -129.5 | 0 | 0 | 111.7 | R407 S412 R413 | R407-E409 WeakPolarHBondContact CB-OE2 3.42Å; R407-E409 PolarHBondContact O-N 2.89Å; E409-S412 WeakPolarHBondContact CA-OG 3.42Å; E409-S412 PolarHBondContact O-OG 3.4Å; E409-S412 VanDerWaalsContact O-OG 3.08Å; E409-R413 WeakPolarHBondContact O-CB 3.35Å; E409-R413 PolarHBondContact O-N 2.89Å |
| 410 | I | 81.1 | Confident | 77.2 | Confident | 21 Ų | 21 | 73.4 Ų | 73.4 | 11% | 0.108 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -71.2 | -41.1 | 174.1 | -63.9 | 164.5 | 0 | 0 | 0 | 109.9 | A375 Y394 A397 V398 V406 R407 R413 L414 | A375-I410 HydrophobicContact CB-CD1 3.66Å; A375-I410 HydrophobicContact CB-CG1 4.31Å; Y394-I410 HydrophobicContact CD1-CG2 4.01Å; A397-I410 HydrophobicContact CB-CG2 4.44Å; V398-I410 HydrophobicContact CG2-CG2 4.47Å; V406-I410 HydrophobicContact CG1-CB 3.56Å; V406-I410 HydrophobicContact CG1-CD1 4.1Å; V406-I410 HydrophobicContact CG1-CG1 4.42Å; V406-I410 HydrophobicContact CG1-CG2 3.6Å; R407-I410 HydrophobicContact CB-CD1 4.04Å; R407-I410 HydrophobicContact CB-CG1 4.32Å; R407-I410 HydrophobicContact CG-CD1 4.36Å; R407-I410 WeakPolarHBondContact O-CB 3.42Å; R407-I410 PolarHBondContact O-N 2.8Å; I410-R413 PolarHBondContact O-N 2.98Å; I410-L414 WeakPolarHBondContact O-CB 3.49Å; I410-L414 PolarHBondContact O-N 2.97Å |
| 411 | R | 83.5 | Confident | 77.4 | Confident | 82 Ų | 82 | 73.6 Ų | 73.6 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 177.6 | -59.9 | -165.1 | -176.9 | 111.2 | -4.7 | 111.6 | V398 D401 N404 V406 R407 P408 A415 | V398-R411 HydrophobicContact CG2-CG 4.3Å; D401-R411 IonicContact OD2-CZ 3.78Å; D401-R411 IonicContact OD2-NH2 2.75Å; D401-R411 PolarHBondContact OD2-NH2 2.98Å; N404-R411 PolarHBondContact O-NH1 3.38Å; N404-R411 PolarHBondContact O-NH2 3.4Å; N404-R411 PolarHBondContact OD1-NH2 3.41Å; V406-R411 HydrophobicContact CB-CG 4.44Å; V406-R411 HydrophobicContact CG1-CG 3.79Å; V406-R411 VanDerWaalsContact O-CZ 3.25Å; V406-R411 PolarHBondContact O-NH1 2.99Å; R407-R411 PolarHBondContact O-N 3.39Å; P408-R411 PolarHBondContact O-N 3.16Å; R411-A415 PolarHBondContact O-N 3.33Å; R411-A415 VanDerWaalsContact O-N 3.09Å |
| 412 | S | 83.3 | Confident | 77.6 | Confident | 68 Ų | 68 | 77.2 Ų | 77.2 | 48% | 0.476 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -72.1 | -41.6 | 175.3 | 70 | 0 | 0 | 0 | 0 | 112.2 | P408 E409 L414 A415 V416 | P408-S412 PolarHBondContact O-N 3.12Å; P408-S412 PolarHBondContact O-OG 3.48Å; E409-S412 WeakPolarHBondContact CA-OG 3.42Å; E409-S412 PolarHBondContact O-OG 3.4Å; E409-S412 VanDerWaalsContact O-OG 3.08Å; S412-L414 VanDerWaalsContact C-N 3.33Å; S412-L414 PolarHBondContact O-N 2.96Å; S412-A415 PolarHBondContact O-N 3.01Å; S412-V416 WeakPolarHBondContact O-CG2 3.5Å; S412-V416 PolarHBondContact O-N 3Å |
| 413 | R | 86.2 | Confident | 77.9 | Confident | 99 Ų | 99 | 77 Ų | 77 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 173.2 | -166.4 | 74 | -165.8 | 162.9 | 4.4 | 111.8 | E382 Y394 E409 I410 A415 V416 L417 | E382-R413 IonicContact OE1-CZ 3.66Å; E382-R413 IonicContact OE1-NE 3.12Å; E382-R413 IonicContact OE1-NH2 2.62Å; E382-R413 PolarHBondContact OE1-NH2 3.24Å; E382-R413 IonicContact OE2-CZ 2.83Å; E382-R413 IonicContact OE2-NE 2.67Å; E382-R413 PolarHBondContact OE2-NE 3.07Å; E382-R413 IonicContact OE2-NH2 2.69Å; E382-R413 PolarHBondContact OE2-NH2 2.98Å; Y394-R413 HydrophobicContact CE2-CG 4.15Å; E409-R413 WeakPolarHBondContact O-CB 3.35Å; E409-R413 PolarHBondContact O-N 2.89Å; I410-R413 PolarHBondContact O-N 2.98Å; R413-A415 PolarHBondContact O-N 3.36Å; R413-V416 PolarHBondContact O-N 3.08Å; R413-L417 HydrophobicContact CG-CD1 4.18Å; R413-L417 WeakPolarHBondContact O-CB 3.48Å; R413-L417 PolarHBondContact O-N 2.86Å |
| 414 | L | 88.2 | Confident | 78.3 | Confident | 14 Ų | 14 | 74 Ų | 74 | 7% | 0.073 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 173.5 | 176 | 59.1 | 0 | 0 | 0 | 111.6 | L391 K395 V398 I410 S412 L417 Q418 | L391-L414 HydrophobicContact CD1-CD1 3.6Å; K395-L414 HydrophobicContact CG-CD1 3.74Å; K395-L414 HydrophobicContact CG-CD2 4.49Å; V398-L414 HydrophobicContact CB-CD2 4.12Å; V398-L414 HydrophobicContact CG2-CD2 3.68Å; I410-L414 WeakPolarHBondContact O-CB 3.49Å; I410-L414 PolarHBondContact O-N 2.97Å; S412-L414 VanDerWaalsContact C-N 3.33Å; S412-L414 PolarHBondContact O-N 2.96Å; L414-L417 PolarHBondContact O-N 2.95Å; L414-Q418 HydrophobicContact CD1-CG 4.17Å; L414-Q418 WeakPolarHBondContact O-CB 3.26Å; L414-Q418 VanDerWaalsContact O-CG 3.25Å; L414-Q418 WeakPolarHBondContact O-CG 3.27Å; L414-Q418 PolarHBondContact O-N 3.19Å |
| 415 | A | 86.8 | Confident | 77.6 | Confident | 46 Ų | 46 | 77.4 Ų | 77.4 | 38% | 0.38 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R411 S412 R413 Q418 Q419 | R411-A415 PolarHBondContact O-N 3.33Å; R411-A415 VanDerWaalsContact O-N 3.09Å; S412-A415 PolarHBondContact O-N 3.01Å; R413-A415 PolarHBondContact O-N 3.36Å; A415-Q418 PolarHBondContact O-N 3.39Å; A415-Q419 PolarHBondContact O-N 3.49Å |
| 416 | V | 88.1 | Confident | 77.1 | Confident | 65 Ų | 65 | 76.7 Ų | 76.7 | 39% | 0.394 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 174.8 | 166.5 | 0 | 0 | 0 | 0 | 111.3 | S412 R413 Q419 L420 | S412-V416 WeakPolarHBondContact O-CG2 3.5Å; S412-V416 PolarHBondContact O-N 3Å; R413-V416 PolarHBondContact O-N 3.08Å; V416-Q419 PolarHBondContact O-N 3.19Å; V416-L420 HydrophobicContact CG1-CD1 3.78Å; V416-L420 WeakPolarHBondContact O-CB 3.2Å; V416-L420 PolarHBondContact O-N 3.35Å |
| 417 | L | 85.7 | Confident | 75.9 | Confident | 1 Ų | 1 | 86.5 Ų | 86.5 | 1% | 0.005 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -66.4 | -37.1 | 177.9 | -78.1 | 167.9 | 0 | 0 | 0 | 112.8 | Y387 L391 Y394 R413 L414 Q419 L420 V421 | Y387-L417 HydrophobicContact CD1-CD2 3.95Å; Y387-L417 HydrophobicContact CG-CD2 4.42Å; L391-L417 HydrophobicContact CD1-CB 4.18Å; Y394-L417 HydrophobicContact CD2-CD1 3.53Å; Y394-L417 HydrophobicContact CE2-CD1 3.66Å; R413-L417 HydrophobicContact CG-CD1 4.18Å; R413-L417 WeakPolarHBondContact O-CB 3.48Å; R413-L417 PolarHBondContact O-N 2.86Å; L414-L417 PolarHBondContact O-N 2.95Å; L417-Q419 PolarHBondContact O-N 3.47Å; L417-L420 PolarHBondContact O-N 3.25Å; L417-V421 HydrophobicContact CD2-CG2 4.32Å; L417-V421 WeakPolarHBondContact O-CB 3.48Å; L417-V421 WeakPolarHBondContact O-CG2 3.44Å; L417-V421 PolarHBondContact O-N 2.92Å |
| 418 | Q | 89.5 | Confident | 74.3 | Confident | 91 Ų | 91 | 87.5 Ų | 87.5 | 43% | 0.425 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.1 | -31.7 | 173.3 | -76.1 | 179.3 | 22.6 | 0 | 0 | 112.8 | L391 L414 A415 P422 | L391-Q418 HydrophobicContact CD1-CG 3.68Å; L414-Q418 HydrophobicContact CD1-CG 4.17Å; L414-Q418 WeakPolarHBondContact O-CB 3.26Å; L414-Q418 VanDerWaalsContact O-CG 3.25Å; L414-Q418 WeakPolarHBondContact O-CG 3.27Å; L414-Q418 PolarHBondContact O-N 3.19Å; A415-Q418 PolarHBondContact O-N 3.39Å; Q418-P422 WeakPolarHBondContact O-CD 3.5Å; Q418-P422 WeakPolarHBondContact O-CG 3.22Å |
| 419 | Q | 86.1 | Confident | 72.1 | Confident | 128 Ų | 128 | 89.7 Ų | 89.7 | 60% | 0.598 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -84.9 | -27.6 | 175.5 | -66.8 | -171.7 | 26.2 | 0 | 0 | 114.1 | A415 V416 L417 K423 | A415-Q419 PolarHBondContact O-N 3.49Å; V416-Q419 PolarHBondContact O-N 3.19Å; L417-Q419 PolarHBondContact O-N 3.47Å; Q419-K423 VanDerWaalsContact O-CD 3.22Å; Q419-K423 WeakPolarHBondContact O-CD 3.36Å; Q419-K423 VanDerWaalsContact O-CE 3.22Å; Q419-K423 WeakPolarHBondContact O-CE 3.48Å; Q419-K423 WeakPolarHBondContact O-CG 3.46Å |
| 420 | L | 84.6 | Confident | 69.7 | Low | 81 Ų | 81 | 87.5 Ų | 87.5 | 42% | 0.424 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -85.4 | -45.9 | -178.3 | -89.8 | 166.1 | 0 | 0 | 0 | 113.2 | V416 L417 K423 L424 | V416-L420 HydrophobicContact CG1-CD1 3.78Å; V416-L420 WeakPolarHBondContact O-CB 3.2Å; V416-L420 PolarHBondContact O-N 3.35Å; L417-L420 PolarHBondContact O-N 3.25Å; L420-K423 WeakPolarHBondContact O-CA 3.45Å; L420-K423 WeakPolarHBondContact O-CB 3.39Å; L420-K423 PolarHBondContact O-N 3.44Å; L420-L424 PolarHBondContact O-N 3.42Å |
| 421 | V | 84.1 | Confident | 67.2 | Low | 18 Ų | 18 | 94.1 Ų | 94.1 | 11% | 0.109 | 51% | 0.511 | C | S | . | . | G | 310 helix | trans | -57.6 | -39.9 | -173.7 | 171 | 0 | 0 | 0 | 0 | 113.3 | K388 L391 L417 K423 L424 | K388-V421 HydrophobicContact CG-CG1 3.69Å; L391-V421 HydrophobicContact CB-CG2 4.41Å; L391-V421 HydrophobicContact CD2-CB 3.94Å; L391-V421 HydrophobicContact CD2-CG1 4Å; L391-V421 HydrophobicContact CD2-CG2 4.03Å; L417-V421 HydrophobicContact CD2-CG2 4.32Å; L417-V421 WeakPolarHBondContact O-CB 3.48Å; L417-V421 WeakPolarHBondContact O-CG2 3.44Å; L417-V421 PolarHBondContact O-N 2.92Å; V421-K423 PolarHBondContact O-N 2.84Å; V421-L424 PolarHBondContact O-N 2.63Å |
| 422 | P | 78.7 | Confident | 64.5 | Low | 104 Ų | 104 | 96.7 Ų | 96.7 | 68% | 0.675 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -69.3 | -17 | 174 | -21.1 | 34.6 | 0 | 0 | 0 | 114.8 | Q418 | Q418-P422 WeakPolarHBondContact O-CD 3.5Å; Q418-P422 WeakPolarHBondContact O-CG 3.22Å |
| 423 | K | 73.6 | Confident | 62.1 | Low | 149 Ų | 149 | 103 Ų | 103 | 65% | 0.648 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -96 | -15.9 | 179.8 | -60.4 | 176.5 | -171.4 | 168 | 0 | 112.6 | Q419 L420 V421 L425 | Q419-K423 VanDerWaalsContact O-CD 3.22Å; Q419-K423 WeakPolarHBondContact O-CD 3.36Å; Q419-K423 VanDerWaalsContact O-CE 3.22Å; Q419-K423 WeakPolarHBondContact O-CE 3.48Å; Q419-K423 WeakPolarHBondContact O-CG 3.46Å; L420-K423 WeakPolarHBondContact O-CA 3.45Å; L420-K423 WeakPolarHBondContact O-CB 3.39Å; L420-K423 PolarHBondContact O-N 3.44Å; V421-K423 PolarHBondContact O-N 2.84Å; K423-L425 PolarHBondContact O-N 3.39Å; K423-L425 VanDerWaalsContact O-N 3.13Å |
| 424 | L | 66.5 | Low | 59.3 | Low | 81 Ų | 81 | 106.3 Ų | 106.3 | 42% | 0.424 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -77.8 | 90 | 173.7 | -72.3 | 169.7 | 0 | 0 | 0 | 109.9 | Y387 L420 V421 D426 | Y387-L424 HydrophobicContact CD2-CD1 3.72Å; Y387-L424 HydrophobicContact CE2-CD1 4.44Å; Y387-L424 HydrophobicContact CG-CD1 4.11Å; L420-L424 PolarHBondContact O-N 3.42Å; V421-L424 PolarHBondContact O-N 2.63Å; L424-D426 PolarHBondContact O-N 2.91Å |
| 425 | L | 42.5 | Very low | 56.5 | Low | 155 Ų | 155 | 109.2 Ų | 109.2 | 81% | 0.812 | 61% | 0.614 | S | S | * | * | trans | -54.3 | 128.8 | 171.1 | -113.4 | 76.2 | 0 | 0 | 0 | 110.8 | K423 K427 | K423-L425 PolarHBondContact O-N 3.39Å; K423-L425 VanDerWaalsContact O-N 3.13Å; L425-K427 PolarHBondContact O-N 3.28Å | ||
| 426 | D | 45.9 | Very low | 54.1 | Low | 97 Ų | 97 | 112.3 Ų | 112.3 | 52% | 0.519 | 63% | 0.63 | S | S | . | * | trans | -64.7 | 99.6 | 172.7 | -74.8 | -63.3 | 0 | 0 | 0 | 110.7 | K388 L424 T428 | K388-D426 IonicContact NZ-OD1 2.75Å; K388-D426 PolarHBondContact NZ-OD1 3.44Å; K388-D426 IonicContact NZ-OD2 2.74Å; K388-D426 PolarHBondContact NZ-OD2 3.13Å; L424-D426 PolarHBondContact O-N 2.91Å; D426-T428 PolarHBondContact O-N 2.89Å | ||
| 427 | K | 39.7 | Very low | 51.3 | Low | 208 Ų | 208 | 116.9 Ų | 116.9 | 90% | 0.904 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 32.6 | 172.7 | -72.8 | -170.7 | 173.1 | -177.7 | 0 | 113.5 | L425 | L425-K427 PolarHBondContact O-N 3.28Š|
| 428 | T | 34.2 | Very low | 48.5 | Very low | 122 Ų | 122 | 121.6 Ų | 121.6 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.1 | 30.9 | -170.2 | 30.9 | 0 | 0 | 0 | 0 | 113.8 | D426 | D426-T428 PolarHBondContact O-N 2.89Š|
| 429 | T | 28.7 | Very low | 45.6 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 82% | 0.822 | 70% | 0.703 | S | S | * | * | trans | -134.1 | 101.2 | 157.1 | 34.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 430 | G | 25.9 | Very low | 42.9 | Very low | 73 Ų | 73 | 123.2 Ų | 123.2 | 75% | 0.753 | 71% | 0.709 | S | S | * | * | trans | -174.3 | 34.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 431 | N | 29.8 | Very low | 40.3 | Very low | 160 Ų | 160 | 126 Ų | 126 | 86% | 0.856 | 73% | 0.73 | S | S | * | * | trans | -163.1 | 107.6 | 150.4 | -113.9 | -9.6 | 0 | 0 | 0 | 112 | ||||
| 432 | T | 26.9 | Very low | 37.5 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | -91.7 | 119.7 | 166 | 46.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 433 | F | 31.4 | Very low | 35.1 | Very low | 200 Ų | 200 | 130.2 Ų | 130.2 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | trans | -140.4 | 128.7 | 161.5 | -118.3 | -83.9 | 0 | 0 | 0 | 110.3 | ||||
| 434 | N | 29.4 | Very low | 33 | Very low | 169 Ų | 169 | 129.7 Ų | 129.7 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | trans | -94.1 | 138.4 | 175 | -73.7 | -33.4 | 0 | 0 | 0 | 109.7 | ||||
| 435 | G | 28.8 | Very low | 31.2 | Very low | 75 Ų | 75 | 134.1 Ų | 134.1 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | 177.1 | 115.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 436 | P | 36.9 | Very low | 30.6 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -106.1 | 166.6 | -169.9 | 38.9 | -34.9 | 0 | 0 | 0 | 115.4 | ||||
| 437 | N | 28 | Very low | 29.7 | Very low | 160 Ų | 160 | 131.4 Ų | 131.4 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | 69.2 | 145.4 | 169.2 | -60.7 | -10.8 | 0 | 0 | 0 | 115.5 | ||||
| 438 | S | 28.2 | Very low | 29.3 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | cis | -160.4 | 155.3 | 13 | 49 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 439 | N | 28.7 | Very low | 29.1 | Very low | 149 Ų | 149 | 127.4 Ų | 127.4 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | 52.4 | 111.7 | 142.6 | -61.3 | 5.4 | 0 | 0 | 0 | 123.1 | ||||
| 440 | S | 28.1 | Very low | 29.2 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | 24.6 | 138.3 | 128 | 63.3 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 441 | V | 29.4 | Very low | 29.5 | Very low | 140 Ų | 140 | 127.1 Ų | 127.1 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | -168 | 175.7 | 114.6 | 140.2 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 442 | T | 27.1 | Very low | 29.8 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 72% | 0.718 | 79% | 0.789 | S | S | * | * | trans | -108.3 | 162.6 | -154.6 | 55.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 443 | S | 28.2 | Very low | 29.8 | Very low | 93 Ų | 93 | 123.2 Ų | 123.2 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | trans | 69.1 | 120.6 | 137.1 | 61.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 444 | N | 28.9 | Very low | 29.6 | Very low | 137 Ų | 137 | 119.8 Ų | 119.8 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | 86.4 | 124.1 | 129.4 | -74.8 | 0.9 | 0 | 0 | 0 | 123.5 | |||||
| 445 | Q | 29.3 | Very low | 29.7 | Very low | 175 Ų | 175 | 115.1 Ų | 115.1 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | 71.6 | 145.9 | 141.7 | -65.2 | -176.8 | 2.5 | 0 | 0 | 118.2 | ||||
| 446 | V | 28.6 | Very low | 30 | Very low | 138 Ų | 138 | 114.2 Ų | 114.2 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | cis | -154.9 | 157.1 | -5.3 | 109.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 447 | G | 26.7 | Very low | 30.7 | Very low | 56 Ų | 56 | 113.5 Ų | 113.5 | 58% | 0.577 | 75% | 0.753 | S | S | * | * | trans | 99.3 | 93.7 | 144.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 448 | N | 31.5 | Very low | 32.1 | Very low | 173 Ų | 173 | 112.8 Ų | 112.8 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | 164.1 | 141.4 | 106.5 | -85.1 | -16.6 | 0 | 0 | 0 | 113.6 | |||||
| 449 | G | 29.8 | Very low | 34.3 | Very low | 73 Ų | 73 | 114.7 Ų | 114.7 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | trans | 84.4 | 91.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 450 | P | 32.1 | Very low | 37 | Very low | 138 Ų | 138 | 107.8 Ų | 107.8 | 90% | 0.896 | 71% | 0.713 | S | S | * | * | trans | -87 | 135.1 | 167.8 | 33.9 | -31 | 0 | 0 | 0 | 112 | ||||
| 451 | G | 31 | Very low | 39.8 | Very low | 63 Ų | 63 | 104.2 Ų | 104.2 | 65% | 0.649 | 69% | 0.688 | S | S | * | * | trans | -151.6 | 138 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | G453 | G451-G453 VanDerWaalsContact C-N 3.25Å; G451-G453 PolarHBondContact O-N 3.1Å | ||
| 452 | P | 35.8 | Very low | 42.5 | Very low | 147 Ų | 147 | 99.2 Ų | 99.2 | 96% | 0.955 | 66% | 0.658 | S | S | * | * | trans | -78.2 | 70.1 | -173.5 | 32.2 | -35.6 | 0 | 0 | 0 | 112 | ||||
| 453 | G | 28.9 | Very low | 45.2 | Very low | 68 Ų | 68 | 93.9 Ų | 93.9 | 70% | 0.701 | 63% | 0.625 | S | S | * | * | trans | -83.1 | 127.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | G451 G455 | G451-G453 VanDerWaalsContact C-N 3.25Å; G451-G453 PolarHBondContact O-N 3.1Å; G453-G455 PolarHBondContact O-N 3.27Å; G453-G455 VanDerWaalsContact O-N 3.13Å | ||
| 454 | C | 26.8 | Very low | 47.7 | Very low | 128 Ų | 128 | 94.4 Ų | 94.4 | 87% | 0.865 | 62% | 0.621 | S | S | * | * | trans | -57.6 | 112.5 | -175.9 | -172.5 | 0 | 0 | 0 | 0 | 113 | G456 | C454-G456 PolarHBondContact O-N 3.25Å; C454-G456 VanDerWaalsContact O-N 3.14Å | ||
| 455 | G | 30.2 | Very low | 50.2 | Low | 71 Ų | 71 | 92.8 Ų | 92.8 | 73% | 0.732 | 61% | 0.609 | S | S | * | * | trans | -76 | 93.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | G453 I457 | G453-G455 PolarHBondContact O-N 3.27Å; G453-G455 VanDerWaalsContact O-N 3.13Å; G455-I457 PolarHBondContact O-N 3.48Å | ||
| 456 | G | 36 | Very low | 52.6 | Low | 56 Ų | 56 | 84.9 Ų | 84.9 | 58% | 0.577 | 57% | 0.573 | S | S | * | * | trans | -59.1 | 118.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | C454 T458 | C454-G456 PolarHBondContact O-N 3.25Å; C454-G456 VanDerWaalsContact O-N 3.14Å; G456-T458 PolarHBondContact O-N 3.17Å | ||
| 457 | I | 51.4 | Low | 54.9 | Low | 96 Ų | 96 | 83.4 Ų | 83.4 | 49% | 0.492 | 55% | 0.553 | S | S | . | * | trans | -71 | 92.9 | 164.8 | -58.9 | 176.2 | 0 | 0 | 0 | 107.4 | M354 G455 K459 | M354-I457 HydrophobicContact CB-CD1 3.95Å; M354-I457 HydrophobicContact CG-CD1 4.49Å; G455-I457 PolarHBondContact O-N 3.48Å; I457-K459 PolarHBondContact O-N 3.02Å | ||
| 458 | T | 56.9 | Low | 57 | Low | 146 Ų | 146 | 85.1 Ų | 85.1 | 90% | 0.896 | 56% | 0.556 | S | S | * | * | trans | -73.5 | -7.4 | -175.6 | 50.9 | 0 | 0 | 0 | 0 | 114.2 | G456 | G456-T458 PolarHBondContact O-N 3.17Š| ||
| 459 | K | 75.7 | Confident | 58.7 | Low | 139 Ų | 139 | 80.3 Ų | 80.3 | 60% | 0.604 | 53% | 0.529 | S | S | * | . | trans | -159.5 | 126.6 | 175.6 | -158 | 177.8 | 178.9 | -170.8 | 0 | 111.7 | I457 | I457-K459 PolarHBondContact O-N 3.02Š| ||
| 460 | L | 84.2 | Confident | 60 | Low | 4 Ų | 4 | 81.8 Ų | 81.8 | 2% | 0.021 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 152.7 | 165.2 | -68.6 | 179 | 0 | 0 | 0 | 111.5 | P353 M354 L357 L380 Y381 M384 Q386 | P353-L460 HydrophobicContact CB-CD1 4.39Å; P353-L460 HydrophobicContact CB-CD2 4.18Å; M354-L460 HydrophobicContact CB-CD2 4.35Å; M354-L460 HydrophobicContact SD-CD2 4.1Å; L357-L460 HydrophobicContact CD2-CB 4.38Å; L357-L460 HydrophobicContact CD2-CD1 4.45Å; L357-L460 HydrophobicContact CD2-CD2 4.32Å; L380-L460 HydrophobicContact CD1-CD1 4.42Å; L380-L460 HydrophobicContact CD2-CD1 4.21Å; L380-L460 HydrophobicContact CG-CD1 3.97Å; Y381-L460 HydrophobicContact CD1-CD1 4.47Å; Y381-L460 HydrophobicContact CE1-CB 4.11Å; Y381-L460 HydrophobicContact CE1-CD1 4.44Å; M384-L460 HydrophobicContact CB-CD1 4.42Å; M384-L460 HydrophobicContact CG-CD1 3.75Å; M384-L460 HydrophobicContact CG-CG 4.03Å; Q386-L460 PolarHBondContact NE2-O 3.45Å |
| 461 | P | 86.5 | Confident | 61.1 | Low | 31 Ų | 31 | 80.2 Ų | 80.2 | 20% | 0.201 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -57 | 150.1 | 168.3 | -21.1 | 32.6 | 0 | 0 | 0 | 112.3 | M354 L357 Y381 E465 L469 | M354-P461 HydrophobicContact CE-CG 4.24Å; M354-P461 HydrophobicContact SD-CG 4.18Å; L357-P461 HydrophobicContact CD2-CG 4.49Å; Y381-P461 WeakPolarHBondContact CE1-O 3.49Å; Y381-P461 PolarHBondContact OH-O 2.83Å; P461-E465 HydrophobicContact CB-CB 4.02Å; P461-L469 HydrophobicContact CG-CD1 4.13Å |
| 462 | T | 86.9 | Confident | 62 | Low | 34 Ų | 34 | 78.2 Ų | 78.2 | 21% | 0.209 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 163 | 172.1 | 60.1 | 0 | 0 | 0 | 0 | 111.9 | E389 D464 E465 A466 | E389-T462 HydrophobicContact CG-CG2 4.28Å; E389-T462 WeakPolarHBondContact OE2-CB 3.41Å; T462-D464 PolarHBondContact O-N 2.9Å; T462-E465 WeakPolarHBondContact CB-OE2 3.05Å; T462-E465 WeakPolarHBondContact CG2-OE2 3.42Å; T462-E465 PolarHBondContact N-OE2 3.04Å; T462-E465 PolarHBondContact O-N 2.81Å; T462-E465 VanDerWaalsContact O-N 3.11Å; T462-E465 VanDerWaalsContact OG1-CG 3.26Å; T462-E465 WeakPolarHBondContact OG1-CG 3.47Å; T462-E465 PolarHBondContact OG1-N 2.77Å; T462-E465 PolarHBondContact OG1-OE2 2.67Å; T462-A466 WeakPolarHBondContact O-CB 3.42Å; T462-A466 PolarHBondContact O-N 3.22Å |
| 463 | V | 83.1 | Confident | 62.6 | Low | 5 Ų | 5 | 74.9 Ų | 74.9 | 3% | 0.03 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -56.2 | -40.1 | -179.9 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | F361 Y381 E389 K392 A466 W467 | F361-V463 HydrophobicContact CZ-CG1 4.17Å; Y381-V463 HydrophobicContact CD2-CG2 4.28Å; Y381-V463 HydrophobicContact CE2-CG2 3.57Å; Y381-V463 PolarHBondContact OH-N 2.93Å; E389-V463 HydrophobicContact CB-CG2 4.14Å; E389-V463 WeakPolarHBondContact OE2-CB 3.14Å; E389-V463 WeakPolarHBondContact OE2-CG2 3.3Å; E389-V463 PolarHBondContact OE2-N 3.32Å; K392-V463 HydrophobicContact CB-CG2 4.44Å; K392-V463 HydrophobicContact CD-CB 4.07Å; K392-V463 HydrophobicContact CD-CG2 4.18Å; V463-A466 PolarHBondContact O-N 3.42Å; V463-W467 PolarHBondContact O-N 2.93Å |
| 464 | D | 81.7 | Confident | 63.4 | Low | 105 Ų | 105 | 77.4 Ų | 77.4 | 56% | 0.561 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -73.6 | -30.2 | -178.8 | -53.9 | -70.7 | 0 | 0 | 0 | 112.6 | K392 T462 | K392-D464 IonicContact NZ-OD2 3.18Å; K392-D464 PolarHBondContact NZ-OD2 3.07Å; T462-D464 PolarHBondContact O-N 2.9Å |
| 465 | E | 80.9 | Confident | 64.8 | Low | 103 Ų | 103 | 71.9 Ų | 71.9 | 48% | 0.481 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -75.4 | -39.3 | 172.3 | -71.6 | 164.2 | 140.1 | 0 | 0 | 111.6 | P461 T462 W467 S468 | P461-E465 HydrophobicContact CB-CB 4.02Å; T462-E465 WeakPolarHBondContact CB-OE2 3.05Å; T462-E465 WeakPolarHBondContact CG2-OE2 3.42Å; T462-E465 PolarHBondContact N-OE2 3.04Å; T462-E465 PolarHBondContact O-N 2.81Å; T462-E465 VanDerWaalsContact O-N 3.11Å; T462-E465 VanDerWaalsContact OG1-CG 3.26Å; T462-E465 WeakPolarHBondContact OG1-CG 3.47Å; T462-E465 PolarHBondContact OG1-N 2.77Å; T462-E465 PolarHBondContact OG1-OE2 2.67Å; E465-W467 VanDerWaalsContact C-N 3.33Å; E465-W467 PolarHBondContact O-N 3.48Å; E465-S468 WeakPolarHBondContact O-CA 3.2Å; E465-S468 WeakPolarHBondContact O-CB 3.4Å; E465-S468 PolarHBondContact O-N 3.04Å; E465-S468 PolarHBondContact O-OG 3.29Å |
| 466 | A | 79.2 | Confident | 65.7 | Low | 9 Ų | 9 | 71.8 Ų | 71.8 | 7% | 0.074 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.8 | -36 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L357 F361 T462 V463 S468 L469 | L357-A466 HydrophobicContact CD2-CB 4.22Å; F361-A466 HydrophobicContact CD1-CB 4.4Å; F361-A466 HydrophobicContact CD2-CB 4.05Å; F361-A466 HydrophobicContact CE1-CB 3.87Å; F361-A466 HydrophobicContact CE2-CB 3.49Å; F361-A466 VanDerWaalsContact CE2-CB 3.49Å; F361-A466 HydrophobicContact CG-CB 4.47Å; F361-A466 HydrophobicContact CZ-CB 3.4Å; T462-A466 WeakPolarHBondContact O-CB 3.42Å; T462-A466 PolarHBondContact O-N 3.22Å; V463-A466 PolarHBondContact O-N 3.42Å; A466-S468 PolarHBondContact O-N 3.3Å; A466-S468 VanDerWaalsContact O-N 3.09Å; A466-L469 PolarHBondContact O-N 2.85Å |
| 467 | W | 76.8 | Confident | 66.5 | Low | 107 Ų | 107 | 75 Ų | 75 | 41% | 0.405 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -16.8 | 168.9 | -80.6 | 117.5 | 0 | 0 | 0 | 114.5 | F361 V364 Q365 W374 V463 E465 | F361-W467 HydrophobicContact CD1-CD2 4.04Å; F361-W467 HydrophobicContact CD1-CE3 4.08Å; F361-W467 HydrophobicContact CD1-CG 4.47Å; F361-W467 HydrophobicContact CD1-CZ3 4.34Å; F361-W467 HydrophobicContact CE1-CB 4.37Å; F361-W467 AromaticContact CE1-CD1 3.81Å; F361-W467 AromaticContact CE1-CD2 3.57Å; F361-W467 HydrophobicContact CE1-CD2 3.57Å; F361-W467 AromaticContact CE1-CE2 3.64Å; F361-W467 HydrophobicContact CE1-CE3 4.09Å; F361-W467 AromaticContact CE1-CG 3.69Å; F361-W467 HydrophobicContact CE1-CG 3.69Å; F361-W467 HydrophobicContact CE1-CZ2 4.21Å; F361-W467 AromaticContact CE1-NE1 3.77Å; V364-W467 HydrophobicContact CG2-CH2 4.11Å; V364-W467 HydrophobicContact CG2-CZ2 4.32Å; Q365-W467 HydrophobicContact CB-CH2 4.47Å; Q365-W467 HydrophobicContact CB-CZ3 4.03Å; Q365-W467 HydrophobicContact CG-CZ3 4.24Å; W374-W467 AromaticContact CH2-CZ2 3.97Å; W374-W467 HydrophobicContact CH2-CZ2 3.97Å; W374-W467 HydrophobicContact CZ2-CZ2 4.27Å; V463-W467 PolarHBondContact O-N 2.93Å; E465-W467 VanDerWaalsContact C-N 3.33Å; E465-W467 PolarHBondContact O-N 3.48Å |
| 468 | S | 71.5 | Confident | 66.7 | Low | 92 Ų | 92 | 77.1 Ų | 77.1 | 64% | 0.643 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -3.9 | -178.8 | 76.4 | 0 | 0 | 0 | 0 | 114.4 | E465 A466 | E465-S468 WeakPolarHBondContact O-CA 3.2Å; E465-S468 WeakPolarHBondContact O-CB 3.4Å; E465-S468 PolarHBondContact O-N 3.04Å; E465-S468 PolarHBondContact O-OG 3.29Å; A466-S468 PolarHBondContact O-N 3.3Å; A466-S468 VanDerWaalsContact O-N 3.09Å |
| 469 | L | 68 | Low | 66.6 | Low | 71 Ų | 71 | 71.8 Ų | 71.8 | 37% | 0.372 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -77.1 | 138.7 | 176.3 | -65.2 | 176.9 | 0 | 0 | 0 | 110.6 | M354 P461 A466 | M354-L469 HydrophobicContact CE-CD1 3.71Å; P461-L469 HydrophobicContact CG-CD1 4.13Å; A466-L469 PolarHBondContact O-N 2.85Å |
| 470 | P | 56.9 | Low | 65.5 | Low | 104 Ų | 104 | 69.7 Ų | 69.7 | 68% | 0.675 | 37% | 0.371 | S | S | * | . | trans | -67.2 | 140.2 | 171.9 | 29.6 | -33.9 | 0 | 0 | 0 | 110 | P472 | P470-P472 WeakPolarHBondContact O-CD 3.42Š| ||
| 471 | I | 55 | Low | 64.2 | Low | 105 Ų | 105 | 75.7 Ų | 75.7 | 54% | 0.538 | 40% | 0.399 | S | S | . | . | trans | -62.2 | 115.4 | 169.8 | -56.9 | 173.7 | 0 | 0 | 0 | 107.5 | ||||
| 472 | P | 50.2 | Low | 62.9 | Low | 22 Ų | 22 | 77.9 Ų | 77.9 | 14% | 0.143 | 41% | 0.409 | C | S | . | . | trans | -75.2 | 132.3 | -172.1 | -16.2 | 30.3 | 0 | 0 | 0 | 112.4 | Q358 P470 E474 | Q358-P472 VanDerWaalsContact NE2-CG 3.26Å; P470-P472 WeakPolarHBondContact O-CD 3.42Å; P472-E474 HydrophobicContact CB-CB 4.16Å; P472-E474 PolarHBondContact O-N 2.82Å | ||
| 473 | A | 47 | Very low | 61.3 | Low | 77 Ų | 77 | 80.7 Ų | 80.7 | 64% | 0.636 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -15.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L475 T476 | A473-L475 VanDerWaalsContact C-N 3.33Å; A473-L475 PolarHBondContact O-N 2.76Å; A473-T476 PolarHBondContact O-OG1 2.92Å |
| 474 | E | 46.8 | Very low | 60.1 | Low | 120 Ų | 120 | 85.7 Ų | 85.7 | 56% | 0.561 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -22.3 | 179.2 | -66 | 111.7 | -147 | 0 | 0 | 113.9 | P472 T476 Q477 R478 | P472-E474 HydrophobicContact CB-CB 4.16Å; P472-E474 PolarHBondContact O-N 2.82Å; E474-T476 VanDerWaalsContact C-N 3.33Å; E474-T476 PolarHBondContact O-N 3.26Å; E474-Q477 WeakPolarHBondContact O-CA 3.28Å; E474-Q477 PolarHBondContact O-N 2.65Å; E474-R478 PolarHBondContact O-N 3.46Å |
| 475 | L | 55.4 | Low | 58.9 | Low | 12 Ų | 12 | 86.6 Ų | 86.6 | 6% | 0.063 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60 | -43.4 | 180 | -115.6 | 160.9 | 0 | 0 | 0 | 111.1 | Y347 D355 Q358 A473 Q477 | Y347-L475 HydrophobicContact CD2-CD2 4.34Å; Y347-L475 HydrophobicContact CE2-CD2 3.37Å; Y347-L475 WeakPolarHBondContact OH-CD2 3.23Å; D355-L475 HydrophobicContact CB-CD2 4.35Å; Q358-L475 HydrophobicContact CB-CD1 4.03Å; A473-L475 VanDerWaalsContact C-N 3.33Å; A473-L475 PolarHBondContact O-N 2.76Å; L475-Q477 VanDerWaalsContact C-N 3.25Å; L475-Q477 PolarHBondContact O-N 2.87Å |
| 476 | T | 50.6 | Low | 57.7 | Low | 69 Ų | 69 | 86.7 Ų | 86.7 | 42% | 0.423 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -78.3 | -1.1 | 173.8 | 40 | 0 | 0 | 0 | 0 | 114.4 | R327 A473 E474 | R327-T476 PolarHBondContact NH1-O 3.06Å; A473-T476 PolarHBondContact O-OG1 2.92Å; E474-T476 VanDerWaalsContact C-N 3.33Å; E474-T476 PolarHBondContact O-N 3.26Å |
| 477 | Q | 52.8 | Low | 56.5 | Low | 123 Ų | 123 | 89.3 Ų | 89.3 | 58% | 0.575 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -110.2 | -36.3 | -178 | -162.4 | 172.6 | 10.1 | 0 | 0 | 113.2 | E474 L475 Q479 L480 Q481 | E474-Q477 WeakPolarHBondContact O-CA 3.28Å; E474-Q477 PolarHBondContact O-N 2.65Å; L475-Q477 VanDerWaalsContact C-N 3.25Å; L475-Q477 PolarHBondContact O-N 2.87Å; Q477-Q479 VanDerWaalsContact C-N 3.28Å; Q477-Q479 PolarHBondContact O-N 3.12Å; Q477-L480 WeakPolarHBondContact O-CB 3.47Å; Q477-L480 PolarHBondContact O-N 3.31Å; Q477-L480 VanDerWaalsContact O-N 3.17Å; Q477-Q481 PolarHBondContact O-N 2.63Å |
| 478 | R | 55.5 | Low | 55.2 | Low | 142 Ų | 142 | 87.4 Ų | 87.4 | 54% | 0.536 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -56.5 | -40 | 174.9 | -79.4 | 180 | 168.3 | -177.9 | -5.9 | 112.7 | D355 E474 L480 Q481 L482 | D355-R478 VanDerWaalsContact CG-NH1 3.33Å; D355-R478 IonicContact OD1-CZ 3.61Å; D355-R478 IonicContact OD1-NH1 3.87Å; D355-R478 PolarHBondContact OD1-NH1 3.37Å; D355-R478 IonicContact OD2-NH1 3.81Å; D355-R478 PolarHBondContact OD2-NH1 3.04Å; E474-R478 PolarHBondContact O-N 3.46Å; R478-L480 VanDerWaalsContact C-N 3.3Å; R478-L480 PolarHBondContact O-N 3.43Å; R478-Q481 WeakPolarHBondContact O-CB 3.5Å; R478-Q481 PolarHBondContact O-N 2.73Å; R478-L482 PolarHBondContact O-N 3.05Å |
| 479 | Q | 54.4 | Low | 54.1 | Low | 33 Ų | 33 | 86.1 Ų | 86.1 | 15% | 0.154 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -60.1 | -39.3 | 178.4 | -145.3 | 92.8 | 53 | 0 | 0 | 112.5 | F323 Y347 Q477 Q481 L482 M483 | F323-Q479 HydrophobicContact CB-CG 4.41Å; Y347-Q479 PolarHBondContact OH-OE1 3.36Å; Q477-Q479 VanDerWaalsContact C-N 3.28Å; Q477-Q479 PolarHBondContact O-N 3.12Å; Q479-Q481 VanDerWaalsContact C-N 3.33Å; Q479-L482 PolarHBondContact O-N 3.19Å; Q479-M483 PolarHBondContact O-N 2.97Å |
| 480 | L | 52.6 | Low | 53.2 | Low | 95 Ų | 95 | 89.6 Ų | 89.6 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 178.9 | -168.6 | 72.8 | 0 | 0 | 0 | 111 | Q477 R478 L484 | Q477-L480 WeakPolarHBondContact O-CB 3.47Å; Q477-L480 PolarHBondContact O-N 3.31Å; Q477-L480 VanDerWaalsContact O-N 3.17Å; R478-L480 VanDerWaalsContact C-N 3.3Å; R478-L480 PolarHBondContact O-N 3.43Å; L480-L484 HydrophobicContact CG-CD1 4.19Å; L480-L484 WeakPolarHBondContact O-CB 3.46Å; L480-L484 WeakPolarHBondContact O-CD1 3.33Å; L480-L484 VanDerWaalsContact O-CG 3.23Å; L480-L484 WeakPolarHBondContact O-CG 3.32Å; L480-L484 PolarHBondContact O-N 2.88Å |
| 481 | Q | 56.7 | Low | 52.3 | Low | 130 Ų | 130 | 91.6 Ų | 91.6 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.8 | -42.3 | 175.9 | -164 | 90.1 | 42.4 | 0 | 0 | 111.9 | Q477 R478 Q479 Q485 | Q477-Q481 PolarHBondContact O-N 2.63Å; R478-Q481 WeakPolarHBondContact O-CB 3.5Å; R478-Q481 PolarHBondContact O-N 2.73Å; Q479-Q481 VanDerWaalsContact C-N 3.33Å; Q481-Q485 PolarHBondContact O-N 2.9Å; Q481-Q485 VanDerWaalsContact O-N 3.12Å |
| 482 | L | 57.8 | Low | 51.3 | Low | 77 Ų | 77 | 92.6 Ų | 92.6 | 40% | 0.403 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.1 | -46.6 | 178.3 | -71.4 | 168.4 | 0 | 0 | 0 | 112 | R478 Q479 L484 Q485 E486 | R478-L482 PolarHBondContact O-N 3.05Å; Q479-L482 PolarHBondContact O-N 3.19Å; L482-L484 VanDerWaalsContact C-N 3.27Å; L482-L484 PolarHBondContact O-N 2.86Å; L482-Q485 WeakPolarHBondContact O-CA 3.42Å; L482-Q485 WeakPolarHBondContact O-CB 3.44Å; L482-Q485 PolarHBondContact O-N 2.69Å; L482-E486 PolarHBondContact O-N 3.39Å; L482-E486 VanDerWaalsContact O-N 3.08Å |
| 483 | M | 54.4 | Low | 50.6 | Low | 93 Ų | 93 | 95.1 Ų | 95.1 | 46% | 0.458 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.5 | -38.7 | 177.3 | -165.8 | -165.6 | -58.1 | 0 | 0 | 111.8 | Q479 A487 | Q479-M483 PolarHBondContact O-N 2.97Å; M483-A487 WeakPolarHBondContact O-CB 3.43Å; M483-A487 PolarHBondContact O-N 3.48Å |
| 484 | L | 57.4 | Low | 49.9 | Very low | 111 Ų | 111 | 97.6 Ų | 97.6 | 58% | 0.581 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.8 | -29.4 | 173.1 | -73.1 | 169.3 | 0 | 0 | 0 | 113.3 | L480 L482 A488 | L480-L484 HydrophobicContact CG-CD1 4.19Å; L480-L484 WeakPolarHBondContact O-CB 3.46Å; L480-L484 WeakPolarHBondContact O-CD1 3.33Å; L480-L484 VanDerWaalsContact O-CG 3.23Å; L480-L484 WeakPolarHBondContact O-CG 3.32Å; L480-L484 PolarHBondContact O-N 2.88Å; L482-L484 VanDerWaalsContact C-N 3.27Å; L482-L484 PolarHBondContact O-N 2.86Å; L484-A488 WeakPolarHBondContact O-CB 3.23Å; L484-A488 PolarHBondContact O-N 2.7Å |
| 485 | Q | 57.7 | Low | 49.3 | Very low | 124 Ų | 124 | 95.1 Ų | 95.1 | 58% | 0.579 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71.6 | -40.9 | 175 | -83.9 | -176 | -52.4 | 0 | 0 | 112.5 | Q481 L482 A488 A489 | Q481-Q485 PolarHBondContact O-N 2.9Å; Q481-Q485 VanDerWaalsContact O-N 3.12Å; L482-Q485 WeakPolarHBondContact O-CA 3.42Å; L482-Q485 WeakPolarHBondContact O-CB 3.44Å; L482-Q485 PolarHBondContact O-N 2.69Å; Q485-A488 PolarHBondContact O-N 3.05Å; Q485-A489 WeakPolarHBondContact O-CB 3.48Å; Q485-A489 PolarHBondContact O-N 3.4Å |
| 486 | E | 54.6 | Low | 48.2 | Very low | 104 Ų | 104 | 100.2 Ų | 100.2 | 49% | 0.486 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -73.4 | -35.5 | 176.7 | -71.2 | -174.2 | -175.4 | 0 | 0 | 112.6 | Q320 L482 A488 A489 N490 | Q320-E486 PolarHBondContact NE2-OE2 2.75Å; L482-E486 PolarHBondContact O-N 3.39Å; L482-E486 VanDerWaalsContact O-N 3.08Å; E486-A488 PolarHBondContact O-N 3.16Å; E486-A489 PolarHBondContact O-N 3.16Å; E486-A489 VanDerWaalsContact O-N 3.11Å; E486-N490 PolarHBondContact O-N 2.97Å; E486-N490 VanDerWaalsContact O-N 3.14Å; E486-N490 PolarHBondContact O-ND2 3.46Å |
| 487 | A | 54.6 | Low | 47.1 | Very low | 65 Ų | 65 | 102 Ų | 102 | 54% | 0.537 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -57.9 | -38.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M483 | M483-A487 WeakPolarHBondContact O-CB 3.43Å; M483-A487 PolarHBondContact O-N 3.48Å |
| 488 | A | 48.4 | Very low | 46.1 | Very low | 67 Ų | 67 | 105.6 Ų | 105.6 | 55% | 0.554 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -76 | -25.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L484 Q485 E486 | L484-A488 WeakPolarHBondContact O-CB 3.23Å; L484-A488 PolarHBondContact O-N 2.7Å; Q485-A488 PolarHBondContact O-N 3.05Å; E486-A488 PolarHBondContact O-N 3.16Å |
| 489 | A | 49 | Very low | 44.8 | Very low | 64 Ų | 64 | 110.6 Ų | 110.6 | 53% | 0.529 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -74.7 | -33.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q485 E486 D491 T492 | Q485-A489 WeakPolarHBondContact O-CB 3.48Å; Q485-A489 PolarHBondContact O-N 3.4Å; E486-A489 PolarHBondContact O-N 3.16Å; E486-A489 VanDerWaalsContact O-N 3.11Å; A489-D491 VanDerWaalsContact C-N 3.3Å; A489-D491 PolarHBondContact O-N 2.89Å; A489-T492 PolarHBondContact O-OG1 3.15Å |
| 490 | N | 48.9 | Very low | 43.4 | Very low | 144 Ų | 144 | 114 Ų | 114 | 77% | 0.77 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -12.1 | -179.4 | -78 | -42.5 | 0 | 0 | 0 | 114.4 | E486 T492 | E486-N490 PolarHBondContact O-N 2.97Å; E486-N490 VanDerWaalsContact O-N 3.14Å; E486-N490 PolarHBondContact O-ND2 3.46Å; N490-T492 PolarHBondContact O-N 3.25Å |
| 491 | D | 38.2 | Very low | 42.3 | Very low | 146 Ų | 146 | 118.8 Ų | 118.8 | 78% | 0.781 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 10.4 | -172.4 | -142.9 | 12.6 | 0 | 0 | 0 | 114 | A489 | A489-D491 VanDerWaalsContact C-N 3.3Å; A489-D491 PolarHBondContact O-N 2.89Å |
| 492 | T | 34.7 | Very low | 40.8 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 78% | 0.779 | 70% | 0.7 | S | S | * | * | trans | -108.4 | 62.8 | 179.8 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | A489 N490 | A489-T492 PolarHBondContact O-OG1 3.15Å; N490-T492 PolarHBondContact O-N 3.25Å | ||
| 493 | G | 34.7 | Very low | 39.3 | Very low | 75 Ų | 75 | 127.7 Ų | 127.7 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | trans | -161.2 | 109.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 494 | S | 33.1 | Very low | 38 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 90% | 0.895 | 74% | 0.741 | S | S | * | * | trans | -98.6 | 129.6 | 178.4 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 495 | G | 33.6 | Very low | 36.5 | Very low | 68 Ų | 68 | 131.6 Ų | 131.6 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | -166.7 | 4.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 496 | S | 32.4 | Very low | 34.9 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | 55.5 | 111.6 | 166.2 | 63.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 497 | S | 28.8 | Very low | 33.7 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | 71.1 | 101.7 | 129.1 | -156.7 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 498 | K | 31.5 | Very low | 32.3 | Very low | 198 Ų | 198 | 137 Ų | 137 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | -173.2 | 113.4 | 99.2 | -100.5 | 172.9 | -176.2 | 173.1 | 0 | 115.5 | |||||
| 499 | R | 26.6 | Very low | 31.2 | Very low | 246 Ų | 246 | 142 Ų | 142 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | 54.9 | 118.3 | 140 | -124.3 | -174.6 | -171.5 | 177.3 | 2.2 | 121.7 | ||||
| 500 | S | 25.6 | Very low | 30.2 | Very low | 106 Ų | 106 | 146.1 Ų | 146.1 | 74% | 0.741 | 83% | 0.827 | S | S | * | * | trans | 95.3 | 90.1 | 131.6 | -162.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 501 | E | 29.8 | Very low | 29.1 | Very low | 194 Ų | 194 | 144.5 Ų | 144.5 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | -152.1 | -179.1 | 116.5 | -117.5 | 161.7 | -153.7 | 0 | 0 | 110.7 | |||||
| 502 | R | 26.4 | Very low | 28.5 | Very low | 223 Ų | 223 | 143.4 Ų | 143.4 | 84% | 0.842 | 82% | 0.823 | S | S | * | * | trans | -138.4 | 166.6 | -168.4 | -76.5 | -177.1 | 170.3 | 175.6 | -3.4 | 112.8 | ||||
| 503 | H | 26.1 | Very low | 28.2 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 79% | 0.792 | 83% | 0.825 | S | S | * | * | trans | 78.3 | 68.7 | 168.9 | -65.5 | -84.4 | 0 | 0 | 0 | 118.1 | ||||
| 504 | L | 27.2 | Very low | 27.7 | Very low | 178 Ų | 178 | 148.1 Ų | 148.1 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | trans | -159.6 | 61.6 | 139.5 | -114.5 | 165.5 | 0 | 0 | 0 | 112.2 | ||||
| 505 | A | 25 | Very low | 27.3 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | trans | -150.3 | 86.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 506 | G | 24.5 | Very low | 26.9 | Very low | 76 Ų | 76 | 150.7 Ų | 150.7 | 78% | 0.784 | 83% | 0.829 | S | S | * | * | trans | -167.1 | 22 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 507 | L | 27.9 | Very low | 26.6 | Very low | 160 Ų | 160 | 153 Ų | 153 | 84% | 0.838 | 83% | 0.831 | S | S | * | * | trans | -134.1 | 23.3 | -173.8 | -85.6 | 173.6 | 0 | 0 | 0 | 115 | ||||
| 508 | L | 26.1 | Very low | 26.4 | Very low | 170 Ų | 170 | 158.8 Ų | 158.8 | 89% | 0.89 | 84% | 0.836 | S | S | * | * | trans | -132.4 | 59.9 | 175.7 | -73.2 | 178.3 | 0 | 0 | 0 | 113.3 | ||||
| 509 | L | 25 | Very low | 26.1 | Very low | 171 Ų | 171 | 159 Ų | 159 | 90% | 0.895 | 84% | 0.837 | S | S | * | * | trans | -139.9 | 75.2 | 161.3 | -90.9 | 176.4 | 0 | 0 | 0 | 110.1 | P511 | L509-P511 WeakPolarHBondContact O-CD 3.31Š| ||
| 510 | I | 28.7 | Very low | 25.9 | Very low | 151 Ų | 151 | 158.6 Ų | 158.6 | 77% | 0.774 | 84% | 0.836 | S | S | * | * | trans | -93.5 | 111.8 | 168.9 | -62.2 | 177.6 | 0 | 0 | 0 | 108 | ||||
| 511 | P | 25.9 | Very low | 26 | Very low | 111 Ų | 111 | 159 Ų | 159 | 72% | 0.721 | 84% | 0.838 | S | S | * | * | trans | -69.7 | 151.4 | 169.2 | 30.5 | -33.8 | 0 | 0 | 0 | 110.4 | L509 | L509-P511 WeakPolarHBondContact O-CD 3.31Š| ||
| 512 | T | 24.7 | Very low | 25.8 | Very low | 122 Ų | 122 | 154.6 Ų | 154.6 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | trans | -57.3 | 123.7 | -174.3 | 44.7 | 0 | 0 | 0 | 0 | 113 | Q514 | T512-Q514 PolarHBondContact O-N 3.01Š| ||
| 513 | P | 28.5 | Very low | 25.8 | Very low | 127 Ų | 127 | 154 Ų | 154 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | -74.8 | 96.4 | 173.5 | 29.5 | -33 | 0 | 0 | 0 | 110 | ||||
| 514 | Q | 25.3 | Very low | 25.9 | Very low | 175 Ų | 175 | 154.5 Ų | 154.5 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -67.3 | 143.7 | 167.2 | -77.2 | -168.6 | -16.9 | 0 | 0 | 110.8 | T512 V516 | T512-Q514 PolarHBondContact O-N 3.01Å; Q514-V516 PolarHBondContact O-N 2.61Å | ||
| 515 | S | 24.4 | Very low | 26 | Very low | 119 Ų | 119 | 153.1 Ų | 153.1 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -68.3 | 120.7 | -174.9 | 56 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 516 | V | 25.2 | Very low | 26.2 | Very low | 130 Ų | 130 | 153.3 Ų | 153.3 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | trans | -136.8 | 105.3 | 159.6 | -174.3 | 0 | 0 | 0 | 0 | 110.3 | Q514 | Q514-V516 PolarHBondContact O-N 2.61Š| ||
| 517 | L | 25.2 | Very low | 26.4 | Very low | 167 Ų | 167 | 153.1 Ų | 153.1 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -179.9 | 87.7 | 130.9 | -98.6 | 168.9 | 0 | 0 | 0 | 110.7 | ||||
| 518 | R | 24.5 | Very low | 26.3 | Very low | 231 Ų | 231 | 154.9 Ų | 154.9 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -123.2 | 146.5 | 152.6 | -118.5 | -174 | -176.1 | -161.4 | 2.5 | 110 | ||||
| 519 | K | 26 | Very low | 26.5 | Very low | 201 Ų | 201 | 154 Ų | 154 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -52.3 | 133.8 | -165.4 | -63.3 | 171.1 | 176.3 | 178.3 | 0 | 114.8 | ||||
| 520 | R | 22.5 | Very low | 26.6 | Very low | 239 Ų | 239 | 149.2 Ų | 149.2 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | 49.7 | 163.5 | 135.6 | -101 | -177.2 | 176.8 | -178.4 | -0.4 | 120.7 | ||||
| 521 | S | 27.8 | Very low | 26.9 | Very low | 114 Ų | 114 | 147.6 Ų | 147.6 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | 57.1 | 100.5 | 172.2 | 41.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 522 | S | 24.1 | Very low | 27 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | -60 | 158.5 | 142.7 | 51.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 523 | W | 27.3 | Very low | 27.2 | Very low | 209 Ų | 209 | 150 Ų | 150 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | -179.7 | 119.4 | 121.1 | -104.9 | 63.7 | 0 | 0 | 0 | 109.6 | |||||
| 524 | R | 27.3 | Very low | 27.2 | Very low | 182 Ų | 182 | 148.8 Ų | 148.8 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | trans | 68.5 | 110.4 | 159.8 | -62.4 | -176.9 | 177 | -113.7 | 5.9 | 122.2 | ||||
| 525 | Q | 29.6 | Very low | 27.3 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | 72.8 | 103.9 | 119.5 | -66.2 | 176 | -76 | 0 | 0 | 122.1 | |||||
| 526 | S | 29.6 | Very low | 27.5 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | 49.2 | 116.7 | 126.8 | 62.9 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 527 | G | 27.9 | Very low | 27.7 | Very low | 72 Ų | 72 | 145.2 Ų | 145.2 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | 108.5 | 98.3 | 90.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 528 | F | 27.3 | Very low | 27.9 | Very low | 197 Ų | 197 | 143.6 Ų | 143.6 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | 71.4 | 136.4 | 148 | -87.5 | -95.6 | 0 | 0 | 0 | 122.7 | ||||
| 529 | N | 29.1 | Very low | 28.1 | Very low | 152 Ų | 152 | 141 Ų | 141 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | 71 | 133.9 | 158.8 | -62.7 | -19.9 | 0 | 0 | 0 | 120.9 | ||||
| 530 | G | 26.8 | Very low | 28.1 | Very low | 69 Ų | 69 | 137.1 Ų | 137.1 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | -110.7 | -140.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 531 | P | 36.9 | Very low | 28.3 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | cis | -128.8 | -141.7 | 3 | 40.8 | -20.8 | 0 | 0 | 0 | 112.5 | ||||
| 532 | N | 27.8 | Very low | 28.1 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 66% | 0.658 | 75% | 0.746 | S | S | * | * | trans | 75 | 144.2 | -179.8 | -70.4 | 28.7 | 0 | 0 | 0 | 115.3 | ||||
| 533 | E | 28.9 | Very low | 28.2 | Very low | 160 Ų | 160 | 128.6 Ų | 128.6 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | cis | -152.9 | -173.4 | -3 | -128 | 154.3 | 178.6 | 0 | 0 | 113.5 | ||||
| 534 | T | 27.5 | Very low | 28.1 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 63% | 0.632 | 76% | 0.757 | S | S | * | * | trans | -43.4 | 171.6 | 172.2 | 44.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 535 | E | 27.3 | Very low | 28.4 | Very low | 184 Ų | 184 | 122.4 Ų | 122.4 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | cis | -163.4 | 172.2 | -0.6 | -113 | 148.8 | -157.4 | 0 | 0 | 106.3 | ||||
| 536 | G | 29.3 | Very low | 28.1 | Very low | 59 Ų | 59 | 124.6 Ų | 124.6 | 61% | 0.608 | 76% | 0.762 | S | S | * | * | cis | -153.3 | 168.5 | 0.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 537 | S | 29.1 | Very low | 27.8 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | 76 | 139.5 | 97 | 112.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 538 | D | 29.6 | Very low | 27.5 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | cis | -150 | 159.2 | 10 | -95.4 | -50 | 0 | 0 | 0 | 113.8 | ||||
| 539 | E | 29 | Very low | 27.3 | Very low | 178 Ų | 178 | 132.7 Ų | 132.7 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | 50.5 | 160.2 | 145.8 | -68 | -158.3 | 135.3 | 0 | 0 | 123.7 | ||||
| 540 | C | 24.9 | Very low | 27.1 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | cis | -167.3 | 174.9 | -39.3 | -156.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 541 | G | 26.5 | Very low | 27 | Very low | 74 Ų | 74 | 135.6 Ų | 135.6 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | trans | 83.2 | 96.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 542 | G | 24.2 | Very low | 26.3 | Very low | 73 Ų | 73 | 137.5 Ų | 137.5 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -106.8 | 177.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 543 | S | 26.8 | Very low | 26.1 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | -167.6 | 143.9 | 160.1 | -90.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 544 | I | 23.9 | Very low | 25.9 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | trans | -152.7 | 127.9 | -174.4 | -48.8 | 162.6 | 0 | 0 | 0 | 104.4 | ||||
| 545 | P | 35.4 | Very low | 25.8 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | -164 | 173.4 | 65.4 | 45.7 | -24.2 | 0 | 0 | 0 | 120.9 | |||||
| 546 | K | 23 | Very low | 26 | Very low | 196 Ų | 196 | 132 Ų | 132 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | trans | 81.7 | 148.9 | 136.2 | -84.7 | 160.2 | -171.2 | 172.7 | 0 | 124.3 | ||||
| 547 | R | 22.8 | Very low | 26.5 | Very low | 230 Ų | 230 | 134.3 Ų | 134.3 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | 95.2 | 85.8 | 147.4 | -86.1 | -175 | 171 | 177.1 | -1.7 | 122.8 | ||||
| 548 | S | 22.2 | Very low | 27.7 | Very low | 94 Ų | 94 | 133.3 Ų | 133.3 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | 42.8 | 128.1 | 112.7 | 67.6 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 549 | R | 23.3 | Very low | 29.5 | Very low | 228 Ų | 228 | 129.2 Ų | 129.2 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | -176.6 | 168.4 | 95.4 | -102.1 | -172.9 | 170.8 | 170.4 | -2.5 | 114.2 | |||||
| 550 | H | 23.1 | Very low | 31.6 | Very low | 170 Ų | 170 | 127.8 Ų | 127.8 | 79% | 0.787 | 75% | 0.748 | S | S | * | * | trans | -50.3 | 154.5 | -173.4 | -55.2 | -100.3 | 0 | 0 | 0 | 118.3 | ||||
| 551 | S | 25.2 | Very low | 34.4 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | trans | -144.9 | 150.4 | 131.3 | 56.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 552 | D | 22.4 | Very low | 37.2 | Very low | 156 Ų | 156 | 122.9 Ų | 122.9 | 83% | 0.834 | 70% | 0.7 | S | S | * | * | trans | -89.1 | 135.4 | 176.6 | -64.4 | -67.7 | 0 | 0 | 0 | 111.1 | ||||
| 553 | S | 23.5 | Very low | 40.4 | Very low | 117 Ų | 117 | 122 Ų | 122 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | trans | -176.3 | 160.3 | 150.5 | 40.3 | 0 | 0 | 0 | 0 | 112 | S555 | S553-S555 PolarHBondContact O-N 3.22Š| ||
| 554 | S | 25 | Very low | 43.1 | Very low | 123 Ų | 123 | 122.2 Ų | 122.2 | 86% | 0.86 | 67% | 0.673 | S | S | * | * | trans | -75.4 | 116.1 | -175.9 | 53.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 555 | S | 26 | Very low | 46.1 | Very low | 96 Ų | 96 | 122 Ų | 122 | 67% | 0.671 | 67% | 0.668 | S | S | * | * | trans | -153.6 | 134.9 | 142.2 | 63.1 | 0 | 0 | 0 | 0 | 110.6 | S553 T557 | S553-S555 PolarHBondContact O-N 3.22Å; S555-T557 PolarHBondContact O-N 2.85Å | ||
| 556 | S | 31.8 | Very low | 48.7 | Very low | 118 Ų | 118 | 120.1 Ų | 120.1 | 83% | 0.825 | 65% | 0.651 | S | S | * | * | trans | -82 | 87.2 | 167.5 | 57.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 557 | T | 38.3 | Very low | 51.8 | Low | 108 Ų | 108 | 114 Ų | 114 | 66% | 0.663 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 135.8 | 175.1 | 34.2 | 0 | 0 | 0 | 0 | 110.3 | S555 V559 | S555-T557 PolarHBondContact O-N 2.85Å; T557-V559 PolarHBondContact O-N 2.88Å |
| 558 | P | 54.6 | Low | 54.8 | Low | 85 Ų | 85 | 110 Ų | 110 | 55% | 0.552 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 123.1 | 178.5 | 26.8 | -33.2 | 0 | 0 | 0 | 109 | Q560 | P558-Q560 PolarHBondContact O-N 3.1Å; P558-Q560 VanDerWaalsContact O-N 3.16Å |
| 559 | V | 67.3 | Low | 58 | Low | 46 Ų | 46 | 109 Ų | 109 | 28% | 0.279 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 119.3 | 172.7 | -176.9 | 0 | 0 | 0 | 0 | 107.3 | T557 R597 Y598 | T557-V559 PolarHBondContact O-N 2.88Å; V559-R597 HydrophobicContact CG1-CB 4.06Å; V559-R597 HydrophobicContact CG2-CB 4.43Å; V559-Y598 HydrophobicContact CB-CD2 4.44Å; V559-Y598 HydrophobicContact CG1-CD2 4.43Å; V559-Y598 WeakPolarHBondContact O-CD2 3.33Å; V559-Y598 WeakPolarHBondContact O-CE2 3.4Å |
| 560 | Q | 74.3 | Confident | 61.2 | Low | 149 Ų | 149 | 99 Ų | 99 | 70% | 0.696 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -78 | 138.7 | 177.3 | -72.5 | -169.6 | -18 | 0 | 0 | 110.8 | P558 Q594 | P558-Q560 PolarHBondContact O-N 3.1Å; P558-Q560 VanDerWaalsContact O-N 3.16Å; Q560-Q594 PolarHBondContact O-NE2 2.87Å; Q560-Q594 VanDerWaalsContact O-NE2 3.08Å |
| 561 | P | 82.3 | Confident | 64.1 | Low | 69 Ų | 69 | 96.9 Ų | 96.9 | 45% | 0.448 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 158.1 | 172.6 | 27.1 | -34 | 0 | 0 | 0 | 110.9 | Y598 | P561-Y598 HydrophobicContact CB-CD1 4.15Å; P561-Y598 HydrophobicContact CB-CD2 4.37Å; P561-Y598 HydrophobicContact CB-CE1 3.84Å; P561-Y598 HydrophobicContact CB-CE2 4.09Å; P561-Y598 HydrophobicContact CB-CG 4.4Å; P561-Y598 HydrophobicContact CG-CE2 4.32Å |
| 562 | L | 86 | Confident | 67 | Low | 20 Ų | 20 | 93.9 Ų | 93.9 | 11% | 0.105 | 54% | 0.538 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 137 | 170.5 | -70.2 | 159.8 | 0 | 0 | 0 | 109.9 | Q566 L567 L570 L591 Q594 A595 | L562-Q566 HydrophobicContact CB-CB 4.07Å; L562-Q566 HydrophobicContact CD2-CB 3.8Å; L562-Q566 HydrophobicContact CD2-CG 4.42Å; L562-L567 HydrophobicContact CB-CD2 4.5Å; L562-L567 HydrophobicContact CB-CG 4Å; L562-L567 HydrophobicContact CD1-CD2 4.4Å; L562-L570 HydrophobicContact CD1-CD2 4.29Å; L562-L591 HydrophobicContact CD2-CB 4.4Å; L562-L591 HydrophobicContact CD2-CD2 3.65Å; L562-Q594 HydrophobicContact CD2-CB 4.07Å; L562-Q594 HydrophobicContact CD2-CG 4.08Å; L562-Q594 HydrophobicContact CG-CG 4.29Å; L562-A595 HydrophobicContact CD1-CB 3.8Å |
| 563 | S | 91.6 | Very high | 70.1 | Confident | 55 Ų | 55 | 86.7 Ų | 86.7 | 39% | 0.385 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 161.5 | 172.7 | 80.4 | 0 | 0 | 0 | 0 | 111.5 | Q565 Q566 L567 | S563-Q565 PolarHBondContact O-N 2.63Å; S563-Q566 CarbonylContact O-C 3.58Å; S563-Q566 WeakPolarHBondContact O-CA 3.39Å; S563-Q566 WeakPolarHBondContact O-CB 3.45Å; S563-Q566 PolarHBondContact O-N 2.84Å; S563-Q566 WeakPolarHBondContact OG-CG 3.49Å; S563-Q566 PolarHBondContact OG-N 2.57Å; S563-L567 PolarHBondContact O-N 3.34Å |
| 564 | N | 83 | Confident | 73 | Confident | 134 Ų | 134 | 85.8 Ų | 85.8 | 72% | 0.717 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -57.3 | -34.5 | 176.9 | -79.4 | -21.1 | 0 | 0 | 0 | 113 | L567 Q568 | N564-L567 PolarHBondContact O-N 2.98Å; N564-Q568 WeakPolarHBondContact O-CG 3.35Å; N564-Q568 PolarHBondContact O-N 3.17Å |
| 565 | Q | 87 | Confident | 75.6 | Confident | 156 Ų | 156 | 83.9 Ų | 83.9 | 73% | 0.729 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67.3 | -40.6 | 172.7 | -72.5 | -179.4 | -20.7 | 0 | 0 | 112 | S563 Q568 L569 | S563-Q565 PolarHBondContact O-N 2.63Å; Q565-Q568 PolarHBondContact O-N 3Å; Q565-L569 WeakPolarHBondContact O-CB 3.43Å; Q565-L569 PolarHBondContact O-N 3.4Å |
| 566 | Q | 90.7 | Very high | 78.1 | Confident | 60 Ų | 60 | 83 Ų | 83 | 28% | 0.28 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.5 | -33.9 | 175.8 | -72.8 | -179.8 | -57.1 | 0 | 0 | 112.5 | L562 S563 L569 L570 L591 | L562-Q566 HydrophobicContact CB-CB 4.07Å; L562-Q566 HydrophobicContact CD2-CB 3.8Å; L562-Q566 HydrophobicContact CD2-CG 4.42Å; S563-Q566 CarbonylContact O-C 3.58Å; S563-Q566 WeakPolarHBondContact O-CA 3.39Å; S563-Q566 WeakPolarHBondContact O-CB 3.45Å; S563-Q566 PolarHBondContact O-N 2.84Å; S563-Q566 WeakPolarHBondContact OG-CG 3.49Å; S563-Q566 PolarHBondContact OG-N 2.57Å; Q566-L569 PolarHBondContact O-N 2.81Å; Q566-L570 VanDerWaalsContact O-CB 3.31Å; Q566-L570 WeakPolarHBondContact O-CB 3.45Å; Q566-L570 PolarHBondContact O-N 2.83Å; Q566-L591 HydrophobicContact CB-CD2 3.85Å; Q566-L591 HydrophobicContact CG-CD2 3.99Å |
| 567 | L | 86.7 | Confident | 80 | Confident | 67 Ų | 67 | 79.6 Ų | 79.6 | 35% | 0.351 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69 | -43.7 | 173.6 | -82.6 | 162.6 | 0 | 0 | 0 | 112.2 | L562 S563 N564 L569 L570 H571 | L562-L567 HydrophobicContact CB-CD2 4.5Å; L562-L567 HydrophobicContact CB-CG 4Å; L562-L567 HydrophobicContact CD1-CD2 4.4Å; S563-L567 PolarHBondContact O-N 3.34Å; N564-L567 PolarHBondContact O-N 2.98Å; L567-L569 VanDerWaalsContact C-N 3.33Å; L567-L569 PolarHBondContact O-N 2.79Å; L567-L570 HydrophobicContact CD2-CD2 4.47Å; L567-L570 PolarHBondContact O-N 3.04Å; L567-H571 PolarHBondContact O-CD2 3.18Å; L567-H571 PolarHBondContact O-N 3.47Å |
| 568 | Q | 85.8 | Confident | 81.2 | Confident | 145 Ų | 145 | 79.6 Ų | 79.6 | 68% | 0.678 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.5 | -41.8 | 171.6 | -75.7 | -178.9 | -21.2 | 0 | 0 | 111.6 | N564 Q565 H571 S572 | N564-Q568 WeakPolarHBondContact O-CG 3.35Å; N564-Q568 PolarHBondContact O-N 3.17Å; Q565-Q568 PolarHBondContact O-N 3Å; Q568-H571 PolarHBondContact O-N 3.01Å; Q568-S572 WeakPolarHBondContact O-CB 3.35Å; Q568-S572 PolarHBondContact O-N 3.46Å; Q568-S572 PolarHBondContact O-OG 3.46Å; Q568-S572 VanDerWaalsContact O-OG 3.05Å |
| 569 | L | 90.4 | Very high | 82.3 | Confident | 75 Ų | 75 | 80.6 Ų | 80.6 | 39% | 0.393 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 175.3 | -173.7 | 57.8 | 0 | 0 | 0 | 111.5 | Q565 Q566 L567 H571 S572 L573 T587 L591 | Q565-L569 WeakPolarHBondContact O-CB 3.43Å; Q565-L569 PolarHBondContact O-N 3.4Å; Q566-L569 PolarHBondContact O-N 2.81Å; L567-L569 VanDerWaalsContact C-N 3.33Å; L567-L569 PolarHBondContact O-N 2.79Å; L569-H571 PolarHBondContact O-N 3.1Å; L569-S572 WeakPolarHBondContact CA-OG 3.42Å; L569-S572 PolarHBondContact O-N 3.42Å; L569-S572 PolarHBondContact O-OG 2.94Å; L569-L573 HydrophobicContact CD1-CD1 4.01Å; L569-L573 HydrophobicContact CD1-CG 4.12Å; L569-L573 HydrophobicContact CG-CD1 3.9Å; L569-L573 HydrophobicContact CG-CG 4.44Å; L569-L573 WeakPolarHBondContact O-CB 3.36Å; L569-L573 WeakPolarHBondContact O-CG 3.43Å; L569-L573 PolarHBondContact O-N 3.04Å; L569-T587 HydrophobicContact CD2-CG2 4.07Å; L569-L591 HydrophobicContact CB-CD1 4.31Å; L569-L591 HydrophobicContact CD2-CD1 4.11Å; L569-L591 HydrophobicContact CG-CD1 3.98Å |
| 570 | L | 89.5 | Confident | 83.1 | Confident | 16 Ų | 16 | 79 Ų | 79 | 8% | 0.084 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -54.9 | -53.8 | 174.2 | 179.6 | 72.9 | 0 | 0 | 0 | 111.5 | L562 Q566 L567 S572 L573 Q574 L588 L591 Q592 | L562-L570 HydrophobicContact CD1-CD2 4.29Å; Q566-L570 VanDerWaalsContact O-CB 3.31Å; Q566-L570 WeakPolarHBondContact O-CB 3.45Å; Q566-L570 PolarHBondContact O-N 2.83Å; L567-L570 HydrophobicContact CD2-CD2 4.47Å; L567-L570 PolarHBondContact O-N 3.04Å; L570-S572 PolarHBondContact O-N 3.09Å; L570-L573 PolarHBondContact O-N 2.97Å; L570-Q574 WeakPolarHBondContact O-CG 3.39Å; L570-Q574 PolarHBondContact O-N 3.05Å; L570-L588 HydrophobicContact CD1-CD1 4.04Å; L570-L591 HydrophobicContact CB-CB 4.48Å; L570-L591 HydrophobicContact CB-CD1 4.33Å; L570-L591 HydrophobicContact CD1-CB 3.82Å; L570-Q592 HydrophobicContact CD1-CG 3.8Å |
| 571 | H | 85.8 | Confident | 83.7 | Confident | 126 Ų | 126 | 75.7 Ų | 75.7 | 58% | 0.583 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -60.5 | -44.1 | 179.2 | -86.6 | -120.5 | 0 | 0 | 0 | 112.5 | L567 Q568 L569 L573 Q574 A575 | L567-H571 PolarHBondContact O-CD2 3.18Å; L567-H571 PolarHBondContact O-N 3.47Å; Q568-H571 PolarHBondContact O-N 3.01Å; L569-H571 PolarHBondContact O-N 3.1Å; H571-L573 VanDerWaalsContact C-N 3.33Å; H571-L573 PolarHBondContact O-N 3.12Å; H571-Q574 PolarHBondContact O-N 3.28Å; H571-A575 WeakPolarHBondContact O-CB 3.22Å; H571-A575 PolarHBondContact O-N 3.45Å |
| 572 | S | 84.9 | Confident | 83.5 | Confident | 50 Ų | 50 | 76.4 Ų | 76.4 | 35% | 0.35 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.7 | -31.9 | 179.5 | 64.4 | 0 | 0 | 0 | 0 | 113.5 | Q568 L569 L570 Q576 | Q568-S572 WeakPolarHBondContact O-CB 3.35Å; Q568-S572 PolarHBondContact O-N 3.46Å; Q568-S572 PolarHBondContact O-OG 3.46Å; Q568-S572 VanDerWaalsContact O-OG 3.05Å; L569-S572 WeakPolarHBondContact CA-OG 3.42Å; L569-S572 PolarHBondContact O-N 3.42Å; L569-S572 PolarHBondContact O-OG 2.94Å; L570-S572 PolarHBondContact O-N 3.09Å; S572-Q576 WeakPolarHBondContact O-CG 3.29Å; S572-Q576 PolarHBondContact O-NE2 3.16Å; S572-Q576 VanDerWaalsContact O-NE2 3.08Å |
| 573 | L | 87.7 | Confident | 83.4 | Confident | 5 Ų | 5 | 79.4 Ų | 79.4 | 3% | 0.026 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -74.7 | -43 | 173.6 | -67.9 | 170.1 | 0 | 0 | 0 | 111 | L569 L570 H571 A575 Q576 L580 Q584 T587 L588 L591 | L569-L573 HydrophobicContact CD1-CD1 4.01Å; L569-L573 HydrophobicContact CD1-CG 4.12Å; L569-L573 HydrophobicContact CG-CD1 3.9Å; L569-L573 HydrophobicContact CG-CG 4.44Å; L569-L573 WeakPolarHBondContact O-CB 3.36Å; L569-L573 WeakPolarHBondContact O-CG 3.43Å; L569-L573 PolarHBondContact O-N 3.04Å; L570-L573 PolarHBondContact O-N 2.97Å; H571-L573 VanDerWaalsContact C-N 3.33Å; H571-L573 PolarHBondContact O-N 3.12Å; L573-A575 VanDerWaalsContact C-N 3.3Å; L573-A575 PolarHBondContact O-N 2.86Å; L573-Q576 PolarHBondContact O-N 3.24Å; L573-Q576 VanDerWaalsContact O-N 3.11Å; L573-L580 HydrophobicContact CB-CD2 4.16Å; L573-L580 HydrophobicContact CD2-CD2 3.65Å; L573-Q584 HydrophobicContact CD2-CB 3.86Å; L573-Q584 HydrophobicContact CD2-CG 3.97Å; L573-T587 HydrophobicContact CD1-CG2 3.98Å; L573-L588 HydrophobicContact CB-CB 4.42Å; L573-L588 HydrophobicContact CB-CD1 3.84Å; L573-L588 HydrophobicContact CD1-CB 4.3Å; L573-L591 HydrophobicContact CD1-CD1 4.1Å |
| 574 | Q | 85.3 | Confident | 83.2 | Confident | 98 Ų | 98 | 79.3 Ų | 79.3 | 46% | 0.458 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.2 | -40.7 | 174.2 | -72.4 | 178 | -68.7 | 0 | 0 | 111.8 | L570 H571 Q576 G577 L588 | L570-Q574 WeakPolarHBondContact O-CG 3.39Å; L570-Q574 PolarHBondContact O-N 3.05Å; H571-Q574 PolarHBondContact O-N 3.28Å; Q574-Q576 PolarHBondContact O-N 3.1Å; Q574-Q576 VanDerWaalsContact O-N 3.17Å; Q574-G577 PolarHBondContact O-N 3.5Å; Q574-L588 HydrophobicContact CG-CD1 3.74Å |
| 575 | A | 79 | Confident | 83.3 | Confident | 83 Ų | 83 | 79.7 Ų | 79.7 | 69% | 0.686 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | H571 L573 | H571-A575 WeakPolarHBondContact O-CB 3.22Å; H571-A575 PolarHBondContact O-N 3.45Å; L573-A575 VanDerWaalsContact C-N 3.3Å; L573-A575 PolarHBondContact O-N 2.86Å |
| 576 | Q | 77.6 | Confident | 83.3 | Confident | 78 Ų | 78 | 78.8 Ų | 78.8 | 36% | 0.364 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -13.2 | 178.2 | -73.5 | 170.2 | 38.9 | 0 | 0 | 113.8 | S572 L573 Q574 S578 C579 L580 Q584 | S572-Q576 WeakPolarHBondContact O-CG 3.29Å; S572-Q576 PolarHBondContact O-NE2 3.16Å; S572-Q576 VanDerWaalsContact O-NE2 3.08Å; L573-Q576 PolarHBondContact O-N 3.24Å; L573-Q576 VanDerWaalsContact O-N 3.11Å; Q574-Q576 PolarHBondContact O-N 3.1Å; Q574-Q576 VanDerWaalsContact O-N 3.17Å; Q576-S578 PolarHBondContact O-N 3.36Å; Q576-C579 PolarHBondContact O-N 3.24Å; Q576-L580 HydrophobicContact CB-CD2 3.9Å; Q576-L580 HydrophobicContact CB-CG 4.23Å; Q576-Q584 VanDerWaalsContact OE1-NE2 3.11Å |
| 577 | G | 72.1 | Confident | 83.3 | Confident | 46 Ų | 46 | 78.3 Ų | 78.3 | 47% | 0.474 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | 54.4 | -130.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q574 C579 L580 | Q574-G577 PolarHBondContact O-N 3.5Å; G577-C579 PolarHBondContact O-N 2.94Å; G577-L580 WeakPolarHBondContact O-CD1 3.21Å; G577-L580 WeakPolarHBondContact O-CG 3.45Å |
| 578 | S | 64 | Low | 83.5 | Confident | 109 Ų | 109 | 76.3 Ų | 76.3 | 76% | 0.762 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -67.5 | -15.9 | -176.2 | 51.1 | 0 | 0 | 0 | 0 | 115 | Q576 L580 R585 | Q576-S578 PolarHBondContact O-N 3.36Å; S578-L580 VanDerWaalsContact C-N 3.27Å; S578-L580 PolarHBondContact O-N 3.43Å; S578-R585 PolarHBondContact O-NH2 3.14Å |
| 579 | C | 78.1 | Confident | 83.4 | Confident | 106 Ų | 106 | 72 Ų | 72 | 72% | 0.716 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -79 | 2.1 | -177.8 | -68.7 | 0 | 0 | 0 | 0 | 115 | Q576 G577 T581 | Q576-C579 PolarHBondContact O-N 3.24Å; G577-C579 PolarHBondContact O-N 2.94Å; C579-T581 PolarHBondContact O-N 3.32Å |
| 580 | L | 82.6 | Confident | 83.4 | Confident | 13 Ų | 13 | 73.5 Ų | 73.5 | 7% | 0.068 | 44% | 0.435 | C | S | . | . | trans | -66.8 | 128.4 | -179.9 | -67.3 | 165 | 0 | 0 | 0 | 112.4 | L573 Q576 G577 S578 Q584 R585 L588 | L573-L580 HydrophobicContact CB-CD2 4.16Å; L573-L580 HydrophobicContact CD2-CD2 3.65Å; Q576-L580 HydrophobicContact CB-CD2 3.9Å; Q576-L580 HydrophobicContact CB-CG 4.23Å; G577-L580 WeakPolarHBondContact O-CD1 3.21Å; G577-L580 WeakPolarHBondContact O-CG 3.45Å; S578-L580 VanDerWaalsContact C-N 3.27Å; S578-L580 PolarHBondContact O-N 3.43Å; L580-Q584 HydrophobicContact CB-CB 4.28Å; L580-Q584 HydrophobicContact CD2-CB 3.82Å; L580-R585 HydrophobicContact CB-CG 3.66Å; L580-R585 HydrophobicContact CD1-CG 4.5Å; L580-R585 PolarHBondContact O-NE 3.04Å; L580-R585 PolarHBondContact O-NH2 2.89Å; L580-L588 HydrophobicContact CD1-CD2 3.88Å | ||
| 581 | T | 87.2 | Confident | 83.5 | Confident | 79 Ų | 79 | 73.2 Ų | 73.2 | 49% | 0.485 | 43% | 0.434 | S | S | . | . | trans | -66.9 | 162.8 | 169 | 63 | 0 | 0 | 0 | 0 | 111.9 | C579 S583 Q584 R585 | C579-T581 PolarHBondContact O-N 3.32Å; T581-S583 VanDerWaalsContact C-N 3.33Å; T581-S583 PolarHBondContact O-N 3.26Å; T581-Q584 WeakPolarHBondContact O-CB 3.19Å; T581-Q584 PolarHBondContact O-N 2.97Å; T581-Q584 VanDerWaalsContact OG1-CG 3.31Å; T581-Q584 WeakPolarHBondContact OG1-CG 3.3Å; T581-Q584 PolarHBondContact OG1-OE1 2.85Å; T581-R585 WeakPolarHBondContact O-CG 3.41Å; T581-R585 PolarHBondContact O-N 2.83Å | ||
| 582 | A | 77.8 | Confident | 83.7 | Confident | 84 Ų | 84 | 71.2 Ų | 71.2 | 69% | 0.694 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -55.1 | -44 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q584 R585 Q586 | A582-Q584 PolarHBondContact O-N 3.27Å; A582-R585 PolarHBondContact O-N 3.34Å; A582-Q586 PolarHBondContact O-N 2.87Å |
| 583 | S | 84.5 | Confident | 83.7 | Confident | 82 Ų | 82 | 72.2 Ų | 72.2 | 57% | 0.573 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -61.9 | -42.4 | 175.4 | 178.1 | 0 | 0 | 0 | 0 | 112.4 | T581 Q586 T587 | T581-S583 VanDerWaalsContact C-N 3.33Å; T581-S583 PolarHBondContact O-N 3.26Å; S583-Q586 PolarHBondContact O-N 3.28Å; S583-T587 WeakPolarHBondContact O-CB 3.19Å; S583-T587 PolarHBondContact O-N 3.09Å; S583-T587 PolarHBondContact O-OG1 3.36Å |
| 584 | Q | 88 | Confident | 83.7 | Confident | 54 Ų | 54 | 74.6 Ų | 74.6 | 25% | 0.252 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 176.3 | -72.8 | 173 | -60.6 | 0 | 0 | 112.4 | L573 Q576 L580 T581 A582 T587 L588 | L573-Q584 HydrophobicContact CD2-CB 3.86Å; L573-Q584 HydrophobicContact CD2-CG 3.97Å; Q576-Q584 VanDerWaalsContact OE1-NE2 3.11Å; L580-Q584 HydrophobicContact CB-CB 4.28Å; L580-Q584 HydrophobicContact CD2-CB 3.82Å; T581-Q584 WeakPolarHBondContact O-CB 3.19Å; T581-Q584 PolarHBondContact O-N 2.97Å; T581-Q584 VanDerWaalsContact OG1-CG 3.31Å; T581-Q584 WeakPolarHBondContact OG1-CG 3.3Å; T581-Q584 PolarHBondContact OG1-OE1 2.85Å; A582-Q584 PolarHBondContact O-N 3.27Å; Q584-T587 PolarHBondContact O-N 2.84Å; Q584-L588 WeakPolarHBondContact O-CB 3.49Å; Q584-L588 PolarHBondContact O-N 3.14Å |
| 585 | R | 85.7 | Confident | 83.5 | Confident | 142 Ų | 142 | 71.7 Ų | 71.7 | 54% | 0.536 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 173.8 | -66 | -179.6 | -163.7 | -155.3 | -0.5 | 111.9 | S578 L580 T581 A582 T587 L588 S589 | S578-R585 PolarHBondContact O-NH2 3.14Å; L580-R585 HydrophobicContact CB-CG 3.66Å; L580-R585 HydrophobicContact CD1-CG 4.5Å; L580-R585 PolarHBondContact O-NE 3.04Å; L580-R585 PolarHBondContact O-NH2 2.89Å; T581-R585 WeakPolarHBondContact O-CG 3.41Å; T581-R585 PolarHBondContact O-N 2.83Å; A582-R585 PolarHBondContact O-N 3.34Å; R585-T587 VanDerWaalsContact C-N 3.33Å; R585-L588 PolarHBondContact O-N 2.92Å; R585-S589 WeakPolarHBondContact O-CB 3.46Å; R585-S589 PolarHBondContact O-N 3.24Å |
| 586 | Q | 86.6 | Confident | 83.6 | Confident | 137 Ų | 137 | 73.7 Ų | 73.7 | 64% | 0.64 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.9 | -37.7 | 175.8 | -166.6 | 172.9 | 20.2 | 0 | 0 | 111.7 | A582 S583 S589 N590 | A582-Q586 PolarHBondContact O-N 2.87Å; S583-Q586 PolarHBondContact O-N 3.28Å; Q586-S589 PolarHBondContact O-N 2.9Å; Q586-N590 PolarHBondContact O-N 3Å |
| 587 | T | 89.3 | Confident | 83.8 | Confident | 50 Ų | 50 | 77.9 Ų | 77.9 | 31% | 0.307 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 174.7 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | L569 L573 S583 Q584 R585 S589 N590 L591 | L569-T587 HydrophobicContact CD2-CG2 4.07Å; L573-T587 HydrophobicContact CD1-CG2 3.98Å; S583-T587 WeakPolarHBondContact O-CB 3.19Å; S583-T587 PolarHBondContact O-N 3.09Å; S583-T587 PolarHBondContact O-OG1 3.36Å; Q584-T587 PolarHBondContact O-N 2.84Å; R585-T587 VanDerWaalsContact C-N 3.33Å; T587-S589 PolarHBondContact O-N 3.41Å; T587-N590 PolarHBondContact O-N 3.05Å; T587-L591 HydrophobicContact CG2-CD1 4.1Å; T587-L591 VanDerWaalsContact O-CG 3.3Å; T587-L591 WeakPolarHBondContact O-CG 3.09Å; T587-L591 PolarHBondContact O-N 2.85Å |
| 588 | L | 91.8 | Very high | 84.4 | Confident | 25 Ų | 25 | 79.6 Ų | 79.6 | 13% | 0.131 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -55.6 | -50.7 | 173.9 | 178.9 | 74.1 | 0 | 0 | 0 | 111.2 | L570 L573 Q574 L580 Q584 R585 N590 L591 Q592 | L570-L588 HydrophobicContact CD1-CD1 4.04Å; L573-L588 HydrophobicContact CB-CB 4.42Å; L573-L588 HydrophobicContact CB-CD1 3.84Å; L573-L588 HydrophobicContact CD1-CB 4.3Å; Q574-L588 HydrophobicContact CG-CD1 3.74Å; L580-L588 HydrophobicContact CD1-CD2 3.88Å; Q584-L588 WeakPolarHBondContact O-CB 3.49Å; Q584-L588 PolarHBondContact O-N 3.14Å; R585-L588 PolarHBondContact O-N 2.92Å; L588-N590 VanDerWaalsContact C-N 3.34Å; L588-N590 PolarHBondContact O-N 3.36Å; L588-L591 PolarHBondContact O-N 3.44Å; L588-Q592 HydrophobicContact CD1-CG 4.42Å; L588-Q592 HydrophobicContact CG-CG 4.43Å; L588-Q592 WeakPolarHBondContact O-CB 3.45Å; L588-Q592 WeakPolarHBondContact O-CG 3.26Å; L588-Q592 PolarHBondContact O-N 3.09Å |
| 589 | S | 84.4 | Confident | 85.1 | Confident | 54 Ų | 54 | 80.2 Ų | 80.2 | 38% | 0.378 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.9 | -38.9 | -179.4 | -178.4 | 0 | 0 | 0 | 0 | 112.9 | R585 Q586 T587 N593 | R585-S589 WeakPolarHBondContact O-CB 3.46Å; R585-S589 PolarHBondContact O-N 3.24Å; Q586-S589 PolarHBondContact O-N 2.9Å; T587-S589 PolarHBondContact O-N 3.41Å; S589-N593 WeakPolarHBondContact O-CB 3.35Å; S589-N593 PolarHBondContact O-N 3.05Å; S589-N593 PolarHBondContact O-ND2 3.12Å |
| 590 | N | 89.7 | Confident | 84.9 | Confident | 107 Ų | 107 | 81 Ų | 81 | 57% | 0.572 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.6 | -45.5 | 174.2 | -79.7 | -22.5 | 0 | 0 | 0 | 112.2 | Q586 T587 L588 N593 Q594 | Q586-N590 PolarHBondContact O-N 3Å; T587-N590 PolarHBondContact O-N 3.05Å; L588-N590 VanDerWaalsContact C-N 3.34Å; L588-N590 PolarHBondContact O-N 3.36Å; N590-N593 PolarHBondContact O-N 3.4Å; N590-Q594 PolarHBondContact O-N 2.67Å |
| 591 | L | 92.1 | Very high | 84.9 | Confident | 10 Ų | 10 | 84 Ų | 84 | 5% | 0.052 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 178.7 | -65.2 | 166.8 | 0 | 0 | 0 | 111.3 | L562 Q566 L569 L570 L573 T587 L588 Q594 A595 | L562-L591 HydrophobicContact CD2-CB 4.4Å; L562-L591 HydrophobicContact CD2-CD2 3.65Å; Q566-L591 HydrophobicContact CB-CD2 3.85Å; Q566-L591 HydrophobicContact CG-CD2 3.99Å; L569-L591 HydrophobicContact CB-CD1 4.31Å; L569-L591 HydrophobicContact CD2-CD1 4.11Å; L569-L591 HydrophobicContact CG-CD1 3.98Å; L570-L591 HydrophobicContact CB-CB 4.48Å; L570-L591 HydrophobicContact CB-CD1 4.33Å; L570-L591 HydrophobicContact CD1-CB 3.82Å; L573-L591 HydrophobicContact CD1-CD1 4.1Å; T587-L591 HydrophobicContact CG2-CD1 4.1Å; T587-L591 VanDerWaalsContact O-CG 3.3Å; T587-L591 WeakPolarHBondContact O-CG 3.09Å; T587-L591 PolarHBondContact O-N 2.85Å; L588-L591 PolarHBondContact O-N 3.44Å; L591-Q594 PolarHBondContact O-N 3.26Å; L591-A595 PolarHBondContact O-N 2.86Å |
| 592 | Q | 89.7 | Confident | 84.4 | Confident | 84 Ų | 84 | 86 Ų | 86 | 39% | 0.393 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 174.5 | -72.6 | 176.1 | -40.8 | 0 | 0 | 112 | L570 L588 Q594 A595 L596 | L570-Q592 HydrophobicContact CD1-CG 3.8Å; L588-Q592 HydrophobicContact CD1-CG 4.42Å; L588-Q592 HydrophobicContact CG-CG 4.43Å; L588-Q592 WeakPolarHBondContact O-CB 3.45Å; L588-Q592 WeakPolarHBondContact O-CG 3.26Å; L588-Q592 PolarHBondContact O-N 3.09Å; Q592-Q594 PolarHBondContact O-N 3.42Å; Q592-A595 PolarHBondContact O-N 3.21Å; Q592-L596 WeakPolarHBondContact O-CB 2.98Å; Q592-L596 PolarHBondContact O-N 2.86Å |
| 593 | N | 84.2 | Confident | 84.1 | Confident | 71 Ų | 71 | 86 Ų | 86 | 38% | 0.38 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 175.1 | -91.8 | -84.2 | 0 | 0 | 0 | 112.8 | S589 N590 R597 | S589-N593 WeakPolarHBondContact O-CB 3.35Å; S589-N593 PolarHBondContact O-N 3.05Å; S589-N593 PolarHBondContact O-ND2 3.12Å; N590-N593 PolarHBondContact O-N 3.4Å; N593-R597 VanDerWaalsContact O-CG 3.29Å; N593-R597 WeakPolarHBondContact O-CG 3.4Å; N593-R597 PolarHBondContact O-N 2.93Å; N593-R597 VanDerWaalsContact O-N 3.1Å |
| 594 | Q | 88.6 | Confident | 83.5 | Confident | 54 Ų | 54 | 86.1 Ų | 86.1 | 25% | 0.252 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 175 | -175 | 178.6 | -10.5 | 0 | 0 | 111.4 | Q560 L562 N590 L591 Q592 L596 R597 Y598 | Q560-Q594 PolarHBondContact O-NE2 2.87Å; Q560-Q594 VanDerWaalsContact O-NE2 3.08Å; L562-Q594 HydrophobicContact CD2-CB 4.07Å; L562-Q594 HydrophobicContact CD2-CG 4.08Å; L562-Q594 HydrophobicContact CG-CG 4.29Å; N590-Q594 PolarHBondContact O-N 2.67Å; L591-Q594 PolarHBondContact O-N 3.26Å; Q592-Q594 PolarHBondContact O-N 3.42Å; Q594-L596 PolarHBondContact O-N 3.47Å; Q594-R597 PolarHBondContact O-N 2.89Å; Q594-Y598 PolarHBondContact O-N 2.92Å |
| 595 | A | 81 | Confident | 82.9 | Confident | 38 Ų | 38 | 87.3 Ų | 87.3 | 31% | 0.314 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.1 | -48 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L562 L591 Q592 R597 Y598 H599 | L562-A595 HydrophobicContact CD1-CB 3.8Å; L591-A595 PolarHBondContact O-N 2.86Å; Q592-A595 PolarHBondContact O-N 3.21Å; A595-R597 PolarHBondContact O-N 2.89Å; A595-Y598 PolarHBondContact O-N 2.74Å; A595-H599 PolarHBondContact O-N 3.32Å |
| 596 | L | 80.9 | Confident | 81.8 | Confident | 125 Ų | 125 | 84.4 Ų | 84.4 | 65% | 0.654 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.3 | -42.1 | -177.4 | -156.5 | 78.5 | 0 | 0 | 0 | 111.9 | Q592 Q594 H599 H600 | Q592-L596 WeakPolarHBondContact O-CB 2.98Å; Q592-L596 PolarHBondContact O-N 2.86Å; Q594-L596 PolarHBondContact O-N 3.47Å; L596-H599 PolarHBondContact O-N 3.03Å; L596-H600 WeakPolarHBondContact O-CB 3.39Å; L596-H600 PolarHBondContact O-N 2.83Å |
| 597 | R | 81.7 | Confident | 80.5 | Confident | 166 Ų | 166 | 84.1 Ų | 84.1 | 63% | 0.626 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.3 | -39.4 | 175 | -71.7 | 174.5 | -173.7 | -160.3 | 1.8 | 112.1 | V559 N593 Q594 A595 H600 Y601 | V559-R597 HydrophobicContact CG1-CB 4.06Å; V559-R597 HydrophobicContact CG2-CB 4.43Å; N593-R597 VanDerWaalsContact O-CG 3.29Å; N593-R597 WeakPolarHBondContact O-CG 3.4Å; N593-R597 PolarHBondContact O-N 2.93Å; N593-R597 VanDerWaalsContact O-N 3.1Å; Q594-R597 PolarHBondContact O-N 2.89Å; A595-R597 PolarHBondContact O-N 2.89Å; R597-H600 PolarHBondContact O-N 2.88Å; R597-Y601 WeakPolarHBondContact O-CB 3.5Å; R597-Y601 PolarHBondContact O-N 3.25Å |
| 598 | Y | 84.8 | Confident | 78.6 | Confident | 82 Ų | 82 | 88.3 Ų | 88.3 | 32% | 0.322 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.1 | -42.6 | 177.1 | -175.3 | -113.7 | 0 | 0 | 0 | 112.1 | V559 P561 Q594 A595 H600 Y601 K602 | V559-Y598 HydrophobicContact CB-CD2 4.44Å; V559-Y598 HydrophobicContact CG1-CD2 4.43Å; V559-Y598 WeakPolarHBondContact O-CD2 3.33Å; V559-Y598 WeakPolarHBondContact O-CE2 3.4Å; P561-Y598 HydrophobicContact CB-CD1 4.15Å; P561-Y598 HydrophobicContact CB-CD2 4.37Å; P561-Y598 HydrophobicContact CB-CE1 3.84Å; P561-Y598 HydrophobicContact CB-CE2 4.09Å; P561-Y598 HydrophobicContact CB-CG 4.4Å; P561-Y598 HydrophobicContact CG-CE2 4.32Å; Q594-Y598 PolarHBondContact O-N 2.92Å; A595-Y598 PolarHBondContact O-N 2.74Å; Y598-H600 PolarHBondContact O-N 3.31Å; Y598-Y601 WeakPolarHBondContact O-CB 3.5Å; Y598-Y601 PolarHBondContact O-N 3.34Å; Y598-K602 PolarHBondContact O-N 3.07Å |
| 599 | H | 77.4 | Confident | 76.2 | Confident | 122 Ų | 122 | 93.1 Ų | 93.1 | 57% | 0.565 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60.7 | -44.4 | 175.3 | -168.8 | -91 | 0 | 0 | 0 | 111.9 | A595 L596 Y601 K602 L603 | A595-H599 PolarHBondContact O-N 3.32Å; L596-H599 PolarHBondContact O-N 3.03Å; H599-Y601 PolarHBondContact O-N 3.35Å; H599-K602 PolarHBondContact O-N 3.5Å; H599-L603 PolarHBondContact O-N 3.25Å |
| 600 | H | 74.7 | Confident | 74 | Confident | 122 Ų | 122 | 97.2 Ų | 97.2 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.7 | -38 | 178.1 | -147 | 89.7 | 0 | 0 | 0 | 112.4 | L596 R597 Y598 L603 I604 | L596-H600 WeakPolarHBondContact O-CB 3.39Å; L596-H600 PolarHBondContact O-N 2.83Å; R597-H600 PolarHBondContact O-N 2.88Å; Y598-H600 PolarHBondContact O-N 3.31Å; H600-L603 PolarHBondContact O-N 2.82Å; H600-I604 WeakPolarHBondContact O-CG1 2.94Å; H600-I604 PolarHBondContact O-N 3.31Å |
| 601 | Y | 82.4 | Confident | 71.3 | Confident | 77 Ų | 77 | 100.8 Ų | 100.8 | 30% | 0.302 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 171.3 | 173.5 | -101.8 | 0 | 0 | 0 | 112 | R597 Y598 H599 I604 Q605 | R597-Y601 WeakPolarHBondContact O-CB 3.5Å; R597-Y601 PolarHBondContact O-N 3.25Å; Y598-Y601 WeakPolarHBondContact O-CB 3.5Å; Y598-Y601 PolarHBondContact O-N 3.34Å; H599-Y601 PolarHBondContact O-N 3.35Å; Y601-I604 PolarHBondContact O-N 2.75Å; Y601-Q605 HydrophobicContact CE1-CG 4.23Å; Y601-Q605 PolarHBondContact O-N 2.73Å; Y601-Q605 VanDerWaalsContact O-N 3.12Å; Y601-Q605 PolarHBondContact OH-NE2 3.15Å |
| 602 | K | 78 | Confident | 68.4 | Low | 121 Ų | 121 | 105.8 Ų | 105.8 | 53% | 0.526 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.7 | -39.3 | 178.1 | -139 | -166.5 | -176.9 | -162.8 | 0 | 112.8 | Y598 H599 I604 Q605 N606 | Y598-K602 PolarHBondContact O-N 3.07Å; H599-K602 PolarHBondContact O-N 3.5Å; K602-I604 VanDerWaalsContact C-N 3.33Å; K602-I604 PolarHBondContact O-N 2.78Å; K602-Q605 WeakPolarHBondContact O-CB 3.39Å; K602-Q605 PolarHBondContact O-N 3.4Å; K602-N606 PolarHBondContact O-N 2.83Å; K602-N606 PolarHBondContact O-OD1 3.34Å |
| 603 | L | 71.2 | Confident | 65.4 | Low | 84 Ų | 84 | 106.7 Ų | 106.7 | 44% | 0.44 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 173.3 | -88 | 165 | 0 | 0 | 0 | 112.5 | H599 H600 Q605 N606 Q607 | H599-L603 PolarHBondContact O-N 3.25Å; H600-L603 PolarHBondContact O-N 2.82Å; L603-Q605 VanDerWaalsContact C-N 3.35Å; L603-N606 PolarHBondContact O-N 3.48Å; L603-Q607 PolarHBondContact O-N 2.84Å |
| 604 | I | 72.1 | Confident | 62.5 | Low | 83 Ų | 83 | 113 Ų | 113 | 43% | 0.426 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.1 | -33.6 | 178.2 | -67.5 | 169.4 | 0 | 0 | 0 | 111.7 | H600 Y601 K602 K608 | H600-I604 WeakPolarHBondContact O-CG1 2.94Å; H600-I604 PolarHBondContact O-N 3.31Å; Y601-I604 PolarHBondContact O-N 2.75Å; K602-I604 VanDerWaalsContact C-N 3.33Å; K602-I604 PolarHBondContact O-N 2.78Å; I604-K608 WeakPolarHBondContact O-CG 3.45Å; I604-K608 PolarHBondContact O-N 2.91Å |
| 605 | Q | 73.9 | Confident | 59.4 | Low | 79 Ų | 79 | 115.9 Ų | 115.9 | 37% | 0.369 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.3 | -50.3 | 171.6 | -75.6 | -74.1 | 6.5 | 0 | 0 | 111.5 | Y601 K602 L603 Q607 K608 Q609 | Y601-Q605 HydrophobicContact CE1-CG 4.23Å; Y601-Q605 PolarHBondContact O-N 2.73Å; Y601-Q605 VanDerWaalsContact O-N 3.12Å; Y601-Q605 PolarHBondContact OH-NE2 3.15Å; K602-Q605 WeakPolarHBondContact O-CB 3.39Å; K602-Q605 PolarHBondContact O-N 3.4Å; L603-Q605 VanDerWaalsContact C-N 3.35Å; Q605-Q607 VanDerWaalsContact C-N 3.34Å; Q605-Q607 PolarHBondContact O-N 3.14Å; Q605-K608 WeakPolarHBondContact O-CB 3.48Å; Q605-K608 PolarHBondContact O-N 3.24Å; Q605-Q609 PolarHBondContact O-N 3.35Å |
| 606 | N | 62.6 | Low | 56.7 | Low | 81 Ų | 81 | 117.8 Ų | 117.8 | 43% | 0.433 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.1 | -41.6 | 179 | -73.2 | 24.6 | 0 | 0 | 0 | 112.1 | K602 L603 K608 Q609 L610 | K602-N606 PolarHBondContact O-N 2.83Å; K602-N606 PolarHBondContact O-OD1 3.34Å; L603-N606 PolarHBondContact O-N 3.48Å; N606-K608 VanDerWaalsContact C-N 3.25Å; N606-K608 PolarHBondContact O-N 3.47Å; N606-Q609 PolarHBondContact O-N 2.85Å; N606-L610 WeakPolarHBondContact O-CD1 3.32Å; N606-L610 PolarHBondContact O-N 3.4Å; N606-L610 VanDerWaalsContact O-N 3.14Å |
| 607 | Q | 59 | Low | 54 | Low | 132 Ų | 132 | 117.4 Ų | 117.4 | 62% | 0.617 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.6 | -23.8 | 175.8 | -75.8 | -168.1 | 1.5 | 0 | 0 | 114 | L603 Q605 | L603-Q607 PolarHBondContact O-N 2.84Å; Q605-Q607 VanDerWaalsContact C-N 3.34Å; Q605-Q607 PolarHBondContact O-N 3.14Å |
| 608 | K | 49.5 | Very low | 51.1 | Low | 138 Ų | 138 | 116.4 Ų | 116.4 | 60% | 0.6 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -75 | -39.5 | 172.4 | -76.7 | -179.3 | 176.7 | -174.8 | 0 | 111.7 | I604 Q605 N606 K611 | I604-K608 WeakPolarHBondContact O-CG 3.45Å; I604-K608 PolarHBondContact O-N 2.91Å; Q605-K608 WeakPolarHBondContact O-CB 3.48Å; Q605-K608 PolarHBondContact O-N 3.24Å; N606-K608 VanDerWaalsContact C-N 3.25Å; N606-K608 PolarHBondContact O-N 3.47Å; K608-K611 PolarHBondContact O-N 3.05Å |
| 609 | Q | 43.1 | Very low | 48.2 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 59% | 0.589 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65 | -38.3 | 176.2 | -70.8 | -177.5 | -33.1 | 0 | 0 | 112.7 | Q605 N606 K611 T612 | Q605-Q609 PolarHBondContact O-N 3.35Å; N606-Q609 PolarHBondContact O-N 2.85Å; Q609-K611 PolarHBondContact O-N 3.44Å; Q609-T612 PolarHBondContact O-N 2.9Å; Q609-T612 PolarHBondContact O-OG1 3.49Å |
| 610 | L | 37.6 | Very low | 45.6 | Very low | 139 Ų | 139 | 122.1 Ų | 122.1 | 73% | 0.728 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -16.9 | 174.7 | -92.6 | 78.5 | 0 | 0 | 0 | 114.1 | N606 | N606-L610 WeakPolarHBondContact O-CD1 3.32Å; N606-L610 PolarHBondContact O-N 3.4Å; N606-L610 VanDerWaalsContact O-N 3.14Å |
| 611 | K | 33.3 | Very low | 43 | Very low | 183 Ų | 183 | 123.2 Ų | 123.2 | 80% | 0.796 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -7.9 | 178.9 | -78.9 | -172.9 | 174.6 | -177 | 0 | 114.5 | K608 Q609 | K608-K611 PolarHBondContact O-N 3.05Å; Q609-K611 PolarHBondContact O-N 3.44Å |
| 612 | T | 30.9 | Very low | 40.2 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 70% | 0.699 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -91 | -2.7 | 174.8 | 39.2 | 0 | 0 | 0 | 0 | 114.3 | Q609 | Q609-T612 PolarHBondContact O-N 2.9Å; Q609-T612 PolarHBondContact O-OG1 3.49Å |
| 613 | C | 25.9 | Very low | 37.5 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 70% | 0.703 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -122.1 | 51.4 | -173.1 | -58.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 614 | K | 24.6 | Very low | 35.3 | Very low | 202 Ų | 202 | 131 Ų | 131 | 88% | 0.878 | 71% | 0.709 | S | S | * | * | trans | -145.7 | 83.1 | 166.4 | -73.6 | -156.7 | 174.6 | -165.7 | 0 | 112.4 | ||||
| 615 | S | 22.4 | Very low | 32.8 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 81% | 0.811 | 72% | 0.719 | S | S | * | * | trans | -159.6 | 117.4 | 169.9 | 54.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 616 | G | 24 | Very low | 30.3 | Very low | 78 Ų | 78 | 134.4 Ų | 134.4 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | 82.5 | 146.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 617 | S | 24.5 | Very low | 28.4 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | cis | -155.4 | 165.5 | -10.4 | 49.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 618 | D | 21.6 | Very low | 26.6 | Very low | 144 Ų | 144 | 133.4 Ų | 133.4 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -69 | 158.2 | 177.8 | -43.2 | -96.2 | 0 | 0 | 0 | 113.2 | ||||
| 619 | F | 23.8 | Very low | 25.3 | Very low | 206 Ų | 206 | 132 Ų | 132 | 90% | 0.904 | 77% | 0.77 | S | S | * | * | trans | -160.4 | 164.8 | 136.3 | -112 | -71.4 | 0 | 0 | 0 | 111.4 | ||||
| 620 | T | 21.8 | Very low | 24.3 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | trans | -119.5 | 173.4 | -164.3 | 50.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 621 | D | 21.4 | Very low | 23.6 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -53.4 | 155.3 | -179.1 | -51.4 | -88.3 | 0 | 0 | 0 | 116.1 | ||||
| 622 | E | 24 | Very low | 23.6 | Very low | 193 Ų | 193 | 126.7 Ų | 126.7 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -152.8 | 168.5 | 131.3 | -134.8 | 179.4 | -145.6 | 0 | 0 | 112.6 | ||||
| 623 | T | 20.6 | Very low | 23.3 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | trans | -146.2 | 122.5 | -163.2 | 53 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 624 | V | 24.1 | Very low | 23.2 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -152.7 | 142 | 166.8 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 625 | S | 20.7 | Very low | 23.3 | Very low | 92 Ų | 92 | 127.9 Ų | 127.9 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | cis | 118.9 | 118 | -8.4 | -60.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 626 | T | 21.1 | Very low | 23.3 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | trans | 64.4 | 149.3 | 166.9 | 58 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 627 | S | 22 | Very low | 23.4 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | cis | -173.3 | 146.8 | -18.9 | 53.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 628 | A | 21.9 | Very low | 23.4 | Very low | 90 Ų | 90 | 130.9 Ų | 130.9 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | 63.7 | 128.1 | 144.2 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 629 | S | 21.9 | Very low | 23.6 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | 149.2 | 137.4 | 102.6 | 59.8 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 630 | T | 22.1 | Very low | 23.7 | Very low | 145 Ų | 145 | 126 Ų | 126 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | 44.3 | 144.5 | 150 | 54.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 631 | G | 22.9 | Very low | 23.8 | Very low | 71 Ų | 71 | 126.8 Ų | 126.8 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | cis | -175.7 | -176.3 | 7.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 632 | P | 33.8 | Very low | 24 | Very low | 121 Ų | 121 | 123.3 Ų | 123.3 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -116.6 | 172.2 | -153 | 42 | -35.4 | 0 | 0 | 0 | 117.4 | ||||
| 633 | F | 24.3 | Very low | 24.1 | Very low | 198 Ų | 198 | 122.4 Ų | 122.4 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | -157 | 155.8 | 158.4 | -108.2 | -68 | 0 | 0 | 0 | 116.7 | ||||
| 634 | H | 23.6 | Very low | 24.2 | Very low | 169 Ų | 169 | 121.6 Ų | 121.6 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | trans | -38.4 | 159.7 | -169.9 | -70.5 | -64.1 | 0 | 0 | 0 | 124.9 | ||||
| 635 | G | 26.8 | Very low | 24.2 | Very low | 77 Ų | 77 | 120 Ų | 120 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 176.7 | 107.9 | 149.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 636 | D | 23 | Very low | 24.4 | Very low | 144 Ų | 144 | 120.4 Ų | 120.4 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -84 | 161.2 | 179.4 | -60.8 | -83 | 0 | 0 | 0 | 113.4 | ||||
| 637 | T | 26.3 | Very low | 24.5 | Very low | 135 Ų | 135 | 117 Ų | 117 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | -174.1 | 167.8 | 72.2 | -51.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 638 | S | 24.3 | Very low | 24.6 | Very low | 95 Ų | 95 | 124.1 Ų | 124.1 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | trans | -75.6 | 176.7 | -172.9 | 63.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 639 | V | 26.4 | Very low | 24.6 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | -156.9 | 143.9 | 84.8 | 156.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 640 | T | 24.2 | Very low | 25.1 | Very low | 116 Ų | 116 | 126 Ų | 126 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | trans | -47.7 | 176.7 | 175.6 | 58.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 641 | T | 24.8 | Very low | 25.1 | Very low | 136 Ų | 136 | 124.4 Ų | 124.4 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | cis | -155.7 | 149.2 | 27.4 | 44.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 642 | G | 25 | Very low | 25.1 | Very low | 71 Ų | 71 | 126 Ų | 126 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | 114.6 | 164 | 147.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 643 | I | 26.8 | Very low | 24.7 | Very low | 173 Ų | 173 | 127 Ų | 127 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | cis | -157.4 | 170.8 | -14.4 | -125 | 172.5 | 0 | 0 | 0 | 112.3 | ||||
| 644 | S | 23.1 | Very low | 24.6 | Very low | 101 Ų | 101 | 124.3 Ų | 124.3 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -90.6 | 168.9 | -173 | 54.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 645 | S | 24.3 | Very low | 24.7 | Very low | 103 Ų | 103 | 119.2 Ų | 119.2 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | cis | 176.4 | 152.4 | -17.1 | 57 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 646 | A | 23.9 | Very low | 24.5 | Very low | 100 Ų | 100 | 119.8 Ų | 119.8 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | trans | 61.8 | 156.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 647 | G | 23.1 | Very low | 24.5 | Very low | 70 Ų | 70 | 120.6 Ų | 120.6 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | cis | 163.7 | 170.3 | -10.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 648 | R | 24.2 | Very low | 24.3 | Very low | 251 Ų | 251 | 120.2 Ų | 120.2 | 95% | 0.947 | 77% | 0.772 | S | S | * | * | trans | 91.5 | 130.8 | 169.3 | -59.6 | -174.7 | 172.1 | -167.2 | -2.7 | 120.8 | ||||
| 649 | N | 21.3 | Very low | 24.3 | Very low | 120 Ų | 120 | 121.4 Ų | 121.4 | 64% | 0.642 | 78% | 0.775 | S | S | * | * | trans | -88.7 | -161.2 | 164.8 | -59.3 | -25.7 | 0 | 0 | 0 | 109.4 | N1305 | N649-N1305 PolarHBondContact ND2-OD1 2.73Š| ||
| 650 | P | 32.4 | Very low | 24.1 | Very low | 117 Ų | 117 | 121.6 Ų | 121.6 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | cis | -146.4 | -161.4 | 1.2 | 45.2 | -24 | 0 | 0 | 0 | 117.4 | ||||
| 651 | S | 22.9 | Very low | 24 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | 90.8 | 146.1 | 157.5 | 78.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 652 | S | 22.3 | Very low | 24.1 | Very low | 105 Ų | 105 | 120 Ų | 120 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | cis | -172.2 | 166.2 | -18.2 | 51.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 653 | V | 25.2 | Very low | 24.2 | Very low | 141 Ų | 141 | 120.7 Ų | 120.7 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | trans | 173 | 166.1 | 146.8 | 146.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 654 | T | 23 | Very low | 24.2 | Very low | 142 Ų | 142 | 117.3 Ų | 117.3 | 87% | 0.871 | 73% | 0.728 | S | S | * | * | trans | -136.8 | 152.7 | -160.1 | 52 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 655 | G | 25.2 | Very low | 24.2 | Very low | 61 Ų | 61 | 120.5 Ų | 120.5 | 63% | 0.629 | 73% | 0.732 | S | S | * | * | trans | 143.9 | 140.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 656 | A | 22.3 | Very low | 24.4 | Very low | 90 Ų | 90 | 123 Ų | 123 | 74% | 0.744 | 74% | 0.737 | S | S | * | * | cis | 76 | 123.2 | 31.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 657 | D | 24.7 | Very low | 24.5 | Very low | 161 Ų | 161 | 123.4 Ų | 123.4 | 86% | 0.861 | 73% | 0.725 | S | S | * | * | cis | -145.4 | -156 | 5.3 | -82.7 | -43.4 | 0 | 0 | 0 | 112.4 | ||||
| 658 | T | 21.6 | Very low | 24.6 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | trans | -85.3 | 178.6 | -176.2 | 46 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 659 | V | 23.8 | Very low | 24.8 | Very low | 120 Ų | 120 | 123.7 Ų | 123.7 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | cis | -156.8 | 165.8 | 28.8 | -138.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 660 | D | 23 | Very low | 25 | Very low | 135 Ų | 135 | 124 Ų | 124 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | 39.2 | 126.8 | 149.1 | -76.8 | -26.1 | 0 | 0 | 0 | 124.7 | ||||
| 661 | L | 22.3 | Very low | 24.5 | Very low | 132 Ų | 132 | 122.7 Ų | 122.7 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | trans | 64.3 | 134.2 | 133.8 | -61.1 | 169.8 | 0 | 0 | 0 | 122.5 | ||||
| 662 | F | 25.6 | Very low | 24.7 | Very low | 87 Ų | 87 | 124.1 Ų | 124.1 | 38% | 0.382 | 74% | 0.737 | S | S | . | * | trans | -25.1 | 148.8 | 165.2 | -64.5 | -89.1 | 0 | 0 | 0 | 118.3 | D1339 K1341 | F662-D1339 HydrophobicContact CE1-CB 4.31Å; F662-D1339 WeakPolarHBondContact CE1-O 3.17Å; F662-D1339 WeakPolarHBondContact CZ-O 3.41Å; F662-K1341 HydrophobicContact CE2-CD 3.95Å; F662-K1341 HydrophobicContact CE2-CG 3.6Å; F662-K1341 HydrophobicContact CZ-CB 4.44Å; F662-K1341 HydrophobicContact CZ-CD 3.76Å; F662-K1341 HydrophobicContact CZ-CG 3.63Å | ||
| 663 | P | 27.5 | Very low | 24.8 | Very low | 86 Ų | 86 | 124 Ų | 124 | 56% | 0.558 | 73% | 0.732 | S | S | * | * | cis | -138 | -180 | 34 | 40.7 | -22.5 | 0 | 0 | 0 | 117 | K1340 | P663-K1340 PolarHBondContact O-NZ 3.02Š| ||
| 664 | T | 25.9 | Very low | 24.7 | Very low | 101 Ų | 101 | 124.1 Ų | 124.1 | 62% | 0.62 | 73% | 0.728 | S | S | * | * | trans | 43 | 160.9 | 150 | 46.9 | 0 | 0 | 0 | 0 | 123.6 | K1340 | T664-K1340 PolarHBondContact O-NZ 3.29Š| ||
| 665 | E | 24.8 | Very low | 24.7 | Very low | 168 Ų | 168 | 122.6 Ų | 122.6 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | trans | 74.8 | 135.6 | 162.1 | -76.9 | 155.9 | -153.6 | 0 | 0 | 120.4 | ||||
| 666 | D | 28.3 | Very low | 24.6 | Very low | 155 Ų | 155 | 126.2 Ų | 126.2 | 83% | 0.829 | 74% | 0.735 | S | S | * | * | trans | 65.7 | 147.2 | 164.2 | -58 | -7.7 | 0 | 0 | 0 | 124.1 | ||||
| 667 | D | 26.2 | Very low | 24.9 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 58% | 0.583 | 73% | 0.734 | S | S | * | * | trans | -74.6 | 146.1 | -166.7 | -63.4 | -70.5 | 0 | 0 | 0 | 113.8 | K251 | K251-D667 IonicContact NZ-OD1 3.28Å; K251-D667 PolarHBondContact NZ-OD1 3.28Å; K251-D667 IonicContact NZ-OD2 2.8Å; K251-D667 PolarHBondContact NZ-OD2 3.11Å | ||
| 668 | D | 24.8 | Very low | 24.9 | Very low | 154 Ų | 154 | 123.4 Ų | 123.4 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | 177.8 | 124.1 | 108.2 | -112.4 | -23.8 | 0 | 0 | 0 | 111.4 | |||||
| 669 | L | 27 | Very low | 25.1 | Very low | 174 Ų | 174 | 119.4 Ų | 119.4 | 91% | 0.911 | 72% | 0.718 | S | S | * | * | trans | -140.9 | 125.8 | 158.7 | -87.9 | -178.4 | 0 | 0 | 0 | 109.8 | ||||
| 670 | T | 25.9 | Very low | 25.3 | Very low | 127 Ų | 127 | 120.5 Ų | 120.5 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | trans | -69.5 | 144.3 | -164.3 | 46.4 | 0 | 0 | 0 | 0 | 113.7 | V672 | T670-V672 PolarHBondContact O-N 3.04Š| ||
| 671 | A | 22.5 | Very low | 25.7 | Very low | 89 Ų | 89 | 116 Ų | 116 | 74% | 0.736 | 70% | 0.696 | S | S | * | * | trans | -61.1 | 125.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | V673 | A671-V673 HydrophobicContact CB-CG2 4.31Š| ||
| 672 | V | 27.1 | Very low | 26.2 | Very low | 142 Ų | 142 | 112.1 Ų | 112.1 | 86% | 0.861 | 68% | 0.678 | S | S | * | * | trans | -92.4 | 108.7 | 160.4 | 178.7 | 0 | 0 | 0 | 0 | 106.9 | T670 | T670-V672 PolarHBondContact O-N 3.04Š| ||
| 673 | V | 23.8 | Very low | 26.6 | Very low | 104 Ų | 104 | 116.6 Ų | 116.6 | 63% | 0.63 | 70% | 0.7 | S | S | * | * | trans | -88.3 | 144.6 | -177.8 | 173.9 | 0 | 0 | 0 | 0 | 110.1 | A671 | A671-V673 HydrophobicContact CB-CG2 4.31Š| ||
| 674 | D | 24 | Very low | 26.9 | Very low | 143 Ų | 143 | 120.5 Ų | 120.5 | 77% | 0.765 | 71% | 0.711 | S | S | * | * | trans | 58.5 | 115.3 | 171.3 | -62.2 | -21.5 | 0 | 0 | 0 | 119.3 | ||||
| 675 | S | 23.2 | Very low | 27.4 | Very low | 110 Ų | 110 | 119 Ų | 119 | 77% | 0.769 | 70% | 0.699 | S | S | * | * | trans | -123.5 | 104.3 | 148 | -73 | 0 | 0 | 0 | 0 | 108.1 | G677 | S675-G677 PolarHBondContact O-N 3.31Š| ||
| 676 | P | 23.4 | Very low | 28.1 | Very low | 137 Ų | 137 | 112.4 Ų | 112.4 | 89% | 0.89 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 94 | -178.5 | 29 | -33.6 | 0 | 0 | 0 | 110.2 | ||
| 677 | G | 27.3 | Very low | 28.7 | Very low | 69 Ų | 69 | 106.5 Ų | 106.5 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -171.3 | -15.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | S675 G679 | S675-G677 PolarHBondContact O-N 3.31Å; G677-G679 PolarHBondContact O-N 2.92Å |
| 678 | S | 25.3 | Very low | 29.5 | Very low | 122 Ų | 122 | 105.1 Ų | 105.1 | 85% | 0.853 | 63% | 0.634 | S | S | * | * | trans | -78.5 | 55.1 | 177.4 | 60.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 679 | G | 25.1 | Very low | 30.5 | Very low | 44 Ų | 44 | 98.9 Ų | 98.9 | 45% | 0.454 | 60% | 0.6 | S | S | . | * | trans | -94.2 | 119.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K31 G677 | K31-G679 PolarHBondContact NZ-O 2.91Å; G677-G679 PolarHBondContact O-N 2.92Å | ||
| 680 | N | 28.2 | Very low | 31.6 | Very low | 143 Ų | 143 | 91.4 Ų | 91.4 | 77% | 0.765 | 56% | 0.562 | S | S | * | * | trans | 41.5 | 86.5 | 157.4 | -53.3 | -10.5 | 0 | 0 | 0 | 116.2 | K31 | K31-N680 WeakPolarHBondContact CD-O 3.38Å; K31-N680 WeakPolarHBondContact CE-O 3.23Å; K31-N680 VanDerWaalsContact NZ-C 3.3Å; K31-N680 PolarHBondContact NZ-O 3.29Å | ||
| 681 | L | 30.7 | Very low | 32.5 | Very low | 41 Ų | 41 | 86.4 Ų | 86.4 | 22% | 0.215 | 53% | 0.53 | C | S | . | . | trans | -76.4 | 156.2 | 144.9 | -88.9 | 165.4 | 0 | 0 | 0 | 108.3 | K31 T216 E683 L686 | K31-L681 HydrophobicContact CD-CD2 4.22Å; K31-L681 HydrophobicContact CG-CD2 4.4Å; T216-L681 HydrophobicContact CG2-CD1 4.09Å; L681-E683 PolarHBondContact O-N 2.8Å; L681-L686 HydrophobicContact CB-CD1 3.92Å | ||
| 682 | P | 34.5 | Very low | 33.5 | Very low | 50 Ų | 50 | 85.7 Ų | 85.7 | 33% | 0.325 | 51% | 0.514 | S | S | . | . | trans | -57.7 | 137.4 | 170.2 | -20.8 | 33.1 | 0 | 0 | 0 | 110.6 | E684 D685 | P682-E684 PolarHBondContact O-N 3.02Å; P682-E684 VanDerWaalsContact O-N 3.15Å; P682-D685 PolarHBondContact O-N 3.02Å | ||
| 683 | E | 33.2 | Very low | 34.4 | Very low | 180 Ų | 180 | 79.5 Ų | 79.5 | 84% | 0.841 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.6 | -23.5 | 173 | -77.5 | -178.1 | 128.5 | 0 | 0 | 111.8 | L681 G687 | L681-E683 PolarHBondContact O-N 2.8Å; E683-G687 WeakPolarHBondContact O-CA 3.21Å; E683-G687 PolarHBondContact O-N 2.86Å |
| 684 | E | 34 | Very low | 35.6 | Very low | 168 Ų | 168 | 74.8 Ų | 74.8 | 79% | 0.785 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.2 | -40.1 | 176.8 | -59.6 | -172.5 | 172.2 | 0 | 0 | 113.2 | P682 F688 | P682-E684 PolarHBondContact O-N 3.02Å; P682-E684 VanDerWaalsContact O-N 3.15Å; E684-F688 WeakPolarHBondContact O-CB 3.35Å; E684-F688 PolarHBondContact O-N 3.32Å |
| 685 | D | 35.5 | Very low | 36.7 | Very low | 70 Ų | 70 | 70.1 Ų | 70.1 | 37% | 0.374 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.7 | -43.4 | 178.6 | -86.7 | -40.8 | 0 | 0 | 0 | 111.8 | P682 L689 | P682-D685 PolarHBondContact O-N 3.02Å; D685-L689 WeakPolarHBondContact O-CB 3.41Å; D685-L689 WeakPolarHBondContact O-CG 3.33Å; D685-L689 PolarHBondContact O-N 3.24Å |
| 686 | L | 40.6 | Very low | 37.7 | Very low | 30 Ų | 30 | 69.7 Ų | 69.7 | 16% | 0.157 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67.2 | -41.5 | 174.8 | -85.9 | 126.4 | 0 | 0 | 0 | 111.4 | F217 L681 L689 T690 | F217-L686 HydrophobicContact CD1-CD2 4.27Å; F217-L686 HydrophobicContact CE1-CD2 4.15Å; L681-L686 HydrophobicContact CB-CD1 3.92Å; L686-L689 PolarHBondContact O-N 3.43Å; L686-T690 WeakPolarHBondContact O-CB 3.46Å; L686-T690 WeakPolarHBondContact O-CG2 3.43Å; L686-T690 PolarHBondContact O-N 3.4Å; L686-T690 PolarHBondContact O-OG1 3.1Å |
| 687 | G | 40.2 | Very low | 38.5 | Very low | 30 Ų | 30 | 64.9 Ų | 64.9 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E683 T690 D691 | E683-G687 WeakPolarHBondContact O-CA 3.21Å; E683-G687 PolarHBondContact O-N 2.86Å; G687-T690 PolarHBondContact O-N 2.62Å; G687-D691 PolarHBondContact O-N 3.06Å |
| 688 | F | 42.7 | Very low | 39.2 | Very low | 81 Ų | 81 | 63.4 Ų | 63.4 | 36% | 0.355 | 36% | 0.357 | S | S | . | . | I | π-helix | trans | -63.4 | -45.2 | 173.2 | -178.5 | -105.7 | 0 | 0 | 0 | 111.4 | R157 E684 T690 D692 | R157-F688 VanDerWaalsContact NH1-CZ 3.27Å; E684-F688 WeakPolarHBondContact O-CB 3.35Å; E684-F688 PolarHBondContact O-N 3.32Å; F688-T690 VanDerWaalsContact C-N 3.32Å; F688-T690 PolarHBondContact O-N 2.9Å; F688-D692 HydrophobicContact CD2-CB 4.4Å |
| 689 | L | 46.2 | Very low | 39.9 | Very low | 22 Ų | 22 | 60.2 Ų | 60.2 | 12% | 0.115 | 34% | 0.343 | C | S | . | . | I | π-helix | trans | -77.9 | -9.4 | -179.9 | -70.1 | 176 | 0 | 0 | 0 | 115.2 | F156 T216 F217 D685 L686 L693 | F156-L689 HydrophobicContact CE1-CD2 4.23Å; F156-L689 HydrophobicContact CZ-CD2 4.43Å; T216-L689 HydrophobicContact CG2-CD1 4.34Å; F217-L689 HydrophobicContact CZ-CB 3.96Å; F217-L689 HydrophobicContact CZ-CD1 4.02Å; D685-L689 WeakPolarHBondContact O-CB 3.41Å; D685-L689 WeakPolarHBondContact O-CG 3.33Å; D685-L689 PolarHBondContact O-N 3.24Å; L686-L689 PolarHBondContact O-N 3.43Å; L689-L693 HydrophobicContact CD2-CD1 4.16Å; L689-L693 WeakPolarHBondContact O-CD1 3.34Å; L689-L693 WeakPolarHBondContact O-CD2 3.34Å |
| 690 | T | 49.8 | Very low | 40.4 | Very low | 18 Ų | 18 | 61.2 Ų | 61.2 | 11% | 0.11 | 34% | 0.343 | C | S | . | . | I | π-helix | trans | -110.2 | -52.2 | 176.1 | 53 | 0 | 0 | 0 | 0 | 112.6 | L686 G687 F688 L694 | L686-T690 WeakPolarHBondContact O-CB 3.46Å; L686-T690 WeakPolarHBondContact O-CG2 3.43Å; L686-T690 PolarHBondContact O-N 3.4Å; L686-T690 PolarHBondContact O-OG1 3.1Å; G687-T690 PolarHBondContact O-N 2.62Å; F688-T690 VanDerWaalsContact C-N 3.32Å; F688-T690 PolarHBondContact O-N 2.9Å; T690-L694 WeakPolarHBondContact O-CB 3.22Å; T690-L694 WeakPolarHBondContact O-CD1 3.33Å; T690-L694 PolarHBondContact O-N 3.31Å |
| 691 | D | 45 | Very low | 40.8 | Very low | 22 Ų | 22 | 56.5 Ų | 56.5 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -98 | -40.1 | -158.9 | -131 | 23.3 | 0 | 0 | 0 | 113.9 | R264 N302 K304 G687 L693 A695 | R264-D691 IonicContact CZ-OD1 2.64Å; R264-D691 IonicContact NH1-OD1 3.25Å; R264-D691 PolarHBondContact NH1-OD1 3.41Å; R264-D691 VanDerWaalsContact NH1-OD1 3.09Å; R264-D691 IonicContact NH1-OD2 2.97Å; R264-D691 IonicContact NH2-OD1 2.74Å; R264-D691 PolarHBondContact NH2-OD1 3.02Å; N302-D691 PolarHBondContact ND2-OD2 3.27Å; K304-D691 PolarHBondContact NZ-O 2.96Å; K304-D691 IonicContact NZ-OD1 3.92Å; K304-D691 IonicContact NZ-OD2 3.96Å; K304-D691 PolarHBondContact NZ-OD2 3.38Å; G687-D691 PolarHBondContact O-N 3.06Å; D691-L693 PolarHBondContact O-N 2.89Å; D691-A695 PolarHBondContact O-N 3.09Å |
| 692 | D | 43.2 | Very low | 40.8 | Very low | 73 Ų | 73 | 56 Ų | 56 | 39% | 0.39 | 32% | 0.319 | S | S | . | . | I | π-helix | trans | -62.8 | -30.1 | 166.5 | -174.6 | 61 | 0 | 0 | 0 | 111 | F688 A695 Q696 | F688-D692 HydrophobicContact CD2-CB 4.4Å; D692-A695 WeakPolarHBondContact O-CB 3.39Å; D692-A695 PolarHBondContact O-N 3.42Å; D692-Q696 WeakPolarHBondContact O-CG 3.45Å; D692-Q696 PolarHBondContact O-N 3.31Å; D692-Q696 PolarHBondContact OD2-NE2 3.02Å |
| 693 | L | 46.4 | Very low | 40.5 | Very low | 12 Ų | 12 | 56.5 Ų | 56.5 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -88.1 | -29.7 | -171.4 | -173.6 | 150.4 | 0 | 0 | 0 | 112.3 | Y190 L689 D691 A695 L697 | Y190-L693 HydrophobicContact CD1-CD1 4.17Å; Y190-L693 HydrophobicContact CD2-CD1 4.35Å; Y190-L693 HydrophobicContact CD2-CD2 3.93Å; Y190-L693 HydrophobicContact CD2-CG 4.5Å; Y190-L693 HydrophobicContact CE1-CD1 3.5Å; Y190-L693 VanDerWaalsContact CE1-CD1 3.5Å; Y190-L693 HydrophobicContact CE1-CG 4.21Å; Y190-L693 HydrophobicContact CE2-CD1 3.77Å; Y190-L693 HydrophobicContact CE2-CD2 3.34Å; Y190-L693 HydrophobicContact CE2-CG 3.65Å; Y190-L693 VanDerWaalsContact CZ-CG 3.46Å; Y190-L693 WeakPolarHBondContact OH-CD1 3.33Å; Y190-L693 VanDerWaalsContact OH-CG 3.32Å; Y190-L693 WeakPolarHBondContact OH-CG 3.34Å; L689-L693 HydrophobicContact CD2-CD1 4.16Å; L689-L693 WeakPolarHBondContact O-CD1 3.34Å; L689-L693 WeakPolarHBondContact O-CD2 3.34Å; D691-L693 PolarHBondContact O-N 2.89Å; L693-A695 VanDerWaalsContact C-N 3.35Å; L693-L697 WeakPolarHBondContact O-CG 3.43Å; L693-L697 PolarHBondContact O-N 3.36Å |
| 694 | L | 49.1 | Very low | 40.1 | Very low | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 157.3 | -101.8 | 153.2 | 0 | 0 | 0 | 111.6 | H228 Q265 T690 L697 N698 | H228-L694 WeakPolarHBondContact NE2-CD2 3.29Å; H228-L694 WeakPolarHBondContact NE2-CG 3.44Å; Q265-L694 VanDerWaalsContact NE2-CD2 3.25Å; T690-L694 WeakPolarHBondContact O-CB 3.22Å; T690-L694 WeakPolarHBondContact O-CD1 3.33Å; T690-L694 PolarHBondContact O-N 3.31Å; L694-L697 PolarHBondContact O-N 3.49Å; L694-N698 VanDerWaalsContact O-CB 3.31Å; L694-N698 WeakPolarHBondContact O-CB 3.42Å; L694-N698 PolarHBondContact O-N 3.31Å; L694-N698 PolarHBondContact O-OD1 3.03Å |
| 695 | A | 47 | Very low | 39.8 | Very low | 44 Ų | 44 | 45.3 Ų | 45.3 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | D691 D692 L693 L697 N698 G699 | D691-A695 PolarHBondContact O-N 3.09Å; D692-A695 WeakPolarHBondContact O-CB 3.39Å; D692-A695 PolarHBondContact O-N 3.42Å; L693-A695 VanDerWaalsContact C-N 3.35Å; A695-L697 VanDerWaalsContact C-N 3.3Å; A695-L697 PolarHBondContact O-N 2.97Å; A695-N698 CarbonylContact O-C 3.55Å; A695-N698 PolarHBondContact O-N 2.95Å; A695-G699 PolarHBondContact O-N 2.86Å |
| 696 | Q | 43.8 | Very low | 39.5 | Very low | 101 Ų | 101 | 47.6 Ų | 47.6 | 47% | 0.472 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.1 | -33.8 | 173.1 | -70 | 173.7 | 37.5 | 0 | 0 | 113.2 | D692 | D692-Q696 WeakPolarHBondContact O-CG 3.45Å; D692-Q696 PolarHBondContact O-N 3.31Å; D692-Q696 PolarHBondContact OD2-NE2 3.02Å |
| 697 | L | 40.6 | Very low | 38.8 | Very low | 36 Ų | 36 | 54.3 Ų | 54.3 | 19% | 0.188 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -79.6 | -34.5 | 175 | -69.4 | 167.5 | 0 | 0 | 0 | 112.6 | K193 L693 L694 A695 G699 | K193-L697 HydrophobicContact CD-CD1 4.02Å; K193-L697 VanDerWaalsContact CE-CD1 3.46Å; K193-L697 VanDerWaalsContact NZ-CD1 3.29Å; L693-L697 WeakPolarHBondContact O-CG 3.43Å; L693-L697 PolarHBondContact O-N 3.36Å; L694-L697 PolarHBondContact O-N 3.49Å; A695-L697 VanDerWaalsContact C-N 3.3Å; A695-L697 PolarHBondContact O-N 2.97Å; L697-G699 VanDerWaalsContact C-N 3.29Å; L697-G699 PolarHBondContact O-N 2.75Å |
| 698 | N | 42.5 | Very low | 38 | Very low | 38 Ų | 38 | 58.6 Ų | 58.6 | 20% | 0.203 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -81.5 | -1.4 | 176.7 | -74.7 | 19 | 0 | 0 | 0 | 113.2 | L694 A695 S700 E701 | L694-N698 VanDerWaalsContact O-CB 3.31Å; L694-N698 WeakPolarHBondContact O-CB 3.42Å; L694-N698 PolarHBondContact O-N 3.31Å; L694-N698 PolarHBondContact O-OD1 3.03Å; A695-N698 CarbonylContact O-C 3.55Å; A695-N698 PolarHBondContact O-N 2.95Å; N698-S700 CarbonylContact O-C 3.43Å; N698-S700 PolarHBondContact O-N 2.76Å; N698-E701 WeakPolarHBondContact O-CB 3.41Å; N698-E701 WeakPolarHBondContact O-CG 3.02Å; N698-E701 PolarHBondContact O-N 2.94Å |
| 699 | G | 39 | Very low | 37.2 | Very low | 56 Ų | 56 | 61 Ų | 61 | 58% | 0.577 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -54.3 | -15.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A695 L697 E701 | A695-G699 PolarHBondContact O-N 2.86Å; L697-G699 VanDerWaalsContact C-N 3.29Å; L697-G699 PolarHBondContact O-N 2.75Å; G699-E701 PolarHBondContact O-N 2.69Å |
| 700 | S | 35.3 | Very low | 36 | Very low | 64 Ų | 64 | 69.3 Ų | 69.3 | 45% | 0.448 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -67.5 | 2.3 | 165.9 | -175.6 | 0 | 0 | 0 | 0 | 114.8 | N698 A702 A703 | N698-S700 CarbonylContact O-C 3.43Å; N698-S700 PolarHBondContact O-N 2.76Å; S700-A702 PolarHBondContact O-N 3.29Å; S700-A703 WeakPolarHBondContact O-CB 3.46Å; S700-A703 PolarHBondContact O-N 2.92Å |
| 701 | E | 36.6 | Very low | 34.8 | Very low | 44 Ų | 44 | 76.8 Ų | 76.8 | 21% | 0.206 | 45% | 0.449 | C | S | . | . | G | 310 helix | trans | -57.5 | -20.7 | -176.7 | -93.8 | -173.5 | -118.6 | 0 | 0 | 114 | W268 Y307 R311 N698 G699 A703 | W268-E701 HydrophobicContact CH2-CG 4.2Å; Y307-E701 PolarHBondContact OH-OE2 2.93Å; R311-E701 IonicContact NH1-OE2 2.71Å; R311-E701 PolarHBondContact NH1-OE2 3.42Å; N698-E701 WeakPolarHBondContact O-CB 3.41Å; N698-E701 WeakPolarHBondContact O-CG 3.02Å; N698-E701 PolarHBondContact O-N 2.94Å; G699-E701 PolarHBondContact O-N 2.69Å; E701-A703 PolarHBondContact O-N 3.18Å |
| 702 | A | 32 | Very low | 33.8 | Very low | 32 Ų | 32 | 80.2 Ų | 80.2 | 26% | 0.264 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -63.1 | -25.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R407 S700 | R407-A702 PolarHBondContact NE-O 2.8Å; R407-A702 PolarHBondContact NH2-O 3.47Å; S700-A702 PolarHBondContact O-N 3.29Å |
| 703 | A | 28.6 | Very low | 32.8 | Very low | 60 Ų | 60 | 84.3 Ų | 84.3 | 50% | 0.496 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -32.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S700 E701 | S700-A703 WeakPolarHBondContact O-CB 3.46Å; S700-A703 PolarHBondContact O-N 2.92Å; E701-A703 PolarHBondContact O-N 3.18Å |
| 704 | T | 25.1 | Very low | 31.7 | Very low | 83 Ų | 83 | 93.7 Ų | 93.7 | 51% | 0.509 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -124.1 | 82.4 | -170.9 | 54.4 | 0 | 0 | 0 | 0 | 112.1 | ||
| 705 | G | 27.3 | Very low | 30.4 | Very low | 29 Ų | 29 | 99.6 Ų | 99.6 | 30% | 0.299 | 58% | 0.578 | S | S | . | * | trans | -167.4 | 142 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R407 | R407-G705 PolarHBondContact NH1-O 3.28Å; R407-G705 PolarHBondContact NH2-O 3.3Å | ||
| 706 | L | 29.3 | Very low | 29.4 | Very low | 119 Ų | 119 | 105 Ų | 105 | 62% | 0.623 | 61% | 0.607 | S | S | * | * | trans | 73.6 | 78.7 | -179 | -54 | 177.3 | 0 | 0 | 0 | 115.8 | V345 L708 | V345-L706 HydrophobicContact CG1-CD1 4.47Å; L706-L708 VanDerWaalsContact C-N 3.33Å | ||
| 707 | D | 24.6 | Very low | 28.5 | Very low | 170 Ų | 170 | 103.8 Ų | 103.8 | 91% | 0.909 | 62% | 0.622 | S | S | * | * | trans | -93.7 | 64.9 | 157.1 | -172.6 | 18.6 | 0 | 0 | 0 | 109.2 | ||||
| 708 | L | 24.9 | Very low | 27.9 | Very low | 121 Ų | 121 | 107.4 Ų | 107.4 | 63% | 0.634 | 65% | 0.65 | S | S | * | * | trans | -159.3 | 149.7 | 178.3 | -105.7 | 151.2 | 0 | 0 | 0 | 108.4 | L706 | L706-L708 VanDerWaalsContact C-N 3.33Š| ||
| 709 | V | 24.4 | Very low | 27 | Very low | 131 Ų | 131 | 111.2 Ų | 111.2 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 70.3 | 37.6 | -177.6 | -153.4 | 0 | 0 | 0 | 0 | 116 | ||
| 710 | E | 22.7 | Very low | 26.5 | Very low | 196 Ų | 196 | 113.6 Ų | 113.6 | 92% | 0.916 | 69% | 0.694 | S | S | * | * | trans | -129.1 | 61.9 | 157.9 | -160.4 | 172.4 | -132.2 | 0 | 0 | 112.9 | ||||
| 711 | L | 23.5 | Very low | 26.1 | Very low | 176 Ų | 176 | 114.1 Ų | 114.1 | 92% | 0.921 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -148.6 | 46.2 | 176.2 | -141.7 | 139.1 | 0 | 0 | 0 | 113.5 | ||
| 712 | A | 23 | Very low | 25.6 | Very low | 94 Ų | 94 | 118.9 Ų | 118.9 | 78% | 0.777 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -141.1 | 2.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 713 | L | 22.9 | Very low | 25.3 | Very low | 159 Ų | 159 | 125.9 Ų | 125.9 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -130.4 | 14.6 | -168.4 | -81.1 | 176.1 | 0 | 0 | 0 | 117.8 | ||
| 714 | F | 23.4 | Very low | 25 | Very low | 208 Ų | 208 | 132.7 Ų | 132.7 | 91% | 0.912 | 78% | 0.777 | S | S | * | * | trans | -139.2 | 76.4 | 172.2 | -74.4 | -68.7 | 0 | 0 | 0 | 114.2 | ||||
| 715 | T | 22.6 | Very low | 25.1 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | trans | -140.9 | 103.6 | 166.7 | 48.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 716 | T | 24.8 | Very low | 24.9 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 96% | 0.963 | 81% | 0.805 | S | S | * | * | trans | -179.5 | 115 | 151.1 | 14.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 717 | G | 24.8 | Very low | 24.7 | Very low | 77 Ų | 77 | 137.2 Ų | 137.2 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | 174.2 | 26.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 718 | S | 27.8 | Very low | 24.7 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | 42.8 | 94.1 | 159.8 | -58.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 719 | S | 24.3 | Very low | 24.7 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | 52.2 | 112.3 | 115.4 | 67 | 0 | 0 | 0 | 0 | 123 | |||||
| 720 | A | 28.1 | Very low | 24.7 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 88% | 0.884 | 80% | 0.801 | S | S | * | * | -147.9 | 134.7 | 121.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | |||||
| 721 | G | 28 | Very low | 24.9 | Very low | 75 Ų | 75 | 133.1 Ų | 133.1 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | cis | 119 | 59.8 | 49.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 722 | D | 25 | Very low | 25 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | 86.3 | 106.4 | 80.5 | -175.1 | 33.8 | 0 | 0 | 0 | 113.3 | |||||
| 723 | Q | 26.8 | Very low | 25.2 | Very low | 179 Ų | 179 | 134.3 Ų | 134.3 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | 178.2 | 138.1 | 121.7 | -96.4 | 177 | 27.3 | 0 | 0 | 113.4 | |||||
| 724 | R | 22.6 | Very low | 25.4 | Very low | 204 Ų | 204 | 129.8 Ų | 129.8 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | -116.2 | 162.6 | 160.7 | -149.3 | -174.5 | -169.6 | -169.5 | 4.8 | 106.3 | ||||
| 725 | P | 27.4 | Very low | 25.7 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | -149.9 | 177.8 | 95.8 | 37.8 | -20.3 | 0 | 0 | 0 | 115.1 | |||||
| 726 | T | 22.8 | Very low | 26.1 | Very low | 94 Ų | 94 | 127.7 Ų | 127.7 | 58% | 0.577 | 76% | 0.762 | S | S | * | * | trans | -111.9 | 146.8 | 175.6 | 49.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 727 | S | 24.9 | Very low | 26.3 | Very low | 105 Ų | 105 | 126.5 Ų | 126.5 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | 174.3 | 142.1 | 120.6 | 46.8 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 728 | N | 24.5 | Very low | 26.4 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | trans | 58.3 | 113.3 | 136.9 | -59 | 9.9 | 0 | 0 | 0 | 123.1 | ||||
| 729 | N | 23.8 | Very low | 26.3 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | 82.5 | 149.3 | 121.9 | -85 | 53.6 | 0 | 0 | 0 | 124.6 | |||||
| 730 | D | 25.3 | Very low | 26.3 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 65% | 0.652 | 75% | 0.746 | S | S | * | * | trans | 79.8 | 94.1 | 148.8 | -66.7 | 7.9 | 0 | 0 | 0 | 122.1 | ||||
| 731 | N | 25.9 | Very low | 26.1 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | 93.4 | 133.1 | 123.5 | -69.4 | -47.2 | 0 | 0 | 0 | 123.4 | |||||
| 732 | N | 26.8 | Very low | 25.9 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 66% | 0.658 | 74% | 0.737 | S | S | * | * | trans | 90.1 | 103.4 | 142 | -76.5 | -22.4 | 0 | 0 | 0 | 124 | ||||
| 733 | Q | 27 | Very low | 25.9 | Very low | 172 Ų | 172 | 136 Ų | 136 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | 90.9 | 143.9 | 117 | -71.1 | 173.7 | 19.7 | 0 | 0 | 122 | |||||
| 734 | G | 27.5 | Very low | 25.8 | Very low | 64 Ų | 64 | 136.4 Ų | 136.4 | 66% | 0.66 | 73% | 0.731 | S | S | * | * | trans | 121.8 | 68.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 735 | L | 29.1 | Very low | 25.8 | Very low | 147 Ų | 147 | 133 Ų | 133 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | 55.1 | 133.1 | 89.4 | -77.3 | 138 | 0 | 0 | 0 | 113.2 | |||||
| 736 | I | 31.5 | Very low | 25.6 | Very low | 148 Ų | 148 | 130.4 Ų | 130.4 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | cis | -140.3 | 139 | 34.8 | -67.2 | 171.3 | 0 | 0 | 0 | 112.4 | ||||
| 737 | N | 28.3 | Very low | 25.8 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | trans | 24.8 | 155.2 | 148.6 | -60.5 | 8.8 | 0 | 0 | 0 | 123.1 | ||||
| 738 | E | 26.6 | Very low | 25.8 | Very low | 183 Ų | 183 | 133.9 Ų | 133.9 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | cis | -123.2 | 172.2 | 14.5 | -83.5 | -166.9 | 155.4 | 0 | 0 | 115.7 | ||||
| 739 | K | 25.7 | Very low | 25.9 | Very low | 199 Ų | 199 | 132 Ų | 132 | 87% | 0.865 | 75% | 0.746 | S | S | * | * | trans | -153.9 | 163.9 | -172.8 | -94.7 | -166.7 | 177.7 | -177 | 0 | 107.7 | ||||
| 740 | S | 25.1 | Very low | 26 | Very low | 86 Ų | 86 | 131.6 Ų | 131.6 | 60% | 0.601 | 75% | 0.748 | S | S | * | * | cis | 175.2 | 162.5 | -14.5 | 55.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 741 | C | 24.3 | Very low | 26.2 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | trans | 68 | 131.2 | 144.6 | -76.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 742 | Q | 24 | Very low | 26.1 | Very low | 173 Ų | 173 | 128.7 Ų | 128.7 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | 66.8 | 142 | 78.4 | -68 | 175.1 | -8.9 | 0 | 0 | 114.5 | |||||
| 743 | S | 24.4 | Very low | 26.6 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | cis | -172.6 | 178.2 | -7.9 | 56.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 744 | K | 24.1 | Very low | 26.8 | Very low | 187 Ų | 187 | 126.5 Ų | 126.5 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | 77.2 | 106.2 | 155.8 | -71.8 | 179.9 | 176.4 | -178.9 | 0 | 121.3 | ||||
| 745 | C | 22.3 | Very low | 26.9 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 90% | 0.899 | 77% | 0.767 | S | S | * | * | 46.7 | 123.6 | 125.6 | -50.9 | 0 | 0 | 0 | 0 | 122 | |||||
| 746 | G | 23.6 | Very low | 26.9 | Very low | 71 Ų | 71 | 127.2 Ų | 127.2 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | trans | -172.8 | 117.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 747 | D | 26.9 | Very low | 26.8 | Very low | 167 Ų | 167 | 126 Ų | 126 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | trans | 51.2 | 140.9 | 153.9 | -56.6 | -20.2 | 0 | 0 | 0 | 125.4 | ||||
| 748 | S | 24.7 | Very low | 26.9 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | -55.7 | 156.5 | 171.7 | 54.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 749 | S | 26.6 | Very low | 27.1 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | 171.6 | 148.7 | 76.4 | 46.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 750 | T | 25.8 | Very low | 27.2 | Very low | 128 Ų | 128 | 119.8 Ų | 119.8 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | 50.8 | 130.7 | 148.9 | 46.5 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 751 | S | 30 | Very low | 27.5 | Very low | 125 Ų | 125 | 121.7 Ų | 121.7 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | 81 | 139.5 | 139 | 75.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 752 | G | 24.7 | Very low | 28.2 | Very low | 67 Ų | 67 | 122.1 Ų | 122.1 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | -141.5 | 178 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 753 | P | 37.2 | Very low | 28.2 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | trans | -141.3 | 139 | 166.3 | 38.7 | -23 | 0 | 0 | 0 | 116.4 | ||||
| 754 | T | 30.1 | Very low | 28.4 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | 51.1 | 144.8 | 137.2 | 60.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 755 | S | 30.3 | Very low | 28.6 | Very low | 104 Ų | 104 | 122.2 Ų | 122.2 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -170.6 | 179.7 | -5.3 | 50.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 756 | T | 28.8 | Very low | 28.7 | Very low | 122 Ų | 122 | 120.9 Ų | 120.9 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | cis | -143.9 | -173 | 20.7 | 53.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 757 | T | 29.7 | Very low | 28.8 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | cis | -136.1 | 169.7 | 5.5 | 46.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 758 | P | 30.2 | Very low | 28.6 | Very low | 111 Ų | 111 | 122.9 Ų | 122.9 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | trans | -120.7 | 164.7 | 175.7 | 41 | -30.8 | 0 | 0 | 0 | 115.1 | ||||
| 759 | T | 30.2 | Very low | 28.6 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | trans | -168.1 | 124.1 | 134.9 | 9.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 760 | N | 28.9 | Very low | 28.5 | Very low | 146 Ų | 146 | 123.8 Ų | 123.8 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | 61 | 122.6 | 141.9 | -58.3 | -3.7 | 0 | 0 | 0 | 124.5 | ||||
| 761 | P | 29.9 | Very low | 28.5 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | -114.5 | -150.9 | 152.4 | 45.5 | -33.9 | 0 | 0 | 0 | 110.8 | ||||
| 762 | P | 39.5 | Very low | 28.3 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 69% | 0.688 | 76% | 0.755 | S | S | * | * | -135.4 | -164.7 | -118.7 | 37.1 | -12.6 | 0 | 0 | 0 | 117.8 | |||||
| 763 | K | 24.7 | Very low | 28.4 | Very low | 196 Ų | 196 | 130 Ų | 130 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | trans | 87.7 | 153 | 173.8 | -49.7 | 177.1 | -177.7 | 179.2 | 0 | 114.2 | ||||
| 764 | T | 28.8 | Very low | 27.8 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | cis | -150 | 151.6 | 30 | 47.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 765 | N | 27.2 | Very low | 27.8 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | trans | 55.6 | 110.8 | 137.2 | -61.4 | 11.9 | 0 | 0 | 0 | 125 | ||||
| 766 | S | 24 | Very low | 27.6 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | 89.3 | 135.9 | 113.9 | -60.1 | 0 | 0 | 0 | 0 | 125 | |||||
| 767 | L | 25.8 | Very low | 27.5 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | trans | 82.1 | 98.2 | 146.4 | -73 | 162 | 0 | 0 | 0 | 122.9 | ||||
| 768 | N | 23.9 | Very low | 27.2 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | 76.1 | 136.7 | 123.5 | -80.6 | 5.3 | 0 | 0 | 0 | 125.7 | |||||
| 769 | T | 24 | Very low | 27 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | trans | 87.5 | 149.7 | 143.7 | 47.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 770 | A | 25.7 | Very low | 26.7 | Very low | 90 Ų | 90 | 139.1 Ų | 139.1 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | trans | 71.2 | 135 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 771 | K | 25.2 | Very low | 26.5 | Very low | 200 Ų | 200 | 140 Ų | 140 | 87% | 0.87 | 76% | 0.762 | S | S | * | * | cis | 68.8 | 138.7 | 41.5 | -66 | -171.6 | 175.3 | -178.2 | 0 | 112.4 | ||||
| 772 | K | 24.8 | Very low | 26.1 | Very low | 138 Ų | 138 | 139.7 Ų | 139.7 | 60% | 0.6 | 76% | 0.758 | S | S | * | * | cis | -151.8 | 172.2 | 5.4 | -146.9 | 171.2 | 144.4 | -91.2 | 0 | 106.6 | E774 | K772-E774 WeakPolarHBondContact CE-OE1 3.21Å; K772-E774 IonicContact NZ-OE1 3.87Å; K772-E774 PolarHBondContact NZ-OE1 3.04Å; K772-E774 IonicContact NZ-OE2 2.68Å | ||
| 773 | D | 27.9 | Very low | 25.6 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 60% | 0.604 | 77% | 0.77 | S | S | * | * | -176.7 | 138.3 | 64.3 | -83.5 | -51.9 | 0 | 0 | 0 | 109.1 | |||||
| 774 | E | 24.9 | Very low | 25.5 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | 67.1 | 143.4 | 101.6 | -57.6 | -176.9 | 169 | 0 | 0 | 115 | K772 | K772-E774 WeakPolarHBondContact CE-OE1 3.21Å; K772-E774 IonicContact NZ-OE1 3.87Å; K772-E774 PolarHBondContact NZ-OE1 3.04Å; K772-E774 IonicContact NZ-OE2 2.68Å | |||
| 775 | I | 29.8 | Very low | 25.5 | Very low | 156 Ų | 156 | 146.3 Ų | 146.3 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | cis | -145.9 | 124.8 | 43 | -69 | 165.7 | 0 | 0 | 0 | 107.5 | ||||
| 776 | D | 25.2 | Very low | 25.3 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 66% | 0.663 | 78% | 0.776 | S | S | * | * | 75.2 | 115.8 | 71.7 | -172 | 45.5 | 0 | 0 | 0 | 117.3 | |||||
| 777 | M | 26.4 | Very low | 25.6 | Very low | 182 Ų | 182 | 145.6 Ų | 145.6 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | -168.2 | 171.3 | 126.7 | -114.9 | -156.4 | 172.5 | 0 | 0 | 113.4 | |||||
| 778 | K | 24.3 | Very low | 25.5 | Very low | 182 Ų | 182 | 145.6 Ų | 145.6 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -132.4 | 179.8 | -166.2 | -71.9 | 178.5 | 178.7 | 170.7 | 0 | 114.3 | ||||
| 779 | S | 26.7 | Very low | 25.8 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 90.3 | 127.9 | 171.1 | 73.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 780 | C | 22.1 | Very low | 26.1 | Very low | 113 Ų | 113 | 146.7 Ų | 146.7 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | cis | 90.6 | 110.7 | 24.9 | -170.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 781 | L | 25.2 | Very low | 26.3 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | -164.8 | 166.6 | 127.1 | -107 | 166.9 | 0 | 0 | 0 | 111.5 | |||||
| 782 | T | 22.8 | Very low | 26.4 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | trans | -109.3 | 151.9 | -168.9 | 46.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 783 | Q | 27.3 | Very low | 26.5 | Very low | 199 Ų | 199 | 144.7 Ų | 144.7 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | trans | -158.3 | 155.1 | 133.2 | -126.5 | 170.4 | -5.9 | 0 | 0 | 113.1 | ||||
| 784 | E | 22.5 | Very low | 26.5 | Very low | 179 Ų | 179 | 143.5 Ų | 143.5 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -94.2 | 155.9 | -179.5 | -54.8 | 165.4 | 127.7 | 0 | 0 | 110.9 | ||||
| 785 | L | 28.9 | Very low | 26.7 | Very low | 181 Ų | 181 | 142.3 Ų | 142.3 | 95% | 0.948 | 79% | 0.794 | S | S | * | * | -175.2 | 152.2 | 120.8 | -96.6 | 165.4 | 0 | 0 | 0 | 109.4 | |||||
| 786 | G | 23.9 | Very low | 26.5 | Very low | 67 Ų | 67 | 143.1 Ų | 143.1 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | -96.3 | 166.9 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 787 | I | 29.6 | Very low | 26.6 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -158.4 | 143 | 147.8 | -96.5 | 150.6 | 0 | 0 | 0 | 106.6 | ||||
| 788 | D | 23.9 | Very low | 26.7 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -71.4 | 150.2 | -173.8 | -49 | -90.8 | 0 | 0 | 0 | 114.4 | ||||
| 789 | P | 31.4 | Very low | 26.9 | Very low | 126 Ų | 126 | 135 Ų | 135 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -129 | 110.3 | 149 | 33.5 | -19.7 | 0 | 0 | 0 | 111.7 | V791 | P789-V791 PolarHBondContact O-N 2.88Š| ||
| 790 | L | 28.8 | Very low | 27 | Very low | 165 Ų | 165 | 134.6 Ų | 134.6 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | trans | -75.6 | 121.4 | 173.5 | -136.9 | 86.4 | 0 | 0 | 0 | 110.8 | ||||
| 791 | V | 31.5 | Very low | 27.6 | Very low | 120 Ų | 120 | 135 Ų | 135 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 42.3 | 90.6 | 161.8 | -169.2 | 0 | 0 | 0 | 0 | 116.5 | P789 | P789-V791 PolarHBondContact O-N 2.88Š| ||
| 792 | N | 26 | Very low | 28.4 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -111.5 | 97.1 | 151.8 | -155.6 | 3.7 | 0 | 0 | 0 | 107.7 | S794 | N792-S794 VanDerWaalsContact C-N 3.31Å; N792-S794 PolarHBondContact O-N 3.28Å | ||
| 793 | S | 28 | Very low | 29.7 | Very low | 113 Ų | 113 | 129.6 Ų | 129.6 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | trans | -84.9 | 66.3 | -172.2 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 794 | S | 26.8 | Very low | 30.5 | Very low | 87 Ų | 87 | 122.1 Ų | 122.1 | 61% | 0.608 | 71% | 0.708 | S | S | * | * | trans | -90.2 | 121.6 | 177.8 | 60.9 | 0 | 0 | 0 | 0 | 112.6 | N792 | N792-S794 VanDerWaalsContact C-N 3.31Å; N792-S794 PolarHBondContact O-N 3.28Å | ||
| 795 | N | 29.2 | Very low | 31.5 | Very low | 128 Ų | 128 | 120 Ų | 120 | 68% | 0.684 | 70% | 0.698 | S | S | * | * | trans | 53.9 | 101.4 | 156.4 | -59.7 | -22.3 | 0 | 0 | 0 | 118.4 | L797 | N795-L797 HydrophobicContact CB-CB 4.38Š| ||
| 796 | N | 25.9 | Very low | 32.5 | Very low | 174 Ų | 174 | 113 Ų | 113 | 93% | 0.93 | 67% | 0.666 | S | S | * | * | -104.2 | 76.3 | 126.6 | -112 | -16 | 0 | 0 | 0 | 108.1 | S798 | N796-S798 VanDerWaalsContact C-N 3.3Å; N796-S798 PolarHBondContact O-N 3.32Å | |||
| 797 | L | 28.5 | Very low | 33.6 | Very low | 140 Ų | 140 | 111.5 Ų | 111.5 | 73% | 0.733 | 64% | 0.64 | S | S | * | * | trans | -89.1 | 70.5 | 175.3 | -153 | 83.5 | 0 | 0 | 0 | 108.6 | N795 S799 | N795-L797 HydrophobicContact CB-CB 4.38Å; L797-S799 PolarHBondContact O-N 3.36Å | ||
| 798 | S | 28 | Very low | 34.1 | Very low | 86 Ų | 86 | 106 Ų | 106 | 60% | 0.601 | 61% | 0.612 | S | S | * | * | trans | -62.7 | 123.7 | 172.9 | 63 | 0 | 0 | 0 | 0 | 108.5 | N796 D800 | N796-S798 VanDerWaalsContact C-N 3.3Å; N796-S798 PolarHBondContact O-N 3.32Å; S798-D800 WeakPolarHBondContact CB-OD2 3.15Å; S798-D800 PolarHBondContact O-N 2.9Å; S798-D800 PolarHBondContact OG-OD2 3.24Å | ||
| 799 | S | 27.7 | Very low | 35.1 | Very low | 92 Ų | 92 | 101.2 Ų | 101.2 | 64% | 0.643 | 59% | 0.589 | S | S | * | * | trans | -87 | 53.7 | -178.2 | 67.6 | 0 | 0 | 0 | 0 | 110.6 | L797 | L797-S799 PolarHBondContact O-N 3.36Š| ||
| 800 | D | 29.7 | Very low | 35.8 | Very low | 108 Ų | 108 | 102.1 Ų | 102.1 | 58% | 0.578 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 145.5 | 167.2 | -60 | -67.1 | 0 | 0 | 0 | 108.7 | S798 V802 | S798-D800 WeakPolarHBondContact CB-OD2 3.15Å; S798-D800 PolarHBondContact O-N 2.9Å; S798-D800 PolarHBondContact OG-OD2 3.24Å; D800-V802 PolarHBondContact O-N 2.68Å |
| 801 | P | 33.3 | Very low | 36.4 | Very low | 121 Ų | 121 | 96.8 Ų | 96.8 | 79% | 0.786 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 124.2 | 168.9 | 27.3 | -32.2 | 0 | 0 | 0 | 107.4 | D803 | P801-D803 PolarHBondContact O-N 3.37Š|
| 802 | V | 43.7 | Very low | 37 | Very low | 72 Ų | 72 | 93.9 Ų | 93.9 | 44% | 0.436 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 117.5 | 174.8 | 175.6 | 0 | 0 | 0 | 0 | 107.1 | D800 L804 | D800-V802 PolarHBondContact O-N 2.68Å; V802-L804 PolarHBondContact O-N 2.72Å |
| 803 | D | 49.7 | Very low | 37.9 | Very low | 97 Ų | 97 | 92.5 Ų | 92.5 | 52% | 0.519 | 53% | 0.527 | S | S | . | . | trans | -67.3 | 92.7 | 176.7 | 178.5 | 14.4 | 0 | 0 | 0 | 108.6 | P801 H805 A806 Y807 | P801-D803 PolarHBondContact O-N 3.37Å; D803-H805 PolarHBondContact O-N 3.01Å; D803-H805 WeakPolarHBondContact OD1-CA 3.47Å; D803-H805 WeakPolarHBondContact OD1-CB 3.47Å; D803-H805 PolarHBondContact OD1-N 2.8Å; D803-A806 HydrophobicContact CB-CB 4.25Å; D803-A806 PolarHBondContact O-N 2.8Å; D803-A806 PolarHBondContact OD1-N 2.89Å; D803-A806 WeakPolarHBondContact OD2-CB 3.26Å; D803-A806 PolarHBondContact OD2-N 3.35Å; D803-Y807 VanDerWaalsContact O-CB 3.3Å; D803-Y807 WeakPolarHBondContact O-CB 3.06Å; D803-Y807 PolarHBondContact O-N 3.44Å | ||
| 804 | L | 43.3 | Very low | 38.6 | Very low | 42 Ų | 42 | 91.7 Ų | 91.7 | 22% | 0.22 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -62.1 | -23.1 | 179.9 | -159.8 | 72.3 | 0 | 0 | 0 | 110.9 | V802 Y807 L808 | V802-L804 PolarHBondContact O-N 2.72Å; L804-Y807 HydrophobicContact CD1-CD1 4.25Å; L804-L808 HydrophobicContact CG-CD1 4.19Å; L804-L808 VanDerWaalsContact O-CB 3.3Å; L804-L808 WeakPolarHBondContact O-CB 3.22Å; L804-L808 WeakPolarHBondContact O-CD1 3.22Å; L804-L808 WeakPolarHBondContact O-CG 3.46Å; L804-L808 PolarHBondContact O-N 2.86Å |
| 805 | H | 43.6 | Very low | 39.5 | Very low | 134 Ų | 134 | 91.2 Ų | 91.2 | 62% | 0.62 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -71.3 | -56.5 | 175.6 | -162 | -7.8 | 0 | 0 | 0 | 110.5 | D803 Y807 L808 T809 | D803-H805 PolarHBondContact O-N 3.01Å; D803-H805 WeakPolarHBondContact OD1-CA 3.47Å; D803-H805 WeakPolarHBondContact OD1-CB 3.47Å; D803-H805 PolarHBondContact OD1-N 2.8Å; H805-Y807 VanDerWaalsContact C-N 3.28Å; H805-Y807 PolarHBondContact O-N 3.07Å; H805-L808 PolarHBondContact O-N 2.89Å; H805-L808 VanDerWaalsContact O-N 3.12Å; H805-T809 VanDerWaalsContact CE1-CG2 3.48Å; H805-T809 WeakPolarHBondContact CE1-CG2 3.37Å; H805-T809 VanDerWaalsContact ND1-CG2 3.3Å; H805-T809 WeakPolarHBondContact ND1-CG2 3.18Å; H805-T809 WeakPolarHBondContact O-CG2 3.19Å; H805-T809 PolarHBondContact O-N 3.39Å; H805-T809 PolarHBondContact O-OG1 2.88Å |
| 806 | A | 49.8 | Very low | 40.6 | Very low | 35 Ų | 35 | 92.2 Ų | 92.2 | 29% | 0.289 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.3 | -33 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | D803 K810 | D803-A806 HydrophobicContact CB-CB 4.25Å; D803-A806 PolarHBondContact O-N 2.8Å; D803-A806 PolarHBondContact OD1-N 2.89Å; D803-A806 WeakPolarHBondContact OD2-CB 3.26Å; D803-A806 PolarHBondContact OD2-N 3.35Å; A806-K810 PolarHBondContact O-N 3.03Å |
| 807 | Y | 47.8 | Very low | 42.6 | Very low | 35 Ų | 35 | 85.1 Ų | 85.1 | 14% | 0.137 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -63.9 | -39 | 173 | 171.4 | -90.5 | 0 | 0 | 0 | 112.4 | D803 L804 H805 G842 G843 P844 R1351 | D803-Y807 VanDerWaalsContact O-CB 3.3Å; D803-Y807 WeakPolarHBondContact O-CB 3.06Å; D803-Y807 PolarHBondContact O-N 3.44Å; L804-Y807 HydrophobicContact CD1-CD1 4.25Å; H805-Y807 VanDerWaalsContact C-N 3.28Å; H805-Y807 PolarHBondContact O-N 3.07Å; Y807-G842 PolarHBondContact OH-O 3.17Å; Y807-G843 VanDerWaalsContact CE2-C 3.46Å; Y807-G843 WeakPolarHBondContact CE2-O 3.29Å; Y807-G843 VanDerWaalsContact OH-C 3.24Å; Y807-G843 VanDerWaalsContact OH-CA 3.24Å; Y807-G843 WeakPolarHBondContact OH-CA 3.42Å; Y807-P844 WeakPolarHBondContact OH-CA 3.42Å; Y807-P844 VanDerWaalsContact OH-N 3.15Å; Y807-R1351 VanDerWaalsContact CE1-NH2 3.29Å |
| 808 | L | 40.1 | Very low | 44.8 | Very low | 49 Ų | 49 | 83.5 Ų | 83.5 | 26% | 0.257 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -82.8 | -28.5 | 178.5 | -72 | 172.7 | 0 | 0 | 0 | 113.2 | W177 P179 L804 H805 | W177-L808 HydrophobicContact CB-CD2 4.26Å; P179-L808 VanDerWaalsContact CB-O 3.22Å; P179-L808 WeakPolarHBondContact CB-O 3.41Å; P179-L808 WeakPolarHBondContact CD-O 3.24Å; P179-L808 VanDerWaalsContact CG-O 3.28Å; P179-L808 WeakPolarHBondContact CG-O 3.41Å; L804-L808 HydrophobicContact CG-CD1 4.19Å; L804-L808 VanDerWaalsContact O-CB 3.3Å; L804-L808 WeakPolarHBondContact O-CB 3.22Å; L804-L808 WeakPolarHBondContact O-CD1 3.22Å; L804-L808 WeakPolarHBondContact O-CG 3.46Å; L804-L808 PolarHBondContact O-N 2.86Å; H805-L808 PolarHBondContact O-N 2.89Å; H805-L808 VanDerWaalsContact O-N 3.12Å |
| 809 | T | 44.2 | Very low | 47.4 | Very low | 49 Ų | 49 | 79.6 Ų | 79.6 | 30% | 0.301 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -89 | -26.8 | -171.1 | 51.5 | 0 | 0 | 0 | 0 | 116.5 | L25 P179 H805 | L25-T809 VanDerWaalsContact CD1-O 3.26Å; L25-T809 WeakPolarHBondContact CD1-O 3.29Å; P179-T809 HydrophobicContact CB-CG2 4.32Å; H805-T809 VanDerWaalsContact CE1-CG2 3.48Å; H805-T809 WeakPolarHBondContact CE1-CG2 3.37Å; H805-T809 VanDerWaalsContact ND1-CG2 3.3Å; H805-T809 WeakPolarHBondContact ND1-CG2 3.18Å; H805-T809 WeakPolarHBondContact O-CG2 3.19Å; H805-T809 PolarHBondContact O-N 3.39Å; H805-T809 PolarHBondContact O-OG1 2.88Å |
| 810 | K | 46.9 | Very low | 49.9 | Very low | 144 Ų | 144 | 77.7 Ų | 77.7 | 63% | 0.626 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -80.7 | 129.8 | -173.5 | -70.3 | -172.6 | 174.7 | -175.6 | 0 | 112 | A806 L812 | A806-K810 PolarHBondContact O-N 3.03Å; K810-L812 PolarHBondContact O-N 3.28Å; K810-L812 VanDerWaalsContact O-N 3.11Å |
| 811 | P | 41.5 | Very low | 52.5 | Low | 53 Ų | 53 | 76.7 Ų | 76.7 | 34% | 0.344 | 45% | 0.449 | S | S | . | . | trans | -57.5 | 116.8 | 169.2 | -22.1 | 31.7 | 0 | 0 | 0 | 110.3 | D23 L25 N813 | D23-P811 WeakPolarHBondContact OD2-CG 3.14Å; L25-P811 HydrophobicContact CD1-CG 3.89Å; P811-N813 PolarHBondContact O-N 3.18Å | ||
| 812 | L | 44 | Very low | 55.1 | Low | 59 Ų | 59 | 71.8 Ų | 71.8 | 31% | 0.309 | 42% | 0.416 | S | S | . | . | trans | -88.8 | 106.3 | 175.6 | -73.8 | 146.1 | 0 | 0 | 0 | 108.8 | Q175 K810 P844 | Q175-L812 PolarHBondContact NE2-O 3.25Å; K810-L812 PolarHBondContact O-N 3.28Å; K810-L812 VanDerWaalsContact O-N 3.11Å; L812-P844 HydrophobicContact CD1-CB 3.95Å; L812-P844 HydrophobicContact CD1-CG 3.73Å; L812-P844 HydrophobicContact CD2-CG 4.01Å; L812-P844 HydrophobicContact CG-CG 4.35Å | ||
| 813 | N | 44.1 | Very low | 57.1 | Low | 124 Ų | 124 | 73.1 Ų | 73.1 | 66% | 0.663 | 42% | 0.418 | S | S | * | . | trans | -51.1 | 140.5 | 161.3 | -73 | 1.1 | 0 | 0 | 0 | 108.6 | P811 P815 | P811-N813 PolarHBondContact O-N 3.18Å; N813-P815 WeakPolarHBondContact O-CD 3.3Å | ||
| 814 | P | 43.6 | Very low | 59 | Low | 97 Ų | 97 | 69.5 Ų | 69.5 | 63% | 0.63 | 40% | 0.399 | S | S | * | . | trans | -57.2 | 112 | -177.1 | 23 | -33.2 | 0 | 0 | 0 | 109.5 | ||||
| 815 | P | 44.8 | Very low | 61.2 | Low | 77 Ų | 77 | 72.2 Ų | 72.2 | 50% | 0.5 | 42% | 0.422 | S | S | . | . | trans | -74.1 | 149.7 | -170.2 | 28.7 | -33.9 | 0 | 0 | 0 | 110.4 | N813 S817 | N813-P815 WeakPolarHBondContact O-CD 3.3Å; P815-S817 PolarHBondContact O-N 2.86Å | ||
| 816 | T | 52.8 | Low | 63.5 | Low | 148 Ų | 148 | 67.8 Ų | 67.8 | 91% | 0.908 | 40% | 0.402 | S | S | * | . | trans | -68 | 70.6 | 153.9 | 51.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 817 | S | 67.8 | Low | 65.7 | Low | 25 Ų | 25 | 68.1 Ų | 68.1 | 18% | 0.175 | 40% | 0.402 | C | S | . | . | trans | -63.3 | 142.2 | -173.2 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | P815 T819 A820 E852 | P815-S817 PolarHBondContact O-N 2.86Å; S817-T819 PolarHBondContact O-N 3.34Å; S817-T819 VanDerWaalsContact O-N 3.15Å; S817-T819 PolarHBondContact OG-N 2.85Å; S817-T819 PolarHBondContact OG-OG1 2.86Å; S817-A820 VanDerWaalsContact O-CB 3.29Å; S817-A820 WeakPolarHBondContact O-CB 3.36Å; S817-A820 PolarHBondContact O-N 3.08Å; S817-E852 WeakPolarHBondContact CB-OE1 3.47Å; S817-E852 PolarHBondContact OG-OE1 3.2Å | ||
| 818 | I | 74.1 | Confident | 68 | Low | 107 Ų | 107 | 66.8 Ų | 66.8 | 55% | 0.549 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -59.8 | -26.6 | 173.7 | -59.3 | 168.8 | 0 | 0 | 0 | 110.3 | A820 A821 L838 | I818-A820 VanDerWaalsContact C-N 3.33Å; I818-A820 PolarHBondContact O-N 2.84Å; I818-A821 PolarHBondContact O-N 2.71Å; I818-L838 HydrophobicContact CB-CD1 3.93Å; I818-L838 HydrophobicContact CD1-CD1 4.49Å; I818-L838 HydrophobicContact CD1-CD2 3.86Å; I818-L838 HydrophobicContact CG2-CD1 3.71Å |
| 819 | T | 83.2 | Confident | 70.6 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 2% | 0.018 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -72.7 | -18.9 | 174 | 52.3 | 0 | 0 | 0 | 0 | 114.6 | S817 A821 L822 L835 E852 I1292 L1296 | S817-T819 PolarHBondContact O-N 3.34Å; S817-T819 VanDerWaalsContact O-N 3.15Å; S817-T819 PolarHBondContact OG-N 2.85Å; S817-T819 PolarHBondContact OG-OG1 2.86Å; T819-A821 VanDerWaalsContact C-N 3.29Å; T819-L822 HydrophobicContact CG2-CD1 4.36Å; T819-L822 PolarHBondContact O-N 3.39Å; T819-L835 HydrophobicContact CG2-CD2 3.84Å; T819-E852 WeakPolarHBondContact CB-OE2 3.08Å; T819-E852 PolarHBondContact OG1-OE1 2.87Å; T819-E852 VanDerWaalsContact OG1-OE1 3.11Å; T819-E852 PolarHBondContact OG1-OE2 3.24Å; T819-I1292 HydrophobicContact CG2-CG2 3.83Å; T819-L1296 HydrophobicContact CG2-CD1 4.03Å |
| 820 | A | 80.4 | Confident | 73 | Confident | 53 Ų | 53 | 70.8 Ų | 70.8 | 44% | 0.438 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -74.8 | -20.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S817 I818 L822 E852 | S817-A820 VanDerWaalsContact O-CB 3.29Å; S817-A820 WeakPolarHBondContact O-CB 3.36Å; S817-A820 PolarHBondContact O-N 3.08Å; I818-A820 VanDerWaalsContact C-N 3.33Å; I818-A820 PolarHBondContact O-N 2.84Å; A820-L822 VanDerWaalsContact C-N 3.3Å; A820-E852 HydrophobicContact CB-CB 4Å; A820-E852 HydrophobicContact CB-CG 3.92Å; A820-E852 PolarHBondContact N-OE2 2.92Å |
| 821 | A | 83.1 | Confident | 75.3 | Confident | 86 Ų | 86 | 63.9 Ų | 63.9 | 71% | 0.711 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -81.5 | -5.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I818 T819 | I818-A821 PolarHBondContact O-N 2.71Å; T819-A821 VanDerWaalsContact C-N 3.29Å |
| 822 | L | 87.9 | Confident | 77.8 | Confident | 18 Ų | 18 | 63.5 Ų | 63.5 | 9% | 0.094 | 39% | 0.386 | C | S | . | . | trans | -85.2 | 130.9 | -179.1 | -58.4 | 175.9 | 0 | 0 | 0 | 110.6 | T819 A820 M826 I831 L835 I1292 | T819-L822 HydrophobicContact CG2-CD1 4.36Å; T819-L822 PolarHBondContact O-N 3.39Å; A820-L822 VanDerWaalsContact C-N 3.3Å; L822-M826 HydrophobicContact CB-SD 4.46Å; L822-M826 HydrophobicContact CD2-CE 3.78Å; L822-M826 HydrophobicContact CD2-SD 3.9Å; L822-I831 HydrophobicContact CD1-CG2 4.44Å; L822-L835 HydrophobicContact CD1-CD2 3.69Å; L822-L835 HydrophobicContact CD1-CG 4.11Å; L822-I1292 HydrophobicContact CB-CD1 4.17Å; L822-I1292 HydrophobicContact CD1-CD1 3.74Å; L822-I1292 HydrophobicContact CD1-CG1 3.99Å | ||
| 823 | H | 87.3 | Confident | 80.1 | Confident | 100 Ų | 100 | 64.4 Ų | 64.4 | 46% | 0.463 | 40% | 0.397 | S | S | . | . | trans | -129.6 | 154.7 | -173 | -155.9 | -102.4 | 0 | 0 | 0 | 113.1 | S825 M826 | H823-S825 PolarHBondContact ND1-OG 2.85Å; H823-S825 PolarHBondContact O-N 3.28Å; H823-M826 WeakPolarHBondContact O-CB 3.38Å; H823-M826 PolarHBondContact O-N 2.66Å | ||
| 824 | V | 88.2 | Confident | 82.3 | Confident | 21 Ų | 21 | 61 Ų | 61 | 13% | 0.127 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -10.2 | -174.1 | -64.9 | 0 | 0 | 0 | 0 | 115.2 | K1284 H1285 L1288 | V824-K1284 HydrophobicContact CB-CB 4.4Å; V824-K1284 HydrophobicContact CB-CG 4.11Å; V824-K1284 HydrophobicContact CG1-CB 4.33Å; V824-K1284 HydrophobicContact CG1-CG 4.29Å; V824-H1285 HydrophobicContact CG1-CB 4.07Å; V824-L1288 HydrophobicContact CG1-CB 4.33Å; V824-L1288 HydrophobicContact CG1-CD2 3.85Å |
| 825 | S | 89.4 | Confident | 84.5 | Confident | 100 Ų | 100 | 56.3 Ų | 56.3 | 70% | 0.699 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -11.4 | 176.8 | 47.1 | 0 | 0 | 0 | 0 | 114.3 | H823 | H823-S825 PolarHBondContact ND1-OG 2.85Å; H823-S825 PolarHBondContact O-N 3.28Å |
| 826 | M | 92.8 | Very high | 86.4 | Confident | 41 Ų | 41 | 62.5 Ų | 62.5 | 20% | 0.202 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -77 | 150.9 | 173.4 | -63.3 | 173.6 | 68.4 | 0 | 0 | 110.6 | L822 H823 Q830 I831 F1375 | L822-M826 HydrophobicContact CB-SD 4.46Å; L822-M826 HydrophobicContact CD2-CE 3.78Å; L822-M826 HydrophobicContact CD2-SD 3.9Å; H823-M826 WeakPolarHBondContact O-CB 3.38Å; H823-M826 PolarHBondContact O-N 2.66Å; M826-Q830 HydrophobicContact CB-CB 4.29Å; M826-Q830 HydrophobicContact CE-CB 3.86Å; M826-I831 HydrophobicContact CB-CD1 4.14Å; M826-I831 HydrophobicContact CB-CG1 3.83Å; M826-I831 HydrophobicContact CE-CG1 4.36Å; M826-I831 HydrophobicContact SD-CG1 4.5Å; M826-F1375 WeakPolarHBondContact O-CE1 3.49Å |
| 827 | S | 95.3 | Very high | 87.6 | Confident | 42 Ų | 42 | 56.7 Ų | 56.7 | 29% | 0.294 | 34% | 0.335 | S | S | . | . | trans | -77.1 | 157.7 | 169.3 | 71.1 | 0 | 0 | 0 | 0 | 111.8 | S829 Q830 I831 D1376 | S827-S829 PolarHBondContact O-N 3.06Å; S827-S829 VanDerWaalsContact O-N 3.16Å; S827-Q830 WeakPolarHBondContact O-CB 3.48Å; S827-Q830 PolarHBondContact O-N 3.15Å; S827-Q830 PolarHBondContact OG-N 3.23Å; S827-I831 WeakPolarHBondContact O-CG1 3.13Å; S827-I831 PolarHBondContact O-N 3.02Å; S827-D1376 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 828 | S | 95.7 | Very high | 88.4 | Confident | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -51.7 | -38.6 | 175 | 70.6 | 0 | 0 | 0 | 0 | 112.4 | I831 L832 D1376 | S828-I831 PolarHBondContact O-N 3.28Å; S828-L832 WeakPolarHBondContact O-CB 3.46Å; S828-L832 VanDerWaalsContact O-CG 3.28Å; S828-L832 WeakPolarHBondContact O-CG 3.18Å; S828-L832 PolarHBondContact O-N 3.22Å; S828-D1376 VanDerWaalsContact CB-OD2 3.28Å; S828-D1376 WeakPolarHBondContact CB-OD2 3.4Å; S828-D1376 PolarHBondContact N-OD1 3.25Å; S828-D1376 PolarHBondContact N-OD2 3.37Å; S828-D1376 PolarHBondContact OG-OD2 3.01Å |
| 829 | S | 95.5 | Very high | 88.9 | Confident | 82 Ų | 82 | 52.9 Ų | 52.9 | 57% | 0.573 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -68.5 | -36.7 | 179.2 | -65.7 | 0 | 0 | 0 | 0 | 112.7 | S827 S833 | S827-S829 PolarHBondContact O-N 3.06Å; S827-S829 VanDerWaalsContact O-N 3.16Å; S829-S833 WeakPolarHBondContact O-CB 3.32Å; S829-S833 PolarHBondContact O-N 2.68Å |
| 830 | Q | 95.3 | Very high | 88.9 | Confident | 100 Ų | 100 | 56.4 Ų | 56.4 | 47% | 0.467 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.8 | -47.8 | 172.9 | -71 | 172.4 | -44.4 | 0 | 0 | 110.3 | M826 S827 L832 S833 S834 | M826-Q830 HydrophobicContact CB-CB 4.29Å; M826-Q830 HydrophobicContact CE-CB 3.86Å; S827-Q830 WeakPolarHBondContact O-CB 3.48Å; S827-Q830 PolarHBondContact O-N 3.15Å; S827-Q830 PolarHBondContact OG-N 3.23Å; Q830-L832 PolarHBondContact O-N 3.01Å; Q830-S833 PolarHBondContact O-N 3.01Å; Q830-S833 VanDerWaalsContact O-N 3.09Å; Q830-S833 PolarHBondContact O-OG 3.09Å; Q830-S834 PolarHBondContact O-N 3.16Å; Q830-S834 PolarHBondContact O-OG 3.01Å |
| 831 | I | 94.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.9 | -50.8 | 178.3 | -66.6 | 157.5 | 0 | 0 | 0 | 110.7 | L822 M826 S827 S828 S833 S834 L835 L1288 F1291 I1292 F1375 | L822-I831 HydrophobicContact CD1-CG2 4.44Å; M826-I831 HydrophobicContact CB-CD1 4.14Å; M826-I831 HydrophobicContact CB-CG1 3.83Å; M826-I831 HydrophobicContact CE-CG1 4.36Å; M826-I831 HydrophobicContact SD-CG1 4.5Å; S827-I831 WeakPolarHBondContact O-CG1 3.13Å; S827-I831 PolarHBondContact O-N 3.02Å; S828-I831 PolarHBondContact O-N 3.28Å; I831-S833 VanDerWaalsContact C-N 3.28Å; I831-S833 PolarHBondContact O-N 2.73Å; I831-S834 PolarHBondContact O-N 2.89Å; I831-S834 VanDerWaalsContact O-N 3.13Å; I831-L835 HydrophobicContact CG2-CD1 3.67Å; I831-L835 HydrophobicContact CG2-CG 4.26Å; I831-L835 VanDerWaalsContact O-CG 3.29Å; I831-L835 WeakPolarHBondContact O-CG 3.44Å; I831-L835 PolarHBondContact O-N 3.32Å; I831-L1288 HydrophobicContact CD1-CD1 3.56Å; I831-L1288 HydrophobicContact CG1-CD1 4.19Å; I831-L1288 HydrophobicContact CG2-CD1 4.48Å; I831-F1291 HydrophobicContact CB-CE1 4.28Å; I831-F1291 HydrophobicContact CG2-CD1 3.97Å; I831-F1291 HydrophobicContact CG2-CE1 3.86Å; I831-I1292 HydrophobicContact CG2-CG1 4.32Å; I831-F1375 HydrophobicContact CD1-CD1 4.41Å; I831-F1375 HydrophobicContact CD1-CE1 3.6Å; I831-F1375 HydrophobicContact CD1-CZ 3.85Å |
| 832 | L | 94.6 | Very high | 88.4 | Confident | 45 Ų | 45 | 52.4 Ų | 52.4 | 24% | 0.236 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.9 | -32.6 | 176.7 | -70.4 | 174.4 | 0 | 0 | 0 | 113 | S828 Q830 R836 F1291 Q1295 I1368 A1372 | S828-L832 WeakPolarHBondContact O-CB 3.46Å; S828-L832 VanDerWaalsContact O-CG 3.28Å; S828-L832 WeakPolarHBondContact O-CG 3.18Å; S828-L832 PolarHBondContact O-N 3.22Å; Q830-L832 PolarHBondContact O-N 3.01Å; L832-R836 PolarHBondContact O-N 3.42Å; L832-F1291 HydrophobicContact CD1-CZ 3.98Å; L832-F1291 HydrophobicContact CD2-CE1 4.22Å; L832-F1291 HydrophobicContact CD2-CE2 4.41Å; L832-F1291 HydrophobicContact CD2-CZ 3.72Å; L832-F1291 HydrophobicContact CG-CE1 4.13Å; L832-F1291 HydrophobicContact CG-CZ 3.72Å; L832-Q1295 HydrophobicContact CD2-CB 4.25Å; L832-Q1295 HydrophobicContact CD2-CG 3.81Å; L832-I1368 HydrophobicContact CD1-CG2 4.18Å; L832-I1368 HydrophobicContact CD2-CG2 3.81Å; L832-A1372 HydrophobicContact CD1-CB 4.49Å |
| 833 | S | 92.9 | Very high | 87.8 | Confident | 77 Ų | 77 | 52 Ų | 52 | 54% | 0.538 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.8 | -35.5 | 174.9 | 77.8 | 0 | 0 | 0 | 0 | 112.8 | S829 Q830 I831 | S829-S833 WeakPolarHBondContact O-CB 3.32Å; S829-S833 PolarHBondContact O-N 2.68Å; Q830-S833 PolarHBondContact O-N 3.01Å; Q830-S833 VanDerWaalsContact O-N 3.09Å; Q830-S833 PolarHBondContact O-OG 3.09Å; I831-S833 VanDerWaalsContact C-N 3.28Å; I831-S833 PolarHBondContact O-N 2.73Å |
| 834 | S | 90.1 | Very high | 86.8 | Confident | 52 Ų | 52 | 48.8 Ų | 48.8 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -78.2 | -28 | 176.6 | -58.1 | 0 | 0 | 0 | 0 | 113.5 | Q830 I831 L838 | Q830-S834 PolarHBondContact O-N 3.16Å; Q830-S834 PolarHBondContact O-OG 3.01Å; I831-S834 PolarHBondContact O-N 2.89Å; I831-S834 VanDerWaalsContact O-N 3.13Å; S834-L838 WeakPolarHBondContact O-CD1 3.1Å |
| 835 | L | 89.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -81.1 | -22 | 179.2 | -69.8 | 174.1 | 0 | 0 | 0 | 114.1 | T819 L822 I831 G837 L838 I1292 Q1295 L1296 | T819-L835 HydrophobicContact CG2-CD2 3.84Å; L822-L835 HydrophobicContact CD1-CD2 3.69Å; L822-L835 HydrophobicContact CD1-CG 4.11Å; I831-L835 HydrophobicContact CG2-CD1 3.67Å; I831-L835 HydrophobicContact CG2-CG 4.26Å; I831-L835 VanDerWaalsContact O-CG 3.29Å; I831-L835 WeakPolarHBondContact O-CG 3.44Å; I831-L835 PolarHBondContact O-N 3.32Å; L835-G837 PolarHBondContact O-N 3.3Å; L835-L838 VanDerWaalsContact O-CB 3.31Å; L835-L838 WeakPolarHBondContact O-CB 3.34Å; L835-L838 WeakPolarHBondContact O-CG 3.45Å; L835-L838 PolarHBondContact O-N 3.02Å; L835-I1292 HydrophobicContact CD1-CB 4.39Å; L835-I1292 HydrophobicContact CD1-CG1 4.06Å; L835-I1292 HydrophobicContact CD2-CG1 4.39Å; L835-I1292 HydrophobicContact CD2-CG2 3.98Å; L835-Q1295 HydrophobicContact CB-CG 4.19Å; L835-Q1295 HydrophobicContact CD1-CB 3.96Å; L835-Q1295 HydrophobicContact CD1-CG 4.09Å; L835-L1296 HydrophobicContact CD2-CD1 4.48Å; L835-L1296 HydrophobicContact CD2-CD2 4.13Å; L835-L1296 HydrophobicContact CD2-CG 4.29Å |
| 836 | R | 85.1 | Confident | 86 | Confident | 207 Ų | 207 | 46.7 Ų | 46.7 | 78% | 0.781 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 111.4 | -169.1 | 178.6 | -179.3 | -70.7 | -176.5 | -2.5 | 112.9 | L832 L838 | L832-R836 PolarHBondContact O-N 3.42Å; R836-L838 VanDerWaalsContact C-N 3.31Å |
| 837 | G | 78.2 | Confident | 85.3 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 26% | 0.258 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -4.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | L835 G839 H840 D1299 | L835-G837 PolarHBondContact O-N 3.3Å; G837-G839 PolarHBondContact O-N 2.84Å; G837-H840 VanDerWaalsContact O-CB 3.28Å; G837-H840 WeakPolarHBondContact O-CB 3.39Å; G837-H840 PolarHBondContact O-N 3.3Å; G837-D1299 VanDerWaalsContact CA-OD2 3.25Å; G837-D1299 WeakPolarHBondContact CA-OD2 3.44Å; G837-D1299 PolarHBondContact N-OD2 3.25Å |
| 838 | L | 84.8 | Confident | 84.8 | Confident | 52 Ų | 52 | 43.8 Ų | 43.8 | 27% | 0.272 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -67.1 | -27.3 | 172.4 | -62.8 | -174.2 | 0 | 0 | 0 | 111.6 | I818 S834 L835 R836 H840 S841 L1296 | I818-L838 HydrophobicContact CB-CD1 3.93Å; I818-L838 HydrophobicContact CD1-CD1 4.49Å; I818-L838 HydrophobicContact CD1-CD2 3.86Å; I818-L838 HydrophobicContact CG2-CD1 3.71Å; S834-L838 WeakPolarHBondContact O-CD1 3.1Å; L835-L838 VanDerWaalsContact O-CB 3.31Å; L835-L838 WeakPolarHBondContact O-CB 3.34Å; L835-L838 WeakPolarHBondContact O-CG 3.45Å; L835-L838 PolarHBondContact O-N 3.02Å; R836-L838 VanDerWaalsContact C-N 3.31Å; L838-H840 PolarHBondContact O-N 2.89Å; L838-S841 PolarHBondContact O-OG 2.81Å; L838-L1296 HydrophobicContact CB-CD2 3.77Å |
| 839 | G | 82.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -73.5 | -15.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G837 S841 G842 L1296 D1299 F1300 | G837-G839 PolarHBondContact O-N 2.84Å; G839-S841 PolarHBondContact O-N 3.05Å; G839-S841 VanDerWaalsContact O-N 3.07Å; G839-G842 PolarHBondContact O-N 2.98Å; G839-L1296 WeakPolarHBondContact CA-O 3.48Å; G839-D1299 PolarHBondContact N-OD2 2.73Å; G839-F1300 WeakPolarHBondContact O-CA 3.5Å; G839-F1300 WeakPolarHBondContact O-CB 3.12Å |
| 840 | H | 84.8 | Confident | 84.1 | Confident | 78 Ų | 78 | 41.8 Ų | 41.8 | 36% | 0.361 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -63.3 | -15.2 | 178.8 | -62.8 | 166.4 | 0 | 0 | 0 | 114 | G837 L838 G842 D1299 K1303 | G837-H840 VanDerWaalsContact O-CB 3.28Å; G837-H840 WeakPolarHBondContact O-CB 3.39Å; G837-H840 PolarHBondContact O-N 3.3Å; L838-H840 PolarHBondContact O-N 2.89Å; H840-G842 VanDerWaalsContact C-N 3.31Å; H840-D1299 PolarHBondContact CD2-O 2.82Å; H840-K1303 HydrophobicContact CB-CB 4.29Å; H840-K1303 HydrophobicContact CB-CD 4.29Å; H840-K1303 HydrophobicContact CB-CG 4.11Å |
| 841 | S | 78 | Confident | 83.4 | Confident | 55 Ų | 55 | 39.8 Ų | 39.8 | 39% | 0.385 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -73.4 | -21.8 | 172 | 69.9 | 0 | 0 | 0 | 0 | 113.3 | L838 G839 G843 | L838-S841 PolarHBondContact O-OG 2.81Å; G839-S841 PolarHBondContact O-N 3.05Å; G839-S841 VanDerWaalsContact O-N 3.07Å; S841-G843 VanDerWaalsContact C-N 3.28Å; S841-G843 WeakPolarHBondContact CB-O 3.41Å; S841-G843 PolarHBondContact OG-N 3.15Å; S841-G843 VanDerWaalsContact OG-N 3.12Å; S841-G843 PolarHBondContact OG-O 3.12Å |
| 842 | G | 74.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | 69.5 | 22.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y807 G839 H840 R1351 | Y807-G842 PolarHBondContact OH-O 3.17Å; G839-G842 PolarHBondContact O-N 2.98Å; H840-G842 VanDerWaalsContact C-N 3.31Å; G842-R1351 PolarHBondContact O-NH1 3.39Å; G842-R1351 PolarHBondContact O-NH2 3.23Å | ||
| 843 | G | 74.2 | Confident | 81.6 | Confident | 8 Ų | 8 | 42.8 Ų | 42.8 | 8% | 0.082 | 25% | 0.248 | C | C | . | . | trans | 117.5 | -164.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y807 S841 W845 | Y807-G843 VanDerWaalsContact CE2-C 3.46Å; Y807-G843 WeakPolarHBondContact CE2-O 3.29Å; Y807-G843 VanDerWaalsContact OH-C 3.24Å; Y807-G843 VanDerWaalsContact OH-CA 3.24Å; Y807-G843 WeakPolarHBondContact OH-CA 3.42Å; S841-G843 VanDerWaalsContact C-N 3.28Å; S841-G843 WeakPolarHBondContact CB-O 3.41Å; S841-G843 PolarHBondContact OG-N 3.15Å; S841-G843 VanDerWaalsContact OG-N 3.12Å; S841-G843 PolarHBondContact OG-O 3.12Å; G843-W845 VanDerWaalsContact N-CZ2 3.35Å | ||
| 844 | P | 67.6 | Low | 81 | Confident | 34 Ų | 34 | 40.3 Ų | 40.3 | 22% | 0.221 | 23% | 0.232 | C | C | . | . | cis | -65 | 152.9 | -16.2 | 33.7 | -39.7 | 0 | 0 | 0 | 110.2 | W177 Y807 L812 | W177-P844 HydrophobicContact CH2-CB 3.89Å; W177-P844 HydrophobicContact CZ2-CB 3.35Å; Y807-P844 WeakPolarHBondContact OH-CA 3.42Å; Y807-P844 VanDerWaalsContact OH-N 3.15Å; L812-P844 HydrophobicContact CD1-CB 3.95Å; L812-P844 HydrophobicContact CD1-CG 3.73Å; L812-P844 HydrophobicContact CD2-CG 4.01Å; L812-P844 HydrophobicContact CG-CG 4.35Å | ||
| 845 | W | 79 | Confident | 80.6 | Confident | 32 Ų | 32 | 43.1 Ų | 43.1 | 12% | 0.121 | 25% | 0.249 | C | C | . | . | trans | -134.5 | 139.5 | 172.9 | -46.4 | -50.1 | 0 | 0 | 0 | 108.8 | W177 G843 P847 L1296 F1300 L1347 | W177-W845 WeakPolarHBondContact CH2-O 3.29Å; G843-W845 VanDerWaalsContact N-CZ2 3.35Å; W845-P847 WeakPolarHBondContact O-CD 3.32Å; W845-P847 VanDerWaalsContact O-N 3.11Å; W845-L1296 HydrophobicContact CB-CD1 4.18Å; W845-L1296 HydrophobicContact CD2-CB 3.83Å; W845-L1296 HydrophobicContact CD2-CD1 3.96Å; W845-L1296 HydrophobicContact CD2-CG 4.44Å; W845-L1296 HydrophobicContact CE3-CB 3.97Å; W845-L1296 HydrophobicContact CG-CB 4.48Å; W845-L1296 HydrophobicContact CG-CD1 3.72Å; W845-L1296 HydrophobicContact CH2-CB 4.01Å; W845-L1296 WeakPolarHBondContact CH2-O 3.37Å; W845-L1296 HydrophobicContact CZ2-CB 3.86Å; W845-L1296 HydrophobicContact CZ3-CB 4.05Å; W845-F1300 HydrophobicContact CH2-CB 3.89Å; W845-F1300 HydrophobicContact CH2-CG 4.44Å; W845-F1300 HydrophobicContact CZ2-CB 4.35Å; W845-L1347 HydrophobicContact CH2-CD2 4.34Å; W845-L1347 HydrophobicContact CZ3-CD2 3.75Å | ||
| 846 | W | 80.7 | Confident | 80.3 | Confident | 45 Ų | 45 | 44.5 Ų | 44.5 | 17% | 0.17 | 26% | 0.256 | C | S | . | . | trans | -60.4 | 116 | 175.4 | 171.5 | -96.7 | 0 | 0 | 0 | 110.6 | L850 E852 R1289 | W846-L850 PolarHBondContact NE1-O 2.82Å; W846-E852 HydrophobicContact CB-CB 4.19Å; W846-E852 HydrophobicContact CB-CG 3.51Å; W846-E852 VanDerWaalsContact CB-OE1 3.23Å; W846-E852 WeakPolarHBondContact CB-OE1 3.49Å; W846-E852 HydrophobicContact CD2-CG 4.39Å; W846-E852 HydrophobicContact CG-CB 4.04Å; W846-E852 HydrophobicContact CG-CG 3.81Å; W846-R1289 PolarHBondContact O-NH2 3.28Å | ||
| 847 | P | 78.7 | Confident | 80.6 | Confident | 17 Ų | 17 | 35.5 Ų | 35.5 | 11% | 0.11 | 22% | 0.224 | C | C | . | . | trans | -96.9 | 9.6 | -165.6 | 39.9 | -37.5 | 0 | 0 | 0 | 112.7 | P176 W177 W845 R1251 | P176-P847 HydrophobicContact CG-CG 3.99Å; W177-P847 HydrophobicContact CZ3-CG 4.44Å; W845-P847 WeakPolarHBondContact O-CD 3.32Å; W845-P847 VanDerWaalsContact O-N 3.11Å; P847-R1251 VanDerWaalsContact CG-NH2 3.27Å; P847-R1251 PolarHBondContact O-NH1 3.45Å; P847-R1251 PolarHBondContact O-NH2 2.99Å | ||
| 848 | G | 85.1 | Confident | 81.1 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | trans | -93.8 | 158 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1248 | G848-E1248 WeakPolarHBondContact CA-OE1 3.27Š| ||
| 849 | L | 89.5 | Confident | 81.5 | Confident | 7 Ų | 7 | 41.4 Ų | 41.4 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -80.7 | -23.2 | 174.2 | -56.4 | -174.9 | 0 | 0 | 0 | 112.8 | V1244 Y1247 E1248 M1261 H1285 T1286 | L849-V1244 HydrophobicContact CB-CG1 4.35Å; L849-Y1247 HydrophobicContact CD1-CD1 3.62Å; L849-Y1247 HydrophobicContact CD1-CE1 3.53Å; L849-Y1247 HydrophobicContact CD1-CG 4.32Å; L849-Y1247 HydrophobicContact CG-CD1 4.28Å; L849-Y1247 HydrophobicContact CG-CE1 3.98Å; L849-E1248 PolarHBondContact N-OE1 3.5Å; L849-M1261 HydrophobicContact CD1-CB 4.26Å; L849-H1285 PolarHBondContact O-CE1 2.66Å; L849-H1285 VanDerWaalsContact O-CE1 3.3Å; L849-H1285 PolarHBondContact O-ND1 2.79Å; L849-T1286 HydrophobicContact CB-CG2 4.46Å; L849-T1286 HydrophobicContact CD1-CG2 4.07Å; L849-T1286 HydrophobicContact CD2-CG2 4.22Å; L849-T1286 HydrophobicContact CG-CG2 4.48Å |
| 850 | L | 85.7 | Confident | 82.1 | Confident | 39 Ų | 39 | 43.6 Ų | 43.6 | 20% | 0.204 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -71.1 | 158.1 | 169.9 | -71.1 | 173 | 0 | 0 | 0 | 111.3 | W846 P857 V1244 E1248 H1285 | W846-L850 PolarHBondContact NE1-O 2.82Å; L850-P857 HydrophobicContact CD1-CG 4.48Å; L850-V1244 HydrophobicContact CD2-CG1 4.2Å; L850-E1248 HydrophobicContact CD1-CB 4.25Å; L850-E1248 HydrophobicContact CD1-CG 4.04Å; L850-E1248 HydrophobicContact CG-CG 4.08Å; L850-H1285 VanDerWaalsContact C-CE1 3.43Å |
| 851 | P | 82 | Confident | 82.4 | Confident | 59 Ų | 59 | 43.7 Ų | 43.7 | 38% | 0.383 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -50.7 | 147.2 | 175.9 | -27.1 | 32.9 | 0 | 0 | 0 | 113.3 | G853 S854 H1285 | P851-G853 PolarHBondContact O-N 2.65Å; P851-S854 WeakPolarHBondContact CB-OG 3.24Å; P851-S854 VanDerWaalsContact CD-OG 3.32Å; P851-S854 WeakPolarHBondContact CD-OG 3.43Å; P851-S854 WeakPolarHBondContact O-CB 3.43Å; P851-S854 PolarHBondContact O-N 2.91Å; P851-S854 PolarHBondContact O-OG 2.81Å; P851-H1285 VanDerWaalsContact CA-CE1 3.42Å; P851-H1285 WeakPolarHBondContact CA-CE1 3.24Å |
| 852 | E | 78 | Confident | 83.1 | Confident | 38 Ų | 38 | 44.5 Ų | 44.5 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 128.1 | -179.6 | -171.2 | 150.2 | -169.5 | 0 | 0 | 110.2 | S817 T819 A820 W846 R1289 | S817-E852 WeakPolarHBondContact CB-OE1 3.47Å; S817-E852 PolarHBondContact OG-OE1 3.2Å; T819-E852 WeakPolarHBondContact CB-OE2 3.08Å; T819-E852 PolarHBondContact OG1-OE1 2.87Å; T819-E852 VanDerWaalsContact OG1-OE1 3.11Å; T819-E852 PolarHBondContact OG1-OE2 3.24Å; A820-E852 HydrophobicContact CB-CB 4Å; A820-E852 HydrophobicContact CB-CG 3.92Å; A820-E852 PolarHBondContact N-OE2 2.92Å; W846-E852 HydrophobicContact CB-CB 4.19Å; W846-E852 HydrophobicContact CB-CG 3.51Å; W846-E852 VanDerWaalsContact CB-OE1 3.23Å; W846-E852 WeakPolarHBondContact CB-OE1 3.49Å; W846-E852 HydrophobicContact CD2-CG 4.39Å; W846-E852 HydrophobicContact CG-CB 4.04Å; W846-E852 HydrophobicContact CG-CG 3.81Å; E852-R1289 IonicContact OE2-CZ 3.63Å; E852-R1289 IonicContact OE2-NH1 3.7Å; E852-R1289 PolarHBondContact OE2-NH1 3.48Å; E852-R1289 IonicContact OE2-NH2 3.16Å; E852-R1289 PolarHBondContact OE2-NH2 3.39Å |
| 853 | G | 73.2 | Confident | 84 | Confident | 69 Ų | 69 | 46.4 Ų | 46.4 | 71% | 0.711 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | 7.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | P851 | P851-G853 PolarHBondContact O-N 2.65Š|
| 854 | S | 80.2 | Confident | 84.8 | Confident | 26 Ų | 26 | 56 Ų | 56 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 146 | 170.2 | -66.9 | 0 | 0 | 0 | 0 | 111.7 | P851 | P851-S854 WeakPolarHBondContact CB-OG 3.24Å; P851-S854 VanDerWaalsContact CD-OG 3.32Å; P851-S854 WeakPolarHBondContact CD-OG 3.43Å; P851-S854 WeakPolarHBondContact O-CB 3.43Å; P851-S854 PolarHBondContact O-N 2.91Å; P851-S854 PolarHBondContact O-OG 2.81Å |
| 855 | P | 80.3 | Confident | 86 | Confident | 111 Ų | 111 | 59.1 Ų | 59.1 | 72% | 0.721 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 147 | 174.5 | 27.2 | -35.1 | 0 | 0 | 0 | 111.1 | ||
| 856 | I | 85.1 | Confident | 86.4 | Confident | 29 Ų | 29 | 59.3 Ų | 59.3 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 132.3 | 178.4 | -58.6 | 172.9 | 0 | 0 | 0 | 109.3 | S142 Q170 Y173 L174 K858 L1252 | S142-I856 WeakPolarHBondContact O-CD1 3.46Å; Q170-I856 HydrophobicContact CG-CD1 3.98Å; Y173-I856 HydrophobicContact CD1-CG2 4.38Å; Y173-I856 HydrophobicContact CE1-CG2 4.44Å; L174-I856 HydrophobicContact CD1-CD1 4.01Å; L174-I856 HydrophobicContact CD2-CD1 3.9Å; L174-I856 HydrophobicContact CD2-CG1 4.04Å; L174-I856 HydrophobicContact CG-CD1 4.19Å; I856-K858 PolarHBondContact O-N 2.75Å; I856-L1252 HydrophobicContact CG2-CD1 4.3Å; I856-L1252 HydrophobicContact CG2-CD2 3.84Å |
| 857 | P | 89.7 | Confident | 86.9 | Confident | 17 Ų | 17 | 58.3 Ų | 58.3 | 11% | 0.11 | 34% | 0.341 | C | S | . | . | trans | -54.7 | 114.3 | 178.3 | -24.6 | 31.8 | 0 | 0 | 0 | 111.3 | Y173 L850 E1248 F1249 L1252 | Y173-P857 HydrophobicContact CE2-CG 4.41Å; Y173-P857 WeakPolarHBondContact OH-CD 3.28Å; L850-P857 HydrophobicContact CD1-CG 4.48Å; P857-E1248 HydrophobicContact CG-CB 3.65Å; P857-F1249 HydrophobicContact CB-CB 4.08Å; P857-F1249 HydrophobicContact CB-CD2 4.11Å; P857-F1249 WeakPolarHBondContact O-CD2 3.32Å; P857-L1252 HydrophobicContact CB-CD2 4.49Å; P857-L1252 WeakPolarHBondContact O-CD2 3.33Å | ||
| 858 | K | 89.8 | Confident | 87.4 | Confident | 168 Ų | 168 | 60.8 Ų | 60.8 | 73% | 0.73 | 36% | 0.357 | S | S | * | . | trans | -125.8 | 151.8 | -179.8 | 66.4 | 179.8 | -178 | 177.4 | 0 | 111.2 | I856 | I856-K858 PolarHBondContact O-N 2.75Š| ||
| 859 | P | 93.4 | Very high | 87.7 | Confident | 33 Ų | 33 | 65.3 Ų | 65.3 | 21% | 0.214 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 141.7 | 172.9 | -13.7 | 27.1 | 0 | 0 | 0 | 110.4 | W1165 H1169 F1249 | P859-W1165 HydrophobicContact CB-CE3 4.37Å; P859-W1165 HydrophobicContact CB-CH2 3.82Å; P859-W1165 HydrophobicContact CB-CZ2 4.37Å; P859-W1165 HydrophobicContact CB-CZ3 3.82Å; P859-W1165 HydrophobicContact CG-CH2 4.08Å; P859-W1165 HydrophobicContact CG-CZ3 4.12Å; P859-H1169 HydrophobicContact CB-CB 4.47Å; P859-F1249 HydrophobicContact CG-CE2 4.2Å; P859-F1249 HydrophobicContact CG-CZ 4.12Å |
| 860 | P | 93.8 | Very high | 87.6 | Confident | 46 Ų | 46 | 70.9 Ų | 70.9 | 30% | 0.299 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 150.7 | -179.3 | 28 | -35.2 | 0 | 0 | 0 | 111.7 | W1165 G1166 | P860-W1165 HydrophobicContact CG-CG 4.32Å; P860-G1166 WeakPolarHBondContact O-CA 3.28Å |
| 861 | A | 92.5 | Very high | 87.9 | Confident | 80 Ų | 80 | 74.9 Ų | 74.9 | 66% | 0.661 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 157.3 | 167 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 862 | K | 92.6 | Very high | 88.4 | Confident | 72 Ų | 72 | 72.2 Ų | 72.2 | 31% | 0.313 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -61 | 129.6 | 173.7 | -170.4 | 176.3 | 79.3 | 178.4 | 0 | 108.9 | Y864 Y1164 E1194 E1195 | K862-Y864 PolarHBondContact O-N 2.68Å; K862-Y1164 HydrophobicContact CG-CD1 4.05Å; K862-Y1164 HydrophobicContact CG-CE1 3.96Å; K862-E1194 VanDerWaalsContact CD-O 3.22Å; K862-E1194 WeakPolarHBondContact CD-O 3.39Å; K862-E1194 PolarHBondContact NZ-O 3.3Å; K862-E1195 IonicContact NZ-OE2 2.67Å; K862-E1195 PolarHBondContact NZ-OE2 3.16Å |
| 863 | P | 93.8 | Very high | 89.2 | Confident | 41 Ų | 41 | 76.2 Ų | 76.2 | 27% | 0.266 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 134.4 | 176.2 | -29.5 | 36.6 | 0 | 0 | 0 | 112.6 | Q1163 Y1164 | P863-Q1163 HydrophobicContact CG-CB 3.72Å; P863-Y1164 HydrophobicContact CG-CD2 4.24Å; P863-Y1164 HydrophobicContact CG-CE1 4.22Å; P863-Y1164 HydrophobicContact CG-CE2 3.89Å |
| 864 | Y | 91.1 | Very high | 90.3 | Very high | 210 Ų | 210 | 73.9 Ų | 73.9 | 82% | 0.824 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -122.4 | 140.7 | 178.4 | -171.8 | -88.5 | 0 | 0 | 0 | 110.4 | K862 | K862-Y864 PolarHBondContact O-N 2.68Š|
| 865 | P | 91.9 | Very high | 91 | Very high | 98 Ų | 98 | 78.4 Ų | 78.4 | 64% | 0.636 | 43% | 0.427 | S | S | * | . | S | Bend | cis | -66.5 | 151.5 | -6.9 | 29.5 | -35.9 | 0 | 0 | 0 | 112.2 | ||
| 866 | P | 88 | Confident | 91.7 | Very high | 36 Ų | 36 | 74.1 Ų | 74.1 | 23% | 0.234 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 159.8 | 177 | 28.8 | -35.6 | 0 | 0 | 0 | 111.6 | E1195 | P866-E1195 HydrophobicContact CB-CB 4Å; P866-E1195 WeakPolarHBondContact CB-OE2 3.38Å |
| 867 | P | 89.9 | Confident | 92.3 | Very high | 25 Ų | 25 | 73.3 Ų | 73.3 | 16% | 0.162 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 142.7 | 175.8 | -17.8 | 31.2 | 0 | 0 | 0 | 111.4 | K871 L872 Y1164 P1197 | P867-K871 HydrophobicContact CB-CB 4.29Å; P867-L872 HydrophobicContact CB-CD2 3.97Å; P867-L872 HydrophobicContact CG-CD2 4.02Å; P867-Y1164 WeakPolarHBondContact CD-OH 3.48Å; P867-Y1164 WeakPolarHBondContact CG-OH 3.42Å; P867-P1197 HydrophobicContact CG-CB 4.42Å; P867-P1197 HydrophobicContact CG-CG 4.13Å |
| 868 | P | 91 | Very high | 92.6 | Very high | 69 Ų | 69 | 74.4 Ų | 74.4 | 45% | 0.448 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -49.1 | 144.2 | 163 | -28.6 | 36.8 | 0 | 0 | 0 | 111.5 | D870 K871 | P868-D870 WeakPolarHBondContact CB-OD1 3.14Å; P868-D870 PolarHBondContact O-N 3.08Å; P868-D870 VanDerWaalsContact O-N 3.16Å; P868-K871 HydrophobicContact CB-CG 4.41Å; P868-K871 HydrophobicContact CG-CD 4.4Å; P868-K871 WeakPolarHBondContact O-CA 3.34Å; P868-K871 WeakPolarHBondContact O-CB 3.43Å; P868-K871 PolarHBondContact O-N 2.87Å |
| 869 | K | 89.9 | Confident | 93 | Very high | 99 Ų | 99 | 68.1 Ų | 68.1 | 43% | 0.43 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -61.3 | -30.2 | -170.1 | -64.3 | -110.8 | 172.4 | -163 | 0 | 113.1 | K871 L872 | K869-K871 PolarHBondContact O-N 2.88Å; K869-L872 HydrophobicContact CB-CD1 4.44Å; K869-L872 HydrophobicContact CD-CD1 4.1Å; K869-L872 HydrophobicContact CG-CD1 4.44Å; K869-L872 PolarHBondContact O-N 2.81Å |
| 870 | D | 88.1 | Confident | 93.1 | Very high | 124 Ų | 124 | 74.2 Ų | 74.2 | 66% | 0.663 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -62.9 | -23.4 | 170.8 | 56.8 | -66.1 | 0 | 0 | 0 | 113.8 | P868 | P868-D870 WeakPolarHBondContact CB-OD1 3.14Å; P868-D870 PolarHBondContact O-N 3.08Å; P868-D870 VanDerWaalsContact O-N 3.16Å |
| 871 | K | 90.9 | Very high | 93.2 | Very high | 123 Ų | 123 | 72.9 Ų | 72.9 | 54% | 0.535 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -99.7 | 6.4 | 179.3 | -55.8 | -171.5 | -177.1 | 175 | 0 | 113.8 | P867 P868 K869 L873 P874 | P867-K871 HydrophobicContact CB-CB 4.29Å; P868-K871 HydrophobicContact CB-CG 4.41Å; P868-K871 HydrophobicContact CG-CD 4.4Å; P868-K871 WeakPolarHBondContact O-CA 3.34Å; P868-K871 WeakPolarHBondContact O-CB 3.43Å; P868-K871 PolarHBondContact O-N 2.87Å; K869-K871 PolarHBondContact O-N 2.88Å; K871-L873 VanDerWaalsContact C-N 3.28Å; K871-P874 WeakPolarHBondContact O-CD 3.5Å |
| 872 | L | 94 | Very high | 93.2 | Very high | 2 Ų | 2 | 77.6 Ų | 77.6 | 1% | 0.01 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -77.2 | -14.7 | 172.3 | -65 | 176.2 | 0 | 0 | 0 | 113 | P867 K869 P874 Y1192 E1195 P1197 V1198 | P867-L872 HydrophobicContact CB-CD2 3.97Å; P867-L872 HydrophobicContact CG-CD2 4.02Å; K869-L872 HydrophobicContact CB-CD1 4.44Å; K869-L872 HydrophobicContact CD-CD1 4.1Å; K869-L872 HydrophobicContact CG-CD1 4.44Å; K869-L872 PolarHBondContact O-N 2.81Å; L872-P874 WeakPolarHBondContact O-CD 3.41Å; L872-Y1192 HydrophobicContact CB-CD2 3.87Å; L872-Y1192 HydrophobicContact CB-CE2 4.07Å; L872-Y1192 HydrophobicContact CD1-CD2 3.66Å; L872-Y1192 HydrophobicContact CD1-CE2 3.71Å; L872-Y1192 HydrophobicContact CD1-CG 4.46Å; L872-Y1192 HydrophobicContact CG-CD2 4.43Å; L872-E1195 VanDerWaalsContact CD2-C 3.43Å; L872-E1195 HydrophobicContact CD2-CB 4.31Å; L872-E1195 WeakPolarHBondContact CD2-O 3.38Å; L872-P1197 HydrophobicContact CD2-CB 4.38Å; L872-P1197 CarbonylContact O-C 3.47Å; L872-P1197 WeakPolarHBondContact O-CA 3.38Å; L872-V1198 PolarHBondContact O-N 3.37Å |
| 873 | L | 94.5 | Very high | 93.2 | Very high | 123 Ų | 123 | 77.1 Ų | 77.1 | 64% | 0.644 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -120.8 | 67.3 | 169.1 | -65.5 | 174.5 | 0 | 0 | 0 | 109.9 | K871 | K871-L873 VanDerWaalsContact C-N 3.28Š|
| 874 | P | 94.8 | Very high | 93.2 | Very high | 20 Ų | 20 | 81.1 Ų | 81.1 | 13% | 0.13 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 145 | -175.1 | 28.5 | -35.6 | 0 | 0 | 0 | 112.2 | K871 L872 T876 P1197 Y1199 | K871-P874 WeakPolarHBondContact O-CD 3.5Å; L872-P874 WeakPolarHBondContact O-CD 3.41Å; P874-T876 PolarHBondContact O-N 3.5Å; P874-P1197 HydrophobicContact CG-CB 4.47Å; P874-Y1199 HydrophobicContact CB-CD1 4.14Å; P874-Y1199 HydrophobicContact CB-CE1 3.64Å; P874-Y1199 HydrophobicContact CG-CD1 3.65Å; P874-Y1199 HydrophobicContact CG-CD2 3.97Å; P874-Y1199 HydrophobicContact CG-CE1 3.46Å; P874-Y1199 VanDerWaalsContact CG-CE1 3.46Å; P874-Y1199 HydrophobicContact CG-CE2 3.75Å; P874-Y1199 HydrophobicContact CG-CG 3.92Å; P874-Y1199 VanDerWaalsContact CG-CZ 3.5Å |
| 875 | P | 94.9 | Very high | 93.3 | Very high | 120 Ų | 120 | 77.2 Ų | 77.2 | 78% | 0.779 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 133.3 | 175.5 | 27.9 | -34.3 | 0 | 0 | 0 | 110.2 | P877 | P875-P877 WeakPolarHBondContact O-CD 3.46Š|
| 876 | T | 96.6 | Very high | 93.4 | Very high | 21 Ų | 21 | 74.9 Ų | 74.9 | 13% | 0.129 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 123 | -175.8 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | P874 S878 V901 V903 R1200 F1201 | P874-T876 PolarHBondContact O-N 3.5Å; T876-S878 PolarHBondContact O-N 3.47Å; T876-S878 PolarHBondContact O-OG 2.91Å; T876-V901 HydrophobicContact CG2-CG1 4.4Å; T876-V903 HydrophobicContact CG2-CG2 3.75Å; T876-R1200 PolarHBondContact OG1-O 2.99Å; T876-F1201 HydrophobicContact CG2-CB 4.07Å; T876-F1201 HydrophobicContact CG2-CD1 3.46Å; T876-F1201 VanDerWaalsContact CG2-CD1 3.46Å; T876-F1201 HydrophobicContact CG2-CD2 4.49Å; T876-F1201 HydrophobicContact CG2-CE1 3.94Å; T876-F1201 HydrophobicContact CG2-CG 3.76Å; T876-F1201 WeakPolarHBondContact OG1-CD1 3.48Å |
| 877 | P | 97.3 | Very high | 93.7 | Very high | 12 Ų | 12 | 73.2 Ų | 73.2 | 8% | 0.078 | 37% | 0.373 | C | S | . | . | trans | -50.1 | 114.6 | 173.8 | -29.5 | 37.6 | 0 | 0 | 0 | 111.4 | P875 Y895 Q899 V901 V902 V903 Y1199 | P875-P877 WeakPolarHBondContact O-CD 3.46Å; P877-Y895 HydrophobicContact CB-CE1 4.04Å; P877-Q899 HydrophobicContact CB-CB 4.31Å; P877-Q899 HydrophobicContact CB-CG 4.02Å; P877-Q899 HydrophobicContact CG-CB 4.11Å; P877-Q899 HydrophobicContact CG-CG 4.01Å; P877-V901 WeakPolarHBondContact CB-O 3.31Å; P877-V901 WeakPolarHBondContact CG-O 3.38Å; P877-V902 HydrophobicContact CB-CG2 4.16Å; P877-V902 CarbonylContact O-C 3.52Å; P877-V902 WeakPolarHBondContact O-CA 3.25Å; P877-V903 PolarHBondContact O-N 3.47Å; P877-Y1199 HydrophobicContact CG-CE1 4.48Å | ||
| 878 | S | 96.6 | Very high | 93.9 | Very high | 41 Ų | 41 | 75.2 Ų | 75.2 | 29% | 0.287 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 124 | -174.7 | -64.6 | 0 | 0 | 0 | 0 | 109.4 | T876 V903 | T876-S878 PolarHBondContact O-N 3.47Å; T876-S878 PolarHBondContact O-OG 2.91Å; S878-V903 WeakPolarHBondContact CA-O 3.39Å |
| 879 | V | 97 | Very high | 94 | Very high | 36 Ų | 36 | 73.4 Ų | 73.4 | 22% | 0.218 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.5 | 175.4 | -173.3 | 0 | 0 | 0 | 0 | 108.4 | L881 L892 Y895 V902 V903 I904 R905 | V879-L881 HydrophobicContact CG1-CD2 4.02Å; V879-L892 HydrophobicContact CB-CD1 4.18Å; V879-L892 HydrophobicContact CG1-CD1 4.03Å; V879-L892 HydrophobicContact CG2-CD1 4.13Å; V879-Y895 HydrophobicContact CG2-CD1 3.68Å; V879-Y895 HydrophobicContact CG2-CE1 3.72Å; V879-V902 HydrophobicContact CG2-CG1 3.98Å; V879-V903 PolarHBondContact N-O 2.85Å; V879-I904 CarbonylContact O-C 3.27Å; V879-I904 WeakPolarHBondContact O-CA 3.18Å; V879-R905 PolarHBondContact O-N 3.04Å |
| 880 | Y | 96.8 | Very high | 94.2 | Very high | 161 Ų | 161 | 71.6 Ų | 71.6 | 63% | 0.631 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131.6 | 178 | -64.6 | -102.7 | 0 | 0 | 0 | 108.7 | R905 | Y880-R905 HydrophobicContact CD1-CB 3.62Å; Y880-R905 HydrophobicContact CD1-CG 3.94Å; Y880-R905 HydrophobicContact CE1-CB 3.9Å; Y880-R905 HydrophobicContact CE1-CG 3.75Å; Y880-R905 HydrophobicContact CE2-CG 4.32Å; Y880-R905 HydrophobicContact CG-CB 4.08Å; Y880-R905 HydrophobicContact CG-CG 4.32Å |
| 881 | L | 95.7 | Very high | 94.5 | Very high | 17 Ų | 17 | 70.8 Ų | 70.8 | 9% | 0.089 | 36% | 0.359 | C | S | . | . | trans | -112.1 | 124.5 | 178.6 | -52.1 | -178.1 | 0 | 0 | 0 | 109.3 | V879 D886 A887 L892 I904 R905 L907 A910 | V879-L881 HydrophobicContact CG1-CD2 4.02Å; L881-D886 HydrophobicContact CB-CB 4.26Å; L881-D886 HydrophobicContact CD2-CB 3.66Å; L881-D886 HydrophobicContact CG-CB 4.49Å; L881-A887 HydrophobicContact CD1-CB 3.86Å; L881-L892 HydrophobicContact CD1-CD2 4.39Å; L881-L892 HydrophobicContact CD2-CD2 4.16Å; L881-I904 HydrophobicContact CD1-CG2 3.31Å; L881-I904 HydrophobicContact CD2-CG2 4.34Å; L881-I904 HydrophobicContact CG-CG2 3.71Å; L881-R905 PolarHBondContact N-O 2.83Å; L881-L907 HydrophobicContact CD1-CB 4.37Å; L881-L907 HydrophobicContact CD1-CD1 3.46Å; L881-L907 VanDerWaalsContact CD1-CD1 3.46Å; L881-A910 HydrophobicContact CB-CB 3.94Å | ||
| 882 | E | 90.8 | Very high | 94.7 | Very high | 180 Ų | 180 | 65.4 Ų | 65.4 | 84% | 0.841 | 34% | 0.336 | S | S | * | . | trans | -92.6 | -33.7 | 176.9 | -61.2 | -171.2 | 165.4 | 0 | 0 | 111 | D886 | E882-D886 PolarHBondContact N-OD2 2.9Š| ||
| 883 | N | 92.8 | Very high | 94.7 | Very high | 62 Ų | 62 | 68.4 Ų | 68.4 | 33% | 0.332 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -144.4 | 173.1 | -172.5 | 76.8 | 83.7 | 0 | 0 | 0 | 113.3 | N885 D886 | N883-N885 VanDerWaalsContact C-N 3.31Å; N883-N885 PolarHBondContact O-N 2.92Å; N883-N885 VanDerWaalsContact OD1-CB 3.25Å; N883-N885 WeakPolarHBondContact OD1-CB 3.42Å; N883-N885 PolarHBondContact OD1-N 3.24Å; N883-D886 PolarHBondContact N-OD2 3.34Å; N883-D886 PolarHBondContact ND2-OD1 3.46Å; N883-D886 PolarHBondContact ND2-OD2 3.35Å; N883-D886 PolarHBondContact O-N 3.28Å |
| 884 | R | 93.7 | Very high | 94.7 | Very high | 125 Ų | 125 | 69.3 Ų | 69.3 | 47% | 0.472 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.5 | -28.5 | -175.6 | 175.8 | 165.7 | -178.2 | 145.2 | 6 | 114 | A887 H888 L911 | R884-A887 PolarHBondContact O-N 2.92Å; R884-H888 WeakPolarHBondContact CG-NE2 3.44Å; R884-H888 PolarHBondContact NE-NE2 2.85Å; R884-H888 PolarHBondContact NH2-NE2 3.47Å; R884-H888 VanDerWaalsContact NH2-NE2 3.13Å; R884-H888 PolarHBondContact O-CD2 3.3Å; R884-H888 PolarHBondContact O-N 3.11Å; R884-L911 HydrophobicContact CB-CD2 4.49Å; R884-L911 HydrophobicContact CG-CD2 3.97Å |
| 885 | N | 94.2 | Very high | 94.8 | Very high | 127 Ų | 127 | 72.8 Ų | 72.8 | 68% | 0.679 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -71.5 | -39.6 | -178.3 | -59.4 | -24.5 | 0 | 0 | 0 | 110.8 | N883 A887 H888 S889 | N883-N885 VanDerWaalsContact C-N 3.31Å; N883-N885 PolarHBondContact O-N 2.92Å; N883-N885 VanDerWaalsContact OD1-CB 3.25Å; N883-N885 WeakPolarHBondContact OD1-CB 3.42Å; N883-N885 PolarHBondContact OD1-N 3.24Å; N885-A887 VanDerWaalsContact C-N 3.25Å; N885-A887 PolarHBondContact O-N 3.16Å; N885-H888 CarbonylContact O-C 3.58Å; N885-H888 PolarHBondContact O-N 2.88Å; N885-S889 PolarHBondContact O-N 2.84Å; N885-S889 VanDerWaalsContact O-N 3.08Å |
| 886 | D | 94.5 | Very high | 94.9 | Very high | 50 Ų | 50 | 67 Ų | 67 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -55.4 | -43.9 | 175.4 | -40.6 | -24.1 | 0 | 0 | 0 | 110.6 | L881 E882 N883 H888 S889 | L881-D886 HydrophobicContact CB-CB 4.26Å; L881-D886 HydrophobicContact CD2-CB 3.66Å; L881-D886 HydrophobicContact CG-CB 4.49Å; E882-D886 PolarHBondContact N-OD2 2.9Å; N883-D886 PolarHBondContact N-OD2 3.34Å; N883-D886 PolarHBondContact ND2-OD1 3.46Å; N883-D886 PolarHBondContact ND2-OD2 3.35Å; N883-D886 PolarHBondContact O-N 3.28Å; D886-H888 VanDerWaalsContact C-N 3.29Å; D886-H888 PolarHBondContact O-N 3.17Å; D886-S889 VanDerWaalsContact O-CB 3.32Å; D886-S889 WeakPolarHBondContact O-CB 3.34Å; D886-S889 PolarHBondContact O-N 2.99Å |
| 887 | A | 93.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.4 | -33 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L881 R884 N885 L907 L911 P1098 | L881-A887 HydrophobicContact CD1-CB 3.86Å; R884-A887 PolarHBondContact O-N 2.92Å; N885-A887 VanDerWaalsContact C-N 3.25Å; N885-A887 PolarHBondContact O-N 3.16Å; A887-L907 HydrophobicContact CB-CD1 4Å; A887-L911 HydrophobicContact CB-CD1 4.35Å; A887-L911 HydrophobicContact CB-CD2 3.72Å; A887-L911 HydrophobicContact CB-CG 4.04Å; A887-P1098 HydrophobicContact CB-CG 4.25Å; A887-P1098 WeakPolarHBondContact O-CB 3.49Å; A887-P1098 WeakPolarHBondContact O-CG 3.05Å |
| 888 | H | 93.9 | Very high | 94.7 | Very high | 68 Ų | 68 | 72.9 Ų | 72.9 | 32% | 0.315 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 7.8 | -179.7 | -67.3 | -61.8 | 0 | 0 | 0 | 113.4 | R884 N885 D886 L911 K1096 L1097 P1098 | R884-H888 WeakPolarHBondContact CG-NE2 3.44Å; R884-H888 PolarHBondContact NE-NE2 2.85Å; R884-H888 PolarHBondContact NH2-NE2 3.47Å; R884-H888 VanDerWaalsContact NH2-NE2 3.13Å; R884-H888 PolarHBondContact O-CD2 3.3Å; R884-H888 PolarHBondContact O-N 3.11Å; N885-H888 CarbonylContact O-C 3.58Å; N885-H888 PolarHBondContact O-N 2.88Å; D886-H888 VanDerWaalsContact C-N 3.29Å; D886-H888 PolarHBondContact O-N 3.17Å; H888-L911 WeakPolarHBondContact NE2-CD2 3.44Å; H888-K1096 PolarHBondContact CE1-O 3.34Å; H888-K1096 PolarHBondContact NE2-O 2.78Å; H888-L1097 PolarHBondContact CE1-O 3.43Å; H888-P1098 WeakPolarHBondContact CE1-CA 3.35Å |
| 889 | S | 94 | Very high | 94.7 | Very high | 30 Ų | 30 | 73.2 Ų | 73.2 | 21% | 0.21 | 35% | 0.348 | C | S | . | . | trans | -63.6 | 132 | 177 | 162.5 | 0 | 0 | 0 | 0 | 112.2 | N885 D886 E891 L892 | N885-S889 PolarHBondContact O-N 2.84Å; N885-S889 VanDerWaalsContact O-N 3.08Å; D886-S889 VanDerWaalsContact O-CB 3.32Å; D886-S889 WeakPolarHBondContact O-CB 3.34Å; D886-S889 PolarHBondContact O-N 2.99Å; S889-E891 PolarHBondContact O-N 3.31Å; S889-E891 WeakPolarHBondContact OG-CB 3.12Å; S889-E891 PolarHBondContact OG-N 3.18Å; S889-E891 PolarHBondContact OG-OE2 3.37Å; S889-L892 PolarHBondContact O-N 3.01Å; S889-L892 PolarHBondContact OG-N 3.14Å | ||
| 890 | P | 92.4 | Very high | 94.7 | Very high | 62 Ų | 62 | 72.5 Ų | 72.5 | 40% | 0.403 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.3 | -26.9 | 168.4 | -23.9 | 34.5 | 0 | 0 | 0 | 113.6 | M893 R894 | P890-M893 PolarHBondContact O-N 3.21Å; P890-R894 WeakPolarHBondContact O-CG 3.33Å; P890-R894 PolarHBondContact O-N 3.2Å |
| 891 | E | 94.5 | Very high | 94.8 | Very high | 107 Ų | 107 | 64.8 Ų | 64.8 | 50% | 0.5 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.9 | -37.9 | -179.7 | -61.5 | 58.1 | -124.8 | 0 | 0 | 111 | S889 R894 Y895 | S889-E891 PolarHBondContact O-N 3.31Å; S889-E891 WeakPolarHBondContact OG-CB 3.12Å; S889-E891 PolarHBondContact OG-N 3.18Å; S889-E891 PolarHBondContact OG-OE2 3.37Å; E891-R894 PolarHBondContact O-N 3.04Å; E891-R894 IonicContact OE1-CZ 3.73Å; E891-R894 IonicContact OE1-NH1 2.86Å; E891-R894 PolarHBondContact OE1-NH1 3.27Å; E891-R894 IonicContact OE1-NH2 3.83Å; E891-Y895 WeakPolarHBondContact O-CB 3.45Å; E891-Y895 PolarHBondContact O-N 2.88Å |
| 892 | L | 95.8 | Very high | 94.9 | Very high | 10 Ų | 10 | 64 Ų | 64 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 171.4 | 175.3 | 60.7 | 0 | 0 | 0 | 111.4 | V879 L881 S889 Y895 C896 I904 F1100 | V879-L892 HydrophobicContact CB-CD1 4.18Å; V879-L892 HydrophobicContact CG1-CD1 4.03Å; V879-L892 HydrophobicContact CG2-CD1 4.13Å; L881-L892 HydrophobicContact CD1-CD2 4.39Å; L881-L892 HydrophobicContact CD2-CD2 4.16Å; S889-L892 PolarHBondContact O-N 3.01Å; S889-L892 PolarHBondContact OG-N 3.14Å; L892-Y895 PolarHBondContact O-N 2.92Å; L892-C896 PolarHBondContact O-N 3.31Å; L892-C896 PolarHBondContact O-SG 2.94Å; L892-I904 HydrophobicContact CD1-CD1 4.02Å; L892-I904 HydrophobicContact CD1-CG1 4.37Å; L892-I904 HydrophobicContact CD2-CD1 4.32Å; L892-I904 HydrophobicContact CG-CD1 4.43Å; L892-F1100 HydrophobicContact CG-CE1 4.39Å; L892-F1100 HydrophobicContact CG-CZ 4.14Å |
| 893 | M | 94.4 | Very high | 95.3 | Very high | 65 Ų | 65 | 55.4 Ų | 55.4 | 32% | 0.32 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60 | -48 | 175.9 | 177 | -177.5 | 66 | 0 | 0 | 111.7 | P890 Y895 C896 F897 F1100 | P890-M893 PolarHBondContact O-N 3.21Å; M893-Y895 VanDerWaalsContact C-N 3.32Å; M893-Y895 PolarHBondContact O-N 3.18Å; M893-C896 PolarHBondContact O-N 3.49Å; M893-F897 HydrophobicContact CG-CD2 4.41Å; M893-F897 HydrophobicContact CG-CE1 3.98Å; M893-F897 HydrophobicContact CG-CE2 3.7Å; M893-F897 HydrophobicContact CG-CZ 3.45Å; M893-F897 VanDerWaalsContact CG-CZ 3.45Å; M893-F897 WeakPolarHBondContact O-CD1 3.37Å; M893-F897 WeakPolarHBondContact O-CG 3.38Å; M893-F897 PolarHBondContact O-N 3.23Å; M893-F897 HydrophobicContact SD-CE2 4.21Å; M893-F897 HydrophobicContact SD-CZ 4.08Å; M893-F1100 HydrophobicContact CB-CB 4.47Å; M893-F1100 HydrophobicContact CB-CD1 3.72Å; M893-F1100 HydrophobicContact CB-CD2 4.33Å; M893-F1100 HydrophobicContact CB-CE1 3.94Å; M893-F1100 HydrophobicContact CB-CG 3.93Å; M893-F1100 HydrophobicContact CB-CZ 4.34Å; M893-F1100 HydrophobicContact CG-CB 3.77Å; M893-F1100 HydrophobicContact CG-CD1 3.98Å; M893-F1100 HydrophobicContact CG-CD2 4.06Å; M893-F1100 HydrophobicContact CG-CG 3.68Å; M893-F1100 HydrophobicContact SD-CB 3.74Å; M893-F1100 HydrophobicContact SD-CD1 4.5Å; M893-F1100 HydrophobicContact SD-CG 4.25Å |
| 894 | R | 94.4 | Very high | 95.5 | Very high | 142 Ų | 142 | 52.6 Ų | 52.6 | 54% | 0.536 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 176.3 | -68.7 | -173.2 | -157.2 | 100.1 | -1.3 | 111.4 | P890 E891 F897 T898 | P890-R894 WeakPolarHBondContact O-CG 3.33Å; P890-R894 PolarHBondContact O-N 3.2Å; E891-R894 PolarHBondContact O-N 3.04Å; E891-R894 IonicContact OE1-CZ 3.73Å; E891-R894 IonicContact OE1-NH1 2.86Å; E891-R894 PolarHBondContact OE1-NH1 3.27Å; E891-R894 IonicContact OE1-NH2 3.83Å; R894-F897 PolarHBondContact O-N 3.46Å; R894-T898 WeakPolarHBondContact O-CG2 3.28Å; R894-T898 PolarHBondContact O-N 2.91Å |
| 895 | Y | 96.3 | Very high | 95.7 | Very high | 92 Ų | 92 | 47.9 Ų | 47.9 | 36% | 0.361 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.2 | -49.6 | 179.4 | -171.8 | -109.1 | 0 | 0 | 0 | 111.6 | P877 V879 E891 L892 M893 F897 T898 Q899 V902 | P877-Y895 HydrophobicContact CB-CE1 4.04Å; V879-Y895 HydrophobicContact CG2-CD1 3.68Å; V879-Y895 HydrophobicContact CG2-CE1 3.72Å; E891-Y895 WeakPolarHBondContact O-CB 3.45Å; E891-Y895 PolarHBondContact O-N 2.88Å; L892-Y895 PolarHBondContact O-N 2.92Å; M893-Y895 VanDerWaalsContact C-N 3.32Å; M893-Y895 PolarHBondContact O-N 3.18Å; Y895-F897 PolarHBondContact O-N 3.42Å; Y895-T898 PolarHBondContact O-N 3.06Å; Y895-T898 PolarHBondContact O-OG1 3.22Å; Y895-Q899 HydrophobicContact CD1-CG 4.44Å; Y895-Q899 HydrophobicContact CD2-CG 4.48Å; Y895-Q899 HydrophobicContact CE1-CG 4.09Å; Y895-Q899 HydrophobicContact CE2-CG 4.14Å; Y895-Q899 PolarHBondContact O-N 3.04Å; Y895-V902 HydrophobicContact CD1-CG1 4.19Å; Y895-V902 HydrophobicContact CD1-CG2 4.16Å; Y895-V902 HydrophobicContact CE1-CG1 4.14Å; Y895-V902 HydrophobicContact CE1-CG2 4.19Å |
| 896 | C | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.1 | -35.9 | 175.4 | -73.7 | 0 | 0 | 0 | 0 | 113.5 | L892 M893 T898 F1100 W1210 N1212 | L892-C896 PolarHBondContact O-N 3.31Å; L892-C896 PolarHBondContact O-SG 2.94Å; M893-C896 PolarHBondContact O-N 3.49Å; C896-T898 VanDerWaalsContact C-N 3.32Å; C896-T898 PolarHBondContact O-N 3.39Å; C896-F1100 HydrophobicContact CB-CE2 3.94Å; C896-W1210 HydrophobicContact CB-CD2 4.01Å; C896-W1210 HydrophobicContact CB-CG 3.94Å; C896-W1210 PolarHBondContact O-NE1 2.91Å; C896-N1212 PolarHBondContact O-ND2 2.84Å |
| 897 | F | 94.6 | Very high | 95.7 | Very high | 59 Ų | 59 | 40.9 Ų | 40.9 | 26% | 0.259 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -76.2 | -15.9 | 178.9 | -61.4 | -5.3 | 0 | 0 | 0 | 113.8 | M893 R894 Y895 F1100 W1210 N1212 C1234 T1236 | M893-F897 HydrophobicContact CG-CD2 4.41Å; M893-F897 HydrophobicContact CG-CE1 3.98Å; M893-F897 HydrophobicContact CG-CE2 3.7Å; M893-F897 HydrophobicContact CG-CZ 3.45Å; M893-F897 VanDerWaalsContact CG-CZ 3.45Å; M893-F897 WeakPolarHBondContact O-CD1 3.37Å; M893-F897 WeakPolarHBondContact O-CG 3.38Å; M893-F897 PolarHBondContact O-N 3.23Å; M893-F897 HydrophobicContact SD-CE2 4.21Å; M893-F897 HydrophobicContact SD-CZ 4.08Å; R894-F897 PolarHBondContact O-N 3.46Å; Y895-F897 PolarHBondContact O-N 3.42Å; F897-F1100 HydrophobicContact CE1-CD2 4Å; F897-F1100 HydrophobicContact CZ-CB 4.36Å; F897-F1100 HydrophobicContact CZ-CD2 4.49Å; F897-W1210 HydrophobicContact CD1-CH2 4.3Å; F897-W1210 AromaticContact CD1-CZ2 3.71Å; F897-W1210 HydrophobicContact CD1-CZ2 3.71Å; F897-W1210 AromaticContact CE1-CH2 3.8Å; F897-W1210 HydrophobicContact CE1-CH2 3.8Å; F897-W1210 AromaticContact CE1-CZ2 3.7Å; F897-W1210 HydrophobicContact CE1-CZ2 3.7Å; F897-N1212 VanDerWaalsContact C-ND2 3.33Å; F897-N1212 PolarHBondContact O-ND2 3.05Å; F897-C1234 HydrophobicContact CE1-CB 4.12Å; F897-C1234 WeakPolarHBondContact CE1-SG 3.26Å; F897-C1234 HydrophobicContact CE2-CB 4.31Å; F897-C1234 HydrophobicContact CZ-CB 3.96Å; F897-T1236 HydrophobicContact CD2-CG2 4.23Å; F897-T1236 HydrophobicContact CE2-CG2 4.38Å |
| 898 | T | 95 | Very high | 95.7 | Very high | 96 Ų | 96 | 41.3 Ų | 41.3 | 59% | 0.589 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -93.5 | -22 | 179.4 | 63 | 0 | 0 | 0 | 0 | 114.9 | R894 Y895 C896 | R894-T898 WeakPolarHBondContact O-CG2 3.28Å; R894-T898 PolarHBondContact O-N 2.91Å; Y895-T898 PolarHBondContact O-N 3.06Å; Y895-T898 PolarHBondContact O-OG1 3.22Å; C896-T898 VanDerWaalsContact C-N 3.32Å; C896-T898 PolarHBondContact O-N 3.39Å |
| 899 | Q | 96.9 | Very high | 95.8 | Very high | 49 Ų | 49 | 41.8 Ų | 41.8 | 23% | 0.229 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -102.1 | 150.9 | -175.3 | -57 | -53.3 | -59.3 | 0 | 0 | 110.6 | P877 Y895 V902 N1212 | P877-Q899 HydrophobicContact CB-CB 4.31Å; P877-Q899 HydrophobicContact CB-CG 4.02Å; P877-Q899 HydrophobicContact CG-CB 4.11Å; P877-Q899 HydrophobicContact CG-CG 4.01Å; Y895-Q899 HydrophobicContact CD1-CG 4.44Å; Y895-Q899 HydrophobicContact CD2-CG 4.48Å; Y895-Q899 HydrophobicContact CE1-CG 4.09Å; Y895-Q899 HydrophobicContact CE2-CG 4.14Å; Y895-Q899 PolarHBondContact O-N 3.04Å; Q899-V902 HydrophobicContact CB-CG2 3.62Å; Q899-V902 HydrophobicContact CG-CG2 3.98Å; Q899-N1212 WeakPolarHBondContact O-CB 3.4Å; Q899-N1212 PolarHBondContact O-ND2 2.96Å |
| 900 | P | 97.3 | Very high | 95.8 | Very high | 20 Ų | 20 | 41 Ų | 41 | 13% | 0.13 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -67.3 | -38.8 | 175.4 | 26.7 | -33.1 | 0 | 0 | 0 | 111.8 | P1161 Y1199 N1212 T1215 | P900-P1161 HydrophobicContact CB-CB 4.41Å; P900-P1161 HydrophobicContact CG-CG 4.36Å; P900-Y1199 HydrophobicContact CG-CD2 4.22Å; P900-Y1199 HydrophobicContact CG-CE2 3.55Å; P900-N1212 WeakPolarHBondContact O-CB 3.26Å; P900-N1212 PolarHBondContact O-N 3.03Å; P900-T1215 HydrophobicContact CB-CG2 4.02Å; P900-T1215 PolarHBondContact O-OG1 3.13Å |
| 901 | V | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 142 | 177 | 56.6 | 0 | 0 | 0 | 0 | 109.8 | T876 P877 Y1199 F1201 V1209 W1210 I1211 | T876-V901 HydrophobicContact CG2-CG1 4.4Å; P877-V901 WeakPolarHBondContact CB-O 3.31Å; P877-V901 WeakPolarHBondContact CG-O 3.38Å; V901-Y1199 HydrophobicContact CG1-CD1 4.32Å; V901-Y1199 HydrophobicContact CG1-CD2 4.31Å; V901-Y1199 HydrophobicContact CG1-CG 3.94Å; V901-F1201 HydrophobicContact CG1-CE1 4.24Å; V901-F1201 HydrophobicContact CG2-CE1 3.65Å; V901-F1201 HydrophobicContact CG2-CZ 3.57Å; V901-V1209 HydrophobicContact CG2-CG1 4.01Å; V901-W1210 VanDerWaalsContact CA-O 3.31Å; V901-W1210 WeakPolarHBondContact CA-O 3.32Å; V901-I1211 HydrophobicContact CB-CD1 4.34Å; V901-I1211 HydrophobicContact CG2-CD1 3.83Å |
| 902 | V | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.9 | 171.9 | -175.9 | 0 | 0 | 0 | 0 | 110 | P877 V879 Y895 Q899 I904 W1210 | P877-V902 HydrophobicContact CB-CG2 4.16Å; P877-V902 CarbonylContact O-C 3.52Å; P877-V902 WeakPolarHBondContact O-CA 3.25Å; V879-V902 HydrophobicContact CG2-CG1 3.98Å; Y895-V902 HydrophobicContact CD1-CG1 4.19Å; Y895-V902 HydrophobicContact CD1-CG2 4.16Å; Y895-V902 HydrophobicContact CE1-CG1 4.14Å; Y895-V902 HydrophobicContact CE1-CG2 4.19Å; Q899-V902 HydrophobicContact CB-CG2 3.62Å; Q899-V902 HydrophobicContact CG-CG2 3.98Å; V902-I904 HydrophobicContact CG1-CG1 4.34Å; V902-W1210 HydrophobicContact CB-CB 4.29Å; V902-W1210 PolarHBondContact N-O 3.48Å; V902-W1210 PolarHBondContact O-N 3.18Å |
| 903 | V | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 114.2 | 170.9 | -162.5 | 0 | 0 | 0 | 0 | 109.9 | T876 P877 S878 V879 R905 F1201 D1207 V1209 | T876-V903 HydrophobicContact CG2-CG2 3.75Å; P877-V903 PolarHBondContact O-N 3.47Å; S878-V903 WeakPolarHBondContact CA-O 3.39Å; V879-V903 PolarHBondContact N-O 2.85Å; V903-R905 VanDerWaalsContact CG1-CZ 3.49Å; V903-R905 PolarHBondContact O-N 3.29Å; V903-F1201 HydrophobicContact CG2-CD2 3.39Å; V903-F1201 HydrophobicContact CG2-CE1 4.49Å; V903-F1201 HydrophobicContact CG2-CE2 3.37Å; V903-F1201 HydrophobicContact CG2-CG 3.99Å; V903-F1201 HydrophobicContact CG2-CZ 3.94Å; V903-D1207 HydrophobicContact CG1-CB 4.25Å; V903-V1209 HydrophobicContact CG1-CG2 4.31Å |
| 904 | I | 98.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 101.2 | 177.6 | -50.8 | -176.2 | 0 | 0 | 0 | 108 | V879 L881 L892 V902 L907 D1207 L1208 | V879-I904 CarbonylContact O-C 3.27Å; V879-I904 WeakPolarHBondContact O-CA 3.18Å; L881-I904 HydrophobicContact CD1-CG2 3.31Å; L881-I904 HydrophobicContact CD2-CG2 4.34Å; L881-I904 HydrophobicContact CG-CG2 3.71Å; L892-I904 HydrophobicContact CD1-CD1 4.02Å; L892-I904 HydrophobicContact CD1-CG1 4.37Å; L892-I904 HydrophobicContact CD2-CD1 4.32Å; L892-I904 HydrophobicContact CG-CD1 4.43Å; V902-I904 HydrophobicContact CG1-CG1 4.34Å; I904-L907 HydrophobicContact CG2-CB 4.17Å; I904-L907 HydrophobicContact CG2-CD1 4.3Å; I904-D1207 WeakPolarHBondContact O-CA 3.35Å; I904-L1208 HydrophobicContact CB-CB 4.31Å; I904-L1208 HydrophobicContact CD1-CD2 4.02Å; I904-L1208 HydrophobicContact CG1-CD2 4.36Å; I904-L1208 PolarHBondContact N-O 3.3Å; I904-L1208 PolarHBondContact O-N 3.44Å |
| 905 | R | 97.8 | Very high | 96.3 | Very high | 25 Ų | 25 | 39.5 Ų | 39.5 | 9% | 0.094 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 133.5 | -173.9 | -56.4 | -64.2 | -175.5 | 173.8 | -4 | 111.4 | V879 Y880 L881 V903 L907 I1202 D1207 | V879-R905 PolarHBondContact O-N 3.04Å; Y880-R905 HydrophobicContact CD1-CB 3.62Å; Y880-R905 HydrophobicContact CD1-CG 3.94Å; Y880-R905 HydrophobicContact CE1-CB 3.9Å; Y880-R905 HydrophobicContact CE1-CG 3.75Å; Y880-R905 HydrophobicContact CE2-CG 4.32Å; Y880-R905 HydrophobicContact CG-CB 4.08Å; Y880-R905 HydrophobicContact CG-CG 4.32Å; L881-R905 PolarHBondContact N-O 2.83Å; V903-R905 VanDerWaalsContact CG1-CZ 3.49Å; V903-R905 PolarHBondContact O-N 3.29Å; R905-L907 VanDerWaalsContact C-N 3.28Å; R905-L907 PolarHBondContact O-N 3.03Å; R905-I1202 VanDerWaalsContact CZ-O 3.3Å; R905-I1202 PolarHBondContact NH1-O 3.07Å; R905-I1202 PolarHBondContact NH2-O 3.29Å; R905-D1207 VanDerWaalsContact CA-OD1 3.24Å; R905-D1207 WeakPolarHBondContact CA-OD1 3.3Å; R905-D1207 VanDerWaalsContact CD-OD2 3.28Å; R905-D1207 WeakPolarHBondContact CD-OD2 3.02Å; R905-D1207 IonicContact CZ-OD2 2.67Å; R905-D1207 IonicContact NE-OD2 2.8Å; R905-D1207 IonicContact NH1-OD2 2.64Å; R905-D1207 PolarHBondContact NH1-OD2 3.48Å |
| 906 | G | 91.5 | Very high | 96.3 | Very high | 27 Ų | 27 | 36.9 Ų | 36.9 | 28% | 0.278 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | 11.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | A908 A909 A910 D1207 | G906-A908 VanDerWaalsContact C-N 3.27Å; G906-A908 PolarHBondContact O-N 3.44Å; G906-A909 WeakPolarHBondContact O-CB 3.48Å; G906-A909 PolarHBondContact O-N 3.48Å; G906-A910 PolarHBondContact O-N 3.35Å; G906-D1207 PolarHBondContact N-OD1 2.94Å |
| 907 | L | 95.9 | Very high | 96.3 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -51.3 | -43.3 | -177.1 | -179.3 | 71.2 | 0 | 0 | 0 | 113.1 | L881 A887 I904 R905 A909 A910 L911 L1097 G1206 L1208 | L881-L907 HydrophobicContact CD1-CB 4.37Å; L881-L907 HydrophobicContact CD1-CD1 3.46Å; L881-L907 VanDerWaalsContact CD1-CD1 3.46Å; A887-L907 HydrophobicContact CB-CD1 4Å; I904-L907 HydrophobicContact CG2-CB 4.17Å; I904-L907 HydrophobicContact CG2-CD1 4.3Å; R905-L907 VanDerWaalsContact C-N 3.28Å; R905-L907 PolarHBondContact O-N 3.03Å; L907-A909 VanDerWaalsContact C-N 3.29Å; L907-A909 PolarHBondContact O-N 3.06Å; L907-A910 PolarHBondContact O-N 3.24Å; L907-L911 HydrophobicContact CD1-CD1 3.59Å; L907-L911 HydrophobicContact CD1-CG 4.08Å; L907-L911 HydrophobicContact CG-CD1 3.99Å; L907-L911 WeakPolarHBondContact O-CB 2.89Å; L907-L911 PolarHBondContact O-N 3.36Å; L907-L1097 HydrophobicContact CD2-CD2 3.97Å; L907-G1206 PolarHBondContact N-O 2.97Å; L907-L1208 HydrophobicContact CB-CB 4.5Å; L907-L1208 HydrophobicContact CD2-CB 3.55Å; L907-L1208 HydrophobicContact CD2-CD1 3.31Å; L907-L1208 HydrophobicContact CD2-CG 4.06Å |
| 908 | A | 94.7 | Very high | 96.5 | Very high | 9 Ų | 9 | 35.9 Ų | 35.9 | 7% | 0.074 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -34.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | G906 R912 L913 L915 G1206 | G906-A908 VanDerWaalsContact C-N 3.27Å; G906-A908 PolarHBondContact O-N 3.44Å; A908-R912 CarbonylContact O-C 3.15Å; A908-R912 WeakPolarHBondContact O-CA 3.34Å; A908-R912 PolarHBondContact O-N 3.48Å; A908-L913 HydrophobicContact CB-CB 4.1Å; A908-L913 HydrophobicContact CB-CD1 4.26Å; A908-L913 HydrophobicContact CB-CG 4.45Å; A908-L913 PolarHBondContact O-N 3.45Å; A908-L915 HydrophobicContact CB-CD1 3.87Å; A908-L915 HydrophobicContact CB-CD2 4.16Å; A908-L915 HydrophobicContact CB-CG 4.16Å; A908-G1206 PolarHBondContact N-O 2.85Å |
| 909 | A | 94.8 | Very high | 96.6 | Very high | 79 Ų | 79 | 33.3 Ų | 33.3 | 65% | 0.653 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -73.1 | -47.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G906 L907 L911 R912 | G906-A909 WeakPolarHBondContact O-CB 3.48Å; G906-A909 PolarHBondContact O-N 3.48Å; L907-A909 VanDerWaalsContact C-N 3.29Å; L907-A909 PolarHBondContact O-N 3.06Å; A909-L911 VanDerWaalsContact C-N 3.27Å; A909-L911 PolarHBondContact O-N 3.29Å; A909-R912 PolarHBondContact O-N 3.4Å; A909-R912 VanDerWaalsContact O-N 3.17Å |
| 910 | A | 95.5 | Very high | 96.6 | Very high | 14 Ų | 14 | 32.2 Ų | 32.2 | 12% | 0.116 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.2 | -34.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | L881 G906 L907 | L881-A910 HydrophobicContact CB-CB 3.94Å; G906-A910 PolarHBondContact O-N 3.35Å; L907-A910 PolarHBondContact O-N 3.24Å |
| 911 | L | 96.5 | Very high | 96.5 | Very high | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -96.2 | -8.2 | 177.8 | -67.6 | 179.9 | 0 | 0 | 0 | 114.9 | R884 A887 H888 L907 A909 L913 L1097 | R884-L911 HydrophobicContact CB-CD2 4.49Å; R884-L911 HydrophobicContact CG-CD2 3.97Å; A887-L911 HydrophobicContact CB-CD1 4.35Å; A887-L911 HydrophobicContact CB-CD2 3.72Å; A887-L911 HydrophobicContact CB-CG 4.04Å; H888-L911 WeakPolarHBondContact NE2-CD2 3.44Å; L907-L911 HydrophobicContact CD1-CD1 3.59Å; L907-L911 HydrophobicContact CD1-CG 4.08Å; L907-L911 HydrophobicContact CG-CD1 3.99Å; L907-L911 WeakPolarHBondContact O-CB 2.89Å; L907-L911 PolarHBondContact O-N 3.36Å; A909-L911 VanDerWaalsContact C-N 3.27Å; A909-L911 PolarHBondContact O-N 3.29Å; L911-L913 HydrophobicContact CB-CD2 4.11Å; L911-L913 HydrophobicContact CB-CG 4.08Å; L911-L1097 HydrophobicContact CD1-CD2 3.96Å |
| 912 | R | 96.2 | Very high | 96.4 | Very high | 211 Ų | 211 | 39.1 Ų | 39.1 | 80% | 0.796 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 60.9 | -171.1 | -54.2 | -178.7 | -175.7 | 179.5 | 0.9 | 111.8 | A908 A909 K1096 | A908-R912 CarbonylContact O-C 3.15Å; A908-R912 WeakPolarHBondContact O-CA 3.34Å; A908-R912 PolarHBondContact O-N 3.48Å; A909-R912 PolarHBondContact O-N 3.4Å; A909-R912 VanDerWaalsContact O-N 3.17Å; R912-K1096 PolarHBondContact O-NZ 2.7Å |
| 913 | L | 96.3 | Very high | 96.3 | Very high | 19 Ų | 19 | 39.1 Ų | 39.1 | 10% | 0.099 | 22% | 0.219 | C | C | . | . | trans | -82.6 | 125.8 | 172.5 | -58 | -177.3 | 0 | 0 | 0 | 110.7 | A908 L911 L915 E1093 K1096 L1097 | A908-L913 HydrophobicContact CB-CB 4.1Å; A908-L913 HydrophobicContact CB-CD1 4.26Å; A908-L913 HydrophobicContact CB-CG 4.45Å; A908-L913 PolarHBondContact O-N 3.45Å; L911-L913 HydrophobicContact CB-CD2 4.11Å; L911-L913 HydrophobicContact CB-CG 4.08Å; L913-L915 HydrophobicContact CB-CD2 4.19Å; L913-L915 PolarHBondContact O-N 2.93Å; L913-L915 VanDerWaalsContact O-N 3.12Å; L913-E1093 WeakPolarHBondContact CA-OE1 3.37Å; L913-K1096 HydrophobicContact CD2-CB 3.73Å; L913-K1096 HydrophobicContact CD2-CD 3.79Å; L913-K1096 HydrophobicContact CD2-CG 4.39Å; L913-L1097 HydrophobicContact CD1-CD2 3.96Å | ||
| 914 | D | 97 | Very high | 96.1 | Very high | 84 Ų | 84 | 41.2 Ų | 41.2 | 45% | 0.449 | 23% | 0.232 | S | C | . | . | trans | -79.4 | 87.1 | 169.4 | -172.8 | 0.2 | 0 | 0 | 0 | 110.4 | G916 L917 E1093 | D914-G916 PolarHBondContact O-N 2.97Å; D914-G916 VanDerWaalsContact OD1-CA 3.29Å; D914-G916 WeakPolarHBondContact OD1-CA 3.34Å; D914-G916 PolarHBondContact OD1-N 3.17Å; D914-L917 HydrophobicContact CB-CD1 4.24Å; D914-L917 HydrophobicContact CB-CG 4.24Å; D914-L917 PolarHBondContact O-N 3.43Å; D914-E1093 PolarHBondContact N-OE1 2.93Å | ||
| 915 | L | 96.2 | Very high | 96 | Very high | 34 Ų | 34 | 47.2 Ų | 47.2 | 18% | 0.178 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -64.6 | -16 | 172.8 | -55.9 | -177.2 | 0 | 0 | 0 | 112.4 | A908 L913 L917 F918 S919 I1148 I1150 | A908-L915 HydrophobicContact CB-CD1 3.87Å; A908-L915 HydrophobicContact CB-CD2 4.16Å; A908-L915 HydrophobicContact CB-CG 4.16Å; L913-L915 HydrophobicContact CB-CD2 4.19Å; L913-L915 PolarHBondContact O-N 2.93Å; L913-L915 VanDerWaalsContact O-N 3.12Å; L915-L917 PolarHBondContact O-N 3.49Å; L915-F918 PolarHBondContact O-N 3.42Å; L915-S919 PolarHBondContact O-N 2.94Å; L915-I1148 HydrophobicContact CD2-CG2 4.4Å; L915-I1150 HydrophobicContact CB-CG2 4.22Å; L915-I1150 HydrophobicContact CD2-CD1 4.06Å; L915-I1150 WeakPolarHBondContact O-CG2 3.4Å |
| 916 | G | 96.2 | Very high | 95.7 | Very high | 36 Ų | 36 | 48.6 Ų | 48.6 | 37% | 0.371 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -61.5 | -30.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D914 F918 S919 S922 | D914-G916 PolarHBondContact O-N 2.97Å; D914-G916 VanDerWaalsContact OD1-CA 3.29Å; D914-G916 WeakPolarHBondContact OD1-CA 3.34Å; D914-G916 PolarHBondContact OD1-N 3.17Å; G916-F918 PolarHBondContact O-N 3.1Å; G916-S919 VanDerWaalsContact O-CB 3.23Å; G916-S919 WeakPolarHBondContact O-CB 3.43Å; G916-S919 PolarHBondContact O-N 3.05Å; G916-S919 PolarHBondContact O-OG 3.09Å; G916-S922 WeakPolarHBondContact O-CB 3.48Å |
| 917 | L | 96.3 | Very high | 95.8 | Very high | 36 Ų | 36 | 48.6 Ų | 48.6 | 19% | 0.188 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -61.6 | -21.3 | 173.9 | -59.5 | 175.8 | 0 | 0 | 0 | 113.4 | D914 L915 P1089 Q1090 E1093 | D914-L917 HydrophobicContact CB-CD1 4.24Å; D914-L917 HydrophobicContact CB-CG 4.24Å; D914-L917 PolarHBondContact O-N 3.43Å; L915-L917 PolarHBondContact O-N 3.49Å; L917-P1089 HydrophobicContact CD1-CB 4.34Å; L917-P1089 HydrophobicContact CD2-CB 4.29Å; L917-Q1090 HydrophobicContact CB-CG 4.16Å; L917-Q1090 WeakPolarHBondContact O-CG 3.15Å; L917-Q1090 PolarHBondContact O-NE2 2.96Å; L917-E1093 HydrophobicContact CD1-CB 4Å; L917-E1093 HydrophobicContact CD1-CG 4.13Å |
| 918 | F | 97.5 | Very high | 95.8 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -106.3 | 6.5 | 178 | -57.8 | -88.8 | 0 | 0 | 0 | 112.8 | L915 G916 L923 L1081 Q1090 L1094 I1150 N1226 I1228 | L915-F918 PolarHBondContact O-N 3.42Å; G916-F918 PolarHBondContact O-N 3.1Å; F918-L923 VanDerWaalsContact O-CD1 3.25Å; F918-L923 WeakPolarHBondContact O-CD1 3.42Å; F918-L1081 HydrophobicContact CD1-CD1 4.3Å; F918-L1081 HydrophobicContact CE1-CD1 4.15Å; F918-Q1090 HydrophobicContact CD1-CB 4.29Å; F918-Q1090 HydrophobicContact CD1-CG 4.05Å; F918-Q1090 HydrophobicContact CE1-CB 3.61Å; F918-Q1090 HydrophobicContact CE1-CG 3.88Å; F918-Q1090 HydrophobicContact CE2-CB 4.48Å; F918-Q1090 HydrophobicContact CZ-CB 3.72Å; F918-Q1090 HydrophobicContact CZ-CG 4.19Å; F918-Q1090 WeakPolarHBondContact CZ-O 3.35Å; F918-L1094 HydrophobicContact CE2-CD2 4.36Å; F918-L1094 HydrophobicContact CZ-CD1 4.17Å; F918-L1094 HydrophobicContact CZ-CD2 3.97Å; F918-L1094 HydrophobicContact CZ-CG 4.03Å; F918-I1150 HydrophobicContact CB-CB 4.5Å; F918-I1150 HydrophobicContact CB-CD1 3.65Å; F918-I1150 HydrophobicContact CB-CG1 3.76Å; F918-I1150 HydrophobicContact CB-CG2 3.89Å; F918-I1150 HydrophobicContact CD2-CD1 4.15Å; F918-I1150 HydrophobicContact CG-CD1 3.95Å; F918-N1226 PolarHBondContact O-ND2 2.95Å; F918-I1228 HydrophobicContact CD1-CD1 4.12Å; F918-I1228 HydrophobicContact CD1-CG2 3.57Å; F918-I1228 HydrophobicContact CD2-CD1 4.48Å; F918-I1228 HydrophobicContact CE1-CD1 3.77Å; F918-I1228 HydrophobicContact CE1-CG2 3.89Å; F918-I1228 HydrophobicContact CE2-CD1 4.18Å; F918-I1228 HydrophobicContact CG-CD1 4.44Å; F918-I1228 HydrophobicContact CG-CG2 4.33Å; F918-I1228 HydrophobicContact CZ-CD1 3.81Å |
| 919 | S | 97.3 | Very high | 95.8 | Very high | 41 Ų | 41 | 56.6 Ų | 56.6 | 29% | 0.287 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -65.6 | 145.1 | 172.4 | 69.5 | 0 | 0 | 0 | 0 | 110.7 | L915 G916 K921 S922 L923 | L915-S919 PolarHBondContact O-N 2.94Å; G916-S919 VanDerWaalsContact O-CB 3.23Å; G916-S919 WeakPolarHBondContact O-CB 3.43Å; G916-S919 PolarHBondContact O-N 3.05Å; G916-S919 PolarHBondContact O-OG 3.09Å; S919-K921 PolarHBondContact O-N 3.44Å; S919-K921 VanDerWaalsContact O-N 3.09Å; S919-S922 PolarHBondContact O-N 3.18Å; S919-S922 PolarHBondContact OG-N 3.06Å; S919-L923 WeakPolarHBondContact O-CG 3.45Å; S919-L923 PolarHBondContact O-N 2.99Å |
| 920 | T | 96.9 | Very high | 95.9 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 16% | 0.16 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.3 | -32.8 | 179.1 | -51.8 | 0 | 0 | 0 | 0 | 112 | V924 Q972 N1226 | T920-V924 HydrophobicContact CG2-CG2 4.31Å; T920-V924 WeakPolarHBondContact O-CB 3.41Å; T920-V924 WeakPolarHBondContact O-CG2 3.27Å; T920-V924 PolarHBondContact O-N 3.12Å; T920-Q972 VanDerWaalsContact CG2-OE1 3.28Å; T920-Q972 PolarHBondContact OG1-OE1 3.5Å; T920-N1226 PolarHBondContact N-ND2 2.84Å; T920-N1226 PolarHBondContact OG1-ND2 3.49Å; T920-N1226 PolarHBondContact OG1-OD1 3.42Å |
| 921 | K | 96.3 | Very high | 95.9 | Very high | 142 Ų | 142 | 62.4 Ų | 62.4 | 62% | 0.617 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.2 | -59.1 | 172.4 | -177.5 | -174 | 168 | -174.5 | 0 | 111.4 | S919 L923 V924 E925 | S919-K921 PolarHBondContact O-N 3.44Å; S919-K921 VanDerWaalsContact O-N 3.09Å; K921-L923 VanDerWaalsContact C-N 3.26Å; K921-L923 PolarHBondContact O-N 3.13Å; K921-V924 PolarHBondContact O-N 2.88Å; K921-E925 WeakPolarHBondContact CE-OE1 3.47Å; K921-E925 VanDerWaalsContact CE-OE2 3.26Å; K921-E925 WeakPolarHBondContact CE-OE2 3.24Å; K921-E925 HydrophobicContact CG-CG 4.45Å; K921-E925 IonicContact NZ-OE1 3.96Å; K921-E925 WeakPolarHBondContact O-CG 3.28Å; K921-E925 PolarHBondContact O-N 3.23Å |
| 922 | S | 95.6 | Very high | 95.9 | Very high | 24 Ų | 24 | 62.1 Ų | 62.1 | 17% | 0.168 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.6 | -36.1 | -177.2 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | G916 S919 E925 S926 | G916-S922 WeakPolarHBondContact O-CB 3.48Å; S919-S922 PolarHBondContact O-N 3.18Å; S919-S922 PolarHBondContact OG-N 3.06Å; S922-E925 PolarHBondContact O-N 3.37Å; S922-S926 VanDerWaalsContact O-CB 3.32Å; S922-S926 WeakPolarHBondContact O-CB 3.46Å; S922-S926 PolarHBondContact O-N 3.41Å; S922-S926 PolarHBondContact O-OG 3.46Å |
| 923 | L | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 176.7 | -65.9 | 164.7 | 0 | 0 | 0 | 112.6 | F918 S919 K921 S926 N927 I965 W1087 L1125 L1127 | F918-L923 VanDerWaalsContact O-CD1 3.25Å; F918-L923 WeakPolarHBondContact O-CD1 3.42Å; S919-L923 WeakPolarHBondContact O-CG 3.45Å; S919-L923 PolarHBondContact O-N 2.99Å; K921-L923 VanDerWaalsContact C-N 3.26Å; K921-L923 PolarHBondContact O-N 3.13Å; L923-S926 PolarHBondContact O-N 3.19Å; L923-N927 PolarHBondContact O-N 2.97Å; L923-I965 HydrophobicContact CB-CG2 4.22Å; L923-W1087 HydrophobicContact CD2-CE3 4.4Å; L923-W1087 HydrophobicContact CD2-CH2 3.98Å; L923-W1087 HydrophobicContact CD2-CZ3 3.65Å; L923-L1125 HydrophobicContact CD1-CD1 3.99Å; L923-L1125 HydrophobicContact CD1-CD2 3.55Å; L923-L1125 HydrophobicContact CD1-CG 4.42Å; L923-L1125 HydrophobicContact CD2-CD2 4.02Å; L923-L1125 HydrophobicContact CG-CD2 4.37Å; L923-L1127 HydrophobicContact CD1-CD2 4.09Å |
| 924 | V | 95.9 | Very high | 96 | Very high | 43 Ų | 43 | 52.8 Ų | 52.8 | 26% | 0.261 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 175 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | T920 K921 S926 P928 I965 A966 | T920-V924 HydrophobicContact CG2-CG2 4.31Å; T920-V924 WeakPolarHBondContact O-CB 3.41Å; T920-V924 WeakPolarHBondContact O-CG2 3.27Å; T920-V924 PolarHBondContact O-N 3.12Å; K921-V924 PolarHBondContact O-N 2.88Å; V924-S926 VanDerWaalsContact C-N 3.33Å; V924-P928 WeakPolarHBondContact O-CB 3.31Å; V924-P928 WeakPolarHBondContact O-CD 3.46Å; V924-I965 HydrophobicContact CB-CG2 4.38Å; V924-I965 HydrophobicContact CG2-CG2 3.65Å; V924-A966 HydrophobicContact CG1-CB 4.29Å |
| 925 | E | 94.9 | Very high | 95.9 | Very high | 129 Ų | 129 | 52.1 Ų | 52.1 | 60% | 0.603 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.4 | -31.7 | 176.5 | -71.9 | 173.9 | 153.2 | 0 | 0 | 112.4 | K921 S922 | K921-E925 WeakPolarHBondContact CE-OE1 3.47Å; K921-E925 VanDerWaalsContact CE-OE2 3.26Å; K921-E925 WeakPolarHBondContact CE-OE2 3.24Å; K921-E925 HydrophobicContact CG-CG 4.45Å; K921-E925 IonicContact NZ-OE1 3.96Å; K921-E925 WeakPolarHBondContact O-CG 3.28Å; K921-E925 PolarHBondContact O-N 3.23Å; S922-E925 PolarHBondContact O-N 3.37Å |
| 926 | S | 91.6 | Very high | 95.9 | Very high | 54 Ų | 54 | 52.1 Ų | 52.1 | 38% | 0.378 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -80.4 | -50 | -179.6 | -56.2 | 0 | 0 | 0 | 0 | 113.2 | S922 L923 V924 | S922-S926 VanDerWaalsContact O-CB 3.32Å; S922-S926 WeakPolarHBondContact O-CB 3.46Å; S922-S926 PolarHBondContact O-N 3.41Å; S922-S926 PolarHBondContact O-OG 3.46Å; L923-S926 PolarHBondContact O-N 3.19Å; V924-S926 VanDerWaalsContact C-N 3.33Å |
| 927 | N | 94.5 | Very high | 95.9 | Very high | 27 Ų | 27 | 50.6 Ų | 50.6 | 14% | 0.144 | 25% | 0.251 | C | S | . | . | trans | -146.1 | 73 | -172.7 | -64 | -85.4 | 0 | 0 | 0 | 111.8 | L923 E929 H930 K1086 W1087 | L923-N927 PolarHBondContact O-N 2.97Å; N927-E929 PolarHBondContact O-N 3.05Å; N927-H930 HydrophobicContact CB-CB 3.99Å; N927-H930 VanDerWaalsContact O-CB 3.3Å; N927-H930 WeakPolarHBondContact O-CB 3.45Å; N927-H930 PolarHBondContact O-N 2.87Å; N927-H930 VanDerWaalsContact O-N 3.16Å; N927-K1086 PolarHBondContact ND2-O 3.2Å; N927-K1086 WeakPolarHBondContact OD1-CD 3.39Å; N927-K1086 WeakPolarHBondContact OD1-CG 3.42Å; N927-W1087 HydrophobicContact CB-CH2 3.65Å; N927-W1087 HydrophobicContact CB-CZ2 3.87Å; N927-W1087 HydrophobicContact CB-CZ3 4.29Å; N927-W1087 VanDerWaalsContact ND2-CH2 3.35Å; N927-W1087 WeakPolarHBondContact ND2-CH2 3.48Å; N927-W1087 WeakPolarHBondContact ND2-CZ3 3.25Å | ||
| 928 | P | 95 | Very high | 95.6 | Very high | 57 Ų | 57 | 51.1 Ų | 51.1 | 37% | 0.37 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -40.6 | -169.5 | 21.3 | -32.1 | 0 | 0 | 0 | 114.2 | V924 H930 I965 A966 | V924-P928 WeakPolarHBondContact O-CB 3.31Å; V924-P928 WeakPolarHBondContact O-CD 3.46Å; P928-H930 VanDerWaalsContact C-N 3.3Å; P928-H930 PolarHBondContact O-N 3.48Å; P928-I965 PolarHBondContact O-N 3.12Å; P928-A966 HydrophobicContact CB-CB 3.86Å; P928-A966 WeakPolarHBondContact O-CB 3.41Å; P928-A966 PolarHBondContact O-N 3.39Å |
| 929 | E | 96 | Very high | 95.4 | Very high | 124 Ų | 124 | 54 Ų | 54 | 58% | 0.579 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 9.3 | -179.2 | -62.4 | -51.4 | 115.9 | 0 | 0 | 114 | N927 R931 | N927-E929 PolarHBondContact O-N 3.05Å; E929-R931 PolarHBondContact O-N 2.72Å |
| 930 | H | 95.7 | Very high | 95.2 | Very high | 38 Ų | 38 | 53.2 Ų | 53.2 | 18% | 0.176 | 26% | 0.257 | C | S | . | . | trans | -62.8 | 136.7 | 175.2 | -168.2 | 105.6 | 0 | 0 | 0 | 110.8 | N927 P928 T964 I965 D1080 W1087 | N927-H930 HydrophobicContact CB-CB 3.99Å; N927-H930 VanDerWaalsContact O-CB 3.3Å; N927-H930 WeakPolarHBondContact O-CB 3.45Å; N927-H930 PolarHBondContact O-N 2.87Å; N927-H930 VanDerWaalsContact O-N 3.16Å; P928-H930 VanDerWaalsContact C-N 3.3Å; P928-H930 PolarHBondContact O-N 3.48Å; H930-T964 CarbonylContact O-C 3.6Å; H930-T964 WeakPolarHBondContact O-CA 3.42Å; H930-I965 HydrophobicContact CB-CD1 3.73Å; H930-I965 HydrophobicContact CB-CG1 4.04Å; H930-I965 PolarHBondContact O-N 2.72Å; H930-D1080 PolarHBondContact CE1-O 2.75Å; H930-D1080 PolarHBondContact NE2-O 2.78Å; H930-D1080 VanDerWaalsContact NE2-O 3.16Å; H930-W1087 HydrophobicContact CB-CZ2 4.42Å; H930-W1087 AromaticContact CE1-NE1 3.89Å; H930-W1087 AromaticContact ND1-CZ2 3.82Å | ||
| 931 | R | 96.1 | Very high | 95 | Very high | 176 Ų | 176 | 54 Ų | 54 | 66% | 0.664 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 132.9 | -172.5 | -179.3 | -179.1 | 175.1 | -166.4 | -0.1 | 112.2 | E929 | E929-R931 PolarHBondContact O-N 2.72Å |
| 932 | V | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 132.1 | 176.8 | 177.9 | 0 | 0 | 0 | 0 | 109.3 | V934 T962 T963 I965 C1079 L1127 | V932-V934 HydrophobicContact CG1-CG2 4.3Å; V932-T962 WeakPolarHBondContact O-CA 3.4Å; V932-T963 HydrophobicContact CB-CG2 4.07Å; V932-T963 HydrophobicContact CG1-CG2 4.44Å; V932-T963 PolarHBondContact N-O 3.1Å; V932-T963 PolarHBondContact O-N 3.29Å; V932-I965 HydrophobicContact CG2-CB 4.34Å; V932-I965 HydrophobicContact CG2-CG1 3.49Å; V932-I965 VanDerWaalsContact CG2-CG1 3.49Å; V932-C1079 HydrophobicContact CG2-CB 4.4Å; V932-L1127 HydrophobicContact CG2-CD1 4.43Å |
| 933 | E | 97.2 | Very high | 94.6 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 136.3 | 164.9 | 175.7 | 170.8 | 152.3 | 0 | 0 | 109.3 | R935 K960 G1076 T1077 | E933-R935 IonicContact OE1-CZ 2.67Å; E933-R935 IonicContact OE1-NE 2.8Å; E933-R935 PolarHBondContact OE1-NE 2.67Å; E933-R935 IonicContact OE1-NH2 3.41Å; E933-R935 PolarHBondContact OE1-NH2 2.75Å; E933-K960 VanDerWaalsContact CD-CE 3.42Å; E933-K960 HydrophobicContact CG-CD 4.32Å; E933-K960 HydrophobicContact CG-CG 4.05Å; E933-K960 WeakPolarHBondContact OE1-CD 3.31Å; E933-K960 IonicContact OE1-NZ 1.8Å; E933-K960 WeakPolarHBondContact OE2-CE 3.42Å; E933-K960 IonicContact OE2-NZ 3.98Å; E933-K960 PolarHBondContact OE2-NZ 3.26Å; E933-G1076 WeakPolarHBondContact O-CA 3.47Å; E933-T1077 HydrophobicContact CB-CG2 4.19Å; E933-T1077 WeakPolarHBondContact CB-O 3.41Å; E933-T1077 HydrophobicContact CG-CG2 3.91Å; E933-T1077 PolarHBondContact O-N 3.31Å |
| 934 | V | 97.2 | Very high | 94.4 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.024 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130.2 | -179.8 | 174.1 | 0 | 0 | 0 | 0 | 110.2 | V932 K960 T961 T963 Y968 R1074 F1075 | V932-V934 HydrophobicContact CG1-CG2 4.3Å; V934-K960 CarbonylContact O-C 3.53Å; V934-K960 WeakPolarHBondContact O-CA 3.42Å; V934-T961 PolarHBondContact N-O 3.1Å; V934-T961 PolarHBondContact O-N 2.95Å; V934-T963 HydrophobicContact CG2-CG2 3.45Å; V934-T963 VanDerWaalsContact CG2-CG2 3.45Å; V934-Y968 HydrophobicContact CG2-CD2 4.06Å; V934-Y968 HydrophobicContact CG2-CE2 4.47Å; V934-R1074 HydrophobicContact CG1-CB 3.8Å; V934-R1074 HydrophobicContact CG1-CG 4.25Å; V934-F1075 CarbonylContact C-O 3.52Å; V934-F1075 WeakPolarHBondContact CA-O 3.37Å |
| 935 | R | 96.5 | Very high | 94.3 | Very high | 70 Ų | 70 | 52.6 Ų | 52.6 | 26% | 0.264 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125.8 | 167.8 | -62 | -62.8 | 177.5 | 128.5 | 4.8 | 109.2 | E933 Q937 S958 P959 R1074 F1075 T1077 | E933-R935 IonicContact OE1-CZ 2.67Å; E933-R935 IonicContact OE1-NE 2.8Å; E933-R935 PolarHBondContact OE1-NE 2.67Å; E933-R935 IonicContact OE1-NH2 3.41Å; E933-R935 PolarHBondContact OE1-NH2 2.75Å; R935-Q937 HydrophobicContact CB-CG 4.43Å; R935-S958 VanDerWaalsContact CD-O 3.31Å; R935-S958 WeakPolarHBondContact CD-O 3.31Å; R935-S958 PolarHBondContact NH1-O 2.92Å; R935-P959 WeakPolarHBondContact CA-O 3.42Å; R935-R1074 CarbonylContact O-C 3.42Å; R935-R1074 WeakPolarHBondContact O-CA 3.39Å; R935-F1075 HydrophobicContact CB-CB 4.42Å; R935-F1075 HydrophobicContact CB-CD1 4.44Å; R935-F1075 PolarHBondContact N-O 3.01Å; R935-F1075 PolarHBondContact O-N 3.43Å; R935-T1077 HydrophobicContact CG-CG2 3.77Å |
| 936 | T | 95.8 | Very high | 94.2 | Very high | 34 Ų | 34 | 48.4 Ų | 48.4 | 21% | 0.209 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 128.2 | 173.7 | -52.7 | 0 | 0 | 0 | 0 | 108.3 | P959 I1073 | T936-P959 PolarHBondContact N-O 3.07Å; T936-P959 VanDerWaalsContact N-O 3.07Å; T936-P959 VanDerWaalsContact O-CD 3.24Å; T936-P959 WeakPolarHBondContact O-CD 3.24Å; T936-I1073 WeakPolarHBondContact CA-O 3.25Å |
| 937 | Q | 94.8 | Very high | 94 | Very high | 5 Ų | 5 | 47 Ų | 47 | 2% | 0.023 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 167.8 | -168.6 | -66.6 | 174.4 | -18.5 | 0 | 0 | 110.4 | R935 S958 L1072 I1073 R1133 | R935-Q937 HydrophobicContact CB-CG 4.43Å; Q937-S958 PolarHBondContact NE2-OG 3.23Å; Q937-L1072 WeakPolarHBondContact O-CA 3.38Å; Q937-I1073 HydrophobicContact CB-CD1 4.33Å; Q937-I1073 HydrophobicContact CB-CG1 4.01Å; Q937-I1073 PolarHBondContact N-O 3.12Å; Q937-I1073 WeakPolarHBondContact O-CG1 3.47Å; Q937-I1073 PolarHBondContact O-N 3.41Å; Q937-R1133 PolarHBondContact NE2-O 3.25Å |
| 938 | R | 91.6 | Very high | 93.4 | Very high | 46 Ų | 46 | 50 Ų | 50 | 17% | 0.174 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 131.9 | 173 | -54.6 | -179.5 | -170.3 | -169.2 | 1.4 | 109.9 | Q940 D947 S948 E957 L1070 L1072 | R938-Q940 HydrophobicContact CB-CG 4.4Å; R938-Q940 PolarHBondContact O-N 3.01Å; R938-D947 VanDerWaalsContact NH1-C 3.29Å; R938-D947 PolarHBondContact NH1-O 2.7Å; R938-S948 VanDerWaalsContact NH1-N 3.14Å; R938-E957 IonicContact CZ-OE1 3.96Å; R938-E957 IonicContact CZ-OE2 3.95Å; R938-E957 IonicContact NE-OE1 2.65Å; R938-E957 IonicContact NE-OE2 2.92Å; R938-E957 PolarHBondContact NE-OE2 3.39Å; R938-E957 IonicContact NH2-OE1 3.11Å; R938-E957 PolarHBondContact NH2-OE1 3.19Å; R938-E957 IonicContact NH2-OE2 3.71Å; R938-E957 PolarHBondContact NH2-OE2 3.44Å; R938-L1070 HydrophobicContact CB-CB 4.23Å; R938-L1070 HydrophobicContact CB-CD1 4.33Å; R938-L1072 HydrophobicContact CG-CD2 4.19Å |
| 939 | L | 93.6 | Very high | 92.8 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 33% | 0.33 | 26% | 0.256 | S | S | . | . | trans | -67.8 | 124.5 | 173.7 | 176.9 | 59.3 | 0 | 0 | 0 | 110.8 | K1071 I1073 | L939-K1071 HydrophobicContact CB-CB 4.34Å; L939-K1071 WeakPolarHBondContact CB-O 3.38Å; L939-K1071 HydrophobicContact CD2-CB 4.31Å; L939-K1071 PolarHBondContact N-O 3.39Å; L939-I1073 HydrophobicContact CB-CG2 4.09Å | ||
| 940 | Q | 93.3 | Very high | 92.3 | Very high | 25 Ų | 25 | 48.6 Ų | 48.6 | 12% | 0.117 | 25% | 0.253 | C | S | . | . | trans | -150.7 | 163.8 | -173.3 | -64.1 | -175.9 | 87.1 | 0 | 0 | 111.2 | R938 N945 L1070 Q1220 | R938-Q940 HydrophobicContact CB-CG 4.4Å; R938-Q940 PolarHBondContact O-N 3.01Å; Q940-N945 PolarHBondContact NE2-OD1 3.46Å; Q940-N945 VanDerWaalsContact NE2-OD1 3.08Å; Q940-L1070 HydrophobicContact CG-CD1 4.19Å; Q940-Q1220 PolarHBondContact O-NE2 3.26Å | ||
| 941 | S | 92.4 | Very high | 91.9 | Very high | 44 Ų | 44 | 53.5 Ų | 53.5 | 31% | 0.308 | 27% | 0.27 | S | S | . | . | trans | -71.1 | 146.2 | 174.2 | 74.5 | 0 | 0 | 0 | 0 | 111.2 | D943 Q944 R1133 | S941-D943 WeakPolarHBondContact CB-OD1 3.45Å; S941-D943 PolarHBondContact O-N 2.79Å; S941-D943 VanDerWaalsContact O-N 3.09Å; S941-D943 PolarHBondContact OG-OD1 2.97Å; S941-Q944 PolarHBondContact O-N 3.44Å; S941-Q944 VanDerWaalsContact O-O 3.12Å; S941-Q944 WeakPolarHBondContact OG-CB 3.19Å; S941-Q944 WeakPolarHBondContact OG-CG 3.48Å; S941-R1133 PolarHBondContact O-NH2 3.01Å | ||
| 942 | P | 93 | Very high | 91.7 | Very high | 18 Ų | 18 | 49 Ų | 49 | 12% | 0.117 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -29.1 | -175.2 | -27 | 35.1 | 0 | 0 | 0 | 115.4 | E1156 F1158 W1185 Q1220 I1222 | P942-E1156 WeakPolarHBondContact CB-OE2 3.5Å; P942-E1156 VanDerWaalsContact CG-OE2 3.26Å; P942-E1156 WeakPolarHBondContact CG-OE2 3.22Å; P942-F1158 HydrophobicContact CB-CE2 3.95Å; P942-F1158 HydrophobicContact CB-CZ 3.78Å; P942-W1185 VanDerWaalsContact O-CZ2 3.22Å; P942-W1185 WeakPolarHBondContact O-CZ2 3.4Å; P942-W1185 PolarHBondContact O-NE1 2.88Å; P942-Q1220 HydrophobicContact CB-CB 4.44Å; P942-Q1220 HydrophobicContact CG-CG 4.35Å; P942-I1222 HydrophobicContact CG-CD1 3.57Å |
| 943 | D | 90 | Very high | 91.6 | Very high | 58 Ų | 58 | 50.9 Ų | 50.9 | 31% | 0.31 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -3.3 | -179.8 | 28.4 | 40.8 | 0 | 0 | 0 | 114.4 | S941 L1188 R1200 | S941-D943 WeakPolarHBondContact CB-OD1 3.45Å; S941-D943 PolarHBondContact O-N 2.79Å; S941-D943 VanDerWaalsContact O-N 3.09Å; S941-D943 PolarHBondContact OG-OD1 2.97Å; D943-L1188 HydrophobicContact CB-CD1 3.76Å; D943-R1200 IonicContact OD2-CZ 3.84Å; D943-R1200 IonicContact OD2-NH1 3.5Å; D943-R1200 PolarHBondContact OD2-NH1 3.26Å; D943-R1200 IonicContact OD2-NH2 2.71Å; D943-R1200 PolarHBondContact OD2-NH2 3.24Å |
| 944 | Q | 90.9 | Very high | 91.5 | Very high | 96 Ų | 96 | 49.8 Ų | 49.8 | 45% | 0.449 | 27% | 0.268 | S | S | . | . | trans | -127 | 147.1 | -176.2 | -62.3 | -177.4 | 2 | 0 | 0 | 113 | S941 L946 R1133 | S941-Q944 PolarHBondContact O-N 3.44Å; S941-Q944 VanDerWaalsContact O-O 3.12Å; S941-Q944 WeakPolarHBondContact OG-CB 3.19Å; S941-Q944 WeakPolarHBondContact OG-CG 3.48Å; Q944-L946 HydrophobicContact CB-CG 4.49Å; Q944-R1133 VanDerWaalsContact O-CZ 3.28Å; Q944-R1133 PolarHBondContact O-NH1 2.82Å; Q944-R1133 PolarHBondContact O-NH2 3.23Å | ||
| 945 | N | 94.8 | Very high | 91.4 | Very high | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | trans | -141 | 112.7 | 165.4 | -174 | 61.6 | 0 | 0 | 0 | 109.6 | Q940 T952 V953 L955 R1133 W1185 | Q940-N945 PolarHBondContact NE2-OD1 3.46Å; Q940-N945 VanDerWaalsContact NE2-OD1 3.08Å; N945-T952 CarbonylContact O-C 3.52Å; N945-T952 VanDerWaalsContact O-CA 3.31Å; N945-T952 WeakPolarHBondContact O-CA 3.33Å; N945-V953 PolarHBondContact ND2-O 2.9Å; N945-V953 PolarHBondContact O-N 2.73Å; N945-L955 PolarHBondContact ND2-O 3.11Å; N945-R1133 PolarHBondContact OD1-NH1 2.84Å; N945-W1185 HydrophobicContact CB-CB 3.84Å; N945-W1185 HydrophobicContact CB-CG 3.99Å | ||
| 946 | L | 92.6 | Very high | 91.3 | Very high | 40 Ų | 40 | 51.2 Ų | 51.2 | 21% | 0.209 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -117 | 139.7 | -167.8 | -52.9 | 179.6 | 0 | 0 | 0 | 110.9 | Q944 R951 | Q944-L946 HydrophobicContact CB-CG 4.49Å; L946-R951 CarbonylContact C-O 3.44Å; L946-R951 VanDerWaalsContact CA-O 3.3Å; L946-R951 WeakPolarHBondContact CA-O 3.47Å |
| 947 | D | 87.1 | Confident | 90.9 | Very high | 24 Ų | 24 | 54.2 Ų | 54.2 | 13% | 0.128 | 29% | 0.292 | C | S | . | . | trans | -76.4 | -174.3 | 173.5 | 72.6 | 3.1 | 0 | 0 | 0 | 112.8 | R938 Q949 G950 R951 V953 | R938-D947 VanDerWaalsContact NH1-C 3.29Å; R938-D947 PolarHBondContact NH1-O 2.7Å; D947-Q949 PolarHBondContact O-N 2.89Å; D947-Q949 VanDerWaalsContact OD1-C 3.27Å; D947-Q949 VanDerWaalsContact OD1-CA 3.27Å; D947-Q949 WeakPolarHBondContact OD1-CA 3.21Å; D947-Q949 WeakPolarHBondContact OD1-CB 3.26Å; D947-Q949 PolarHBondContact OD1-N 3.37Å; D947-G950 PolarHBondContact O-N 3.45Å; D947-G950 PolarHBondContact OD1-N 3.46Å; D947-R951 PolarHBondContact N-O 3.39Å; D947-R951 PolarHBondContact OD1-N 2.95Å; D947-R951 IonicContact OD1-NE 3.28Å; D947-R951 IonicContact OD2-CZ 3.82Å; D947-R951 IonicContact OD2-NE 3.96Å; D947-R951 PolarHBondContact OD2-NE 3.28Å; D947-R951 IonicContact OD2-NH2 3.73Å; D947-R951 PolarHBondContact OD2-NH2 2.82Å; D947-V953 HydrophobicContact CB-CG1 3.99Å; D947-V953 HydrophobicContact CB-CG2 3.96Å | ||
| 948 | S | 82.2 | Confident | 90.8 | Very high | 91 Ų | 91 | 54.6 Ų | 54.6 | 64% | 0.636 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -6.1 | 175.4 | 46.2 | 0 | 0 | 0 | 0 | 114.5 | R938 | R938-S948 VanDerWaalsContact NH1-N 3.14Š|
| 949 | Q | 83.4 | Confident | 90.7 | Very high | 101 Ų | 101 | 56.2 Ų | 56.2 | 47% | 0.472 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 3.3 | 175.8 | -58.7 | -175.1 | -9.3 | 0 | 0 | 112 | N404 D947 R951 | N404-Q949 PolarHBondContact ND2-NE2 3.17Å; D947-Q949 PolarHBondContact O-N 2.89Å; D947-Q949 VanDerWaalsContact OD1-C 3.27Å; D947-Q949 VanDerWaalsContact OD1-CA 3.27Å; D947-Q949 WeakPolarHBondContact OD1-CA 3.21Å; D947-Q949 WeakPolarHBondContact OD1-CB 3.26Å; D947-Q949 PolarHBondContact OD1-N 3.37Å; Q949-R951 HydrophobicContact CB-CG 4.26Å; Q949-R951 VanDerWaalsContact OE1-NH1 3.13Å |
| 950 | G | 84.5 | Confident | 90.5 | Very high | 50 Ų | 50 | 59 Ų | 59 | 52% | 0.515 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 78.3 | 16.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D947 | D947-G950 PolarHBondContact O-N 3.45Å; D947-G950 PolarHBondContact OD1-N 3.46Å |
| 951 | R | 88.4 | Confident | 90.5 | Very high | 142 Ų | 142 | 61.2 Ų | 61.2 | 54% | 0.536 | 34% | 0.336 | S | S | . | . | trans | -94.4 | 139.3 | -179.7 | -53.1 | 176.4 | -61 | -173.4 | 2.6 | 110.4 | L946 D947 Q949 V953 | L946-R951 CarbonylContact C-O 3.44Å; L946-R951 VanDerWaalsContact CA-O 3.3Å; L946-R951 WeakPolarHBondContact CA-O 3.47Å; D947-R951 PolarHBondContact N-O 3.39Å; D947-R951 PolarHBondContact OD1-N 2.95Å; D947-R951 IonicContact OD1-NE 3.28Å; D947-R951 IonicContact OD2-CZ 3.82Å; D947-R951 IonicContact OD2-NE 3.96Å; D947-R951 PolarHBondContact OD2-NE 3.28Å; D947-R951 IonicContact OD2-NH2 3.73Å; D947-R951 PolarHBondContact OD2-NH2 2.82Å; Q949-R951 HydrophobicContact CB-CG 4.26Å; Q949-R951 VanDerWaalsContact OE1-NH1 3.13Å; R951-V953 PolarHBondContact O-N 2.77Å | ||
| 952 | T | 91.5 | Very high | 90.6 | Very high | 82 Ų | 82 | 62.9 Ų | 62.9 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -61.9 | 126.4 | 173.8 | -48 | 0 | 0 | 0 | 0 | 110.8 | N945 D1187 | N945-T952 CarbonylContact O-C 3.52Å; N945-T952 VanDerWaalsContact O-CA 3.31Å; N945-T952 WeakPolarHBondContact O-CA 3.33Å; T952-D1187 HydrophobicContact CG2-CB 4.04Å |
| 953 | V | 93.9 | Very high | 90.8 | Very high | 38 Ų | 38 | 64 Ų | 64 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | trans | -137 | 146.7 | 179.7 | -67.6 | 0 | 0 | 0 | 0 | 110.9 | N945 D947 R951 | N945-V953 PolarHBondContact ND2-O 2.9Å; N945-V953 PolarHBondContact O-N 2.73Å; D947-V953 HydrophobicContact CB-CG1 3.99Å; D947-V953 HydrophobicContact CB-CG2 3.96Å; R951-V953 PolarHBondContact O-N 2.77Å | ||
| 954 | W | 95.1 | Very high | 91.1 | Very high | 8 Ų | 8 | 62.1 Ų | 62.1 | 3% | 0.03 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -75.1 | -24.9 | 176.1 | -80.9 | 61 | 0 | 0 | 0 | 113.2 | C956 I1168 L1171 N1175 W1184 W1185 P1186 T1190 L1191 | W954-C956 PolarHBondContact O-N 3Å; W954-I1168 HydrophobicContact CZ3-CG2 4.19Å; W954-L1171 HydrophobicContact CH2-CB 3.55Å; W954-L1171 HydrophobicContact CH2-CD1 3.72Å; W954-L1171 HydrophobicContact CH2-CG 4.26Å; W954-L1171 HydrophobicContact CZ2-CB 3.91Å; W954-L1171 HydrophobicContact CZ2-CD1 3.96Å; W954-L1171 HydrophobicContact CZ2-CG 4.43Å; W954-L1171 HydrophobicContact CZ3-CB 3.92Å; W954-N1175 HydrophobicContact CB-CB 3.76Å; W954-N1175 VanDerWaalsContact CD1-CG 3.48Å; W954-N1175 HydrophobicContact CG-CB 4.01Å; W954-W1184 HydrophobicContact CE3-CE3 4.49Å; W954-W1184 HydrophobicContact CZ3-CE3 4.31Å; W954-W1184 CarbonylContact O-C 3.56Å; W954-W1184 WeakPolarHBondContact O-CA 3.46Å; W954-W1184 WeakPolarHBondContact O-CB 3.32Å; W954-W1185 PolarHBondContact O-N 3.32Å; W954-P1186 HydrophobicContact CH2-CB 3.83Å; W954-P1186 HydrophobicContact CH2-CG 4.33Å; W954-P1186 HydrophobicContact CZ2-CB 4.25Å; W954-P1186 HydrophobicContact CZ3-CB 4.03Å; W954-P1186 HydrophobicContact CZ3-CG 4.08Å; W954-T1190 HydrophobicContact CZ2-CG2 4Å; W954-L1191 HydrophobicContact CH2-CD2 4.08Å |
| 955 | L | 94 | Very high | 91.4 | Very high | 99 Ų | 99 | 57.6 Ų | 57.6 | 52% | 0.518 | 32% | 0.321 | S | S | . | . | B | Isolated β-bridge | trans | -70.8 | 118.4 | 179.4 | 179.8 | 64.6 | 0 | 0 | 0 | 111.5 | N945 V1177 | N945-L955 PolarHBondContact ND2-O 3.11Å; L955-V1177 HydrophobicContact CB-CG2 4.08Å; L955-V1177 HydrophobicContact CD1-CG2 4.11Å |
| 956 | C | 93.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.034 | 33% | 0.33 | C | S | . | . | trans | -99.8 | 102.7 | 176.9 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | W954 S958 S1183 W1185 | W954-C956 PolarHBondContact O-N 3Å; C956-S958 PolarHBondContact O-N 3.41Å; C956-S958 VanDerWaalsContact O-N 3.15Å; C956-S1183 PolarHBondContact N-O 3.13Å; C956-S1183 VanDerWaalsContact O-CB 3.31Å; C956-S1183 WeakPolarHBondContact O-CB 3.48Å; C956-S1183 PolarHBondContact O-OG 3.36Å; C956-W1185 HydrophobicContact CB-CB 4.09Å | ||
| 957 | E | 88.3 | Confident | 91.7 | Very high | 96 Ų | 96 | 62.7 Ų | 62.7 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | trans | -56.3 | 117.3 | 175.5 | -71.9 | -180 | -177.6 | 0 | 0 | 111.2 | R938 | R938-E957 IonicContact CZ-OE1 3.96Å; R938-E957 IonicContact CZ-OE2 3.95Å; R938-E957 IonicContact NE-OE1 2.65Å; R938-E957 IonicContact NE-OE2 2.92Å; R938-E957 PolarHBondContact NE-OE2 3.39Å; R938-E957 IonicContact NH2-OE1 3.11Å; R938-E957 PolarHBondContact NH2-OE1 3.19Å; R938-E957 IonicContact NH2-OE2 3.71Å; R938-E957 PolarHBondContact NH2-OE2 3.44Å | ||
| 958 | S | 91.7 | Very high | 92.3 | Very high | 14 Ų | 14 | 61.7 Ų | 61.7 | 10% | 0.098 | 34% | 0.341 | C | S | . | . | trans | -148.2 | 55.6 | -175.8 | -162.3 | 0 | 0 | 0 | 0 | 112.5 | R935 Q937 C956 S1183 | R935-S958 VanDerWaalsContact CD-O 3.31Å; R935-S958 WeakPolarHBondContact CD-O 3.31Å; R935-S958 PolarHBondContact NH1-O 2.92Å; Q937-S958 PolarHBondContact NE2-OG 3.23Å; C956-S958 PolarHBondContact O-N 3.41Å; C956-S958 VanDerWaalsContact O-N 3.15Å; S958-S1183 WeakPolarHBondContact CB-OG 3.44Å | ||
| 959 | P | 89.8 | Confident | 92.9 | Very high | 80 Ų | 80 | 57.7 Ų | 57.7 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | trans | -59 | 140.6 | 177.3 | 23.3 | -35.8 | 0 | 0 | 0 | 113.4 | R935 T936 | R935-P959 WeakPolarHBondContact CA-O 3.42Å; T936-P959 PolarHBondContact N-O 3.07Å; T936-P959 VanDerWaalsContact N-O 3.07Å; T936-P959 VanDerWaalsContact O-CD 3.24Å; T936-P959 WeakPolarHBondContact O-CD 3.24Å | ||
| 960 | K | 90.6 | Very high | 93.6 | Very high | 122 Ų | 122 | 55.8 Ų | 55.8 | 53% | 0.53 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 130.4 | -173.6 | 174.5 | 171.8 | 172.8 | 151.9 | 0 | 112.4 | E933 V934 | E933-K960 VanDerWaalsContact CD-CE 3.42Å; E933-K960 HydrophobicContact CG-CD 4.32Å; E933-K960 HydrophobicContact CG-CG 4.05Å; E933-K960 WeakPolarHBondContact OE1-CD 3.31Å; E933-K960 IonicContact OE1-NZ 1.8Å; E933-K960 WeakPolarHBondContact OE2-CE 3.42Å; E933-K960 IonicContact OE2-NZ 3.98Å; E933-K960 PolarHBondContact OE2-NZ 3.26Å; V934-K960 CarbonylContact O-C 3.53Å; V934-K960 WeakPolarHBondContact O-CA 3.42Å |
| 961 | T | 92.9 | Very high | 94.2 | Very high | 71 Ų | 71 | 55.6 Ų | 55.6 | 44% | 0.436 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | -175.5 | 168.8 | 62.3 | 0 | 0 | 0 | 0 | 109.9 | V934 | V934-T961 PolarHBondContact N-O 3.1Å; V934-T961 PolarHBondContact O-N 2.95Å |
| 962 | T | 94.1 | Very high | 94.6 | Very high | 78 Ų | 78 | 49.5 Ų | 49.5 | 48% | 0.479 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 145.9 | 179.8 | 52.2 | 0 | 0 | 0 | 0 | 112.2 | V932 | V932-T962 WeakPolarHBondContact O-CA 3.4Å |
| 963 | T | 97 | Very high | 94.8 | Very high | 42 Ų | 42 | 48 Ų | 48 | 26% | 0.258 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | -167.7 | 176.5 | -163 | 0 | 0 | 0 | 0 | 110.8 | V932 V934 K967 Y968 | V932-T963 HydrophobicContact CB-CG2 4.07Å; V932-T963 HydrophobicContact CG1-CG2 4.44Å; V932-T963 PolarHBondContact N-O 3.1Å; V932-T963 PolarHBondContact O-N 3.29Å; V934-T963 HydrophobicContact CG2-CG2 3.45Å; V934-T963 VanDerWaalsContact CG2-CG2 3.45Å; T963-K967 WeakPolarHBondContact OG1-CB 3.14Å; T963-Y968 HydrophobicContact CG2-CD2 4.35Å |
| 964 | T | 97.5 | Very high | 94.9 | Very high | 19 Ų | 19 | 48.8 Ų | 48.8 | 12% | 0.117 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 158 | 171.2 | 62 | 0 | 0 | 0 | 0 | 112.5 | H930 A966 K967 Y968 | H930-T964 CarbonylContact O-C 3.6Å; H930-T964 WeakPolarHBondContact O-CA 3.42Å; T964-A966 VanDerWaalsContact C-N 3.28Å; T964-A966 PolarHBondContact O-N 3.36Å; T964-K967 PolarHBondContact O-N 3.43Å; T964-K967 VanDerWaalsContact O-N 3.11Å; T964-K967 WeakPolarHBondContact OG1-CD 3.36Å; T964-Y968 PolarHBondContact O-N 2.75Å |
| 965 | I | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -52.3 | -45.4 | 179.4 | -73.7 | -174.3 | 0 | 0 | 0 | 111.3 | L923 V924 P928 H930 V932 K967 Y968 G969 W1087 | L923-I965 HydrophobicContact CB-CG2 4.22Å; V924-I965 HydrophobicContact CB-CG2 4.38Å; V924-I965 HydrophobicContact CG2-CG2 3.65Å; P928-I965 PolarHBondContact O-N 3.12Å; H930-I965 HydrophobicContact CB-CD1 3.73Å; H930-I965 HydrophobicContact CB-CG1 4.04Å; H930-I965 PolarHBondContact O-N 2.72Å; V932-I965 HydrophobicContact CG2-CB 4.34Å; V932-I965 HydrophobicContact CG2-CG1 3.49Å; V932-I965 VanDerWaalsContact CG2-CG1 3.49Å; I965-K967 PolarHBondContact O-N 3.32Å; I965-Y968 PolarHBondContact O-N 3.39Å; I965-G969 PolarHBondContact O-N 3.23Å; I965-W1087 HydrophobicContact CD1-CH2 3.82Å; I965-W1087 HydrophobicContact CD1-CZ2 4.05Å |
| 966 | A | 96.9 | Very high | 94.9 | Very high | 27 Ų | 27 | 49 Ų | 49 | 22% | 0.223 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.2 | -47.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | V924 P928 T964 G969 A970 | V924-A966 HydrophobicContact CG1-CB 4.29Å; P928-A966 HydrophobicContact CB-CB 3.86Å; P928-A966 WeakPolarHBondContact O-CB 3.41Å; P928-A966 PolarHBondContact O-N 3.39Å; T964-A966 VanDerWaalsContact C-N 3.28Å; T964-A966 PolarHBondContact O-N 3.36Å; A966-G969 PolarHBondContact O-N 2.83Å; A966-A970 PolarHBondContact O-N 3.45Å |
| 967 | K | 97.7 | Very high | 94.8 | Very high | 127 Ų | 127 | 52.8 Ų | 52.8 | 55% | 0.552 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -68 | -36.6 | -179.9 | -70.9 | 170.1 | -175.2 | 157.2 | 0 | 112.1 | T963 T964 I965 Y971 | T963-K967 WeakPolarHBondContact OG1-CB 3.14Å; T964-K967 PolarHBondContact O-N 3.43Å; T964-K967 VanDerWaalsContact O-N 3.11Å; T964-K967 WeakPolarHBondContact OG1-CD 3.36Å; I965-K967 PolarHBondContact O-N 3.32Å; K967-Y971 PolarHBondContact O-N 3.15Å |
| 968 | Y | 98 | Very high | 95 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.9 | -42.2 | 175.1 | -167.6 | -85.7 | 0 | 0 | 0 | 112.2 | V934 T963 T964 I965 A970 Y971 Q972 R1074 F1075 G1076 L1127 | V934-Y968 HydrophobicContact CG2-CD2 4.06Å; V934-Y968 HydrophobicContact CG2-CE2 4.47Å; T963-Y968 HydrophobicContact CG2-CD2 4.35Å; T964-Y968 PolarHBondContact O-N 2.75Å; I965-Y968 PolarHBondContact O-N 3.39Å; Y968-A970 VanDerWaalsContact C-N 3.31Å; Y968-A970 PolarHBondContact O-N 2.98Å; Y968-Y971 HydrophobicContact CD2-CD1 4.31Å; Y968-Y971 AromaticContact CE2-CD1 3.87Å; Y968-Y971 HydrophobicContact CE2-CD1 3.87Å; Y968-Y971 HydrophobicContact CE2-CE1 4.22Å; Y968-Y971 WeakPolarHBondContact O-CA 3.34Å; Y968-Y971 WeakPolarHBondContact O-CB 3.31Å; Y968-Y971 PolarHBondContact O-N 2.87Å; Y968-Q972 HydrophobicContact CD1-CB 4.43Å; Y968-Q972 HydrophobicContact CE1-CB 4.12Å; Y968-Q972 HydrophobicContact CE1-CG 4.48Å; Y968-Q972 PolarHBondContact O-N 3.01Å; Y968-R1074 HydrophobicContact CE2-CB 4.27Å; Y968-R1074 PolarHBondContact OH-O 3.25Å; Y968-F1075 WeakPolarHBondContact OH-CA 3.41Å; Y968-G1076 PolarHBondContact OH-N 3.43Å; Y968-L1127 HydrophobicContact CD1-CB 3.55Å; Y968-L1127 HydrophobicContact CD1-CD1 3.69Å; Y968-L1127 HydrophobicContact CD1-CG 4.25Å; Y968-L1127 HydrophobicContact CE1-CB 3.32Å; Y968-L1127 HydrophobicContact CE1-CD1 4.37Å; Y968-L1127 HydrophobicContact CE1-CG 4.47Å; Y968-L1127 VanDerWaalsContact CE1-O 3.26Å; Y968-L1127 WeakPolarHBondContact CE1-O 3.44Å; Y968-L1127 HydrophobicContact CG-CD1 4.3Å; Y968-L1127 VanDerWaalsContact CZ-O 3.23Å; Y968-L1127 PolarHBondContact OH-O 2.84Å |
| 969 | G | 96.6 | Very high | 94.8 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 6% | 0.062 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.5 | -39.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I965 A966 Y971 Q972 A973 | I965-G969 PolarHBondContact O-N 3.23Å; A966-G969 PolarHBondContact O-N 2.83Å; G969-Y971 PolarHBondContact O-N 3.29Å; G969-Q972 PolarHBondContact O-N 3.49Å; G969-A973 WeakPolarHBondContact O-CB 3.4Å; G969-A973 PolarHBondContact O-N 2.9Å |
| 970 | A | 96.9 | Very high | 94.6 | Very high | 62 Ų | 62 | 51.9 Ų | 51.9 | 51% | 0.512 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A966 Y968 A974 | A966-A970 PolarHBondContact O-N 3.45Å; Y968-A970 VanDerWaalsContact C-N 3.31Å; Y968-A970 PolarHBondContact O-N 2.98Å; A970-A974 VanDerWaalsContact O-CB 3.25Å; A970-A974 WeakPolarHBondContact O-CB 3.29Å; A970-A974 PolarHBondContact O-N 2.9Å |
| 971 | Y | 97.7 | Very high | 94.4 | Very high | 46 Ų | 46 | 52.3 Ų | 52.3 | 18% | 0.18 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.3 | -45.6 | 174.2 | 164.1 | -101 | 0 | 0 | 0 | 112.7 | K967 Y968 G969 A973 A974 S975 R1074 V1129 | K967-Y971 PolarHBondContact O-N 3.15Å; Y968-Y971 HydrophobicContact CD2-CD1 4.31Å; Y968-Y971 AromaticContact CE2-CD1 3.87Å; Y968-Y971 HydrophobicContact CE2-CD1 3.87Å; Y968-Y971 HydrophobicContact CE2-CE1 4.22Å; Y968-Y971 WeakPolarHBondContact O-CA 3.34Å; Y968-Y971 WeakPolarHBondContact O-CB 3.31Å; Y968-Y971 PolarHBondContact O-N 2.87Å; G969-Y971 PolarHBondContact O-N 3.29Å; Y971-A973 VanDerWaalsContact C-N 3.34Å; Y971-A973 PolarHBondContact O-N 2.86Å; Y971-A974 PolarHBondContact O-N 3.29Å; Y971-S975 WeakPolarHBondContact O-CB 2.79Å; Y971-S975 PolarHBondContact O-N 3.46Å; Y971-R1074 HydrophobicContact CD1-CB 4.24Å; Y971-R1074 HydrophobicContact CE1-CB 3.67Å; Y971-R1074 HydrophobicContact CE1-CG 4.46Å; Y971-R1074 WeakPolarHBondContact CE1-O 3.41Å; Y971-R1074 PolarHBondContact OH-N 3.47Å; Y971-V1129 HydrophobicContact CE1-CG1 3.84Å; Y971-V1129 HydrophobicContact CE1-CG2 4.42Å |
| 972 | Q | 97.5 | Very high | 93.9 | Very high | 14 Ų | 14 | 53.4 Ų | 53.4 | 7% | 0.065 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 179.3 | -166 | -173.8 | 32.2 | 0 | 0 | 110.8 | T920 Y968 G969 F976 K1128 V1129 C1225 N1226 | T920-Q972 VanDerWaalsContact CG2-OE1 3.28Å; T920-Q972 PolarHBondContact OG1-OE1 3.5Å; Y968-Q972 HydrophobicContact CD1-CB 4.43Å; Y968-Q972 HydrophobicContact CE1-CB 4.12Å; Y968-Q972 HydrophobicContact CE1-CG 4.48Å; Y968-Q972 PolarHBondContact O-N 3.01Å; G969-Q972 PolarHBondContact O-N 3.49Å; Q972-F976 PolarHBondContact O-N 2.67Å; Q972-K1128 PolarHBondContact NE2-O 2.96Å; Q972-V1129 HydrophobicContact CG-CG1 4.11Å; Q972-C1225 PolarHBondContact NE2-O 2.97Å; Q972-N1226 PolarHBondContact NE2-OD1 3.06Å |
| 973 | A | 95.1 | Very high | 93.1 | Very high | 49 Ų | 49 | 55.6 Ų | 55.6 | 41% | 0.405 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G969 Y971 S975 F976 I977 | G969-A973 WeakPolarHBondContact O-CB 3.4Å; G969-A973 PolarHBondContact O-N 2.9Å; Y971-A973 VanDerWaalsContact C-N 3.34Å; Y971-A973 PolarHBondContact O-N 2.86Å; A973-S975 PolarHBondContact O-N 3Å; A973-F976 PolarHBondContact O-N 2.78Å; A973-I977 WeakPolarHBondContact O-CG1 3.45Å; A973-I977 PolarHBondContact O-N 3.26Å |
| 974 | A | 96 | Very high | 91.9 | Very high | 56 Ų | 56 | 60.2 Ų | 60.2 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | A970 Y971 F976 I977 E978 | A970-A974 VanDerWaalsContact O-CB 3.25Å; A970-A974 WeakPolarHBondContact O-CB 3.29Å; A970-A974 PolarHBondContact O-N 2.9Å; Y971-A974 PolarHBondContact O-N 3.29Å; A974-F976 VanDerWaalsContact C-N 3.35Å; A974-F976 PolarHBondContact O-N 3.25Å; A974-I977 PolarHBondContact O-N 3.04Å; A974-E978 WeakPolarHBondContact O-CB 3.22Å; A974-E978 PolarHBondContact O-N 3.43Å |
| 975 | S | 94.8 | Very high | 90.6 | Very high | 18 Ų | 18 | 65 Ų | 65 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60 | -41.1 | 174.6 | 167.4 | 0 | 0 | 0 | 0 | 112.5 | Y971 A973 E978 A979 W1224 | Y971-S975 WeakPolarHBondContact O-CB 2.79Å; Y971-S975 PolarHBondContact O-N 3.46Å; A973-S975 PolarHBondContact O-N 3Å; S975-E978 PolarHBondContact O-N 2.93Å; S975-A979 PolarHBondContact O-N 3.07Å; S975-A979 VanDerWaalsContact O-N 3.12Å; S975-W1224 PolarHBondContact OG-NE1 2.95Å |
| 976 | F | 93.2 | Very high | 88.9 | Confident | 93 Ų | 93 | 69.8 Ų | 69.8 | 41% | 0.408 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.5 | -41.2 | 176.1 | -179.7 | -121.6 | 0 | 0 | 0 | 112.4 | Q972 A973 A974 E978 M980 W1224 | Q972-F976 PolarHBondContact O-N 2.67Å; A973-F976 PolarHBondContact O-N 2.78Å; A974-F976 VanDerWaalsContact C-N 3.35Å; A974-F976 PolarHBondContact O-N 3.25Å; F976-E978 VanDerWaalsContact C-N 3.32Å; F976-E978 PolarHBondContact O-N 2.97Å; F976-M980 HydrophobicContact CD1-CE 3.63Å; F976-M980 HydrophobicContact CE1-CE 3.35Å; F976-M980 HydrophobicContact CE1-SD 3.9Å; F976-M980 HydrophobicContact CE2-CE 4.41Å; F976-M980 HydrophobicContact CE2-CG 4.23Å; F976-M980 HydrophobicContact CE2-SD 4.23Å; F976-M980 HydrophobicContact CG-CE 4.27Å; F976-M980 HydrophobicContact CZ-CE 3.79Å; F976-M980 HydrophobicContact CZ-CG 4.29Å; F976-M980 HydrophobicContact CZ-SD 3.69Å; F976-M980 PolarHBondContact O-N 2.91Å; F976-M980 VanDerWaalsContact O-N 3.1Å; F976-W1224 HydrophobicContact CB-CD2 4.14Å; F976-W1224 HydrophobicContact CB-CG 4.22Å; F976-W1224 HydrophobicContact CB-CZ2 4.5Å; F976-W1224 AromaticContact CD2-CD2 3.71Å; F976-W1224 HydrophobicContact CD2-CD2 3.71Å; F976-W1224 AromaticContact CD2-CE3 3.58Å; F976-W1224 HydrophobicContact CD2-CE3 3.58Å; F976-W1224 HydrophobicContact CD2-CG 4.31Å; F976-W1224 HydrophobicContact CD2-CH2 4.27Å; F976-W1224 HydrophobicContact CD2-CZ2 4.36Å; F976-W1224 AromaticContact CD2-CZ3 3.89Å; F976-W1224 HydrophobicContact CD2-CZ3 3.89Å; F976-W1224 HydrophobicContact CE2-CE3 4.13Å; F976-W1224 HydrophobicContact CE2-CZ3 4.35Å; F976-W1224 HydrophobicContact CG-CD2 4.35Å |
| 977 | I | 93.4 | Very high | 86.7 | Confident | 85 Ų | 85 | 74.5 Ų | 74.5 | 44% | 0.436 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.8 | -31.8 | 176.5 | -68.1 | 165.6 | 0 | 0 | 0 | 111.9 | A973 A974 M980 K981 | A973-I977 WeakPolarHBondContact O-CG1 3.45Å; A973-I977 PolarHBondContact O-N 3.26Å; A974-I977 PolarHBondContact O-N 3.04Å; I977-M980 HydrophobicContact CG1-CE 4.47Å; I977-K981 WeakPolarHBondContact O-CD 3.45Å; I977-K981 VanDerWaalsContact O-CG 3.32Å; I977-K981 WeakPolarHBondContact O-CG 3.34Å; I977-K981 PolarHBondContact O-N 2.84Å |
| 978 | E | 90.7 | Very high | 84.6 | Confident | 88 Ų | 88 | 76.8 Ų | 76.8 | 41% | 0.411 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.3 | -53.1 | 173.7 | -174.4 | -174.8 | -122.2 | 0 | 0 | 111.1 | A974 S975 F976 M980 K981 E982 K1071 | A974-E978 WeakPolarHBondContact O-CB 3.22Å; A974-E978 PolarHBondContact O-N 3.43Å; S975-E978 PolarHBondContact O-N 2.93Å; F976-E978 VanDerWaalsContact C-N 3.32Å; F976-E978 PolarHBondContact O-N 2.97Å; E978-M980 PolarHBondContact O-N 3.19Å; E978-K981 WeakPolarHBondContact O-CA 3.31Å; E978-K981 WeakPolarHBondContact O-CB 3.41Å; E978-K981 PolarHBondContact O-N 3.5Å; E978-E982 PolarHBondContact O-N 3.47Å; E978-K1071 VanDerWaalsContact CD-NZ 3.35Å; E978-K1071 IonicContact OE1-NZ 2.87Å; E978-K1071 WeakPolarHBondContact OE2-CE 3.32Å; E978-K1071 IonicContact OE2-NZ 3.61Å; E978-K1071 PolarHBondContact OE2-NZ 2.95Å |
| 979 | A | 89.1 | Confident | 82 | Confident | 17 Ų | 17 | 81.2 Ų | 81.2 | 14% | 0.14 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59.4 | -42.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S975 K981 E982 E983 W1224 | S975-A979 PolarHBondContact O-N 3.07Å; S975-A979 VanDerWaalsContact O-N 3.12Å; A979-K981 PolarHBondContact O-N 3.13Å; A979-K981 VanDerWaalsContact O-N 3.13Å; A979-E982 PolarHBondContact O-N 2.94Å; A979-E982 VanDerWaalsContact O-N 3.11Å; A979-E983 PolarHBondContact O-N 3.03Å; A979-W1224 HydrophobicContact CB-CH2 3.41Å; A979-W1224 VanDerWaalsContact CB-CH2 3.41Å; A979-W1224 HydrophobicContact CB-CZ2 3.62Å |
| 980 | M | 85.6 | Confident | 79 | Confident | 66 Ų | 66 | 84 Ų | 84 | 33% | 0.325 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.6 | -13.5 | 174 | -77.4 | -164.5 | -64.5 | 0 | 0 | 114.4 | F976 I977 E978 K984 | F976-M980 HydrophobicContact CD1-CE 3.63Å; F976-M980 HydrophobicContact CE1-CE 3.35Å; F976-M980 HydrophobicContact CE1-SD 3.9Å; F976-M980 HydrophobicContact CE2-CE 4.41Å; F976-M980 HydrophobicContact CE2-CG 4.23Å; F976-M980 HydrophobicContact CE2-SD 4.23Å; F976-M980 HydrophobicContact CG-CE 4.27Å; F976-M980 HydrophobicContact CZ-CE 3.79Å; F976-M980 HydrophobicContact CZ-CG 4.29Å; F976-M980 HydrophobicContact CZ-SD 3.69Å; F976-M980 PolarHBondContact O-N 2.91Å; F976-M980 VanDerWaalsContact O-N 3.1Å; I977-M980 HydrophobicContact CG1-CE 4.47Å; E978-M980 PolarHBondContact O-N 3.19Å; M980-K984 VanDerWaalsContact O-CD 3.25Å; M980-K984 WeakPolarHBondContact O-CD 3.32Å; M980-K984 VanDerWaalsContact O-CG 3.26Å; M980-K984 WeakPolarHBondContact O-CG 3.3Å |
| 981 | K | 86 | Confident | 75.8 | Confident | 131 Ų | 131 | 86.2 Ų | 86.2 | 57% | 0.57 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -89 | -43.2 | 168.9 | -69.2 | 165.9 | -177.8 | 177.3 | 0 | 110.9 | I977 E978 A979 E983 K984 I985 | I977-K981 WeakPolarHBondContact O-CD 3.45Å; I977-K981 VanDerWaalsContact O-CG 3.32Å; I977-K981 WeakPolarHBondContact O-CG 3.34Å; I977-K981 PolarHBondContact O-N 2.84Å; E978-K981 WeakPolarHBondContact O-CA 3.31Å; E978-K981 WeakPolarHBondContact O-CB 3.41Å; E978-K981 PolarHBondContact O-N 3.5Å; A979-K981 PolarHBondContact O-N 3.13Å; A979-K981 VanDerWaalsContact O-N 3.13Å; K981-E983 PolarHBondContact O-N 3.29Å; K981-K984 PolarHBondContact O-N 3.06Å; K981-I985 WeakPolarHBondContact O-CG1 3.25Å; K981-I985 PolarHBondContact O-N 3.27Å |
| 982 | E | 81.2 | Confident | 72.7 | Confident | 93 Ų | 93 | 87.8 Ų | 87.8 | 44% | 0.435 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -53.8 | -50.6 | 175.2 | -67.3 | 173 | 170.1 | 0 | 0 | 110.4 | E978 A979 K984 I985 V986 K1071 | E978-E982 PolarHBondContact O-N 3.47Å; A979-E982 PolarHBondContact O-N 2.94Å; A979-E982 VanDerWaalsContact O-N 3.11Å; E982-K984 PolarHBondContact O-N 3.36Å; E982-I985 PolarHBondContact O-N 3.31Å; E982-V986 WeakPolarHBondContact O-CG2 3.35Å; E982-V986 PolarHBondContact O-N 2.89Å; E982-V986 VanDerWaalsContact O-N 3.16Å; E982-K1071 IonicContact OE1-NZ 3.56Å; E982-K1071 PolarHBondContact OE1-NZ 3.15Å; E982-K1071 IonicContact OE2-NZ 3.38Å; E982-K1071 PolarHBondContact OE2-NZ 3.23Å |
| 983 | E | 77.1 | Confident | 69.6 | Low | 125 Ų | 125 | 93.5 Ų | 93.5 | 58% | 0.584 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.7 | -39.6 | 176.1 | -71 | -175.7 | 153.9 | 0 | 0 | 113.8 | A979 K981 V986 N987 | A979-E983 PolarHBondContact O-N 3.03Å; K981-E983 PolarHBondContact O-N 3.29Å; E983-V986 PolarHBondContact O-N 3.27Å; E983-N987 WeakPolarHBondContact O-CB 3.46Å; E983-N987 PolarHBondContact O-N 3.48Å; E983-N987 PolarHBondContact O-ND2 3.2Å |
| 984 | K | 73.4 | Confident | 66.7 | Low | 138 Ų | 138 | 97.2 Ų | 97.2 | 60% | 0.6 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.3 | -34.8 | -179.9 | -75.3 | 176.2 | -173 | 174.1 | 0 | 111.9 | M980 K981 E982 F988 | M980-K984 VanDerWaalsContact O-CD 3.25Å; M980-K984 WeakPolarHBondContact O-CD 3.32Å; M980-K984 VanDerWaalsContact O-CG 3.26Å; M980-K984 WeakPolarHBondContact O-CG 3.3Å; K981-K984 PolarHBondContact O-N 3.06Å; E982-K984 PolarHBondContact O-N 3.36Å; K984-F988 WeakPolarHBondContact O-CD2 3.34Å; K984-F988 PolarHBondContact O-N 3.13Å |
| 985 | I | 69.5 | Low | 63.5 | Low | 121 Ų | 121 | 101.3 Ų | 101.3 | 62% | 0.621 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.1 | -45.1 | 175.7 | -67.7 | 163 | 0 | 0 | 0 | 110.2 | K981 E982 N987 F988 S989 | K981-I985 WeakPolarHBondContact O-CG1 3.25Å; K981-I985 PolarHBondContact O-N 3.27Å; E982-I985 PolarHBondContact O-N 3.31Å; I985-N987 PolarHBondContact O-N 3.45Å; I985-F988 PolarHBondContact O-N 3.14Å; I985-S989 PolarHBondContact O-N 3.17Å |
| 986 | V | 61 | Low | 60.4 | Low | 99 Ų | 99 | 105 Ų | 105 | 60% | 0.6 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -58.8 | -48.1 | 175.9 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | E982 E983 F988 S989 | E982-V986 WeakPolarHBondContact O-CG2 3.35Å; E982-V986 PolarHBondContact O-N 2.89Å; E982-V986 VanDerWaalsContact O-N 3.16Å; E983-V986 PolarHBondContact O-N 3.27Å; V986-F988 VanDerWaalsContact C-N 3.31Å; V986-F988 PolarHBondContact O-N 3.48Å; V986-S989 PolarHBondContact O-N 3.17Å; V986-S989 PolarHBondContact O-OG 3.22Å |
| 987 | N | 51.2 | Low | 57.3 | Low | 127 Ų | 127 | 106.4 Ų | 106.4 | 68% | 0.679 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.3 | -27 | 179.2 | -75.6 | -54.7 | 0 | 0 | 0 | 114.3 | E983 I985 | E983-N987 WeakPolarHBondContact O-CB 3.46Å; E983-N987 PolarHBondContact O-N 3.48Å; E983-N987 PolarHBondContact O-ND2 3.2Å; I985-N987 PolarHBondContact O-N 3.45Å |
| 988 | F | 52.5 | Low | 54.4 | Low | 174 Ų | 174 | 108.7 Ų | 108.7 | 76% | 0.763 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -79.1 | -27.4 | 175 | -98.7 | -90.7 | 0 | 0 | 0 | 113.5 | K984 I985 V986 G990 S991 | K984-F988 WeakPolarHBondContact O-CD2 3.34Å; K984-F988 PolarHBondContact O-N 3.13Å; I985-F988 PolarHBondContact O-N 3.14Å; V986-F988 VanDerWaalsContact C-N 3.31Å; V986-F988 PolarHBondContact O-N 3.48Å; F988-G990 VanDerWaalsContact C-N 3.33Å; F988-G990 PolarHBondContact O-N 3.36Å; F988-S991 PolarHBondContact O-OG 3.05Å |
| 989 | S | 44 | Very low | 51.5 | Low | 97 Ų | 97 | 111 Ų | 111 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -78.3 | -10.4 | 179.4 | 66.1 | 0 | 0 | 0 | 0 | 115 | I985 V986 S991 | I985-S989 PolarHBondContact O-N 3.17Å; V986-S989 PolarHBondContact O-N 3.17Å; V986-S989 PolarHBondContact O-OG 3.22Å; S989-S991 PolarHBondContact O-N 2.9Å |
| 990 | G | 33.9 | Very low | 48.6 | Very low | 65 Ų | 65 | 115.2 Ų | 115.2 | 67% | 0.67 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 16.2 | -174 | 0 | 0 | 0 | 0 | 0 | 116.9 | F988 A992 | F988-G990 VanDerWaalsContact C-N 3.33Å; F988-G990 PolarHBondContact O-N 3.36Å; G990-A992 PolarHBondContact O-N 3.09Å |
| 991 | S | 29.4 | Very low | 46.1 | Very low | 108 Ų | 108 | 119.3 Ų | 119.3 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | trans | -98.5 | 67.1 | -168.5 | 50 | 0 | 0 | 0 | 0 | 114.8 | F988 S989 | F988-S991 PolarHBondContact O-OG 3.05Å; S989-S991 PolarHBondContact O-N 2.9Å | ||
| 992 | A | 32.3 | Very low | 43.3 | Very low | 80 Ų | 80 | 118.8 Ų | 118.8 | 66% | 0.661 | 71% | 0.712 | S | S | * | * | trans | -122.5 | 124.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G990 V994 | G990-A992 PolarHBondContact O-N 3.09Å; A992-V994 PolarHBondContact O-N 3.02Å | ||
| 993 | P | 33 | Very low | 41 | Very low | 133 Ų | 133 | 122.2 Ų | 122.2 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | trans | -81.6 | 108.5 | -175.5 | 31.2 | -33.2 | 0 | 0 | 0 | 111.8 | ||||
| 994 | V | 33.5 | Very low | 38.6 | Very low | 128 Ų | 128 | 121.3 Ų | 121.3 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | -116.9 | 119.1 | 169.9 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | A992 | A992-V994 PolarHBondContact O-N 3.02Š| ||
| 995 | T | 29 | Very low | 36.6 | Very low | 141 Ų | 141 | 119.1 Ų | 119.1 | 87% | 0.865 | 75% | 0.747 | S | S | * | * | trans | -91.5 | 103.4 | -178.5 | 49.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 996 | S | 29.8 | Very low | 34.6 | Very low | 96 Ų | 96 | 121 Ų | 121 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | trans | -161.8 | 126.1 | 156.2 | 40.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 997 | T | 28.3 | Very low | 33.1 | Very low | 122 Ų | 122 | 121.6 Ų | 121.6 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | 12.7 | 116.3 | 150 | 52.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 998 | P | 31.1 | Very low | 32.1 | Very low | 133 Ų | 133 | 121.2 Ų | 121.2 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 116.8 | 163.1 | 32.1 | -31 | 0 | 0 | 0 | 111.3 | ||
| 999 | T | 31.5 | Very low | 30.9 | Very low | 136 Ų | 136 | 120.4 Ų | 120.4 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 121.9 | 166.7 | 47.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1000 | S | 28.2 | Very low | 30.2 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 138.9 | -179.4 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1001 | N | 32.6 | Very low | 30 | Very low | 152 Ų | 152 | 126.6 Ų | 126.6 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -153.3 | 120.9 | 140.4 | -100.5 | -32.3 | 0 | 0 | 0 | 110.5 | ||||
| 1002 | T | 27.6 | Very low | 29.9 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | trans | 26.4 | 123.1 | 136.3 | -36.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1003 | I | 31.7 | Very low | 29.8 | Very low | 166 Ų | 166 | 128 Ų | 128 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | -131.9 | 146.2 | 59.6 | -72.1 | 163.1 | 0 | 0 | 0 | 113.6 | |||||
| 1004 | S | 27.3 | Very low | 29.7 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | -108.7 | 134.2 | 180 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1005 | A | 30.8 | Very low | 29.5 | Very low | 91 Ų | 91 | 125.7 Ų | 125.7 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -155.6 | 89.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1006 | I | 27.4 | Very low | 29.6 | Very low | 161 Ų | 161 | 125.9 Ų | 125.9 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | 40.4 | 111.7 | 139 | -50.9 | 164.3 | 0 | 0 | 0 | 118.5 | V1008 | I1006-V1008 HydrophobicContact CG2-CG2 4.34Š| ||
| 1007 | S | 30 | Very low | 29.5 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -133.7 | 132.1 | 133.3 | 62.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1008 | V | 30.3 | Very low | 29.7 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -104.8 | 112 | 178.6 | 174.6 | 0 | 0 | 0 | 0 | 108.1 | I1006 | I1006-V1008 HydrophobicContact CG2-CG2 4.34Š| ||
| 1009 | D | 27.3 | Very low | 29.8 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | -89.8 | 126.9 | 172.7 | -87.5 | -47.1 | 0 | 0 | 0 | 111.5 | ||||
| 1010 | T | 29.4 | Very low | 29.9 | Very low | 106 Ų | 106 | 126 Ų | 126 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | trans | -118.3 | 115 | 174.1 | 34.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1011 | K | 29.8 | Very low | 30.1 | Very low | 187 Ų | 187 | 126.9 Ų | 126.9 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | 65.9 | 114.9 | 143.1 | -60.9 | 171.5 | -177.2 | 173.3 | 0 | 116.9 | ||||
| 1012 | S | 27.2 | Very low | 30.1 | Very low | 106 Ų | 106 | 126.1 Ų | 126.1 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | cis | 103.6 | 106.9 | 35.2 | 69.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1013 | S | 30.7 | Very low | 30.3 | Very low | 112 Ų | 112 | 124.1 Ų | 124.1 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -177.3 | 143.7 | 162.1 | 52 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1014 | T | 30.2 | Very low | 30.3 | Very low | 141 Ų | 141 | 122.3 Ų | 122.3 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | cis | -168.4 | 148.5 | -12.6 | 20.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1015 | G | 29.2 | Very low | 30.4 | Very low | 70 Ų | 70 | 121.1 Ų | 121.1 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 89.3 | 146.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1016 | N | 31.2 | Very low | 30.4 | Very low | 146 Ų | 146 | 128.7 Ų | 128.7 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | cis | -147.2 | 146.9 | 3.3 | -100.5 | -17.6 | 0 | 0 | 0 | 112.3 | ||||
| 1017 | L | 28.9 | Very low | 30.5 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | 36.7 | 124.4 | 145.3 | -63.5 | 158.1 | 0 | 0 | 0 | 118.7 | ||||
| 1018 | S | 32.1 | Very low | 30.4 | Very low | 95 Ų | 95 | 131 Ų | 131 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | -179.5 | 164.4 | 57.6 | 44.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1019 | N | 33.6 | Very low | 30.5 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | 62.8 | 115.4 | 163.7 | -57.9 | -15.9 | 0 | 0 | 0 | 117.7 | ||||
| 1020 | A | 31.8 | Very low | 30.5 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | 77.7 | 137.3 | 68.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1021 | V | 32.3 | Very low | 30.5 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | cis | -160.9 | 146.2 | 3.1 | 102.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1022 | T | 32.6 | Very low | 30.4 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | 49.1 | 148.4 | 165.8 | 61.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1023 | G | 32.1 | Very low | 30.4 | Very low | 78 Ų | 78 | 131.1 Ų | 131.1 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | cis | -169.7 | -156.8 | 11.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1024 | S | 31.4 | Very low | 30.3 | Very low | 128 Ų | 128 | 130 Ų | 130 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | trans | -97.3 | 148.2 | -157.2 | 57.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1025 | G | 30.9 | Very low | 30.2 | Very low | 80 Ų | 80 | 131.5 Ų | 131.5 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -154.6 | 126.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1026 | R | 29.6 | Very low | 30.1 | Very low | 251 Ų | 251 | 132.5 Ų | 132.5 | 95% | 0.947 | 77% | 0.766 | S | S | * | * | trans | -83.9 | 174.9 | 176.9 | -73.8 | 173 | 174.3 | 171.8 | -3.6 | 111.8 | ||||
| 1027 | K | 29.1 | Very low | 29.9 | Very low | 178 Ų | 178 | 131.2 Ų | 131.2 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | cis | 169.2 | 158.1 | -33.3 | -150.1 | -173 | -171.9 | -167.2 | 0 | 107.3 | ||||
| 1028 | N | 29.4 | Very low | 30 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | 74.5 | 154.6 | 173.1 | -48.7 | -3.5 | 0 | 0 | 0 | 115.2 | ||||
| 1029 | S | 31.5 | Very low | 29.8 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | cis | -146.4 | 144.3 | 0.5 | 43.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1030 | T | 27.7 | Very low | 29.5 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | cis | 79 | 104.6 | 40.8 | 66.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1031 | H | 29.2 | Very low | 29.3 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 69% | 0.69 | 76% | 0.763 | S | S | * | * | trans | 164.7 | 154.3 | 154.3 | -93.5 | -152.9 | 0 | 0 | 0 | 105.7 | ||||
| 1032 | W | 28.1 | Very low | 29.1 | Very low | 205 Ų | 205 | 135.4 Ų | 135.4 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | cis | -153.1 | 154.8 | -16.9 | -103.4 | -10.2 | 0 | 0 | 0 | 105.9 | ||||
| 1033 | S | 26 | Very low | 28.8 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | 66.9 | 128.8 | 59.5 | -40.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1034 | S | 28.4 | Very low | 28.7 | Very low | 90 Ų | 90 | 137 Ų | 137 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | cis | -161.8 | 169.7 | 3.7 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1035 | E | 28.2 | Very low | 28.6 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | trans | 63.8 | 169.1 | 150.2 | -70 | 147.7 | 148.4 | 0 | 0 | 121.5 | ||||
| 1036 | S | 27.2 | Very low | 28.7 | Very low | 91 Ų | 91 | 140.8 Ų | 140.8 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | -166.4 | 164.5 | -63.6 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1037 | T | 28.7 | Very low | 28.7 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | trans | 71.6 | 133.2 | 154.6 | 45.7 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1038 | N | 29.3 | Very low | 29.1 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | trans | 92.4 | 114.3 | 139.2 | -69.5 | 8 | 0 | 0 | 0 | 124.4 | ||||
| 1039 | S | 28.4 | Very low | 29.1 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | 70.6 | 112.9 | 127.5 | 67.1 | 0 | 0 | 0 | 0 | 124 | |||||
| 1040 | E | 27.5 | Very low | 29 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | 88.2 | 134.1 | 122.4 | -75.6 | -170.7 | 173.8 | 0 | 0 | 124.7 | |||||
| 1041 | L | 28.4 | Very low | 29.1 | Very low | 140 Ų | 140 | 131 Ų | 131 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | trans | 73.9 | 92.8 | 140.8 | -67.6 | 168 | 0 | 0 | 0 | 123.7 | ||||
| 1042 | N | 26.7 | Very low | 29.1 | Very low | 142 Ų | 142 | 133 Ų | 133 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | 96.3 | 147.4 | 104 | -141.6 | 8.9 | 0 | 0 | 0 | 123.1 | |||||
| 1043 | V | 27.3 | Very low | 29.1 | Very low | 99 Ų | 99 | 130 Ų | 130 | 60% | 0.6 | 74% | 0.744 | S | S | * | * | trans | 46.9 | 111.4 | 165.5 | -134.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1044 | N | 29 | Very low | 29.2 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | 163.7 | 145.5 | 107.8 | -88.4 | -65.6 | 0 | 0 | 0 | 113.7 | |||||
| 1045 | Q | 29.6 | Very low | 29.1 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | trans | -110 | 167.1 | 160.9 | -63.7 | -174.8 | -16 | 0 | 0 | 109.2 | ||||
| 1046 | P | 34 | Very low | 29.2 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | -148 | 174.1 | 92.4 | 37.3 | -19.3 | 0 | 0 | 0 | 116.1 | |||||
| 1047 | H | 28.9 | Very low | 29.2 | Very low | 152 Ų | 152 | 132.2 Ų | 132.2 | 70% | 0.704 | 76% | 0.759 | S | S | * | * | trans | -73 | 168.9 | 172.9 | -71.4 | -91.6 | 0 | 0 | 0 | 114 | ||||
| 1048 | P | 37.1 | Very low | 29.1 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | -131.6 | 174.6 | 123.2 | 38.2 | -30.6 | 0 | 0 | 0 | 114.3 | |||||
| 1049 | V | 30.4 | Very low | 29 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | -138.1 | 139.2 | -167.1 | 172.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1050 | G | 29.6 | Very low | 28.8 | Very low | 69 Ų | 69 | 134.2 Ų | 134.2 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 93.7 | 158.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1051 | S | 30 | Very low | 28.9 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | cis | -170.4 | 147.6 | -11.7 | 64.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1052 | K | 28.6 | Very low | 28.8 | Very low | 191 Ų | 191 | 132.1 Ų | 132.1 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | trans | 69 | 154.7 | 155.7 | -69.8 | 177 | 179.6 | 177.6 | 0 | 117.2 | ||||
| 1053 | L | 28 | Very low | 28.7 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | cis | -157.2 | 156.8 | 3 | -127.1 | 166.3 | 0 | 0 | 0 | 111.9 | ||||
| 1054 | S | 27.1 | Very low | 28.6 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | 58.5 | 135.6 | 156.2 | 52.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1055 | G | 28.2 | Very low | 28.5 | Very low | 70 Ų | 70 | 138.5 Ų | 138.5 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | 161.2 | 48.8 | 171 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1056 | D | 29.3 | Very low | 28.5 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | 49.5 | 126 | 152.3 | -54.4 | -19.2 | 0 | 0 | 0 | 125.2 | ||||
| 1057 | E | 27.5 | Very low | 28.4 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | 87.5 | 130.9 | 133.3 | -79.8 | -167.7 | -162.4 | 0 | 0 | 125.8 | ||||
| 1058 | N | 25.5 | Very low | 29 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | trans | 63.3 | 81.7 | 143.3 | -57.7 | -23.8 | 0 | 0 | 0 | 121.5 | ||||
| 1059 | N | 28.2 | Very low | 30 | Very low | 159 Ų | 159 | 139 Ų | 139 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | -161.8 | 96.3 | 109.6 | -126.4 | -32.4 | 0 | 0 | 0 | 113.5 | |||||
| 1060 | S | 24.8 | Very low | 32 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -107 | 93.9 | 168.7 | 60 | 0 | 0 | 0 | 0 | 110 | S1062 | S1060-S1062 PolarHBondContact O-N 2.59Š| ||
| 1061 | L | 27.8 | Very low | 34.7 | Very low | 167 Ų | 167 | 136.5 Ų | 136.5 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | trans | -60.8 | 126.7 | 171.6 | -86.1 | 164.6 | 0 | 0 | 0 | 109.6 | N1063 | L1061-N1063 PolarHBondContact O-N 2.95Š| ||
| 1062 | S | 26.6 | Very low | 37.7 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | -75 | 123.5 | -169.2 | 42.6 | 0 | 0 | 0 | 0 | 112 | S1060 Q1064 | S1060-S1062 PolarHBondContact O-N 2.59Å; S1062-Q1064 PolarHBondContact O-N 3.49Å | ||
| 1063 | N | 24.9 | Very low | 40.9 | Very low | 156 Ų | 156 | 128.8 Ų | 128.8 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | trans | -60.6 | 102.8 | 163.2 | -103.1 | -21.3 | 0 | 0 | 0 | 108.9 | L1061 Q1065 | L1061-N1063 PolarHBondContact O-N 2.95Å; N1063-Q1065 VanDerWaalsContact C-N 3.28Å; N1063-Q1065 PolarHBondContact O-N 3.45Å | ||
| 1064 | Q | 26 | Very low | 44.2 | Very low | 181 Ų | 181 | 128 Ų | 128 | 85% | 0.846 | 70% | 0.699 | S | S | * | * | trans | -69 | 93.5 | 158 | -77.8 | -168.7 | -17.3 | 0 | 0 | 107.8 | S1062 N1066 | S1062-Q1064 PolarHBondContact O-N 3.49Å; Q1064-N1066 PolarHBondContact O-N 2.95Å | ||
| 1065 | Q | 27.4 | Very low | 47.6 | Very low | 187 Ų | 187 | 122.8 Ų | 122.8 | 87% | 0.874 | 66% | 0.661 | S | S | * | * | trans | -64.5 | 81.5 | 166 | -75.8 | -173.7 | -43.8 | 0 | 0 | 109.1 | N1063 S1067 | N1063-Q1065 VanDerWaalsContact C-N 3.28Å; N1063-Q1065 PolarHBondContact O-N 3.45Å; Q1065-S1067 PolarHBondContact O-N 3.19Å; Q1065-S1067 VanDerWaalsContact O-N 3.14Å | ||
| 1066 | N | 28.4 | Very low | 50.9 | Low | 150 Ų | 150 | 119.5 Ų | 119.5 | 80% | 0.802 | 63% | 0.627 | S | S | * | * | trans | -69.1 | 110.1 | 170.2 | -160.7 | 3.9 | 0 | 0 | 0 | 107.2 | Q1064 G1068 | Q1064-N1066 PolarHBondContact O-N 2.95Å; N1066-G1068 PolarHBondContact O-N 3.22Å | ||
| 1067 | S | 32.3 | Very low | 54 | Low | 122 Ų | 122 | 112.7 Ų | 112.7 | 85% | 0.853 | 59% | 0.591 | S | S | * | * | trans | -72.8 | 68 | -179.7 | -169 | 0 | 0 | 0 | 0 | 110 | Q1065 R1069 | Q1065-S1067 PolarHBondContact O-N 3.19Å; Q1065-S1067 VanDerWaalsContact O-N 3.14Å; S1067-R1069 PolarHBondContact O-N 3Å | ||
| 1068 | G | 41.1 | Very low | 57 | Low | 55 Ų | 55 | 107.9 Ų | 107.9 | 57% | 0.567 | 57% | 0.571 | S | S | * | * | trans | -73 | 105.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N1066 L1070 | N1066-G1068 PolarHBondContact O-N 3.22Å; G1068-L1070 PolarHBondContact O-N 3.49Å | ||
| 1069 | R | 58.4 | Low | 60.3 | Low | 250 Ų | 250 | 101.8 Ų | 101.8 | 94% | 0.943 | 54% | 0.538 | S | S | * | . | trans | -57.2 | 110.7 | 172.6 | -145.1 | 177.4 | -170.2 | 177.7 | 2.7 | 108.8 | S1067 K1071 | S1067-R1069 PolarHBondContact O-N 3Å; R1069-K1071 PolarHBondContact O-N 3.32Å | ||
| 1070 | L | 71.6 | Confident | 63.4 | Low | 72 Ų | 72 | 95.8 Ų | 95.8 | 38% | 0.377 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 131.6 | -174 | -66.8 | 171.9 | 0 | 0 | 0 | 111.7 | R938 Q940 G1068 L1072 | R938-L1070 HydrophobicContact CB-CB 4.23Å; R938-L1070 HydrophobicContact CB-CD1 4.33Å; Q940-L1070 HydrophobicContact CG-CD1 4.19Å; G1068-L1070 PolarHBondContact O-N 3.49Å; L1070-L1072 PolarHBondContact O-N 2.99Å |
| 1071 | K | 88 | Confident | 66.8 | Low | 82 Ų | 82 | 90.3 Ų | 90.3 | 36% | 0.357 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 123.2 | -175.9 | -166.6 | 168.1 | -177.2 | 176.6 | 0 | 109.6 | L939 E978 E982 R1069 | L939-K1071 HydrophobicContact CB-CB 4.34Å; L939-K1071 WeakPolarHBondContact CB-O 3.38Å; L939-K1071 HydrophobicContact CD2-CB 4.31Å; L939-K1071 PolarHBondContact N-O 3.39Å; E978-K1071 VanDerWaalsContact CD-NZ 3.35Å; E978-K1071 IonicContact OE1-NZ 2.87Å; E978-K1071 WeakPolarHBondContact OE2-CE 3.32Å; E978-K1071 IonicContact OE2-NZ 3.61Å; E978-K1071 PolarHBondContact OE2-NZ 2.95Å; E982-K1071 IonicContact OE1-NZ 3.56Å; E982-K1071 PolarHBondContact OE1-NZ 3.15Å; E982-K1071 IonicContact OE2-NZ 3.38Å; E982-K1071 PolarHBondContact OE2-NZ 3.23Å; R1069-K1071 PolarHBondContact O-N 3.32Å |
| 1072 | L | 92.3 | Very high | 69.8 | Low | 123 Ų | 123 | 84.4 Ų | 84.4 | 64% | 0.644 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 132.4 | 176.4 | -72 | 175.4 | 0 | 0 | 0 | 110.4 | Q937 R938 L1070 | Q937-L1072 WeakPolarHBondContact O-CA 3.38Å; R938-L1072 HydrophobicContact CG-CD2 4.19Å; L1070-L1072 PolarHBondContact O-N 2.99Å |
| 1073 | I | 95.7 | Very high | 73 | Confident | 9 Ų | 9 | 81.8 Ų | 81.8 | 5% | 0.046 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 160.2 | 177.7 | 54.6 | 169 | 0 | 0 | 0 | 110.3 | T936 Q937 L939 V1129 G1131 | T936-I1073 WeakPolarHBondContact CA-O 3.25Å; Q937-I1073 HydrophobicContact CB-CD1 4.33Å; Q937-I1073 HydrophobicContact CB-CG1 4.01Å; Q937-I1073 PolarHBondContact N-O 3.12Å; Q937-I1073 WeakPolarHBondContact O-CG1 3.47Å; Q937-I1073 PolarHBondContact O-N 3.41Å; L939-I1073 HydrophobicContact CB-CG2 4.09Å; I1073-V1129 HydrophobicContact CB-CG2 4.01Å; I1073-V1129 HydrophobicContact CG2-CG2 4.22Å; I1073-G1131 VanDerWaalsContact CD1-O 3.28Å; I1073-G1131 WeakPolarHBondContact CD1-O 3.4Å |
| 1074 | R | 97.1 | Very high | 76.1 | Confident | 128 Ų | 128 | 80.5 Ų | 80.5 | 48% | 0.483 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 137.3 | 173 | -58.9 | -178.7 | -173 | 95.6 | 0.9 | 108.2 | V934 R935 Y968 Y971 V1129 | V934-R1074 HydrophobicContact CG1-CB 3.8Å; V934-R1074 HydrophobicContact CG1-CG 4.25Å; R935-R1074 CarbonylContact O-C 3.42Å; R935-R1074 WeakPolarHBondContact O-CA 3.39Å; Y968-R1074 HydrophobicContact CE2-CB 4.27Å; Y968-R1074 PolarHBondContact OH-O 3.25Å; Y971-R1074 HydrophobicContact CD1-CB 4.24Å; Y971-R1074 HydrophobicContact CE1-CB 3.67Å; Y971-R1074 HydrophobicContact CE1-CG 4.46Å; Y971-R1074 WeakPolarHBondContact CE1-O 3.41Å; Y971-R1074 PolarHBondContact OH-N 3.47Å; R1074-V1129 WeakPolarHBondContact O-CG2 3.45Å |
| 1075 | F | 98 | Very high | 79.1 | Confident | 3 Ų | 3 | 81.6 Ų | 81.6 | 1% | 0.013 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 117.8 | 178.7 | 168.7 | -152.8 | 0 | 0 | 0 | 108.5 | V934 R935 Y968 Y1126 K1128 R1133 | V934-F1075 CarbonylContact C-O 3.52Å; V934-F1075 WeakPolarHBondContact CA-O 3.37Å; R935-F1075 HydrophobicContact CB-CB 4.42Å; R935-F1075 HydrophobicContact CB-CD1 4.44Å; R935-F1075 PolarHBondContact N-O 3.01Å; R935-F1075 PolarHBondContact O-N 3.43Å; Y968-F1075 WeakPolarHBondContact OH-CA 3.41Å; F1075-Y1126 HydrophobicContact CE2-CD1 4.09Å; F1075-Y1126 AromaticContact CZ-CD1 3.77Å; F1075-Y1126 HydrophobicContact CZ-CD1 3.77Å; F1075-K1128 HydrophobicContact CD2-CG 4.05Å; F1075-K1128 HydrophobicContact CE2-CD 4.27Å; F1075-K1128 HydrophobicContact CE2-CG 3.72Å; F1075-R1133 WeakPolarHBondContact CD1-O 3.23Å; F1075-R1133 VanDerWaalsContact CE1-O 3.24Å; F1075-R1133 WeakPolarHBondContact CE1-O 3.26Å |
| 1076 | G | 97.3 | Very high | 82.2 | Confident | 1 Ų | 1 | 77.1 Ų | 77.1 | 1% | 0.01 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 116.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | E933 Y968 Y1126 L1127 | E933-G1076 WeakPolarHBondContact O-CA 3.47Å; Y968-G1076 PolarHBondContact OH-N 3.43Å; G1076-Y1126 CarbonylContact O-C 3.58Å; G1076-Y1126 WeakPolarHBondContact O-CA 3.48Å; G1076-L1127 PolarHBondContact N-O 2.95Å; G1076-L1127 VanDerWaalsContact N-O 3.08Å; G1076-L1127 PolarHBondContact O-N 3.35Å |
| 1077 | T | 95.2 | Very high | 85.4 | Confident | 8 Ų | 8 | 70 Ų | 70 | 5% | 0.049 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 160.2 | -170.7 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | E933 R935 C1079 Y1126 | E933-T1077 HydrophobicContact CB-CG2 4.19Å; E933-T1077 WeakPolarHBondContact CB-O 3.41Å; E933-T1077 HydrophobicContact CG-CG2 3.91Å; E933-T1077 PolarHBondContact O-N 3.31Å; R935-T1077 HydrophobicContact CG-CG2 3.77Å; T1077-C1079 PolarHBondContact O-N 3.37Å; T1077-Y1126 WeakPolarHBondContact OG1-CD1 3.21Å; T1077-Y1126 WeakPolarHBondContact OG1-CE1 3.37Å |
| 1078 | N | 91.1 | Very high | 88.3 | Confident | 63 Ų | 63 | 68.7 Ų | 68.7 | 34% | 0.337 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.7 | 33.3 | 172.1 | -49 | 96.7 | 0 | 0 | 0 | 114.1 | D1080 Q1124 | N1078-D1080 PolarHBondContact O-N 3.44Å; N1078-Q1124 PolarHBondContact ND2-OE1 3.47Å |
| 1079 | C | 94 | Very high | 90.8 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.007 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 125.2 | 176.6 | -178 | 0 | 0 | 0 | 0 | 108.8 | V932 T1077 Q1124 L1125 | V932-C1079 HydrophobicContact CG2-CB 4.4Å; T1077-C1079 PolarHBondContact O-N 3.37Å; C1079-Q1124 CarbonylContact O-C 3.48Å; C1079-Q1124 WeakPolarHBondContact O-CA 3.48Å; C1079-L1125 HydrophobicContact CB-CB 4.03Å; C1079-L1125 HydrophobicContact CB-CD2 4.24Å; C1079-L1125 HydrophobicContact CB-CG 4.34Å; C1079-L1125 WeakPolarHBondContact CB-O 3.41Å; C1079-L1125 PolarHBondContact N-O 2.96Å; C1079-L1125 PolarHBondContact O-N 3.5Å |
| 1080 | D | 93.9 | Very high | 92.6 | Very high | 33 Ų | 33 | 57.7 Ų | 57.7 | 18% | 0.176 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 122.1 | -166.9 | 179.4 | 36.7 | 0 | 0 | 0 | 113 | H930 N1078 S1082 W1087 T1122 | H930-D1080 PolarHBondContact CE1-O 2.75Å; H930-D1080 PolarHBondContact NE2-O 2.78Å; H930-D1080 VanDerWaalsContact NE2-O 3.16Å; N1078-D1080 PolarHBondContact O-N 3.44Å; D1080-S1082 VanDerWaalsContact CG-OG 3.32Å; D1080-S1082 WeakPolarHBondContact OD1-CB 3.41Å; D1080-S1082 PolarHBondContact OD1-N 3.11Å; D1080-S1082 PolarHBondContact OD1-OG 3.48Å; D1080-S1082 WeakPolarHBondContact OD2-CB 3.41Å; D1080-S1082 PolarHBondContact OD2-OG 3.18Å; D1080-W1087 PolarHBondContact O-NE1 2.75Å; D1080-T1122 PolarHBondContact OD1-OG1 3.43Å |
| 1081 | L | 95.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -101.4 | 17.4 | 175 | -51.4 | -173.4 | 0 | 0 | 0 | 112.9 | F918 D1083 W1087 V1123 L1125 I1228 | F918-L1081 HydrophobicContact CD1-CD1 4.3Å; F918-L1081 HydrophobicContact CE1-CD1 4.15Å; L1081-D1083 VanDerWaalsContact C-N 3.3Å; L1081-D1083 PolarHBondContact O-N 3.4Å; L1081-W1087 VanDerWaalsContact CA-CD1 3.46Å; L1081-W1087 HydrophobicContact CB-CG 4.23Å; L1081-W1087 HydrophobicContact CD2-CD2 3.8Å; L1081-W1087 VanDerWaalsContact CD2-CE2 3.45Å; L1081-W1087 HydrophobicContact CD2-CE3 4.35Å; L1081-W1087 HydrophobicContact CD2-CG 4.16Å; L1081-W1087 HydrophobicContact CD2-CH2 4.25Å; L1081-W1087 HydrophobicContact CD2-CZ2 3.7Å; L1081-V1123 HydrophobicContact CB-CB 4.18Å; L1081-V1123 HydrophobicContact CB-CG1 4.45Å; L1081-V1123 WeakPolarHBondContact CB-O 3.2Å; L1081-V1123 HydrophobicContact CD1-CG1 4.03Å; L1081-V1123 PolarHBondContact N-O 3.32Å; L1081-L1125 HydrophobicContact CD1-CB 4.03Å; L1081-L1125 HydrophobicContact CD2-CB 4.25Å; L1081-L1125 HydrophobicContact CD2-CD2 4.26Å; L1081-L1125 HydrophobicContact CG-CB 4.04Å; L1081-I1228 HydrophobicContact CD1-CG2 4.49Å | ||
| 1082 | S | 92.3 | Very high | 94.1 | Very high | 44 Ų | 44 | 58.2 Ų | 58.2 | 31% | 0.308 | 29% | 0.286 | S | S | . | . | trans | -59 | -32.8 | -179.7 | 70 | 0 | 0 | 0 | 0 | 115.2 | D1080 Q1084 | D1080-S1082 VanDerWaalsContact CG-OG 3.32Å; D1080-S1082 WeakPolarHBondContact OD1-CB 3.41Å; D1080-S1082 PolarHBondContact OD1-N 3.11Å; D1080-S1082 PolarHBondContact OD1-OG 3.48Å; D1080-S1082 WeakPolarHBondContact OD2-CB 3.41Å; D1080-S1082 PolarHBondContact OD2-OG 3.18Å; S1082-Q1084 PolarHBondContact O-N 3.21Å | ||
| 1083 | D | 92.4 | Very high | 94.3 | Very high | 49 Ų | 49 | 53.1 Ų | 53.1 | 26% | 0.262 | 26% | 0.258 | S | S | . | . | trans | -72.3 | 98.3 | -174.2 | -174 | -23.6 | 0 | 0 | 0 | 111.5 | L1081 K1085 K1086 W1087 | L1081-D1083 VanDerWaalsContact C-N 3.3Å; L1081-D1083 PolarHBondContact O-N 3.4Å; D1083-K1085 PolarHBondContact O-N 3.32Å; D1083-K1085 VanDerWaalsContact O-N 3.15Å; D1083-K1085 WeakPolarHBondContact OD1-CA 3.23Å; D1083-K1085 WeakPolarHBondContact OD1-CB 3.24Å; D1083-K1085 PolarHBondContact OD1-N 2.84Å; D1083-K1086 HydrophobicContact CB-CB 4.06Å; D1083-K1086 HydrophobicContact CB-CD 4.2Å; D1083-K1086 HydrophobicContact CB-CG 4.17Å; D1083-K1086 PolarHBondContact O-N 3.47Å; D1083-K1086 PolarHBondContact OD1-N 3.05Å; D1083-K1086 WeakPolarHBondContact OD2-CG 3.33Å; D1083-K1086 IonicContact OD2-NZ 3.87Å; D1083-K1086 PolarHBondContact OD2-NZ 3.49Å; D1083-W1087 PolarHBondContact O-N 3.03Å | ||
| 1084 | Q | 89.9 | Confident | 94.4 | Very high | 130 Ų | 130 | 53.1 Ų | 53.1 | 61% | 0.607 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.1 | 179.7 | -165.8 | -179.3 | 15.7 | 0 | 0 | 113.8 | S1082 L1088 L1091 | S1082-Q1084 PolarHBondContact O-N 3.21Å; Q1084-L1088 HydrophobicContact CG-CD1 4.09Å; Q1084-L1088 WeakPolarHBondContact O-CA 3.36Å; Q1084-L1088 WeakPolarHBondContact O-CB 3.43Å; Q1084-L1088 PolarHBondContact O-N 3.2Å; Q1084-L1091 HydrophobicContact CB-CD1 4.27Å; Q1084-L1091 HydrophobicContact CG-CD1 4.38Å |
| 1085 | K | 90.6 | Very high | 94.3 | Very high | 203 Ų | 203 | 50.4 Ų | 50.4 | 88% | 0.883 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -33.6 | 175.1 | -61.7 | 178.2 | -179.4 | 174.8 | 0 | 111.5 | D1083 | D1083-K1085 PolarHBondContact O-N 3.32Å; D1083-K1085 VanDerWaalsContact O-N 3.15Å; D1083-K1085 WeakPolarHBondContact OD1-CA 3.23Å; D1083-K1085 WeakPolarHBondContact OD1-CB 3.24Å; D1083-K1085 PolarHBondContact OD1-N 2.84Å |
| 1086 | K | 91.7 | Very high | 94.1 | Very high | 93 Ų | 93 | 53.4 Ų | 53.4 | 40% | 0.404 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -29.3 | 177.5 | -71.4 | -173 | -178.6 | 83.8 | 0 | 113.8 | N927 D1083 | N927-K1086 PolarHBondContact ND2-O 3.2Å; N927-K1086 WeakPolarHBondContact OD1-CD 3.39Å; N927-K1086 WeakPolarHBondContact OD1-CG 3.42Å; D1083-K1086 HydrophobicContact CB-CB 4.06Å; D1083-K1086 HydrophobicContact CB-CD 4.2Å; D1083-K1086 HydrophobicContact CB-CG 4.17Å; D1083-K1086 PolarHBondContact O-N 3.47Å; D1083-K1086 PolarHBondContact OD1-N 3.05Å; D1083-K1086 WeakPolarHBondContact OD2-CG 3.33Å; D1083-K1086 IonicContact OD2-NZ 3.87Å; D1083-K1086 PolarHBondContact OD2-NZ 3.49Å |
| 1087 | W | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -129.1 | 24.6 | -165.7 | -54.2 | 121.4 | 0 | 0 | 0 | 114 | L923 N927 H930 I965 D1080 L1081 D1083 Q1090 L1091 | L923-W1087 HydrophobicContact CD2-CE3 4.4Å; L923-W1087 HydrophobicContact CD2-CH2 3.98Å; L923-W1087 HydrophobicContact CD2-CZ3 3.65Å; N927-W1087 HydrophobicContact CB-CH2 3.65Å; N927-W1087 HydrophobicContact CB-CZ2 3.87Å; N927-W1087 HydrophobicContact CB-CZ3 4.29Å; N927-W1087 VanDerWaalsContact ND2-CH2 3.35Å; N927-W1087 WeakPolarHBondContact ND2-CH2 3.48Å; N927-W1087 WeakPolarHBondContact ND2-CZ3 3.25Å; H930-W1087 HydrophobicContact CB-CZ2 4.42Å; H930-W1087 AromaticContact CE1-NE1 3.89Å; H930-W1087 AromaticContact ND1-CZ2 3.82Å; I965-W1087 HydrophobicContact CD1-CH2 3.82Å; I965-W1087 HydrophobicContact CD1-CZ2 4.05Å; D1080-W1087 PolarHBondContact O-NE1 2.75Å; L1081-W1087 VanDerWaalsContact CA-CD1 3.46Å; L1081-W1087 HydrophobicContact CB-CG 4.23Å; L1081-W1087 HydrophobicContact CD2-CD2 3.8Å; L1081-W1087 VanDerWaalsContact CD2-CE2 3.45Å; L1081-W1087 HydrophobicContact CD2-CE3 4.35Å; L1081-W1087 HydrophobicContact CD2-CG 4.16Å; L1081-W1087 HydrophobicContact CD2-CH2 4.25Å; L1081-W1087 HydrophobicContact CD2-CZ2 3.7Å; D1083-W1087 PolarHBondContact O-N 3.03Å; W1087-Q1090 HydrophobicContact CB-CB 4.49Å; W1087-Q1090 PolarHBondContact O-N 3.17Å; W1087-Q1090 PolarHBondContact O-OE1 3.02Å; W1087-L1091 HydrophobicContact CB-CD1 4.39Å; W1087-L1091 HydrophobicContact CB-CG 4.25Å; W1087-L1091 WeakPolarHBondContact O-CG 3.42Å; W1087-L1091 PolarHBondContact O-N 3.25Å |
| 1088 | L | 93.6 | Very high | 94.1 | Very high | 95 Ų | 95 | 53.2 Ų | 53.2 | 50% | 0.497 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -51.8 | -46.1 | -176.9 | -175.6 | 61.8 | 0 | 0 | 0 | 114 | Q1084 H1092 | Q1084-L1088 HydrophobicContact CG-CD1 4.09Å; Q1084-L1088 WeakPolarHBondContact O-CA 3.36Å; Q1084-L1088 WeakPolarHBondContact O-CB 3.43Å; Q1084-L1088 PolarHBondContact O-N 3.2Å; L1088-H1092 WeakPolarHBondContact O-CB 3.33Å; L1088-H1092 PolarHBondContact O-N 3.16Å |
| 1089 | P | 94.2 | Very high | 94.2 | Very high | 72 Ų | 72 | 54.5 Ų | 54.5 | 47% | 0.468 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 179 | -21.7 | 34.1 | 0 | 0 | 0 | 112 | L917 H1092 E1093 | L917-P1089 HydrophobicContact CD1-CB 4.34Å; L917-P1089 HydrophobicContact CD2-CB 4.29Å; P1089-H1092 PolarHBondContact O-N 3.26Å; P1089-E1093 WeakPolarHBondContact O-CB 3.38Å; P1089-E1093 PolarHBondContact O-N 3.01Å |
| 1090 | Q | 96.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.2 | -50.3 | 179 | -70.7 | 79.1 | 7.9 | 0 | 0 | 111.3 | L917 F918 W1087 E1093 | L917-Q1090 HydrophobicContact CB-CG 4.16Å; L917-Q1090 WeakPolarHBondContact O-CG 3.15Å; L917-Q1090 PolarHBondContact O-NE2 2.96Å; F918-Q1090 HydrophobicContact CD1-CB 4.29Å; F918-Q1090 HydrophobicContact CD1-CG 4.05Å; F918-Q1090 HydrophobicContact CE1-CB 3.61Å; F918-Q1090 HydrophobicContact CE1-CG 3.88Å; F918-Q1090 HydrophobicContact CE2-CB 4.48Å; F918-Q1090 HydrophobicContact CZ-CB 3.72Å; F918-Q1090 HydrophobicContact CZ-CG 4.19Å; F918-Q1090 WeakPolarHBondContact CZ-O 3.35Å; W1087-Q1090 HydrophobicContact CB-CB 4.49Å; W1087-Q1090 PolarHBondContact O-N 3.17Å; W1087-Q1090 PolarHBondContact O-OE1 3.02Å; Q1090-E1093 PolarHBondContact O-N 3.06Å |
| 1091 | L | 95.3 | Very high | 94.4 | Very high | 40 Ų | 40 | 54 Ų | 54 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.5 | -36 | -178.2 | -64.3 | 178.5 | 0 | 0 | 0 | 112.7 | Q1084 W1087 E1093 L1094 V1123 | Q1084-L1091 HydrophobicContact CB-CD1 4.27Å; Q1084-L1091 HydrophobicContact CG-CD1 4.38Å; W1087-L1091 HydrophobicContact CB-CD1 4.39Å; W1087-L1091 HydrophobicContact CB-CG 4.25Å; W1087-L1091 WeakPolarHBondContact O-CG 3.42Å; W1087-L1091 PolarHBondContact O-N 3.25Å; L1091-E1093 VanDerWaalsContact C-N 3.31Å; L1091-E1093 PolarHBondContact O-N 2.86Å; L1091-L1094 PolarHBondContact O-N 3.29Å; L1091-V1123 HydrophobicContact CD2-CB 4.31Å; L1091-V1123 HydrophobicContact CD2-CG2 3.88Å |
| 1092 | H | 95.2 | Very high | 94.5 | Very high | 126 Ų | 126 | 57.6 Ų | 57.6 | 58% | 0.583 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.5 | -39.2 | 175.8 | -177.1 | 72.2 | 0 | 0 | 0 | 111.5 | L1088 P1089 L1094 T1095 | L1088-H1092 WeakPolarHBondContact O-CB 3.33Å; L1088-H1092 PolarHBondContact O-N 3.16Å; P1089-H1092 PolarHBondContact O-N 3.26Å; H1092-L1094 VanDerWaalsContact C-N 3.27Å; H1092-L1094 PolarHBondContact O-N 2.81Å; H1092-T1095 VanDerWaalsContact O-CB 3.31Å; H1092-T1095 WeakPolarHBondContact O-CB 3.49Å; H1092-T1095 WeakPolarHBondContact O-CG2 3.42Å; H1092-T1095 PolarHBondContact O-N 3.18Å; H1092-T1095 PolarHBondContact O-OG1 3.48Å |
| 1093 | E | 96.8 | Very high | 94.6 | Very high | 16 Ų | 16 | 56.5 Ų | 56.5 | 8% | 0.075 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.4 | -36.4 | -179.6 | -172.8 | 61.4 | -172.5 | 0 | 0 | 112.7 | L913 D914 L917 P1089 Q1090 L1091 T1095 K1096 | L913-E1093 WeakPolarHBondContact CA-OE1 3.37Å; D914-E1093 PolarHBondContact N-OE1 2.93Å; L917-E1093 HydrophobicContact CD1-CB 4Å; L917-E1093 HydrophobicContact CD1-CG 4.13Å; P1089-E1093 WeakPolarHBondContact O-CB 3.38Å; P1089-E1093 PolarHBondContact O-N 3.01Å; Q1090-E1093 PolarHBondContact O-N 3.06Å; L1091-E1093 VanDerWaalsContact C-N 3.31Å; L1091-E1093 PolarHBondContact O-N 2.86Å; E1093-T1095 PolarHBondContact O-N 3.49Å; E1093-K1096 WeakPolarHBondContact O-CB 3.32Å; E1093-K1096 WeakPolarHBondContact O-CG 3.48Å; E1093-K1096 PolarHBondContact O-N 2.73Å; E1093-K1096 WeakPolarHBondContact OE1-CD 3.44Å; E1093-K1096 WeakPolarHBondContact OE1-CE 3.33Å; E1093-K1096 IonicContact OE1-NZ 2.56Å; E1093-K1096 PolarHBondContact OE1-NZ 3.09Å; E1093-K1096 WeakPolarHBondContact OE2-CE 3.44Å; E1093-K1096 IonicContact OE2-NZ 2.85Å; E1093-K1096 PolarHBondContact OE2-NZ 2.96Å |
| 1094 | L | 96.6 | Very high | 94.7 | Very high | 9 Ų | 9 | 59.3 Ų | 59.3 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -69.3 | -13.7 | 177.3 | -56.9 | 177.2 | 0 | 0 | 0 | 113.6 | F918 L1091 H1092 K1096 L1097 V1123 I1228 W1230 | F918-L1094 HydrophobicContact CE2-CD2 4.36Å; F918-L1094 HydrophobicContact CZ-CD1 4.17Å; F918-L1094 HydrophobicContact CZ-CD2 3.97Å; F918-L1094 HydrophobicContact CZ-CG 4.03Å; L1091-L1094 PolarHBondContact O-N 3.29Å; H1092-L1094 VanDerWaalsContact C-N 3.27Å; H1092-L1094 PolarHBondContact O-N 2.81Å; L1094-K1096 PolarHBondContact O-N 3.49Å; L1094-L1097 HydrophobicContact CB-CD1 4.2Å; L1094-L1097 HydrophobicContact CD2-CD1 4.19Å; L1094-L1097 VanDerWaalsContact O-CB 3.28Å; L1094-L1097 WeakPolarHBondContact O-CB 3.45Å; L1094-L1097 VanDerWaalsContact O-CG 3.3Å; L1094-L1097 WeakPolarHBondContact O-CG 3.47Å; L1094-L1097 PolarHBondContact O-N 3.3Å; L1094-V1123 HydrophobicContact CD1-CG1 4.45Å; L1094-V1123 HydrophobicContact CD1-CG2 3.65Å; L1094-I1228 HydrophobicContact CD1-CD1 4.26Å; L1094-I1228 HydrophobicContact CD2-CD1 3.68Å; L1094-W1230 HydrophobicContact CD1-CH2 4.11Å; L1094-W1230 HydrophobicContact CD1-CZ3 3.89Å; L1094-W1230 HydrophobicContact CD2-CH2 4.11Å; L1094-W1230 HydrophobicContact CD2-CZ3 4.44Å |
| 1095 | T | 94.8 | Very high | 94.9 | Very high | 71 Ų | 71 | 53.7 Ų | 53.7 | 44% | 0.436 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -66.7 | -19 | 173.2 | 70.4 | 0 | 0 | 0 | 0 | 112.9 | H1092 E1093 L1097 R1102 | H1092-T1095 VanDerWaalsContact O-CB 3.31Å; H1092-T1095 WeakPolarHBondContact O-CB 3.49Å; H1092-T1095 WeakPolarHBondContact O-CG2 3.42Å; H1092-T1095 PolarHBondContact O-N 3.18Å; H1092-T1095 PolarHBondContact O-OG1 3.48Å; E1093-T1095 PolarHBondContact O-N 3.49Å; T1095-L1097 PolarHBondContact O-N 2.86Å; T1095-R1102 VanDerWaalsContact O-CZ 3.25Å; T1095-R1102 PolarHBondContact O-NE 3.47Å; T1095-R1102 PolarHBondContact O-NH2 2.84Å |
| 1096 | K | 95.6 | Very high | 94.8 | Very high | 65 Ų | 65 | 47.5 Ų | 47.5 | 28% | 0.283 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -63 | -23.1 | 173.3 | -68.5 | 174.2 | 174.7 | 174.2 | 0 | 113.2 | H888 R912 L913 E1093 L1094 | H888-K1096 PolarHBondContact CE1-O 3.34Å; H888-K1096 PolarHBondContact NE2-O 2.78Å; R912-K1096 PolarHBondContact O-NZ 2.7Å; L913-K1096 HydrophobicContact CD2-CB 3.73Å; L913-K1096 HydrophobicContact CD2-CD 3.79Å; L913-K1096 HydrophobicContact CD2-CG 4.39Å; E1093-K1096 WeakPolarHBondContact O-CB 3.32Å; E1093-K1096 WeakPolarHBondContact O-CG 3.48Å; E1093-K1096 PolarHBondContact O-N 2.73Å; E1093-K1096 WeakPolarHBondContact OE1-CD 3.44Å; E1093-K1096 WeakPolarHBondContact OE1-CE 3.33Å; E1093-K1096 IonicContact OE1-NZ 2.56Å; E1093-K1096 PolarHBondContact OE1-NZ 3.09Å; E1093-K1096 WeakPolarHBondContact OE2-CE 3.44Å; E1093-K1096 IonicContact OE2-NZ 2.85Å; E1093-K1096 PolarHBondContact OE2-NZ 2.96Å; L1094-K1096 PolarHBondContact O-N 3.49Å |
| 1097 | L | 97 | Very high | 94.7 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -64.4 | 160.4 | -174.9 | -67.6 | 174.4 | 0 | 0 | 0 | 113.7 | H888 L907 L911 L913 L1094 T1095 V1101 R1102 I1148 W1230 | H888-L1097 PolarHBondContact CE1-O 3.43Å; L907-L1097 HydrophobicContact CD2-CD2 3.97Å; L911-L1097 HydrophobicContact CD1-CD2 3.96Å; L913-L1097 HydrophobicContact CD1-CD2 3.96Å; L1094-L1097 HydrophobicContact CB-CD1 4.2Å; L1094-L1097 HydrophobicContact CD2-CD1 4.19Å; L1094-L1097 VanDerWaalsContact O-CB 3.28Å; L1094-L1097 WeakPolarHBondContact O-CB 3.45Å; L1094-L1097 VanDerWaalsContact O-CG 3.3Å; L1094-L1097 WeakPolarHBondContact O-CG 3.47Å; L1094-L1097 PolarHBondContact O-N 3.3Å; T1095-L1097 PolarHBondContact O-N 2.86Å; L1097-V1101 HydrophobicContact CB-CG2 3.96Å; L1097-V1101 HydrophobicContact CD1-CG2 4.41Å; L1097-R1102 HydrophobicContact CB-CG 4.2Å; L1097-R1102 PolarHBondContact O-NE 2.57Å; L1097-R1102 PolarHBondContact O-NH2 3.44Å; L1097-I1148 HydrophobicContact CD1-CD1 4.26Å; L1097-I1148 HydrophobicContact CD2-CD1 4.26Å; L1097-W1230 HydrophobicContact CD1-CH2 3.72Å; L1097-W1230 HydrophobicContact CD1-CZ2 3.6Å |
| 1098 | P | 95 | Very high | 94.7 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | trans | -64.4 | 148 | 172.7 | -21.4 | 34.7 | 0 | 0 | 0 | 112.8 | A887 H888 F1100 V1101 R1102 | A887-P1098 HydrophobicContact CB-CG 4.25Å; A887-P1098 WeakPolarHBondContact O-CB 3.49Å; A887-P1098 WeakPolarHBondContact O-CG 3.05Å; H888-P1098 WeakPolarHBondContact CE1-CA 3.35Å; P1098-F1100 HydrophobicContact CB-CD1 3.93Å; P1098-F1100 HydrophobicContact CB-CE1 3.9Å; P1098-F1100 PolarHBondContact O-N 3.48Å; P1098-F1100 VanDerWaalsContact O-N 3.07Å; P1098-V1101 HydrophobicContact CB-CG2 4.4Å; P1098-V1101 HydrophobicContact CG-CG2 4.42Å; P1098-V1101 WeakPolarHBondContact O-CG2 3.49Å; P1098-V1101 PolarHBondContact O-N 3.47Å; P1098-V1101 VanDerWaalsContact O-N 3.08Å; P1098-R1102 PolarHBondContact O-N 3.01Å | ||
| 1099 | I | 93.9 | Very high | 94.8 | Very high | 91 Ų | 91 | 45.3 Ų | 45.3 | 47% | 0.467 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28.8 | -169.2 | -65.4 | 176.4 | 0 | 0 | 0 | 113.7 | S1105 F1107 | I1099-S1105 VanDerWaalsContact CG2-OG 3.24Å; I1099-S1105 WeakPolarHBondContact CG2-OG 3.41Å; I1099-S1105 WeakPolarHBondContact O-CB 3.49Å; I1099-S1105 PolarHBondContact O-OG 2.96Å; I1099-F1107 HydrophobicContact CG2-CD2 3.87Å |
| 1100 | F | 94.9 | Very high | 95 | Very high | 22 Ų | 22 | 41.9 Ų | 41.9 | 10% | 0.096 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -16.5 | -178.5 | 80.3 | -85.1 | 0 | 0 | 0 | 114.7 | L892 M893 C896 F897 P1098 W1210 | L892-F1100 HydrophobicContact CG-CE1 4.39Å; L892-F1100 HydrophobicContact CG-CZ 4.14Å; M893-F1100 HydrophobicContact CB-CB 4.47Å; M893-F1100 HydrophobicContact CB-CD1 3.72Å; M893-F1100 HydrophobicContact CB-CD2 4.33Å; M893-F1100 HydrophobicContact CB-CE1 3.94Å; M893-F1100 HydrophobicContact CB-CG 3.93Å; M893-F1100 HydrophobicContact CB-CZ 4.34Å; M893-F1100 HydrophobicContact CG-CB 3.77Å; M893-F1100 HydrophobicContact CG-CD1 3.98Å; M893-F1100 HydrophobicContact CG-CD2 4.06Å; M893-F1100 HydrophobicContact CG-CG 3.68Å; M893-F1100 HydrophobicContact SD-CB 3.74Å; M893-F1100 HydrophobicContact SD-CD1 4.5Å; M893-F1100 HydrophobicContact SD-CG 4.25Å; C896-F1100 HydrophobicContact CB-CE2 3.94Å; F897-F1100 HydrophobicContact CE1-CD2 4Å; F897-F1100 HydrophobicContact CZ-CB 4.36Å; F897-F1100 HydrophobicContact CZ-CD2 4.49Å; P1098-F1100 HydrophobicContact CB-CD1 3.93Å; P1098-F1100 HydrophobicContact CB-CE1 3.9Å; P1098-F1100 PolarHBondContact O-N 3.48Å; P1098-F1100 VanDerWaalsContact O-N 3.07Å; F1100-W1210 HydrophobicContact CD2-CE3 4.34Å; F1100-W1210 HydrophobicContact CD2-CH2 4.08Å; F1100-W1210 AromaticContact CD2-CZ3 3.82Å; F1100-W1210 HydrophobicContact CD2-CZ3 3.82Å; F1100-W1210 HydrophobicContact CE2-CE3 4.06Å; F1100-W1210 HydrophobicContact CE2-CH2 4.49Å; F1100-W1210 HydrophobicContact CE2-CZ3 4.01Å |
| 1101 | V | 96.6 | Very high | 95 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 0 | 176.9 | -53.3 | 0 | 0 | 0 | 0 | 113.2 | L1097 P1098 V1146 L1208 W1210 W1230 | L1097-V1101 HydrophobicContact CB-CG2 3.96Å; L1097-V1101 HydrophobicContact CD1-CG2 4.41Å; P1098-V1101 HydrophobicContact CB-CG2 4.4Å; P1098-V1101 HydrophobicContact CG-CG2 4.42Å; P1098-V1101 WeakPolarHBondContact O-CG2 3.49Å; P1098-V1101 PolarHBondContact O-N 3.47Å; P1098-V1101 VanDerWaalsContact O-N 3.08Å; V1101-V1146 HydrophobicContact CB-CG1 4.31Å; V1101-V1146 HydrophobicContact CB-CG2 3.83Å; V1101-V1146 HydrophobicContact CG1-CG2 4.2Å; V1101-L1208 HydrophobicContact CG2-CD1 4.31Å; V1101-W1210 HydrophobicContact CG1-CE3 3.92Å; V1101-W1210 HydrophobicContact CG1-CZ3 3.9Å; V1101-W1230 WeakPolarHBondContact O-CZ2 3.27Å; V1101-W1230 PolarHBondContact O-NE1 3.39Å |
| 1102 | R | 96 | Very high | 95 | Very high | 74 Ų | 74 | 42.7 Ų | 42.7 | 28% | 0.279 | 23% | 0.227 | S | C | . | . | trans | -69.5 | 140.5 | 178.8 | -76.8 | 178.2 | -169.7 | -179.4 | 2.1 | 111.9 | T1095 L1097 P1098 V1104 | T1095-R1102 VanDerWaalsContact O-CZ 3.25Å; T1095-R1102 PolarHBondContact O-NE 3.47Å; T1095-R1102 PolarHBondContact O-NH2 2.84Å; L1097-R1102 HydrophobicContact CB-CG 4.2Å; L1097-R1102 PolarHBondContact O-NE 2.57Å; L1097-R1102 PolarHBondContact O-NH2 3.44Å; P1098-R1102 PolarHBondContact O-N 3.01Å; R1102-V1104 VanDerWaalsContact C-N 3.28Å; R1102-V1104 WeakPolarHBondContact CB-O 3.26Å; R1102-V1104 PolarHBondContact O-N 3.03Å | ||
| 1103 | V | 95.2 | Very high | 95 | Very high | 22 Ų | 22 | 36.7 Ų | 36.7 | 13% | 0.133 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -47.3 | -51.2 | 169 | -171.9 | 0 | 0 | 0 | 0 | 111 | N1108 N1121 V1123 W1230 | V1103-N1108 PolarHBondContact O-ND2 2.92Å; V1103-N1121 WeakPolarHBondContact CG1-O 3.44Å; V1103-V1123 HydrophobicContact CG1-CG2 4.44Å; V1103-V1123 HydrophobicContact CG2-CG2 3.56Å; V1103-W1230 HydrophobicContact CG2-CD2 3.63Å; V1103-W1230 HydrophobicContact CG2-CE3 4.12Å; V1103-W1230 HydrophobicContact CG2-CG 3.85Å; V1103-W1230 HydrophobicContact CG2-CZ2 4.2Å |
| 1104 | V | 94.4 | Very high | 94.7 | Very high | 107 Ų | 107 | 38.4 Ų | 38.4 | 65% | 0.648 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -117.3 | 125.9 | 177.6 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | R1102 S1111 | R1102-V1104 VanDerWaalsContact C-N 3.28Å; R1102-V1104 WeakPolarHBondContact CB-O 3.26Å; R1102-V1104 PolarHBondContact O-N 3.03Å; V1104-S1111 WeakPolarHBondContact CA-OG 3.25Å |
| 1105 | S | 93.5 | Very high | 94.5 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | trans | -161.6 | 140.2 | -176.3 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | I1099 F1107 N1108 S1111 | I1099-S1105 VanDerWaalsContact CG2-OG 3.24Å; I1099-S1105 WeakPolarHBondContact CG2-OG 3.41Å; I1099-S1105 WeakPolarHBondContact O-CB 3.49Å; I1099-S1105 PolarHBondContact O-OG 2.96Å; S1105-F1107 PolarHBondContact O-N 3.37Å; S1105-F1107 VanDerWaalsContact O-N 3.12Å; S1105-F1107 PolarHBondContact OG-N 2.93Å; S1105-N1108 PolarHBondContact O-N 2.87Å; S1105-S1111 PolarHBondContact N-OG 3.26Å; S1105-S1111 WeakPolarHBondContact O-CB 3.45Å; S1105-S1111 PolarHBondContact O-OG 3.3Å | ||
| 1106 | A | 90 | Very high | 94.4 | Very high | 72 Ų | 72 | 40.3 Ų | 40.3 | 60% | 0.595 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | H1112 | A1106-H1112 PolarHBondContact O-NE2 2.96Š|
| 1107 | F | 88.3 | Confident | 94.3 | Very high | 138 Ų | 138 | 37.8 Ų | 37.8 | 61% | 0.605 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -0.6 | 177.7 | -61.7 | -80.4 | 0 | 0 | 0 | 113.9 | I1099 S1105 | I1099-F1107 HydrophobicContact CG2-CD2 3.87Å; S1105-F1107 PolarHBondContact O-N 3.37Å; S1105-F1107 VanDerWaalsContact O-N 3.12Å; S1105-F1107 PolarHBondContact OG-N 2.93Å |
| 1108 | N | 95.3 | Very high | 94.1 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.027 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -95.5 | 112.3 | 173 | 175.5 | 4.4 | 0 | 0 | 0 | 109 | V1103 S1105 L1110 S1111 H1112 G1233 | V1103-N1108 PolarHBondContact O-ND2 2.92Å; S1105-N1108 PolarHBondContact O-N 2.87Å; N1108-L1110 PolarHBondContact O-N 3.41Å; N1108-L1110 VanDerWaalsContact O-N 3.14Å; N1108-L1110 WeakPolarHBondContact OD1-CB 3.21Å; N1108-L1110 PolarHBondContact OD1-N 3.05Å; N1108-S1111 VanDerWaalsContact O-CB 3.28Å; N1108-S1111 WeakPolarHBondContact O-CB 3.35Å; N1108-S1111 PolarHBondContact O-N 3.46Å; N1108-H1112 PolarHBondContact O-CD2 3.3Å; N1108-G1233 CarbonylContact C-O 3.48Å; N1108-G1233 WeakPolarHBondContact CA-O 3.41Å; N1108-G1233 PolarHBondContact OD1-N 2.88Å |
| 1109 | M | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -51.1 | -38.3 | 177.3 | -65.8 | 167.2 | 165.8 | 0 | 0 | 112.6 | S1111 H1112 F1143 G1233 C1234 M1235 Q1239 Y1240 L1264 L1268 L1279 | M1109-S1111 PolarHBondContact O-N 3.16Å; M1109-S1111 VanDerWaalsContact O-N 3.15Å; M1109-H1112 WeakPolarHBondContact O-CB 3.35Å; M1109-H1112 PolarHBondContact O-N 3.23Å; M1109-F1143 HydrophobicContact CB-CE1 4.25Å; M1109-F1143 HydrophobicContact SD-CE1 4.41Å; M1109-G1233 WeakPolarHBondContact CG-O 3.45Å; M1109-G1233 PolarHBondContact N-O 3.2Å; M1109-C1234 WeakPolarHBondContact CE-O 3.37Å; M1109-M1235 HydrophobicContact CE-SD 3.96Å; M1109-M1235 HydrophobicContact CG-CE 3.66Å; M1109-M1235 HydrophobicContact CG-SD 4.02Å; M1109-Q1239 HydrophobicContact SD-CG 4.18Å; M1109-Y1240 HydrophobicContact CE-CD2 4.12Å; M1109-Y1240 HydrophobicContact CE-CG 4.48Å; M1109-L1264 HydrophobicContact CB-CD1 4.46Å; M1109-L1264 HydrophobicContact CB-CD2 4.46Å; M1109-L1264 WeakPolarHBondContact O-CD1 3.47Å; M1109-L1268 HydrophobicContact CB-CD2 4.32Å; M1109-L1268 HydrophobicContact CG-CD1 4.21Å; M1109-L1268 HydrophobicContact CG-CD2 4.16Å; M1109-L1279 HydrophobicContact CE-CD1 3.75Å; M1109-L1279 HydrophobicContact CE-CD2 4.25Å |
| 1110 | L | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -67.2 | -15.5 | -178.7 | -60.9 | 173 | 0 | 0 | 0 | 113.5 | N1108 H1112 L1120 N1121 F1143 N1231 V1259 | N1108-L1110 PolarHBondContact O-N 3.41Å; N1108-L1110 VanDerWaalsContact O-N 3.14Å; N1108-L1110 WeakPolarHBondContact OD1-CB 3.21Å; N1108-L1110 PolarHBondContact OD1-N 3.05Å; L1110-H1112 VanDerWaalsContact C-N 3.31Å; L1110-L1120 HydrophobicContact CD1-CB 4.37Å; L1110-N1121 HydrophobicContact CB-CB 4.11Å; L1110-N1121 PolarHBondContact O-ND2 3.18Å; L1110-F1143 HydrophobicContact CD1-CB 4.33Å; L1110-F1143 HydrophobicContact CD1-CD1 3.66Å; L1110-F1143 HydrophobicContact CD1-CE1 4.28Å; L1110-F1143 HydrophobicContact CD1-CG 4.09Å; L1110-F1143 HydrophobicContact CD2-CD1 3.66Å; L1110-F1143 HydrophobicContact CD2-CD2 4.37Å; L1110-F1143 HydrophobicContact CD2-CE1 3.48Å; L1110-F1143 VanDerWaalsContact CD2-CE1 3.48Å; L1110-F1143 HydrophobicContact CD2-CE2 4.23Å; L1110-F1143 HydrophobicContact CD2-CG 4.12Å; L1110-F1143 HydrophobicContact CD2-CZ 3.8Å; L1110-F1143 HydrophobicContact CG-CD1 3.56Å; L1110-F1143 HydrophobicContact CG-CE1 3.65Å; L1110-F1143 HydrophobicContact CG-CG 4.31Å; L1110-F1143 HydrophobicContact CG-CZ 4.46Å; L1110-N1231 HydrophobicContact CD1-CB 3.55Å; L1110-V1259 HydrophobicContact CD2-CG1 4.14Å; L1110-V1259 HydrophobicContact CD2-CG2 3.84Å |
| 1111 | S | 95.6 | Very high | 94 | Very high | 32 Ų | 32 | 38.4 Ų | 38.4 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -74.9 | -20.1 | 170.1 | -58.3 | 0 | 0 | 0 | 0 | 112.9 | V1104 S1105 N1108 M1109 | V1104-S1111 WeakPolarHBondContact CA-OG 3.25Å; S1105-S1111 PolarHBondContact N-OG 3.26Å; S1105-S1111 WeakPolarHBondContact O-CB 3.45Å; S1105-S1111 PolarHBondContact O-OG 3.3Å; N1108-S1111 VanDerWaalsContact O-CB 3.28Å; N1108-S1111 WeakPolarHBondContact O-CB 3.35Å; N1108-S1111 PolarHBondContact O-N 3.46Å; M1109-S1111 PolarHBondContact O-N 3.16Å; M1109-S1111 VanDerWaalsContact O-N 3.15Å |
| 1112 | H | 95.4 | Very high | 94 | Very high | 27 Ų | 27 | 38.9 Ų | 38.9 | 13% | 0.125 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -90.9 | 1.2 | 179.6 | -63.1 | -91.3 | 0 | 0 | 0 | 113.4 | A1106 N1108 M1109 L1110 G1114 L1264 Q1267 L1268 I1272 | A1106-H1112 PolarHBondContact O-NE2 2.96Å; N1108-H1112 PolarHBondContact O-CD2 3.3Å; M1109-H1112 WeakPolarHBondContact O-CB 3.35Å; M1109-H1112 PolarHBondContact O-N 3.23Å; L1110-H1112 VanDerWaalsContact C-N 3.31Å; H1112-G1114 PolarHBondContact O-N 3.08Å; H1112-L1264 HydrophobicContact CB-CD1 4.24Å; H1112-Q1267 HydrophobicContact CB-CB 4.44Å; H1112-Q1267 WeakPolarHBondContact O-CB 3.48Å; H1112-Q1267 WeakPolarHBondContact O-CG 3.15Å; H1112-L1268 HydrophobicContact CB-CD2 4Å; H1112-I1272 WeakPolarHBondContact NE2-CD1 3.18Å |
| 1113 | V | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -64.5 | -25.1 | 172.1 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | Y1115 L1117 P1260 H1263 L1264 | V1113-Y1115 VanDerWaalsContact C-N 3.3Å; V1113-Y1115 HydrophobicContact CG1-CD1 3.81Å; V1113-Y1115 HydrophobicContact CG1-CE1 3.49Å; V1113-Y1115 VanDerWaalsContact CG1-CE1 3.49Å; V1113-Y1115 HydrophobicContact CG1-CE2 4.28Å; V1113-Y1115 HydrophobicContact CG1-CG 4.32Å; V1113-Y1115 VanDerWaalsContact O-CD1 3.29Å; V1113-Y1115 WeakPolarHBondContact O-CD1 3.2Å; V1113-Y1115 PolarHBondContact O-N 2.95Å; V1113-L1117 HydrophobicContact CB-CD1 4.49Å; V1113-L1117 HydrophobicContact CG1-CD1 4.02Å; V1113-L1117 HydrophobicContact CG1-CD2 4.46Å; V1113-L1117 HydrophobicContact CG1-CG 4.09Å; V1113-L1117 HydrophobicContact CG2-CD1 4.04Å; V1113-P1260 HydrophobicContact CG1-CG 4.28Å; V1113-H1263 PolarHBondContact O-NE2 3.45Å; V1113-L1264 HydrophobicContact CG2-CD1 4.04Å |
| 1114 | G | 90.2 | Very high | 94.2 | Very high | 51 Ų | 51 | 35.5 Ų | 35.5 | 53% | 0.526 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 88.3 | -22.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | H1112 | H1112-G1114 PolarHBondContact O-N 3.08Š|
| 1115 | Y | 93.1 | Very high | 94.4 | Very high | 33 Ų | 33 | 30.4 Ų | 30.4 | 13% | 0.129 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -139.6 | 166.1 | -176.7 | 66.2 | -90.7 | 0 | 0 | 0 | 113.2 | V1113 L1117 N1121 I1318 A1319 | V1113-Y1115 VanDerWaalsContact C-N 3.3Å; V1113-Y1115 HydrophobicContact CG1-CD1 3.81Å; V1113-Y1115 HydrophobicContact CG1-CE1 3.49Å; V1113-Y1115 VanDerWaalsContact CG1-CE1 3.49Å; V1113-Y1115 HydrophobicContact CG1-CE2 4.28Å; V1113-Y1115 HydrophobicContact CG1-CG 4.32Å; V1113-Y1115 VanDerWaalsContact O-CD1 3.29Å; V1113-Y1115 WeakPolarHBondContact O-CD1 3.2Å; V1113-Y1115 PolarHBondContact O-N 2.95Å; Y1115-L1117 HydrophobicContact CD2-CD2 4.39Å; Y1115-L1117 HydrophobicContact CE2-CD2 3.62Å; Y1115-L1117 HydrophobicContact CE2-CG 4.46Å; Y1115-L1117 PolarHBondContact O-N 3.21Å; Y1115-N1121 PolarHBondContact O-ND2 3.2Å; Y1115-I1318 HydrophobicContact CD1-CB 4.36Å; Y1115-I1318 HydrophobicContact CD1-CG2 4.31Å; Y1115-I1318 HydrophobicContact CD2-CB 4.26Å; Y1115-I1318 HydrophobicContact CD2-CG2 3.72Å; Y1115-I1318 HydrophobicContact CE1-CB 4.18Å; Y1115-I1318 HydrophobicContact CE2-CB 4.05Å; Y1115-I1318 HydrophobicContact CE2-CG2 3.97Å; Y1115-I1318 HydrophobicContact CG-CB 4.4Å; Y1115-I1318 HydrophobicContact CG-CG2 3.89Å; Y1115-A1319 HydrophobicContact CE1-CB 4.25Å; Y1115-A1319 WeakPolarHBondContact OH-CB 3.49Å; Y1115-A1319 PolarHBondContact OH-N 2.85Å; Y1115-A1319 VanDerWaalsContact OH-N 3.17Å |
| 1116 | P | 92.8 | Very high | 94.6 | Very high | 87 Ų | 87 | 31.6 Ų | 31.6 | 57% | 0.565 | 19% | 0.187 | S | C | * | . | trans | -67.6 | 120.5 | -178.9 | -22.6 | 35.4 | 0 | 0 | 0 | 114.2 | L1118 N1121 T1122 | P1116-L1118 HydrophobicContact CB-CD2 4.31Å; P1116-N1121 WeakPolarHBondContact CA-OD1 3.41Å; P1116-T1122 HydrophobicContact CB-CG2 3.86Å | ||
| 1117 | L | 94.3 | Very high | 95 | Very high | 13 Ų | 13 | 28.1 Ų | 28.1 | 7% | 0.068 | 16% | 0.159 | C | C | . | . | trans | -101.7 | 101.4 | 162.5 | -63.6 | -178.3 | 0 | 0 | 0 | 107.7 | V1113 Y1115 G1119 L1120 N1121 V1259 | V1113-L1117 HydrophobicContact CB-CD1 4.49Å; V1113-L1117 HydrophobicContact CG1-CD1 4.02Å; V1113-L1117 HydrophobicContact CG1-CD2 4.46Å; V1113-L1117 HydrophobicContact CG1-CG 4.09Å; V1113-L1117 HydrophobicContact CG2-CD1 4.04Å; Y1115-L1117 HydrophobicContact CD2-CD2 4.39Å; Y1115-L1117 HydrophobicContact CE2-CD2 3.62Å; Y1115-L1117 HydrophobicContact CE2-CG 4.46Å; Y1115-L1117 PolarHBondContact O-N 3.21Å; L1117-G1119 PolarHBondContact O-N 2.98Å; L1117-L1120 HydrophobicContact CB-CB 3.87Å; L1117-L1120 HydrophobicContact CB-CD2 4.44Å; L1117-L1120 HydrophobicContact CD1-CD2 4.22Å; L1117-L1120 PolarHBondContact O-N 3.32Å; L1117-N1121 PolarHBondContact N-OD1 3.06Å; L1117-N1121 PolarHBondContact O-N 3.49Å; L1117-N1121 VanDerWaalsContact O-N 3.09Å; L1117-N1121 PolarHBondContact O-OD1 3.45Å; L1117-V1259 HydrophobicContact CD1-CG2 4.28Å | ||
| 1118 | L | 92.7 | Very high | 95.5 | Very high | 97 Ų | 97 | 21.8 Ų | 21.8 | 51% | 0.508 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 118 | -167.7 | -58.3 | -176 | 0 | 0 | 0 | 112.6 | P1116 L1120 T1122 Q1124 | P1116-L1118 HydrophobicContact CB-CD2 4.31Å; L1118-L1120 VanDerWaalsContact C-N 3.31Å; L1118-T1122 WeakPolarHBondContact CA-OG1 3.42Å; L1118-T1122 HydrophobicContact CD2-CG2 4.11Å; L1118-Q1124 PolarHBondContact O-NE2 3Å |
| 1119 | G | 90.2 | Very high | 95.6 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 8% | 0.082 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -13.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L1117 T1122 Q1124 W1230 N1231 | L1117-G1119 PolarHBondContact O-N 2.98Å; G1119-T1122 CarbonylContact C-O 3.56Å; G1119-T1122 VanDerWaalsContact C-O 3.28Å; G1119-T1122 VanDerWaalsContact CA-O 3.22Å; G1119-T1122 WeakPolarHBondContact CA-O 3.32Å; G1119-T1122 PolarHBondContact N-OG1 3.1Å; G1119-Q1124 VanDerWaalsContact CA-CD 3.48Å; G1119-Q1124 VanDerWaalsContact CA-NE2 3.34Å; G1119-W1230 WeakPolarHBondContact O-CA 3.37Å; G1119-N1231 PolarHBondContact O-OD1 3.46Å |
| 1120 | L | 95.5 | Very high | 95.6 | Very high | 6 Ų | 6 | 22.9 Ų | 22.9 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -64.5 | 176.1 | -73.5 | 72.9 | 0 | 0 | 0 | 109.8 | L1110 L1117 L1118 N1140 N1231 V1258 V1259 | L1110-L1120 HydrophobicContact CD1-CB 4.37Å; L1117-L1120 HydrophobicContact CB-CB 3.87Å; L1117-L1120 HydrophobicContact CB-CD2 4.44Å; L1117-L1120 HydrophobicContact CD1-CD2 4.22Å; L1117-L1120 PolarHBondContact O-N 3.32Å; L1118-L1120 VanDerWaalsContact C-N 3.31Å; L1120-N1140 HydrophobicContact CD1-CB 4.48Å; L1120-N1140 HydrophobicContact CD2-CB 3.95Å; L1120-N1140 HydrophobicContact CG-CB 4.4Å; L1120-N1231 WeakPolarHBondContact CA-OD1 3.38Å; L1120-N1231 HydrophobicContact CB-CB 4.3Å; L1120-N1231 WeakPolarHBondContact CG-OD1 3.27Å; L1120-N1231 WeakPolarHBondContact O-CA 3.47Å; L1120-N1231 PolarHBondContact O-N 3.05Å; L1120-V1258 HydrophobicContact CD1-CG1 3.87Å; L1120-V1258 HydrophobicContact CD2-CB 4.32Å; L1120-V1258 HydrophobicContact CD2-CG1 3.86Å; L1120-V1259 HydrophobicContact CD2-CG2 3.5Å |
| 1121 | N | 96 | Very high | 95.6 | Very high | 19 Ų | 19 | 22.9 Ų | 22.9 | 10% | 0.102 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 12.6 | 172.6 | 71.1 | 12.1 | 0 | 0 | 0 | 112.8 | V1103 L1110 Y1115 P1116 L1117 | V1103-N1121 WeakPolarHBondContact CG1-O 3.44Å; L1110-N1121 HydrophobicContact CB-CB 4.11Å; L1110-N1121 PolarHBondContact O-ND2 3.18Å; Y1115-N1121 PolarHBondContact O-ND2 3.2Å; P1116-N1121 WeakPolarHBondContact CA-OD1 3.41Å; L1117-N1121 PolarHBondContact N-OD1 3.06Å; L1117-N1121 PolarHBondContact O-N 3.49Å; L1117-N1121 VanDerWaalsContact O-N 3.09Å; L1117-N1121 PolarHBondContact O-OD1 3.45Å |
| 1122 | T | 97.1 | Very high | 95.7 | Very high | 12 Ų | 12 | 21.4 Ų | 21.4 | 7% | 0.074 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -122 | 156.4 | 164.5 | 81.7 | 0 | 0 | 0 | 0 | 109.6 | D1080 P1116 L1118 G1119 | D1080-T1122 PolarHBondContact OD1-OG1 3.43Å; P1116-T1122 HydrophobicContact CB-CG2 3.86Å; L1118-T1122 WeakPolarHBondContact CA-OG1 3.42Å; L1118-T1122 HydrophobicContact CD2-CG2 4.11Å; G1119-T1122 CarbonylContact C-O 3.56Å; G1119-T1122 VanDerWaalsContact C-O 3.28Å; G1119-T1122 VanDerWaalsContact CA-O 3.22Å; G1119-T1122 WeakPolarHBondContact CA-O 3.32Å; G1119-T1122 PolarHBondContact N-OG1 3.1Å |
| 1123 | V | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | trans | -78.8 | 127.6 | 179.4 | -179.3 | 0 | 0 | 0 | 0 | 110 | L1081 L1091 L1094 V1103 I1228 W1230 | L1081-V1123 HydrophobicContact CB-CB 4.18Å; L1081-V1123 HydrophobicContact CB-CG1 4.45Å; L1081-V1123 WeakPolarHBondContact CB-O 3.2Å; L1081-V1123 HydrophobicContact CD1-CG1 4.03Å; L1081-V1123 PolarHBondContact N-O 3.32Å; L1091-V1123 HydrophobicContact CD2-CB 4.31Å; L1091-V1123 HydrophobicContact CD2-CG2 3.88Å; L1094-V1123 HydrophobicContact CD1-CG1 4.45Å; L1094-V1123 HydrophobicContact CD1-CG2 3.65Å; V1103-V1123 HydrophobicContact CG1-CG2 4.44Å; V1103-V1123 HydrophobicContact CG2-CG2 3.56Å; V1123-I1228 HydrophobicContact CG1-CB 3.91Å; V1123-I1228 HydrophobicContact CG1-CG2 4.17Å; V1123-W1230 HydrophobicContact CB-CE3 4.37Å; V1123-W1230 HydrophobicContact CG1-CE3 4.03Å; V1123-W1230 HydrophobicContact CG1-CZ3 4.33Å; V1123-W1230 HydrophobicContact CG2-CD2 4.41Å; V1123-W1230 HydrophobicContact CG2-CE3 3.81Å; V1123-W1230 HydrophobicContact CG2-CZ3 4.29Å | ||
| 1124 | Q | 96.7 | Very high | 95.9 | Very high | 25 Ų | 25 | 21.7 Ų | 21.7 | 12% | 0.117 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 142.3 | 164.4 | -87.2 | 177.8 | 18.1 | 0 | 0 | 111.6 | N1078 C1079 L1118 G1119 Y1126 I1228 A1229 | N1078-Q1124 PolarHBondContact ND2-OE1 3.47Å; C1079-Q1124 CarbonylContact O-C 3.48Å; C1079-Q1124 WeakPolarHBondContact O-CA 3.48Å; L1118-Q1124 PolarHBondContact O-NE2 3Å; G1119-Q1124 VanDerWaalsContact CA-CD 3.48Å; G1119-Q1124 VanDerWaalsContact CA-NE2 3.34Å; Q1124-Y1126 HydrophobicContact CB-CE2 4.16Å; Q1124-Y1126 PolarHBondContact OE1-OH 3.39Å; Q1124-I1228 CarbonylContact O-C 3.58Å; Q1124-I1228 WeakPolarHBondContact O-CA 3.47Å; Q1124-A1229 PolarHBondContact N-O 3.49Å; Q1124-A1229 PolarHBondContact O-N 3.4Å |
| 1125 | L | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 141 | 177.4 | 167.1 | 74.4 | 0 | 0 | 0 | 110.3 | L923 C1079 L1081 L1127 N1226 I1228 | L923-L1125 HydrophobicContact CD1-CD1 3.99Å; L923-L1125 HydrophobicContact CD1-CD2 3.55Å; L923-L1125 HydrophobicContact CD1-CG 4.42Å; L923-L1125 HydrophobicContact CD2-CD2 4.02Å; L923-L1125 HydrophobicContact CG-CD2 4.37Å; C1079-L1125 HydrophobicContact CB-CB 4.03Å; C1079-L1125 HydrophobicContact CB-CD2 4.24Å; C1079-L1125 HydrophobicContact CB-CG 4.34Å; C1079-L1125 WeakPolarHBondContact CB-O 3.41Å; C1079-L1125 PolarHBondContact N-O 2.96Å; C1079-L1125 PolarHBondContact O-N 3.5Å; L1081-L1125 HydrophobicContact CD1-CB 4.03Å; L1081-L1125 HydrophobicContact CD2-CB 4.25Å; L1081-L1125 HydrophobicContact CD2-CD2 4.26Å; L1081-L1125 HydrophobicContact CG-CB 4.04Å; L1125-L1127 HydrophobicContact CD1-CD2 4.14Å; L1125-L1127 HydrophobicContact CD2-CD2 4.05Å; L1125-L1127 HydrophobicContact CD2-CG 4.28Å; L1125-L1127 HydrophobicContact CG-CD2 4.17Å; L1125-L1127 HydrophobicContact CG-CG 4.29Å; L1125-N1226 HydrophobicContact CD1-CB 4.29Å; L1125-I1228 HydrophobicContact CD1-CG2 4.12Å |
| 1126 | Y | 98.4 | Very high | 96.5 | Very high | 37 Ų | 37 | 19.1 Ų | 19.1 | 15% | 0.145 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 127.2 | 176.6 | -56.9 | -91.3 | 0 | 0 | 0 | 108.5 | F1075 G1076 T1077 Q1124 N1226 N1227 A1229 | F1075-Y1126 HydrophobicContact CE2-CD1 4.09Å; F1075-Y1126 AromaticContact CZ-CD1 3.77Å; F1075-Y1126 HydrophobicContact CZ-CD1 3.77Å; G1076-Y1126 CarbonylContact O-C 3.58Å; G1076-Y1126 WeakPolarHBondContact O-CA 3.48Å; T1077-Y1126 WeakPolarHBondContact OG1-CD1 3.21Å; T1077-Y1126 WeakPolarHBondContact OG1-CE1 3.37Å; Q1124-Y1126 HydrophobicContact CB-CE2 4.16Å; Q1124-Y1126 PolarHBondContact OE1-OH 3.39Å; Y1126-N1226 CarbonylContact O-C 3.59Å; Y1126-N1226 WeakPolarHBondContact O-CA 3.47Å; Y1126-N1227 HydrophobicContact CD2-CB 4.34Å; Y1126-N1227 PolarHBondContact N-O 3.27Å; Y1126-N1227 PolarHBondContact O-N 2.9Å; Y1126-A1229 HydrophobicContact CE2-CB 3.82Å |
| 1127 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 109.7 | -179.4 | -59.7 | 170.7 | 0 | 0 | 0 | 107.8 | L923 V932 Y968 G1076 L1125 N1226 | L923-L1127 HydrophobicContact CD1-CD2 4.09Å; V932-L1127 HydrophobicContact CG2-CD1 4.43Å; Y968-L1127 HydrophobicContact CD1-CB 3.55Å; Y968-L1127 HydrophobicContact CD1-CD1 3.69Å; Y968-L1127 HydrophobicContact CD1-CG 4.25Å; Y968-L1127 HydrophobicContact CE1-CB 3.32Å; Y968-L1127 HydrophobicContact CE1-CD1 4.37Å; Y968-L1127 HydrophobicContact CE1-CG 4.47Å; Y968-L1127 VanDerWaalsContact CE1-O 3.26Å; Y968-L1127 WeakPolarHBondContact CE1-O 3.44Å; Y968-L1127 HydrophobicContact CG-CD1 4.3Å; Y968-L1127 VanDerWaalsContact CZ-O 3.23Å; Y968-L1127 PolarHBondContact OH-O 2.84Å; G1076-L1127 PolarHBondContact N-O 2.95Å; G1076-L1127 VanDerWaalsContact N-O 3.08Å; G1076-L1127 PolarHBondContact O-N 3.35Å; L1125-L1127 HydrophobicContact CD1-CD2 4.14Å; L1125-L1127 HydrophobicContact CD2-CD2 4.05Å; L1125-L1127 HydrophobicContact CD2-CG 4.28Å; L1125-L1127 HydrophobicContact CG-CD2 4.17Å; L1125-L1127 HydrophobicContact CG-CG 4.29Å; L1127-N1226 HydrophobicContact CD2-CB 4.4Å; L1127-N1226 VanDerWaalsContact CD2-CG 3.49Å; L1127-N1226 WeakPolarHBondContact CD2-ND2 3.35Å; L1127-N1226 WeakPolarHBondContact CD2-OD1 3.22Å |
| 1128 | K | 98.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 17.8 Ų | 17.8 | 2% | 0.017 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 147.9 | -165.7 | -53 | -173.2 | -174.3 | 167.8 | 0 | 113.6 | Q972 F1075 C1155 A1221 C1225 N1227 | Q972-K1128 PolarHBondContact NE2-O 2.96Å; F1075-K1128 HydrophobicContact CD2-CG 4.05Å; F1075-K1128 HydrophobicContact CE2-CD 4.27Å; F1075-K1128 HydrophobicContact CE2-CG 3.72Å; K1128-C1155 PolarHBondContact NZ-SG 3.18Å; K1128-A1221 HydrophobicContact CB-CB 3.78Å; K1128-A1221 HydrophobicContact CD-CB 3.81Å; K1128-A1221 HydrophobicContact CG-CB 4.41Å; K1128-C1225 WeakPolarHBondContact CA-O 3.36Å; K1128-C1225 VanDerWaalsContact CB-O 3.28Å; K1128-C1225 WeakPolarHBondContact CB-O 3.34Å; K1128-C1225 PolarHBondContact N-O 3Å; K1128-C1225 PolarHBondContact O-N 3.44Å; K1128-N1227 WeakPolarHBondContact CE-OD1 3.43Å; K1128-N1227 PolarHBondContact NZ-OD1 3.29Å |
| 1129 | V | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | trans | -113.3 | 161.3 | 162.1 | -59.7 | 0 | 0 | 0 | 0 | 108.9 | Y971 Q972 I1073 R1074 G1131 S1132 A1221 | Y971-V1129 HydrophobicContact CE1-CG1 3.84Å; Y971-V1129 HydrophobicContact CE1-CG2 4.42Å; Q972-V1129 HydrophobicContact CG-CG1 4.11Å; I1073-V1129 HydrophobicContact CB-CG2 4.01Å; I1073-V1129 HydrophobicContact CG2-CG2 4.22Å; R1074-V1129 WeakPolarHBondContact O-CG2 3.45Å; V1129-G1131 PolarHBondContact O-N 3.14Å; V1129-S1132 PolarHBondContact N-OG 2.97Å; V1129-S1132 VanDerWaalsContact O-CB 3.27Å; V1129-S1132 WeakPolarHBondContact O-CB 3.48Å; V1129-S1132 PolarHBondContact O-N 2.83Å; V1129-S1132 PolarHBondContact O-OG 3.3Å; V1129-A1221 WeakPolarHBondContact O-CB 3.31Å | ||
| 1130 | P | 97.6 | Very high | 97.6 | Very high | 28 Ų | 28 | 17.5 Ų | 17.5 | 18% | 0.182 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | 135.3 | 173.1 | -29.3 | 35.8 | 0 | 0 | 0 | 112.3 | I1222 W1224 | P1130-I1222 WeakPolarHBondContact CB-O 3.43Å; P1130-W1224 VanDerWaalsContact CD-CD2 3.49Å; P1130-W1224 HydrophobicContact CG-CD2 3.81Å; P1130-W1224 HydrophobicContact CG-CE3 3.81Å; P1130-W1224 HydrophobicContact CG-CH2 3.7Å; P1130-W1224 HydrophobicContact CG-CZ2 3.72Å; P1130-W1224 HydrophobicContact CG-CZ3 3.76Å |
| 1131 | G | 96.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -6.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | I1073 V1129 R1133 A1221 | I1073-G1131 VanDerWaalsContact CD1-O 3.28Å; I1073-G1131 WeakPolarHBondContact CD1-O 3.4Å; V1129-G1131 PolarHBondContact O-N 3.14Å; G1131-R1133 PolarHBondContact O-N 3.43Å; G1131-A1221 PolarHBondContact N-O 3.4Å |
| 1132 | S | 98.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.007 | 9% | 0.086 | C | C | . | . | trans | -63 | 119.2 | 178.9 | -60 | 0 | 0 | 0 | 0 | 111.2 | V1129 Q1220 A1221 | V1129-S1132 PolarHBondContact N-OG 2.97Å; V1129-S1132 VanDerWaalsContact O-CB 3.27Å; V1129-S1132 WeakPolarHBondContact O-CB 3.48Å; V1129-S1132 PolarHBondContact O-N 2.83Å; V1129-S1132 PolarHBondContact O-OG 3.3Å; S1132-Q1220 WeakPolarHBondContact O-CA 3.29Å; S1132-A1221 PolarHBondContact O-N 3.35Å | ||
| 1133 | R | 97.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 15.9 Ų | 15.9 | 1% | 0.011 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 130.3 | -174.5 | -73.6 | 177.7 | 177.3 | -167.7 | -8.5 | 113.6 | Q937 S941 Q944 N945 F1075 G1131 W1185 V1219 Q1220 | Q937-R1133 PolarHBondContact NE2-O 3.25Å; S941-R1133 PolarHBondContact O-NH2 3.01Å; Q944-R1133 VanDerWaalsContact O-CZ 3.28Å; Q944-R1133 PolarHBondContact O-NH1 2.82Å; Q944-R1133 PolarHBondContact O-NH2 3.23Å; N945-R1133 PolarHBondContact OD1-NH1 2.84Å; F1075-R1133 WeakPolarHBondContact CD1-O 3.23Å; F1075-R1133 VanDerWaalsContact CE1-O 3.24Å; F1075-R1133 WeakPolarHBondContact CE1-O 3.26Å; G1131-R1133 PolarHBondContact O-N 3.43Å; R1133-W1185 HydrophobicContact CB-CE3 4.26Å; R1133-W1185 HydrophobicContact CB-CH2 4.36Å; R1133-W1185 HydrophobicContact CB-CZ3 3.74Å; R1133-W1185 HydrophobicContact CG-CE3 4.05Å; R1133-W1185 HydrophobicContact CG-CH2 3.74Å; R1133-W1185 HydrophobicContact CG-CZ2 4.41Å; R1133-W1185 HydrophobicContact CG-CZ3 3.53Å; R1133-V1219 WeakPolarHBondContact CA-O 3.32Å; R1133-Q1220 HydrophobicContact CG-CB 4.32Å; R1133-Q1220 HydrophobicContact CG-CG 4.44Å; R1133-Q1220 VanDerWaalsContact CZ-OE1 3.29Å |
| 1134 | T | 97.5 | Very high | 97.9 | Very high | 30 Ų | 30 | 15.8 Ų | 15.8 | 18% | 0.184 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 115.6 | 151.7 | -57.4 | 0 | 0 | 0 | 0 | 107.4 | W1185 V1219 | T1134-W1185 WeakPolarHBondContact O-CZ3 3.35Å; T1134-V1219 PolarHBondContact N-O 2.76Å; T1134-V1219 PolarHBondContact O-N 2.86Å |
| 1135 | P | 97.4 | Very high | 98 | Very high | 28 Ų | 28 | 14.9 Ų | 14.9 | 18% | 0.182 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 174.4 | -176.7 | 28.7 | -35.3 | 0 | 0 | 0 | 112.9 | H1137 W1184 | P1135-H1137 PolarHBondContact O-N 2.89Å; P1135-H1137 PolarHBondContact O-ND1 3.49Å; P1135-W1184 WeakPolarHBondContact CB-O 3.49Å |
| 1136 | G | 97.8 | Very high | 98 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 2% | 0.021 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 130.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W1184 H1217 | G1136-W1184 VanDerWaalsContact C-CH2 3.5Å; G1136-W1184 PolarHBondContact N-O 2.93Å; G1136-W1184 VanDerWaalsContact O-CZ2 3.23Å; G1136-W1184 WeakPolarHBondContact O-CZ2 3.41Å; G1136-W1184 PolarHBondContact O-NE1 3.37Å; G1136-H1217 WeakPolarHBondContact CA-O 3.49Å |
| 1137 | H | 98.3 | Very high | 98.1 | Very high | 54 Ų | 54 | 13.8 Ų | 13.8 | 25% | 0.25 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 172.2 | 175.4 | 63.8 | -58.1 | 0 | 0 | 0 | 111.2 | P1135 E1139 V1216 H1217 | P1135-H1137 PolarHBondContact O-N 2.89Å; P1135-H1137 PolarHBondContact O-ND1 3.49Å; H1137-E1139 IonicContact NE2-OE1 3.9Å; H1137-V1216 WeakPolarHBondContact O-CA 3.44Å; H1137-H1217 AromaticContact CE1-CD2 3.9Å; H1137-H1217 AromaticContact CE1-CE1 3.51Å; H1137-H1217 AromaticContact CE1-NE2 3.28Å; H1137-H1217 PolarHBondContact CE1-NE2 3.07Å; H1137-H1217 VanDerWaalsContact CE1-NE2 3.28Å; H1137-H1217 PolarHBondContact N-O 3.34Å; H1137-H1217 VanDerWaalsContact N-O 3.13Å; H1137-H1217 PolarHBondContact ND1-O 2.95Å; H1137-H1217 AromaticContact NE2-CE1 3.52Å; H1137-H1217 AromaticContact NE2-NE2 3.6Å; H1137-H1217 PolarHBondContact O-N 3.03Å |
| 1138 | Q | 98.5 | Very high | 98.1 | Very high | 18 Ų | 18 | 14 Ų | 14 | 8% | 0.084 | 8% | 0.077 | C | C | . | . | trans | -110.9 | 158.7 | 154.1 | -72.7 | 168.3 | -52.1 | 0 | 0 | 108 | Y1179 G1214 V1216 R1246 | Q1138-Y1179 VanDerWaalsContact CD-OH 3.28Å; Q1138-Y1179 WeakPolarHBondContact CG-OH 3.37Å; Q1138-Y1179 PolarHBondContact OE1-OH 3.29Å; Q1138-Y1179 VanDerWaalsContact OE1-OH 3.11Å; Q1138-G1214 PolarHBondContact NE2-O 3.07Å; Q1138-V1216 HydrophobicContact CG-CB 4.27Å; Q1138-V1216 HydrophobicContact CG-CG2 3.77Å; Q1138-R1246 VanDerWaalsContact OE1-CZ 3.27Å | ||
| 1139 | E | 98.2 | Very high | 98.1 | Very high | 26 Ų | 26 | 13.8 Ų | 13.8 | 12% | 0.121 | 8% | 0.076 | C | C | . | . | trans | -61.9 | 155.3 | 177.6 | -70.7 | -62.6 | 162.7 | 0 | 0 | 113.7 | H1137 N1141 N1142 F1143 A1145 H1217 N1231 | H1137-E1139 IonicContact NE2-OE1 3.9Å; E1139-N1141 PolarHBondContact O-N 2.71Å; E1139-N1142 PolarHBondContact O-N 3.14Å; E1139-F1143 WeakPolarHBondContact CB-O 3.32Å; E1139-F1143 WeakPolarHBondContact CG-O 3.37Å; E1139-A1145 HydrophobicContact CG-CB 3.86Å; E1139-A1145 WeakPolarHBondContact OE1-CB 3.38Å; E1139-H1217 IonicContact OE1-CE1 3.85Å; E1139-H1217 PolarHBondContact OE1-CE1 3.37Å; E1139-H1217 IonicContact OE1-NE2 2.74Å; E1139-N1231 VanDerWaalsContact CD-ND2 3.27Å; E1139-N1231 PolarHBondContact OE2-ND2 2.98Å | ||
| 1140 | N | 97.8 | Very high | 98.1 | Very high | 72 Ų | 72 | 14.6 Ų | 14.6 | 39% | 0.385 | 8% | 0.08 | S | C | . | . | G | 310 helix | trans | -55.3 | 124.2 | 175.6 | -74.5 | -71.3 | 0 | 0 | 0 | 110.1 | L1120 N1142 F1143 V1258 | L1120-N1140 HydrophobicContact CD1-CB 4.48Å; L1120-N1140 HydrophobicContact CD2-CB 3.95Å; L1120-N1140 HydrophobicContact CG-CB 4.4Å; N1140-N1142 PolarHBondContact O-N 2.91Å; N1140-N1142 VanDerWaalsContact O-N 3.11Å; N1140-F1143 WeakPolarHBondContact O-CD2 3.44Å; N1140-F1143 PolarHBondContact O-N 3.02Å; N1140-V1258 HydrophobicContact CB-CB 4.34Å; N1140-V1258 WeakPolarHBondContact OD1-CG2 3.39Å |
| 1141 | N | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | 48.9 | 33.9 | -174.2 | -68.5 | 91.2 | 0 | 0 | 0 | 113.6 | E1139 F1143 A1243 S1257 V1258 V1259 | E1139-N1141 PolarHBondContact O-N 2.71Å; N1141-F1143 HydrophobicContact CB-CD2 3.79Å; N1141-F1143 HydrophobicContact CB-CE2 3.78Å; N1141-F1143 VanDerWaalsContact O-CD2 3.23Å; N1141-F1143 WeakPolarHBondContact O-CD2 3.47Å; N1141-F1143 PolarHBondContact O-N 2.74Å; N1141-F1143 VanDerWaalsContact O-N 3.08Å; N1141-A1243 WeakPolarHBondContact O-CA 3.41Å; N1141-A1243 WeakPolarHBondContact O-CB 3.49Å; N1141-S1257 PolarHBondContact ND2-OG 2.84Å; N1141-S1257 VanDerWaalsContact ND2-OG 3.12Å; N1141-V1258 PolarHBondContact OD1-N 2.98Å; N1141-V1259 HydrophobicContact CB-CB 4.03Å; N1141-V1259 HydrophobicContact CB-CG2 4.02Å; N1141-V1259 PolarHBondContact OD1-N 3.5Å; N1141-V1259 VanDerWaalsContact OD1-N 3.16Å |
| 1142 | N | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.011 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | 54.5 | 23.7 | 178.7 | -73.9 | -22.8 | 0 | 0 | 0 | 115.4 | E1139 N1140 A1213 G1214 Q1239 L1242 R1246 | E1139-N1142 PolarHBondContact O-N 3.14Å; N1140-N1142 PolarHBondContact O-N 2.91Å; N1140-N1142 VanDerWaalsContact O-N 3.11Å; N1142-A1213 VanDerWaalsContact O-CA 3.26Å; N1142-A1213 WeakPolarHBondContact O-CA 3.04Å; N1142-A1213 WeakPolarHBondContact O-CB 3.49Å; N1142-G1214 PolarHBondContact O-N 3.31Å; N1142-G1214 WeakPolarHBondContact OD1-CA 3.38Å; N1142-Q1239 PolarHBondContact O-NE2 2.92Å; N1142-L1242 HydrophobicContact CB-CB 3.88Å; N1142-L1242 PolarHBondContact ND2-O 2.94Å; N1142-R1246 HydrophobicContact CB-CB 4.46Å; N1142-R1246 PolarHBondContact OD1-NH1 3.03Å |
| 1143 | F | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -64.6 | 153.4 | 174.3 | -80.3 | -98.1 | 0 | 0 | 0 | 111.7 | M1109 L1110 E1139 N1140 N1141 N1231 A1243 V1259 M1261 L1264 | M1109-F1143 HydrophobicContact CB-CE1 4.25Å; M1109-F1143 HydrophobicContact SD-CE1 4.41Å; L1110-F1143 HydrophobicContact CD1-CB 4.33Å; L1110-F1143 HydrophobicContact CD1-CD1 3.66Å; L1110-F1143 HydrophobicContact CD1-CE1 4.28Å; L1110-F1143 HydrophobicContact CD1-CG 4.09Å; L1110-F1143 HydrophobicContact CD2-CD1 3.66Å; L1110-F1143 HydrophobicContact CD2-CD2 4.37Å; L1110-F1143 HydrophobicContact CD2-CE1 3.48Å; L1110-F1143 VanDerWaalsContact CD2-CE1 3.48Å; L1110-F1143 HydrophobicContact CD2-CE2 4.23Å; L1110-F1143 HydrophobicContact CD2-CG 4.12Å; L1110-F1143 HydrophobicContact CD2-CZ 3.8Å; L1110-F1143 HydrophobicContact CG-CD1 3.56Å; L1110-F1143 HydrophobicContact CG-CE1 3.65Å; L1110-F1143 HydrophobicContact CG-CG 4.31Å; L1110-F1143 HydrophobicContact CG-CZ 4.46Å; E1139-F1143 WeakPolarHBondContact CB-O 3.32Å; E1139-F1143 WeakPolarHBondContact CG-O 3.37Å; N1140-F1143 WeakPolarHBondContact O-CD2 3.44Å; N1140-F1143 PolarHBondContact O-N 3.02Å; N1141-F1143 HydrophobicContact CB-CD2 3.79Å; N1141-F1143 HydrophobicContact CB-CE2 3.78Å; N1141-F1143 VanDerWaalsContact O-CD2 3.23Å; N1141-F1143 WeakPolarHBondContact O-CD2 3.47Å; N1141-F1143 PolarHBondContact O-N 2.74Å; N1141-F1143 VanDerWaalsContact O-N 3.08Å; F1143-N1231 HydrophobicContact CB-CB 4.21Å; F1143-A1243 HydrophobicContact CD2-CB 4.39Å; F1143-A1243 HydrophobicContact CE2-CB 3.7Å; F1143-A1243 HydrophobicContact CZ-CB 4.15Å; F1143-V1259 HydrophobicContact CD2-CG2 3.91Å; F1143-V1259 HydrophobicContact CE2-CB 4.01Å; F1143-V1259 HydrophobicContact CE2-CG1 3.87Å; F1143-V1259 HydrophobicContact CE2-CG2 3.7Å; F1143-V1259 HydrophobicContact CZ-CG1 3.98Å; F1143-V1259 HydrophobicContact CZ-CG2 4.39Å; F1143-M1261 HydrophobicContact CE2-SD 4.17Å; F1143-M1261 HydrophobicContact CZ-SD 4.27Å; F1143-L1264 HydrophobicContact CZ-CD2 4.1Å | ||
| 1144 | C | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 156.3 | 171.5 | -58.4 | 0 | 0 | 0 | 0 | 109.9 | W1210 I1211 A1213 N1231 V1232 C1234 Q1239 | C1144-W1210 HydrophobicContact CB-CH2 3.85Å; C1144-W1210 HydrophobicContact CB-CZ2 3.74Å; C1144-I1211 CarbonylContact C-O 3.51Å; C1144-I1211 WeakPolarHBondContact CA-O 3.42Å; C1144-I1211 VanDerWaalsContact CB-O 3.31Å; C1144-I1211 WeakPolarHBondContact CB-O 3.36Å; C1144-A1213 PolarHBondContact SG-N 3.31Å; C1144-N1231 CarbonylContact O-C 3.5Å; C1144-N1231 WeakPolarHBondContact O-CA 3.48Å; C1144-N1231 WeakPolarHBondContact O-CB 3.49Å; C1144-N1231 PolarHBondContact O-ND2 3.07Å; C1144-N1231 VanDerWaalsContact O-ND2 3.17Å; C1144-V1232 HydrophobicContact CB-CG2 3.9Å; C1144-V1232 WeakPolarHBondContact CB-O 3.39Å; C1144-V1232 PolarHBondContact N-O 2.97Å; C1144-V1232 VanDerWaalsContact N-O 3.07Å; C1144-V1232 PolarHBondContact O-N 2.93Å; C1144-C1234 VanDerWaalsContact SG-SG 3.6Å; C1144-Q1239 PolarHBondContact SG-OE1 3.03Å |
| 1145 | A | 98.5 | Very high | 98.1 | Very high | 6 Ų | 6 | 20.8 Ų | 20.8 | 5% | 0.05 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 148.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1139 I1211 | E1139-A1145 HydrophobicContact CG-CB 3.86Å; E1139-A1145 WeakPolarHBondContact OE1-CB 3.38Å; A1145-I1211 HydrophobicContact CB-CB 4.16Å; A1145-I1211 PolarHBondContact N-O 2.98Å; A1145-I1211 PolarHBondContact O-N 3.14Å |
| 1146 | V | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.7 | 178.2 | 173.4 | 0 | 0 | 0 | 0 | 107.5 | V1101 L1208 W1210 A1229 W1230 V1232 | V1101-V1146 HydrophobicContact CB-CG1 4.31Å; V1101-V1146 HydrophobicContact CB-CG2 3.83Å; V1101-V1146 HydrophobicContact CG1-CG2 4.2Å; V1146-L1208 HydrophobicContact CG1-CD1 3.71Å; V1146-L1208 HydrophobicContact CG1-CD2 4.29Å; V1146-L1208 HydrophobicContact CG1-CG 4.06Å; V1146-W1210 HydrophobicContact CG2-CE3 4.01Å; V1146-W1210 HydrophobicContact CG2-CZ3 4Å; V1146-A1229 WeakPolarHBondContact O-CA 3.2Å; V1146-A1229 VanDerWaalsContact O-CB 3.29Å; V1146-A1229 WeakPolarHBondContact O-CB 3.44Å; V1146-W1230 HydrophobicContact CB-CD2 4.43Å; V1146-W1230 HydrophobicContact CB-CZ2 4.19Å; V1146-W1230 HydrophobicContact CG1-CD2 4.48Å; V1146-W1230 HydrophobicContact CG1-CH2 4.07Å; V1146-W1230 HydrophobicContact CG1-CZ2 3.5Å; V1146-W1230 VanDerWaalsContact CG1-CZ2 3.5Å; V1146-W1230 PolarHBondContact N-O 2.83Å; V1146-W1230 PolarHBondContact O-N 3.24Å; V1146-W1230 VanDerWaalsContact O-N 3.15Å; V1146-V1232 HydrophobicContact CG2-CG1 4.27Å; V1146-V1232 HydrophobicContact CG2-CG2 4.3Å |
| 1147 | N | 98.7 | Very high | 98.2 | Very high | 14 Ų | 14 | 20.5 Ų | 20.5 | 8% | 0.075 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 131.9 | 176.2 | -172.1 | -64.5 | 0 | 0 | 0 | 111.2 | W1157 Q1203 L1208 V1209 N1227 I1228 A1229 | N1147-W1157 HydrophobicContact CB-CH2 3.75Å; N1147-W1157 HydrophobicContact CB-CZ2 3.78Å; N1147-Q1203 PolarHBondContact O-NE2 3.31Å; N1147-Q1203 VanDerWaalsContact O-NE2 3.17Å; N1147-Q1203 PolarHBondContact OD1-NE2 3.32Å; N1147-Q1203 VanDerWaalsContact OD1-NE2 3.16Å; N1147-Q1203 PolarHBondContact OD1-OE1 3.09Å; N1147-L1208 CarbonylContact O-C 3.37Å; N1147-L1208 VanDerWaalsContact O-CA 3.32Å; N1147-L1208 WeakPolarHBondContact O-CA 3.48Å; N1147-V1209 HydrophobicContact CB-CB 4.46Å; N1147-V1209 PolarHBondContact N-O 2.7Å; N1147-V1209 PolarHBondContact O-N 3.18Å; N1147-N1227 PolarHBondContact OD1-ND2 3.23Å; N1147-I1228 WeakPolarHBondContact CA-O 3.43Å; N1147-A1229 HydrophobicContact CB-CB 4.23Å |
| 1148 | I | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.015 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 126 | 174.1 | -55.2 | 177 | 0 | 0 | 0 | 108.9 | L915 L1097 L1208 N1227 I1228 W1230 | L915-I1148 HydrophobicContact CD2-CG2 4.4Å; L1097-I1148 HydrophobicContact CD1-CD1 4.26Å; L1097-I1148 HydrophobicContact CD2-CD1 4.26Å; I1148-L1208 HydrophobicContact CD1-CD1 4.12Å; I1148-L1208 HydrophobicContact CG1-CB 4.19Å; I1148-L1208 HydrophobicContact CG1-CD1 3.93Å; I1148-L1208 HydrophobicContact CG1-CG 4.02Å; I1148-N1227 VanDerWaalsContact O-CA 3.29Å; I1148-N1227 WeakPolarHBondContact O-CA 3.44Å; I1148-I1228 HydrophobicContact CB-CD1 4.44Å; I1148-I1228 HydrophobicContact CB-CG1 3.94Å; I1148-I1228 PolarHBondContact N-O 2.81Å; I1148-I1228 PolarHBondContact O-N 3.31Å; I1148-W1230 HydrophobicContact CD1-CH2 3.99Å |
| 1149 | N | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 122.5 | 170.3 | -177.1 | 6.2 | 0 | 0 | 0 | 109.3 | G1151 G1153 Q1203 G1206 D1207 N1226 | N1149-G1151 WeakPolarHBondContact OD1-CA 3.16Å; N1149-G1151 PolarHBondContact OD1-N 2.99Å; N1149-G1153 PolarHBondContact ND2-O 3.23Å; N1149-G1153 PolarHBondContact OD1-O 2.99Å; N1149-Q1203 HydrophobicContact CB-CG 3.83Å; N1149-Q1203 VanDerWaalsContact N-NE2 3.14Å; N1149-Q1203 PolarHBondContact ND2-O 2.89Å; N1149-G1206 PolarHBondContact O-N 3.42Å; N1149-D1207 PolarHBondContact N-O 3.47Å; N1149-N1226 PolarHBondContact OD1-O 3.11Å |
| 1150 | I | 98.4 | Very high | 98.2 | Very high | 17 Ų | 17 | 15.8 Ų | 15.8 | 9% | 0.087 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -25.6 | 176.8 | -53.2 | -54.5 | 0 | 0 | 0 | 110.8 | L915 F918 N1226 I1228 | L915-I1150 HydrophobicContact CB-CG2 4.22Å; L915-I1150 HydrophobicContact CD2-CD1 4.06Å; L915-I1150 WeakPolarHBondContact O-CG2 3.4Å; F918-I1150 HydrophobicContact CB-CB 4.5Å; F918-I1150 HydrophobicContact CB-CD1 3.65Å; F918-I1150 HydrophobicContact CB-CG1 3.76Å; F918-I1150 HydrophobicContact CB-CG2 3.89Å; F918-I1150 HydrophobicContact CD2-CD1 4.15Å; F918-I1150 HydrophobicContact CG-CD1 3.95Å; I1150-N1226 HydrophobicContact CB-CB 4Å; I1150-N1226 VanDerWaalsContact CB-O 3.26Å; I1150-N1226 WeakPolarHBondContact CB-O 3.37Å; I1150-N1226 HydrophobicContact CG1-CB 4.11Å; I1150-N1226 WeakPolarHBondContact CG1-O 3.33Å; I1150-N1226 HydrophobicContact CG2-CB 4.46Å; I1150-N1226 PolarHBondContact N-O 3.32Å; I1150-I1228 HydrophobicContact CD1-CD1 4.07Å; I1150-I1228 HydrophobicContact CD1-CG1 4.05Å; I1150-I1228 HydrophobicContact CD1-CG2 4.48Å |
| 1151 | G | 96.2 | Very high | 98.2 | Very high | 6 Ų | 6 | 13.1 Ų | 13.1 | 6% | 0.062 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.9 | -166.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N1149 C1225 N1226 | N1149-G1151 WeakPolarHBondContact OD1-CA 3.16Å; N1149-G1151 PolarHBondContact OD1-N 2.99Å; G1151-C1225 WeakPolarHBondContact O-CA 3.47Å; G1151-N1226 PolarHBondContact O-N 3.33Å |
| 1152 | P | 96.8 | Very high | 98.2 | Very high | 120 Ų | 120 | 13.8 Ų | 13.8 | 78% | 0.779 | 9% | 0.085 | S | C | * | . | E | Extended strand (participates in β ladder) | cis | -74.5 | -20.3 | 2.9 | 30.4 | -36.6 | 0 | 0 | 0 | 114.8 | P1205 W1224 | P1152-P1205 WeakPolarHBondContact O-CG 3.47Å; P1152-W1224 VanDerWaalsContact CD-O 3.32Å; P1152-W1224 WeakPolarHBondContact CD-O 3.35Å |
| 1153 | G | 96.9 | Very high | 98 | Very high | 13 Ų | 13 | 18 Ų | 18 | 13% | 0.134 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -80.4 | 166.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | N1149 W1224 C1225 | N1149-G1153 PolarHBondContact ND2-O 3.23Å; N1149-G1153 PolarHBondContact OD1-O 2.99Å; G1153-W1224 WeakPolarHBondContact CA-O 3.2Å; G1153-W1224 PolarHBondContact N-O 3.47Å; G1153-C1225 VanDerWaalsContact O-CB 3.29Å; G1153-C1225 WeakPolarHBondContact O-CB 3.43Å |
| 1154 | D | 98.4 | Very high | 98 | Very high | 54 Ų | 54 | 18.9 Ų | 18.9 | 29% | 0.289 | 11% | 0.108 | S | C | . | . | trans | -88.7 | 156.4 | 177.6 | -74.9 | -14.3 | 0 | 0 | 0 | 113 | I1202 R1204 P1205 I1222 G1223 | D1154-I1202 HydrophobicContact CB-CG2 3.71Å; D1154-I1202 WeakPolarHBondContact OD2-CG2 3.4Å; D1154-R1204 VanDerWaalsContact OD1-CA 3.29Å; D1154-R1204 WeakPolarHBondContact OD1-CA 3.36Å; D1154-P1205 WeakPolarHBondContact OD1-CD 3.29Å; D1154-I1222 HydrophobicContact CB-CB 4.32Å; D1154-I1222 PolarHBondContact O-N 3.41Å; D1154-G1223 PolarHBondContact O-N 3.34Å | ||
| 1155 | C | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 136.7 | 163.7 | -76.6 | 0 | 0 | 0 | 0 | 110.4 | K1128 I1202 Q1203 V1219 Q1220 C1225 N1227 | K1128-C1155 PolarHBondContact NZ-SG 3.18Å; C1155-I1202 CarbonylContact O-C 3.41Å; C1155-I1202 WeakPolarHBondContact O-CA 3.33Å; C1155-Q1203 HydrophobicContact CB-CB 4.47Å; C1155-Q1203 PolarHBondContact N-O 1.8Å; C1155-Q1203 VanDerWaalsContact N-O 3.08Å; C1155-Q1203 PolarHBondContact O-N 3.35Å; C1155-V1219 HydrophobicContact CB-CG1 4.2Å; C1155-Q1220 CarbonylContact C-O 3.58Å; C1155-Q1220 WeakPolarHBondContact CA-O 3.3Å; C1155-C1225 VanDerWaalsContact SG-SG 3.65Å; C1155-N1227 PolarHBondContact SG-OD1 2.65Å; C1155-N1227 VanDerWaalsContact SG-OD1 3.35Å |
| 1156 | E | 98.5 | Very high | 97.9 | Very high | 18 Ų | 18 | 19.5 Ų | 19.5 | 8% | 0.084 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 135.5 | 166.5 | -176.1 | 159.9 | -130.2 | 0 | 0 | 110.1 | P942 F1158 R1200 F1201 I1202 V1219 Q1220 I1222 | P942-E1156 WeakPolarHBondContact CB-OE2 3.5Å; P942-E1156 VanDerWaalsContact CG-OE2 3.26Å; P942-E1156 WeakPolarHBondContact CG-OE2 3.22Å; E1156-F1158 HydrophobicContact CG-CE2 3.95Å; E1156-F1158 HydrophobicContact CG-CZ 3.97Å; E1156-R1200 VanDerWaalsContact CD-NH2 3.35Å; E1156-R1200 IonicContact OE1-CZ 3.15Å; E1156-R1200 IonicContact OE1-NE 2.82Å; E1156-R1200 PolarHBondContact OE1-NE 2.96Å; E1156-R1200 IonicContact OE1-NH2 3.6Å; E1156-R1200 PolarHBondContact OE1-NH2 3.37Å; E1156-R1200 IonicContact OE2-CZ 2.74Å; E1156-R1200 IonicContact OE2-NE 3.72Å; E1156-R1200 IonicContact OE2-NH2 2.83Å; E1156-R1200 PolarHBondContact OE2-NH2 3.29Å; E1156-F1201 WeakPolarHBondContact CA-O 3.41Å; E1156-I1202 HydrophobicContact CB-CD1 3.7Å; E1156-I1202 HydrophobicContact CG-CD1 3.89Å; E1156-V1219 WeakPolarHBondContact O-CA 3.44Å; E1156-V1219 WeakPolarHBondContact O-CG1 3.5Å; E1156-Q1220 PolarHBondContact N-O 2.73Å; E1156-Q1220 PolarHBondContact O-N 3.43Å; E1156-I1222 HydrophobicContact CB-CD1 3.78Å; E1156-I1222 HydrophobicContact CB-CG1 3.91Å |
| 1157 | W | 98.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 20.3 Ų | 20.3 | 2% | 0.023 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 145.2 | -177 | -73.8 | 73.5 | 0 | 0 | 0 | 110.7 | N1147 R1200 F1201 V1209 I1211 H1217 V1219 | N1147-W1157 HydrophobicContact CB-CH2 3.75Å; N1147-W1157 HydrophobicContact CB-CZ2 3.78Å; W1157-R1200 WeakPolarHBondContact O-CA 3.47Å; W1157-F1201 HydrophobicContact CB-CD1 4.05Å; W1157-F1201 HydrophobicContact CB-CD2 3.88Å; W1157-F1201 HydrophobicContact CB-CE1 3.59Å; W1157-F1201 HydrophobicContact CB-CE2 3.38Å; W1157-F1201 HydrophobicContact CB-CG 4.2Å; W1157-F1201 HydrophobicContact CB-CZ 3.24Å; W1157-F1201 AromaticContact CD1-CE2 3.78Å; W1157-F1201 HydrophobicContact CD2-CE2 4.18Å; W1157-F1201 HydrophobicContact CD2-CZ 4.04Å; W1157-F1201 HydrophobicContact CE3-CZ 4.31Å; W1157-F1201 HydrophobicContact CG-CD2 4.28Å; W1157-F1201 HydrophobicContact CG-CE1 4.43Å; W1157-F1201 AromaticContact CG-CE2 3.5Å; W1157-F1201 HydrophobicContact CG-CE2 3.5Å; W1157-F1201 AromaticContact CG-CZ 3.61Å; W1157-F1201 HydrophobicContact CG-CZ 3.61Å; W1157-F1201 PolarHBondContact N-O 2.97Å; W1157-F1201 PolarHBondContact O-N 3.03Å; W1157-V1209 HydrophobicContact CD2-CG1 4.18Å; W1157-V1209 HydrophobicContact CD2-CG2 4.36Å; W1157-V1209 HydrophobicContact CE3-CG1 4Å; W1157-V1209 HydrophobicContact CH2-CB 4.33Å; W1157-V1209 HydrophobicContact CH2-CG1 4.13Å; W1157-V1209 HydrophobicContact CZ2-CB 4.13Å; W1157-V1209 HydrophobicContact CZ2-CG1 4.28Å; W1157-V1209 HydrophobicContact CZ2-CG2 4.21Å; W1157-V1209 HydrophobicContact CZ3-CG1 3.98Å; W1157-I1211 HydrophobicContact CE3-CD1 3.99Å; W1157-I1211 HydrophobicContact CZ3-CD1 3.69Å; W1157-I1211 HydrophobicContact CZ3-CG1 3.88Å; W1157-H1217 AromaticContact CZ3-CD2 3.55Å; W1157-H1217 AromaticContact CZ3-NE2 3.97Å; W1157-V1219 HydrophobicContact CD2-CB 4.4Å; W1157-V1219 HydrophobicContact CD2-CG1 3.95Å; W1157-V1219 HydrophobicContact CD2-CG2 3.59Å; W1157-V1219 HydrophobicContact CE3-CG2 3.41Å; W1157-V1219 VanDerWaalsContact CE3-CG2 3.41Å; W1157-V1219 HydrophobicContact CG-CG1 4.08Å; W1157-V1219 HydrophobicContact CG-CG2 4.28Å; W1157-V1219 HydrophobicContact CH2-CG2 3.89Å; W1157-V1219 HydrophobicContact CZ2-CG1 4.23Å; W1157-V1219 HydrophobicContact CZ2-CG2 4.06Å; W1157-V1219 HydrophobicContact CZ3-CG2 3.56Å |
| 1158 | F | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 137.5 | 171.6 | -56 | -93 | 0 | 0 | 0 | 108.4 | P942 E1156 W1185 L1188 V1198 Y1199 R1200 H1217 W1218 | P942-F1158 HydrophobicContact CB-CE2 3.95Å; P942-F1158 HydrophobicContact CB-CZ 3.78Å; E1156-F1158 HydrophobicContact CG-CE2 3.95Å; E1156-F1158 HydrophobicContact CG-CZ 3.97Å; F1158-W1185 HydrophobicContact CD2-CZ2 4.46Å; F1158-W1185 HydrophobicContact CE2-CZ2 4.17Å; F1158-L1188 HydrophobicContact CD1-CD1 4.39Å; F1158-L1188 HydrophobicContact CD1-CD2 4.12Å; F1158-L1188 HydrophobicContact CE1-CD1 3.86Å; F1158-L1188 HydrophobicContact CE1-CD2 4.38Å; F1158-V1198 HydrophobicContact CB-CG1 4.42Å; F1158-V1198 HydrophobicContact CD1-CG1 4.41Å; F1158-Y1199 CarbonylContact C-O 3.56Å; F1158-Y1199 VanDerWaalsContact CA-O 3.29Å; F1158-Y1199 WeakPolarHBondContact CA-O 3.31Å; F1158-R1200 HydrophobicContact CD1-CB 4.31Å; F1158-R1200 HydrophobicContact CD1-CG 4Å; F1158-R1200 HydrophobicContact CE1-CB 4.45Å; F1158-R1200 HydrophobicContact CE1-CG 3.7Å; F1158-R1200 HydrophobicContact CZ-CG 4.43Å; F1158-H1217 VanDerWaalsContact O-CA 3.26Å; F1158-H1217 WeakPolarHBondContact O-CA 3.41Å; F1158-H1217 VanDerWaalsContact O-CB 3.29Å; F1158-H1217 WeakPolarHBondContact O-CB 3.43Å; F1158-W1218 HydrophobicContact CB-CD2 3.67Å; F1158-W1218 HydrophobicContact CB-CE3 4.35Å; F1158-W1218 HydrophobicContact CB-CG 3.97Å; F1158-W1218 HydrophobicContact CB-CH2 4.25Å; F1158-W1218 HydrophobicContact CB-CZ2 3.6Å; F1158-W1218 AromaticContact CD2-CD1 3.53Å; F1158-W1218 HydrophobicContact CD2-CG 4.34Å; F1158-W1218 AromaticContact CD2-NE1 3.51Å; F1158-W1218 AromaticContact CG-CD1 3.84Å; F1158-W1218 HydrophobicContact CG-CD2 4.48Å; F1158-W1218 AromaticContact CG-CE2 3.8Å; F1158-W1218 HydrophobicContact CG-CG 4.49Å; F1158-W1218 HydrophobicContact CG-CZ2 4.24Å; F1158-W1218 AromaticContact CG-NE1 3.38Å; F1158-W1218 PolarHBondContact N-O 3.03Å; F1158-W1218 PolarHBondContact O-N 3.49Å |
| 1159 | S | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 144.7 | -179.5 | -52.9 | 0 | 0 | 0 | 0 | 112 | Y1199 V1216 | S1159-Y1199 PolarHBondContact N-O 3.2Å; S1159-Y1199 PolarHBondContact O-N 3.33Å; S1159-V1216 CarbonylContact C-O 3.46Å; S1159-V1216 VanDerWaalsContact CA-O 3.32Å; S1159-V1216 WeakPolarHBondContact CA-O 3.27Å |
| 1160 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 135.8 | 178.9 | 177.5 | 0 | 0 | 0 | 0 | 108.5 | Y1164 I1168 I1196 V1198 T1215 V1216 W1218 | V1160-Y1164 HydrophobicContact CG1-CD2 4.49Å; V1160-Y1164 HydrophobicContact CG1-CG 4.26Å; V1160-I1168 HydrophobicContact CB-CD1 3.96Å; V1160-I1168 HydrophobicContact CG1-CD1 3.92Å; V1160-I1168 HydrophobicContact CG2-CD1 4.03Å; V1160-I1196 HydrophobicContact CB-CG2 4.44Å; V1160-I1196 HydrophobicContact CG1-CG2 3.42Å; V1160-I1196 VanDerWaalsContact CG1-CG2 3.42Å; V1160-I1196 HydrophobicContact CG2-CG2 4.13Å; V1160-V1198 HydrophobicContact CG2-CG2 4.04Å; V1160-T1215 WeakPolarHBondContact O-CG2 3.4Å; V1160-V1216 HydrophobicContact CB-CB 4.36Å; V1160-V1216 PolarHBondContact N-O 2.76Å; V1160-V1216 PolarHBondContact O-N 3.32Å; V1160-W1218 HydrophobicContact CG2-CH2 3.76Å; V1160-W1218 HydrophobicContact CG2-CZ3 3.94Å |
| 1161 | P | 97.7 | Very high | 97.4 | Very high | 15 Ų | 15 | 23.9 Ų | 23.9 | 10% | 0.097 | 14% | 0.135 | C | C | . | . | trans | -54.5 | 143.9 | 178.2 | -23.4 | 32.3 | 0 | 0 | 0 | 112.8 | P900 Q1163 Y1164 P1197 Y1199 | P900-P1161 HydrophobicContact CB-CB 4.41Å; P900-P1161 HydrophobicContact CG-CG 4.36Å; P1161-Q1163 PolarHBondContact O-N 3.19Å; P1161-Q1163 VanDerWaalsContact O-N 3.08Å; P1161-Y1164 HydrophobicContact CB-CD2 4.14Å; P1161-Y1164 HydrophobicContact CB-CE2 4.5Å; P1161-Y1164 HydrophobicContact CG-CD2 4.39Å; P1161-Y1164 PolarHBondContact O-N 2.77Å; P1161-P1197 HydrophobicContact CG-CG 4.31Å; P1161-Y1199 HydrophobicContact CG-CE2 3.96Å | ||
| 1162 | E | 97.6 | Very high | 97.3 | Very high | 15 Ų | 15 | 23.6 Ų | 23.6 | 7% | 0.07 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -47 | -41.5 | -178.5 | 176.1 | -85.6 | 132.1 | 0 | 0 | 113 | Y1164 W1165 G1214 R1238 L1242 | E1162-Y1164 PolarHBondContact O-N 3.39Å; E1162-W1165 VanDerWaalsContact O-CB 3.29Å; E1162-W1165 WeakPolarHBondContact O-CB 3.43Å; E1162-W1165 PolarHBondContact O-N 3.43Å; E1162-G1214 WeakPolarHBondContact CA-O 3.44Å; E1162-G1214 VanDerWaalsContact CB-O 3.3Å; E1162-G1214 WeakPolarHBondContact CB-O 3.37Å; E1162-G1214 WeakPolarHBondContact CG-O 3.5Å; E1162-R1238 IonicContact OE1-NH2 3.06Å; E1162-R1238 IonicContact OE2-CZ 2.65Å; E1162-R1238 IonicContact OE2-NH2 3.34Å; E1162-R1238 PolarHBondContact OE2-NH2 3.07Å; E1162-L1242 HydrophobicContact CG-CD1 4.12Å; E1162-L1242 HydrophobicContact CG-CD2 4Å |
| 1163 | Q | 96 | Very high | 96.9 | Very high | 90 Ų | 90 | 19 Ų | 19 | 42% | 0.421 | 10% | 0.099 | S | C | . | . | G | 310 helix | trans | -60.4 | -18.7 | -175.7 | -55.1 | 83.7 | 0.1 | 0 | 0 | 114.4 | P863 P1161 | P863-Q1163 HydrophobicContact CG-CB 3.72Å; P1161-Q1163 PolarHBondContact O-N 3.19Å; P1161-Q1163 VanDerWaalsContact O-N 3.08Å |
| 1164 | Y | 97.7 | Very high | 96.6 | Very high | 20 Ų | 20 | 25.2 Ų | 25.2 | 8% | 0.078 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -93.4 | 3.3 | 177.3 | -65.3 | -99.3 | 0 | 0 | 0 | 113.2 | K862 P863 P867 V1160 P1161 E1162 G1166 A1167 I1168 I1196 P1197 | K862-Y1164 HydrophobicContact CG-CD1 4.05Å; K862-Y1164 HydrophobicContact CG-CE1 3.96Å; P863-Y1164 HydrophobicContact CG-CD2 4.24Å; P863-Y1164 HydrophobicContact CG-CE1 4.22Å; P863-Y1164 HydrophobicContact CG-CE2 3.89Å; P867-Y1164 WeakPolarHBondContact CD-OH 3.48Å; P867-Y1164 WeakPolarHBondContact CG-OH 3.42Å; V1160-Y1164 HydrophobicContact CG1-CD2 4.49Å; V1160-Y1164 HydrophobicContact CG1-CG 4.26Å; P1161-Y1164 HydrophobicContact CB-CD2 4.14Å; P1161-Y1164 HydrophobicContact CB-CE2 4.5Å; P1161-Y1164 HydrophobicContact CG-CD2 4.39Å; P1161-Y1164 PolarHBondContact O-N 2.77Å; E1162-Y1164 PolarHBondContact O-N 3.39Å; Y1164-G1166 PolarHBondContact O-N 2.92Å; Y1164-A1167 WeakPolarHBondContact O-CB 3.31Å; Y1164-A1167 PolarHBondContact O-N 2.79Å; Y1164-I1168 PolarHBondContact O-N 2.89Å; Y1164-I1168 VanDerWaalsContact O-N 3.15Å; Y1164-I1196 HydrophobicContact CD1-CB 4.36Å; Y1164-I1196 HydrophobicContact CD1-CG1 4.13Å; Y1164-I1196 HydrophobicContact CD1-CG2 4.15Å; Y1164-I1196 HydrophobicContact CG-CG2 4.28Å; Y1164-P1197 HydrophobicContact CD2-CG 4.3Å; Y1164-P1197 HydrophobicContact CE1-CG 4.39Å; Y1164-P1197 HydrophobicContact CE2-CG 3.79Å; Y1164-P1197 VanDerWaalsContact CZ-CD 3.46Å |
| 1165 | W | 97.9 | Very high | 96.3 | Very high | 18 Ų | 18 | 25.8 Ų | 25.8 | 7% | 0.068 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.4 | -32.9 | -176.4 | 84.7 | -104.6 | 0 | 0 | 0 | 112.8 | P859 P860 E1162 I1168 H1169 Y1179 V1216 F1249 | P859-W1165 HydrophobicContact CB-CE3 4.37Å; P859-W1165 HydrophobicContact CB-CH2 3.82Å; P859-W1165 HydrophobicContact CB-CZ2 4.37Å; P859-W1165 HydrophobicContact CB-CZ3 3.82Å; P859-W1165 HydrophobicContact CG-CH2 4.08Å; P859-W1165 HydrophobicContact CG-CZ3 4.12Å; P860-W1165 HydrophobicContact CG-CG 4.32Å; E1162-W1165 VanDerWaalsContact O-CB 3.29Å; E1162-W1165 WeakPolarHBondContact O-CB 3.43Å; E1162-W1165 PolarHBondContact O-N 3.43Å; W1165-I1168 PolarHBondContact O-N 3.38Å; W1165-H1169 HydrophobicContact CE3-CB 4.2Å; W1165-H1169 HydrophobicContact CZ3-CB 4.26Å; W1165-H1169 VanDerWaalsContact O-CB 3.31Å; W1165-H1169 WeakPolarHBondContact O-CB 3.34Å; W1165-H1169 PolarHBondContact O-N 2.99Å; W1165-Y1179 HydrophobicContact CE3-CD1 4.21Å; W1165-Y1179 AromaticContact CE3-CE1 3.63Å; W1165-Y1179 HydrophobicContact CE3-CE1 3.63Å; W1165-Y1179 HydrophobicContact CZ3-CD1 4.29Å; W1165-Y1179 HydrophobicContact CZ3-CE1 4.11Å; W1165-V1216 HydrophobicContact CB-CG2 3.67Å; W1165-F1249 AromaticContact CH2-CD1 3.84Å; W1165-F1249 HydrophobicContact CH2-CD1 3.84Å; W1165-F1249 HydrophobicContact CH2-CD2 4.26Å; W1165-F1249 AromaticContact CH2-CE1 3.64Å; W1165-F1249 HydrophobicContact CH2-CE1 3.64Å; W1165-F1249 HydrophobicContact CH2-CE2 4.11Å; W1165-F1249 HydrophobicContact CH2-CG 4.14Å; W1165-F1249 AromaticContact CH2-CZ 3.79Å; W1165-F1249 HydrophobicContact CH2-CZ 3.79Å; W1165-F1249 HydrophobicContact CZ3-CD1 4.35Å; W1165-F1249 AromaticContact CZ3-CE1 3.81Å; W1165-F1249 HydrophobicContact CZ3-CE1 3.81Å; W1165-F1249 HydrophobicContact CZ3-CZ 4.05Å |
| 1166 | G | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.2 | -33.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | P860 Y1164 N1170 | P860-G1166 WeakPolarHBondContact O-CA 3.28Å; Y1164-G1166 PolarHBondContact O-N 2.92Å; G1166-N1170 PolarHBondContact O-N 3.23Å; G1166-N1170 PolarHBondContact O-ND2 3.33Å; G1166-N1170 PolarHBondContact O-OD1 2.87Å |
| 1167 | A | 96.8 | Very high | 95.3 | Very high | 17 Ų | 17 | 31.4 Ų | 31.4 | 14% | 0.14 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.8 | -43.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | Y1164 N1170 L1171 I1196 | Y1164-A1167 WeakPolarHBondContact O-CB 3.31Å; Y1164-A1167 PolarHBondContact O-N 2.79Å; A1167-N1170 PolarHBondContact O-N 3.23Å; A1167-L1171 WeakPolarHBondContact O-CG 3.39Å; A1167-L1171 PolarHBondContact O-N 3.09Å; A1167-I1196 HydrophobicContact CB-CD1 3.82Å; A1167-I1196 HydrophobicContact CB-CG1 4.37Å |
| 1168 | I | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.5 | -41.3 | 176.2 | -60.3 | 179.4 | 0 | 0 | 0 | 111.3 | W954 V1160 Y1164 W1165 N1170 L1171 C1172 Y1179 W1184 L1191 I1196 V1216 | W954-I1168 HydrophobicContact CZ3-CG2 4.19Å; V1160-I1168 HydrophobicContact CB-CD1 3.96Å; V1160-I1168 HydrophobicContact CG1-CD1 3.92Å; V1160-I1168 HydrophobicContact CG2-CD1 4.03Å; Y1164-I1168 PolarHBondContact O-N 2.89Å; Y1164-I1168 VanDerWaalsContact O-N 3.15Å; W1165-I1168 PolarHBondContact O-N 3.38Å; I1168-N1170 VanDerWaalsContact C-N 3.28Å; I1168-N1170 PolarHBondContact O-N 2.99Å; I1168-L1171 WeakPolarHBondContact O-CB 3.48Å; I1168-L1171 PolarHBondContact O-N 3.36Å; I1168-L1171 VanDerWaalsContact O-N 3.11Å; I1168-C1172 PolarHBondContact O-N 3.4Å; I1168-C1172 PolarHBondContact O-SG 2.99Å; I1168-C1172 VanDerWaalsContact O-SG 3.37Å; I1168-Y1179 HydrophobicContact CB-CE2 4.2Å; I1168-Y1179 HydrophobicContact CG2-CD2 4.36Å; I1168-Y1179 HydrophobicContact CG2-CE2 3.82Å; I1168-W1184 HydrophobicContact CG2-CE3 4.37Å; I1168-W1184 HydrophobicContact CG2-CH2 3.63Å; I1168-W1184 HydrophobicContact CG2-CZ3 3.52Å; I1168-L1191 HydrophobicContact CG1-CD2 4.32Å; I1168-I1196 HydrophobicContact CG1-CD1 4.25Å; I1168-V1216 HydrophobicContact CD1-CB 4.19Å; I1168-V1216 HydrophobicContact CD1-CG1 3.91Å; I1168-V1216 HydrophobicContact CD1-CG2 4.35Å |
| 1169 | H | 96.4 | Very high | 94.7 | Very high | 12 Ų | 12 | 32.8 Ų | 32.8 | 6% | 0.056 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -52.8 | -46.7 | 172.2 | 169.1 | -78.8 | 0 | 0 | 0 | 111.8 | P859 W1165 L1171 C1172 E1173 Y1179 F1249 | P859-H1169 HydrophobicContact CB-CB 4.47Å; W1165-H1169 HydrophobicContact CE3-CB 4.2Å; W1165-H1169 HydrophobicContact CZ3-CB 4.26Å; W1165-H1169 VanDerWaalsContact O-CB 3.31Å; W1165-H1169 WeakPolarHBondContact O-CB 3.34Å; W1165-H1169 PolarHBondContact O-N 2.99Å; H1169-L1171 VanDerWaalsContact C-N 3.33Å; H1169-L1171 PolarHBondContact O-N 3.14Å; H1169-C1172 PolarHBondContact O-N 3.46Å; H1169-E1173 WeakPolarHBondContact O-CG 3.38Å; H1169-E1173 PolarHBondContact O-N 3.01Å; H1169-Y1179 VanDerWaalsContact CA-CD2 3.49Å; H1169-Y1179 HydrophobicContact CB-CD1 4.2Å; H1169-Y1179 HydrophobicContact CB-CD2 3.97Å; H1169-Y1179 HydrophobicContact CB-CE2 4.43Å; H1169-Y1179 HydrophobicContact CB-CG 3.85Å; H1169-Y1179 AromaticContact CD2-CD1 3.99Å; H1169-Y1179 AromaticContact CD2-CG 3.89Å; H1169-F1249 AromaticContact NE2-CZ 3.9Å |
| 1170 | N | 94.9 | Very high | 94.5 | Very high | 91 Ų | 91 | 34.8 Ų | 34.8 | 49% | 0.487 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.6 | -33 | 179.4 | -65.8 | -13 | 0 | 0 | 0 | 112.3 | G1166 A1167 I1168 K1174 | G1166-N1170 PolarHBondContact O-N 3.23Å; G1166-N1170 PolarHBondContact O-ND2 3.33Å; G1166-N1170 PolarHBondContact O-OD1 2.87Å; A1167-N1170 PolarHBondContact O-N 3.23Å; I1168-N1170 VanDerWaalsContact C-N 3.28Å; I1168-N1170 PolarHBondContact O-N 2.99Å; N1170-K1174 WeakPolarHBondContact O-CB 3.14Å; N1170-K1174 PolarHBondContact O-N 3.31Å |
| 1171 | L | 96.4 | Very high | 94.1 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.6 | -40.8 | 171.8 | -68.9 | 171 | 0 | 0 | 0 | 112.6 | W954 A1167 I1168 H1169 K1174 N1175 T1190 L1191 E1194 I1196 | W954-L1171 HydrophobicContact CH2-CB 3.55Å; W954-L1171 HydrophobicContact CH2-CD1 3.72Å; W954-L1171 HydrophobicContact CH2-CG 4.26Å; W954-L1171 HydrophobicContact CZ2-CB 3.91Å; W954-L1171 HydrophobicContact CZ2-CD1 3.96Å; W954-L1171 HydrophobicContact CZ2-CG 4.43Å; W954-L1171 HydrophobicContact CZ3-CB 3.92Å; A1167-L1171 WeakPolarHBondContact O-CG 3.39Å; A1167-L1171 PolarHBondContact O-N 3.09Å; I1168-L1171 WeakPolarHBondContact O-CB 3.48Å; I1168-L1171 PolarHBondContact O-N 3.36Å; I1168-L1171 VanDerWaalsContact O-N 3.11Å; H1169-L1171 VanDerWaalsContact C-N 3.33Å; H1169-L1171 PolarHBondContact O-N 3.14Å; L1171-K1174 HydrophobicContact CD2-CD 4.3Å; L1171-K1174 PolarHBondContact O-N 3.3Å; L1171-N1175 PolarHBondContact O-N 3.34Å; L1171-N1175 VanDerWaalsContact O-N 3.1Å; L1171-N1175 PolarHBondContact O-ND2 2.91Å; L1171-T1190 HydrophobicContact CD1-CG2 4.17Å; L1171-T1190 HydrophobicContact CD2-CG2 3.91Å; L1171-L1191 HydrophobicContact CD1-CD2 3.98Å; L1171-E1194 HydrophobicContact CD1-CG 4.21Å; L1171-E1194 HydrophobicContact CD2-CG 4.09Å; L1171-I1196 HydrophobicContact CD1-CD1 3.86Å |
| 1172 | C | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.8 | -48.7 | 175.1 | -67.7 | 0 | 0 | 0 | 0 | 111.3 | I1168 H1169 K1174 N1175 N1176 V1177 Y1179 | I1168-C1172 PolarHBondContact O-N 3.4Å; I1168-C1172 PolarHBondContact O-SG 2.99Å; I1168-C1172 VanDerWaalsContact O-SG 3.37Å; H1169-C1172 PolarHBondContact O-N 3.46Å; C1172-K1174 PolarHBondContact O-N 3Å; C1172-N1175 CarbonylContact O-C 3.59Å; C1172-N1175 WeakPolarHBondContact O-CA 3.35Å; C1172-N1175 PolarHBondContact O-N 2.85Å; C1172-N1176 PolarHBondContact O-N 3.24Å; C1172-N1176 VanDerWaalsContact O-N 3.16Å; C1172-V1177 CarbonylContact C-O 3.6Å; C1172-V1177 WeakPolarHBondContact CB-O 3.33Å; C1172-V1177 PolarHBondContact O-N 2.89Å; C1172-Y1179 HydrophobicContact CB-CD2 4.4Å |
| 1173 | E | 88 | Confident | 93.6 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 10% | 0.103 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.9 | -37.5 | 178 | -66.1 | -91.5 | 144.7 | 0 | 0 | 111.8 | R166 H1169 N1175 N1176 R1253 | R166-E1173 IonicContact CZ-OE2 2.66Å; R166-E1173 IonicContact NE-OE2 2.73Å; R166-E1173 PolarHBondContact NE-OE2 3.46Å; R166-E1173 IonicContact NH2-OE2 2.72Å; R166-E1173 PolarHBondContact NH2-OE2 2.74Å; H1169-E1173 WeakPolarHBondContact O-CG 3.38Å; H1169-E1173 PolarHBondContact O-N 3.01Å; E1173-N1175 PolarHBondContact O-N 3.49Å; E1173-N1176 PolarHBondContact O-N 3.48Å; E1173-R1253 IonicContact OE1-CZ 2.77Å; E1173-R1253 IonicContact OE1-NH2 3.79Å; E1173-R1253 PolarHBondContact OE1-NH2 2.98Å |
| 1174 | K | 91 | Very high | 93.6 | Very high | 145 Ų | 145 | 35.2 Ų | 35.2 | 63% | 0.63 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -61.8 | -24.1 | 172 | 179.6 | 179.5 | 176.5 | -177.5 | 0 | 113.1 | N1170 L1171 C1172 E1194 | N1170-K1174 WeakPolarHBondContact O-CB 3.14Å; N1170-K1174 PolarHBondContact O-N 3.31Å; L1171-K1174 HydrophobicContact CD2-CD 4.3Å; L1171-K1174 PolarHBondContact O-N 3.3Å; C1172-K1174 PolarHBondContact O-N 3Å; K1174-E1194 IonicContact NZ-OE1 2.7Å; K1174-E1194 PolarHBondContact NZ-OE1 3.24Å |
| 1175 | N | 91.4 | Very high | 93.6 | Very high | 66 Ų | 66 | 34.4 Ų | 34.4 | 35% | 0.353 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 11.8 | 174.5 | -74.5 | -91.4 | 0 | 0 | 0 | 113.4 | W954 L1171 C1172 E1173 V1177 | W954-N1175 HydrophobicContact CB-CB 3.76Å; W954-N1175 VanDerWaalsContact CD1-CG 3.48Å; W954-N1175 HydrophobicContact CG-CB 4.01Å; L1171-N1175 PolarHBondContact O-N 3.34Å; L1171-N1175 VanDerWaalsContact O-N 3.1Å; L1171-N1175 PolarHBondContact O-ND2 2.91Å; C1172-N1175 CarbonylContact O-C 3.59Å; C1172-N1175 WeakPolarHBondContact O-CA 3.35Å; C1172-N1175 PolarHBondContact O-N 2.85Å; E1173-N1175 PolarHBondContact O-N 3.49Å; N1175-V1177 PolarHBondContact O-N 3.05Å |
| 1176 | N | 87.3 | Confident | 93.6 | Very high | 127 Ų | 127 | 33.6 Ų | 33.6 | 68% | 0.679 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 37.9 | -177.7 | -62.6 | -61.7 | 0 | 0 | 0 | 115.1 | N162 C1172 E1173 | N162-N1176 PolarHBondContact ND2-OD1 3.46Å; N162-N1176 VanDerWaalsContact ND2-OD1 3.07Å; C1172-N1176 PolarHBondContact O-N 3.24Å; C1172-N1176 VanDerWaalsContact O-N 3.16Å; E1173-N1176 PolarHBondContact O-N 3.48Å |
| 1177 | V | 88.9 | Confident | 93.5 | Very high | 9 Ų | 9 | 35.1 Ų | 35.1 | 6% | 0.055 | 19% | 0.192 | C | C | . | . | trans | -121.2 | 127.9 | 170.5 | -171.6 | 0 | 0 | 0 | 0 | 109.7 | L955 C1172 N1175 Y1179 W1184 | L955-V1177 HydrophobicContact CB-CG2 4.08Å; L955-V1177 HydrophobicContact CD1-CG2 4.11Å; C1172-V1177 CarbonylContact C-O 3.6Å; C1172-V1177 WeakPolarHBondContact CB-O 3.33Å; C1172-V1177 PolarHBondContact O-N 2.89Å; N1175-V1177 PolarHBondContact O-N 3.05Å; V1177-Y1179 PolarHBondContact O-N 2.92Å; V1177-W1184 HydrophobicContact CG1-CB 4.08Å; V1177-W1184 HydrophobicContact CG1-CG 4.41Å | ||
| 1178 | D | 89.6 | Confident | 93.4 | Very high | 29 Ų | 29 | 36.1 Ų | 36.1 | 16% | 0.155 | 20% | 0.196 | C | C | . | . | trans | -65.2 | 125.9 | 175.6 | 174.1 | -101.9 | 0 | 0 | 0 | 110.6 | R200 L1180 T1181 G1182 R1253 | R200-D1178 IonicContact NH1-OD2 3.43Å; R200-D1178 IonicContact NH2-OD1 3.98Å; R200-D1178 PolarHBondContact NH2-OD1 2.94Å; R200-D1178 IonicContact NH2-OD2 2.75Å; D1178-L1180 PolarHBondContact O-N 3.45Å; D1178-L1180 PolarHBondContact OD1-N 3.45Å; D1178-T1181 WeakPolarHBondContact OD1-CB 3.47Å; D1178-T1181 PolarHBondContact OD1-N 2.97Å; D1178-T1181 PolarHBondContact OD1-OG1 2.9Å; D1178-G1182 VanDerWaalsContact O-CA 3.24Å; D1178-G1182 WeakPolarHBondContact O-CA 3.21Å; D1178-G1182 PolarHBondContact O-N 3.08Å; D1178-R1253 IonicContact OD2-CZ 2.67Å; D1178-R1253 IonicContact OD2-NE 3.99Å; D1178-R1253 IonicContact OD2-NH2 2.63Å; D1178-R1253 PolarHBondContact OD2-NH2 3.05Å | ||
| 1179 | Y | 95 | Very high | 93.3 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 2% | 0.024 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -40.4 | -174.6 | 178 | -102.9 | 0 | 0 | 0 | 113.8 | Q1138 W1165 I1168 H1169 C1172 V1177 W1184 | Q1138-Y1179 VanDerWaalsContact CD-OH 3.28Å; Q1138-Y1179 WeakPolarHBondContact CG-OH 3.37Å; Q1138-Y1179 PolarHBondContact OE1-OH 3.29Å; Q1138-Y1179 VanDerWaalsContact OE1-OH 3.11Å; W1165-Y1179 HydrophobicContact CE3-CD1 4.21Å; W1165-Y1179 AromaticContact CE3-CE1 3.63Å; W1165-Y1179 HydrophobicContact CE3-CE1 3.63Å; W1165-Y1179 HydrophobicContact CZ3-CD1 4.29Å; W1165-Y1179 HydrophobicContact CZ3-CE1 4.11Å; I1168-Y1179 HydrophobicContact CB-CE2 4.2Å; I1168-Y1179 HydrophobicContact CG2-CD2 4.36Å; I1168-Y1179 HydrophobicContact CG2-CE2 3.82Å; H1169-Y1179 VanDerWaalsContact CA-CD2 3.49Å; H1169-Y1179 HydrophobicContact CB-CD1 4.2Å; H1169-Y1179 HydrophobicContact CB-CD2 3.97Å; H1169-Y1179 HydrophobicContact CB-CE2 4.43Å; H1169-Y1179 HydrophobicContact CB-CG 3.85Å; H1169-Y1179 AromaticContact CD2-CD1 3.99Å; H1169-Y1179 AromaticContact CD2-CG 3.89Å; C1172-Y1179 HydrophobicContact CB-CD2 4.4Å; V1177-Y1179 PolarHBondContact O-N 2.92Å; Y1179-W1184 HydrophobicContact CD2-CH2 4.11Å; Y1179-W1184 AromaticContact CD2-CZ2 3.52Å; Y1179-W1184 HydrophobicContact CD2-CZ2 3.52Å; Y1179-W1184 AromaticContact CE2-CH2 3.55Å; Y1179-W1184 HydrophobicContact CE2-CH2 3.55Å; Y1179-W1184 AromaticContact CE2-CZ2 3.3Å; Y1179-W1184 HydrophobicContact CE2-CZ2 3.3Å; Y1179-W1184 HydrophobicContact CG-CZ2 4.45Å; Y1179-W1184 PolarHBondContact O-NE1 3.5Å |
| 1180 | L | 93.7 | Very high | 93.2 | Very high | 42 Ų | 42 | 42.8 Ų | 42.8 | 22% | 0.22 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -30 | -171.4 | -66.8 | 177.2 | 0 | 0 | 0 | 113.9 | D1178 F1249 R1253 V1255 | D1178-L1180 PolarHBondContact O-N 3.45Å; D1178-L1180 PolarHBondContact OD1-N 3.45Å; L1180-F1249 HydrophobicContact CD1-CD1 3.97Å; L1180-F1249 HydrophobicContact CD1-CE1 3.82Å; L1180-F1249 HydrophobicContact CD2-CD1 4.29Å; L1180-F1249 HydrophobicContact CD2-CE1 4.18Å; L1180-F1249 HydrophobicContact CG-CE1 4.17Å; L1180-R1253 HydrophobicContact CD1-CB 3.76Å; L1180-R1253 HydrophobicContact CD1-CG 3.87Å; L1180-V1255 HydrophobicContact CB-CG2 4.48Å; L1180-V1255 HydrophobicContact CD1-CG2 4.03Å |
| 1181 | T | 90.1 | Very high | 93.3 | Very high | 75 Ų | 75 | 38.4 Ų | 38.4 | 46% | 0.46 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.8 | -8.2 | -170.8 | 67.6 | 0 | 0 | 0 | 0 | 114.6 | R200 D1178 V1255 | R200-T1181 PolarHBondContact NH2-OG1 2.9Å; D1178-T1181 WeakPolarHBondContact OD1-CB 3.47Å; D1178-T1181 PolarHBondContact OD1-N 2.97Å; D1178-T1181 PolarHBondContact OD1-OG1 2.9Å; T1181-V1255 HydrophobicContact CG2-CG1 4.26Å; T1181-V1255 HydrophobicContact CG2-CG2 4.05Å |
| 1182 | G | 89.4 | Confident | 93.3 | Very high | 26 Ų | 26 | 43.1 Ų | 43.1 | 27% | 0.268 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -73.9 | 162.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1178 | D1178-G1182 VanDerWaalsContact O-CA 3.24Å; D1178-G1182 WeakPolarHBondContact O-CA 3.21Å; D1178-G1182 PolarHBondContact O-N 3.08Å |
| 1183 | S | 94.2 | Very high | 93.2 | Very high | 27 Ų | 27 | 49 Ų | 49 | 19% | 0.189 | 25% | 0.249 | C | C | . | . | trans | -104.4 | 102.8 | 175.4 | 178 | 0 | 0 | 0 | 0 | 108.5 | C956 S958 | C956-S1183 PolarHBondContact N-O 3.13Å; C956-S1183 VanDerWaalsContact O-CB 3.31Å; C956-S1183 WeakPolarHBondContact O-CB 3.48Å; C956-S1183 PolarHBondContact O-OG 3.36Å; S958-S1183 WeakPolarHBondContact CB-OG 3.44Å | ||
| 1184 | W | 96.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -123.6 | 151.5 | -175.1 | 45.6 | -85.8 | 0 | 0 | 0 | 113.7 | W954 P1135 G1136 I1168 V1177 Y1179 P1186 V1216 | W954-W1184 HydrophobicContact CE3-CE3 4.49Å; W954-W1184 HydrophobicContact CZ3-CE3 4.31Å; W954-W1184 CarbonylContact O-C 3.56Å; W954-W1184 WeakPolarHBondContact O-CA 3.46Å; W954-W1184 WeakPolarHBondContact O-CB 3.32Å; P1135-W1184 WeakPolarHBondContact CB-O 3.49Å; G1136-W1184 VanDerWaalsContact C-CH2 3.5Å; G1136-W1184 PolarHBondContact N-O 2.93Å; G1136-W1184 VanDerWaalsContact O-CZ2 3.23Å; G1136-W1184 WeakPolarHBondContact O-CZ2 3.41Å; G1136-W1184 PolarHBondContact O-NE1 3.37Å; I1168-W1184 HydrophobicContact CG2-CE3 4.37Å; I1168-W1184 HydrophobicContact CG2-CH2 3.63Å; I1168-W1184 HydrophobicContact CG2-CZ3 3.52Å; V1177-W1184 HydrophobicContact CG1-CB 4.08Å; V1177-W1184 HydrophobicContact CG1-CG 4.41Å; Y1179-W1184 HydrophobicContact CD2-CH2 4.11Å; Y1179-W1184 AromaticContact CD2-CZ2 3.52Å; Y1179-W1184 HydrophobicContact CD2-CZ2 3.52Å; Y1179-W1184 AromaticContact CE2-CH2 3.55Å; Y1179-W1184 HydrophobicContact CE2-CH2 3.55Å; Y1179-W1184 AromaticContact CE2-CZ2 3.3Å; Y1179-W1184 HydrophobicContact CE2-CZ2 3.3Å; Y1179-W1184 HydrophobicContact CG-CZ2 4.45Å; Y1179-W1184 PolarHBondContact O-NE1 3.5Å; W1184-P1186 HydrophobicContact CE3-CG 3.76Å; W1184-P1186 HydrophobicContact CZ3-CG 3.66Å; W1184-V1216 HydrophobicContact CH2-CG1 3.72Å; W1184-V1216 HydrophobicContact CZ3-CG1 4.45Å |
| 1185 | W | 97.9 | Very high | 93.8 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 1% | 0.011 | 24% | 0.241 | C | C | . | . | trans | -130.2 | 111.8 | 173.7 | -164.3 | -90.4 | 0 | 0 | 0 | 108.6 | P942 N945 W954 C956 R1133 T1134 F1158 W1218 Q1220 | P942-W1185 VanDerWaalsContact O-CZ2 3.22Å; P942-W1185 WeakPolarHBondContact O-CZ2 3.4Å; P942-W1185 PolarHBondContact O-NE1 2.88Å; N945-W1185 HydrophobicContact CB-CB 3.84Å; N945-W1185 HydrophobicContact CB-CG 3.99Å; W954-W1185 PolarHBondContact O-N 3.32Å; C956-W1185 HydrophobicContact CB-CB 4.09Å; R1133-W1185 HydrophobicContact CB-CE3 4.26Å; R1133-W1185 HydrophobicContact CB-CH2 4.36Å; R1133-W1185 HydrophobicContact CB-CZ3 3.74Å; R1133-W1185 HydrophobicContact CG-CE3 4.05Å; R1133-W1185 HydrophobicContact CG-CH2 3.74Å; R1133-W1185 HydrophobicContact CG-CZ2 4.41Å; R1133-W1185 HydrophobicContact CG-CZ3 3.53Å; T1134-W1185 WeakPolarHBondContact O-CZ3 3.35Å; F1158-W1185 HydrophobicContact CD2-CZ2 4.46Å; F1158-W1185 HydrophobicContact CE2-CZ2 4.17Å; W1185-W1218 AromaticContact CD2-CD1 3.9Å; W1185-W1218 AromaticContact CE2-CD1 3.69Å; W1185-W1218 HydrophobicContact CE3-CB 4.28Å; W1185-W1218 AromaticContact CE3-CD1 3.98Å; W1185-W1218 HydrophobicContact CE3-CG 4.47Å; W1185-W1218 HydrophobicContact CH2-CB 4.41Å; W1185-W1218 AromaticContact CH2-CD1 3.69Å; W1185-W1218 HydrophobicContact CH2-CG 4.47Å; W1185-W1218 AromaticContact CZ2-CD1 3.61Å; W1185-W1218 HydrophobicContact CZ3-CB 3.98Å; W1185-W1218 AromaticContact CZ3-CD1 3.88Å; W1185-W1218 HydrophobicContact CZ3-CG 4.35Å; W1185-Q1220 HydrophobicContact CH2-CB 3.83Å; W1185-Q1220 HydrophobicContact CZ2-CB 4.23Å | ||
| 1186 | P | 97.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | trans | -63.1 | 140.4 | -177.8 | -26.5 | 37 | 0 | 0 | 0 | 113.3 | W954 W1184 L1191 W1218 | W954-P1186 HydrophobicContact CH2-CB 3.83Å; W954-P1186 HydrophobicContact CH2-CG 4.33Å; W954-P1186 HydrophobicContact CZ2-CB 4.25Å; W954-P1186 HydrophobicContact CZ3-CB 4.03Å; W954-P1186 HydrophobicContact CZ3-CG 4.08Å; W1184-P1186 HydrophobicContact CE3-CG 3.76Å; W1184-P1186 HydrophobicContact CZ3-CG 3.66Å; P1186-L1191 HydrophobicContact CB-CD1 3.74Å; P1186-L1191 HydrophobicContact CB-CG 4.2Å; P1186-W1218 HydrophobicContact CB-CH2 4.1Å; P1186-W1218 HydrophobicContact CB-CZ2 3.84Å; P1186-W1218 HydrophobicContact CG-CD2 3.97Å; P1186-W1218 HydrophobicContact CG-CE3 3.94Å; P1186-W1218 HydrophobicContact CG-CH2 3.83Å; P1186-W1218 HydrophobicContact CG-CZ2 3.78Å; P1186-W1218 HydrophobicContact CG-CZ3 3.89Å | ||
| 1187 | D | 96 | Very high | 94.6 | Very high | 31 Ų | 31 | 38.2 Ų | 38.2 | 17% | 0.166 | 20% | 0.196 | C | C | . | . | trans | -77 | 120.8 | 162.7 | 165.7 | 38 | 0 | 0 | 0 | 110 | T952 E1189 T1190 L1191 | T952-D1187 HydrophobicContact CG2-CB 4.04Å; D1187-E1189 VanDerWaalsContact C-N 3.29Å; D1187-E1189 PolarHBondContact O-N 3.11Å; D1187-E1189 PolarHBondContact OD1-N 3.39Å; D1187-T1190 PolarHBondContact O-N 2.91Å; D1187-T1190 WeakPolarHBondContact OD2-CB 3.22Å; D1187-T1190 PolarHBondContact OD2-N 3.17Å; D1187-T1190 PolarHBondContact OD2-OG1 3.2Å; D1187-L1191 WeakPolarHBondContact O-CG 3.44Å; D1187-L1191 PolarHBondContact O-N 3.35Å | ||
| 1188 | L | 95.1 | Very high | 95 | Very high | 39 Ų | 39 | 38.1 Ų | 38.1 | 20% | 0.204 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66 | -29.9 | -179.4 | -57.4 | -177.5 | 0 | 0 | 0 | 112.4 | D943 F1158 L1191 Y1192 V1198 W1218 | D943-L1188 HydrophobicContact CB-CD1 3.76Å; F1158-L1188 HydrophobicContact CD1-CD1 4.39Å; F1158-L1188 HydrophobicContact CD1-CD2 4.12Å; F1158-L1188 HydrophobicContact CE1-CD1 3.86Å; F1158-L1188 HydrophobicContact CE1-CD2 4.38Å; L1188-L1191 HydrophobicContact CD2-CD1 4.4Å; L1188-L1191 PolarHBondContact O-N 3.17Å; L1188-Y1192 WeakPolarHBondContact O-CB 3.45Å; L1188-Y1192 PolarHBondContact O-N 2.95Å; L1188-V1198 HydrophobicContact CD2-CG1 4.36Å; L1188-W1218 HydrophobicContact CD2-CZ2 3.95Å |
| 1189 | E | 94.3 | Very high | 95.4 | Very high | 118 Ų | 118 | 38.3 Ų | 38.3 | 55% | 0.551 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -71.1 | -39.8 | 178.1 | -153.5 | -163.7 | 146.1 | 0 | 0 | 110.9 | D1187 Y1192 K1193 | D1187-E1189 VanDerWaalsContact C-N 3.29Å; D1187-E1189 PolarHBondContact O-N 3.11Å; D1187-E1189 PolarHBondContact OD1-N 3.39Å; E1189-Y1192 PolarHBondContact O-N 3.01Å; E1189-K1193 WeakPolarHBondContact O-CB 3.47Å; E1189-K1193 WeakPolarHBondContact O-CD 3.18Å; E1189-K1193 VanDerWaalsContact O-CG 3.26Å; E1189-K1193 WeakPolarHBondContact O-CG 3.47Å; E1189-K1193 PolarHBondContact O-N 2.95Å; E1189-K1193 WeakPolarHBondContact OE1-CE 3.22Å; E1189-K1193 IonicContact OE1-NZ 3.65Å; E1189-K1193 PolarHBondContact OE1-NZ 3.33Å; E1189-K1193 IonicContact OE2-NZ 3.37Å |
| 1190 | T | 95.7 | Very high | 95.5 | Very high | 33 Ų | 33 | 42.7 Ų | 42.7 | 20% | 0.202 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.1 | -47.3 | 170.2 | -64.5 | 0 | 0 | 0 | 0 | 111.4 | W954 L1171 D1187 Y1192 K1193 E1194 | W954-T1190 HydrophobicContact CZ2-CG2 4Å; L1171-T1190 HydrophobicContact CD1-CG2 4.17Å; L1171-T1190 HydrophobicContact CD2-CG2 3.91Å; D1187-T1190 PolarHBondContact O-N 2.91Å; D1187-T1190 WeakPolarHBondContact OD2-CB 3.22Å; D1187-T1190 PolarHBondContact OD2-N 3.17Å; D1187-T1190 PolarHBondContact OD2-OG1 3.2Å; T1190-Y1192 VanDerWaalsContact C-N 3.33Å; T1190-Y1192 PolarHBondContact O-N 3.49Å; T1190-K1193 PolarHBondContact O-N 3.35Å; T1190-E1194 HydrophobicContact CG2-CG 4.19Å; T1190-E1194 WeakPolarHBondContact O-CB 3.49Å; T1190-E1194 VanDerWaalsContact O-CG 3.27Å; T1190-E1194 WeakPolarHBondContact O-CG 3.42Å; T1190-E1194 PolarHBondContact O-N 3.28Å |
| 1191 | L | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.5 | -41.1 | 178.1 | -66.3 | -177.9 | 0 | 0 | 0 | 112.3 | W954 I1168 L1171 P1186 D1187 L1188 E1194 E1195 I1196 V1198 W1218 | W954-L1191 HydrophobicContact CH2-CD2 4.08Å; I1168-L1191 HydrophobicContact CG1-CD2 4.32Å; L1171-L1191 HydrophobicContact CD1-CD2 3.98Å; P1186-L1191 HydrophobicContact CB-CD1 3.74Å; P1186-L1191 HydrophobicContact CB-CG 4.2Å; D1187-L1191 WeakPolarHBondContact O-CG 3.44Å; D1187-L1191 PolarHBondContact O-N 3.35Å; L1188-L1191 HydrophobicContact CD2-CD1 4.4Å; L1188-L1191 PolarHBondContact O-N 3.17Å; L1191-E1194 PolarHBondContact O-N 2.88Å; L1191-E1195 PolarHBondContact O-N 3.45Å; L1191-E1195 VanDerWaalsContact O-N 3.15Å; L1191-I1196 HydrophobicContact CB-CB 4.31Å; L1191-I1196 HydrophobicContact CD2-CB 4.23Å; L1191-I1196 HydrophobicContact CD2-CD1 3.71Å; L1191-I1196 HydrophobicContact CD2-CG2 4.23Å; L1191-I1196 PolarHBondContact O-N 3.13Å; L1191-V1198 HydrophobicContact CB-CG2 4.07Å; L1191-V1198 HydrophobicContact CD1-CG2 3.64Å; L1191-W1218 HydrophobicContact CD1-CH2 3.58Å; L1191-W1218 HydrophobicContact CD1-CZ2 3.87Å |
| 1192 | Y | 95.4 | Very high | 96.1 | Very high | 106 Ų | 106 | 40.4 Ų | 40.4 | 42% | 0.416 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.7 | -34.5 | 176.5 | -179 | -100.9 | 0 | 0 | 0 | 113.3 | L872 L1188 E1189 T1190 E1195 | L872-Y1192 HydrophobicContact CB-CD2 3.87Å; L872-Y1192 HydrophobicContact CB-CE2 4.07Å; L872-Y1192 HydrophobicContact CD1-CD2 3.66Å; L872-Y1192 HydrophobicContact CD1-CE2 3.71Å; L872-Y1192 HydrophobicContact CD1-CG 4.46Å; L872-Y1192 HydrophobicContact CG-CD2 4.43Å; L1188-Y1192 WeakPolarHBondContact O-CB 3.45Å; L1188-Y1192 PolarHBondContact O-N 2.95Å; E1189-Y1192 PolarHBondContact O-N 3.01Å; T1190-Y1192 VanDerWaalsContact C-N 3.33Å; T1190-Y1192 PolarHBondContact O-N 3.49Å; Y1192-E1195 PolarHBondContact O-N 2.95Å |
| 1193 | K | 94.9 | Very high | 96.5 | Very high | 123 Ų | 123 | 39.2 Ų | 39.2 | 54% | 0.535 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.5 | -42 | 173.3 | -74.6 | 164.4 | -175.4 | 163.9 | 0 | 112.2 | E1189 T1190 E1195 | E1189-K1193 WeakPolarHBondContact O-CB 3.47Å; E1189-K1193 WeakPolarHBondContact O-CD 3.18Å; E1189-K1193 VanDerWaalsContact O-CG 3.26Å; E1189-K1193 WeakPolarHBondContact O-CG 3.47Å; E1189-K1193 PolarHBondContact O-N 2.95Å; E1189-K1193 WeakPolarHBondContact OE1-CE 3.22Å; E1189-K1193 IonicContact OE1-NZ 3.65Å; E1189-K1193 PolarHBondContact OE1-NZ 3.33Å; E1189-K1193 IonicContact OE2-NZ 3.37Å; T1190-K1193 PolarHBondContact O-N 3.35Å; K1193-E1195 PolarHBondContact O-N 3.47Å |
| 1194 | E | 94.9 | Very high | 96.7 | Very high | 70 Ų | 70 | 43.4 Ų | 43.4 | 33% | 0.327 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 1.8 | 178.7 | -61.1 | -81.5 | -174.6 | 0 | 0 | 112.7 | K862 L1171 K1174 T1190 L1191 I1196 | K862-E1194 VanDerWaalsContact CD-O 3.22Å; K862-E1194 WeakPolarHBondContact CD-O 3.39Å; K862-E1194 PolarHBondContact NZ-O 3.3Å; L1171-E1194 HydrophobicContact CD1-CG 4.21Å; L1171-E1194 HydrophobicContact CD2-CG 4.09Å; K1174-E1194 IonicContact NZ-OE1 2.7Å; K1174-E1194 PolarHBondContact NZ-OE1 3.24Å; T1190-E1194 HydrophobicContact CG2-CG 4.19Å; T1190-E1194 WeakPolarHBondContact O-CB 3.49Å; T1190-E1194 VanDerWaalsContact O-CG 3.27Å; T1190-E1194 WeakPolarHBondContact O-CG 3.42Å; T1190-E1194 PolarHBondContact O-N 3.28Å; L1191-E1194 PolarHBondContact O-N 2.88Å; E1194-I1196 HydrophobicContact CB-CD1 3.99Å; E1194-I1196 HydrophobicContact CB-CG1 4.15Å |
| 1195 | E | 96.5 | Very high | 96.8 | Very high | 52 Ų | 52 | 46 Ų | 46 | 24% | 0.243 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 35.8 | 177.1 | -46.7 | 171.7 | 129.2 | 0 | 0 | 113.9 | K862 P866 L872 L1191 Y1192 K1193 | K862-E1195 IonicContact NZ-OE2 2.67Å; K862-E1195 PolarHBondContact NZ-OE2 3.16Å; P866-E1195 HydrophobicContact CB-CB 4Å; P866-E1195 WeakPolarHBondContact CB-OE2 3.38Å; L872-E1195 VanDerWaalsContact CD2-C 3.43Å; L872-E1195 HydrophobicContact CD2-CB 4.31Å; L872-E1195 WeakPolarHBondContact CD2-O 3.38Å; L1191-E1195 PolarHBondContact O-N 3.45Å; L1191-E1195 VanDerWaalsContact O-N 3.15Å; Y1192-E1195 PolarHBondContact O-N 2.95Å; K1193-E1195 PolarHBondContact O-N 3.47Å |
| 1196 | I | 97 | Very high | 96.8 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | trans | -94.7 | 119.8 | 178.6 | -59.4 | 173.5 | 0 | 0 | 0 | 108.7 | V1160 Y1164 A1167 I1168 L1171 L1191 E1194 | V1160-I1196 HydrophobicContact CB-CG2 4.44Å; V1160-I1196 HydrophobicContact CG1-CG2 3.42Å; V1160-I1196 VanDerWaalsContact CG1-CG2 3.42Å; V1160-I1196 HydrophobicContact CG2-CG2 4.13Å; Y1164-I1196 HydrophobicContact CD1-CB 4.36Å; Y1164-I1196 HydrophobicContact CD1-CG1 4.13Å; Y1164-I1196 HydrophobicContact CD1-CG2 4.15Å; Y1164-I1196 HydrophobicContact CG-CG2 4.28Å; A1167-I1196 HydrophobicContact CB-CD1 3.82Å; A1167-I1196 HydrophobicContact CB-CG1 4.37Å; I1168-I1196 HydrophobicContact CG1-CD1 4.25Å; L1171-I1196 HydrophobicContact CD1-CD1 3.86Å; L1191-I1196 HydrophobicContact CB-CB 4.31Å; L1191-I1196 HydrophobicContact CD2-CB 4.23Å; L1191-I1196 HydrophobicContact CD2-CD1 3.71Å; L1191-I1196 HydrophobicContact CD2-CG2 4.23Å; L1191-I1196 PolarHBondContact O-N 3.13Å; E1194-I1196 HydrophobicContact CB-CD1 3.99Å; E1194-I1196 HydrophobicContact CB-CG1 4.15Å | ||
| 1197 | P | 97.2 | Very high | 96.8 | Very high | 10 Ų | 10 | 46.3 Ų | 46.3 | 7% | 0.065 | 21% | 0.214 | C | C | . | . | trans | -77 | 129.7 | -177.3 | 29.7 | -33.2 | 0 | 0 | 0 | 112 | P867 L872 P874 P1161 Y1164 | P867-P1197 HydrophobicContact CG-CB 4.42Å; P867-P1197 HydrophobicContact CG-CG 4.13Å; L872-P1197 HydrophobicContact CD2-CB 4.38Å; L872-P1197 CarbonylContact O-C 3.47Å; L872-P1197 WeakPolarHBondContact O-CA 3.38Å; P874-P1197 HydrophobicContact CG-CB 4.47Å; P1161-P1197 HydrophobicContact CG-CG 4.31Å; Y1164-P1197 HydrophobicContact CD2-CG 4.3Å; Y1164-P1197 HydrophobicContact CE1-CG 4.39Å; Y1164-P1197 HydrophobicContact CE2-CG 3.79Å; Y1164-P1197 VanDerWaalsContact CZ-CD 3.46Å | ||
| 1198 | V | 97.9 | Very high | 96.9 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | trans | -118.3 | 114 | -176.6 | -171.8 | 0 | 0 | 0 | 0 | 111 | L872 F1158 V1160 L1188 L1191 W1218 | L872-V1198 PolarHBondContact O-N 3.37Å; F1158-V1198 HydrophobicContact CB-CG1 4.42Å; F1158-V1198 HydrophobicContact CD1-CG1 4.41Å; V1160-V1198 HydrophobicContact CG2-CG2 4.04Å; L1188-V1198 HydrophobicContact CD2-CG1 4.36Å; L1191-V1198 HydrophobicContact CB-CG2 4.07Å; L1191-V1198 HydrophobicContact CD1-CG2 3.64Å; V1198-W1218 HydrophobicContact CG1-CH2 4.36Å; V1198-W1218 HydrophobicContact CG1-CZ2 4.35Å | ||
| 1199 | Y | 97.9 | Very high | 97.1 | Very high | 33 Ų | 33 | 43 Ų | 43 | 13% | 0.129 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 124.3 | 165.4 | -64.3 | -90.1 | 0 | 0 | 0 | 108.9 | P874 P877 P900 V901 F1158 S1159 P1161 | P874-Y1199 HydrophobicContact CB-CD1 4.14Å; P874-Y1199 HydrophobicContact CB-CE1 3.64Å; P874-Y1199 HydrophobicContact CG-CD1 3.65Å; P874-Y1199 HydrophobicContact CG-CD2 3.97Å; P874-Y1199 HydrophobicContact CG-CE1 3.46Å; P874-Y1199 VanDerWaalsContact CG-CE1 3.46Å; P874-Y1199 HydrophobicContact CG-CE2 3.75Å; P874-Y1199 HydrophobicContact CG-CG 3.92Å; P874-Y1199 VanDerWaalsContact CG-CZ 3.5Å; P877-Y1199 HydrophobicContact CG-CE1 4.48Å; P900-Y1199 HydrophobicContact CG-CD2 4.22Å; P900-Y1199 HydrophobicContact CG-CE2 3.55Å; V901-Y1199 HydrophobicContact CG1-CD1 4.32Å; V901-Y1199 HydrophobicContact CG1-CD2 4.31Å; V901-Y1199 HydrophobicContact CG1-CG 3.94Å; F1158-Y1199 CarbonylContact C-O 3.56Å; F1158-Y1199 VanDerWaalsContact CA-O 3.29Å; F1158-Y1199 WeakPolarHBondContact CA-O 3.31Å; S1159-Y1199 PolarHBondContact N-O 3.2Å; S1159-Y1199 PolarHBondContact O-N 3.33Å; P1161-Y1199 HydrophobicContact CG-CE2 3.96Å |
| 1200 | R | 97.6 | Very high | 97.3 | Very high | 99 Ų | 99 | 37.4 Ų | 37.4 | 37% | 0.374 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.1 | 175.3 | -176.3 | 179.1 | -179.1 | 160.3 | 7.3 | 109.4 | T876 D943 E1156 W1157 F1158 | T876-R1200 PolarHBondContact OG1-O 2.99Å; D943-R1200 IonicContact OD2-CZ 3.84Å; D943-R1200 IonicContact OD2-NH1 3.5Å; D943-R1200 PolarHBondContact OD2-NH1 3.26Å; D943-R1200 IonicContact OD2-NH2 2.71Å; D943-R1200 PolarHBondContact OD2-NH2 3.24Å; E1156-R1200 VanDerWaalsContact CD-NH2 3.35Å; E1156-R1200 IonicContact OE1-CZ 3.15Å; E1156-R1200 IonicContact OE1-NE 2.82Å; E1156-R1200 PolarHBondContact OE1-NE 2.96Å; E1156-R1200 IonicContact OE1-NH2 3.6Å; E1156-R1200 PolarHBondContact OE1-NH2 3.37Å; E1156-R1200 IonicContact OE2-CZ 2.74Å; E1156-R1200 IonicContact OE2-NE 3.72Å; E1156-R1200 IonicContact OE2-NH2 2.83Å; E1156-R1200 PolarHBondContact OE2-NH2 3.29Å; W1157-R1200 WeakPolarHBondContact O-CA 3.47Å; F1158-R1200 HydrophobicContact CD1-CB 4.31Å; F1158-R1200 HydrophobicContact CD1-CG 4Å; F1158-R1200 HydrophobicContact CE1-CB 4.45Å; F1158-R1200 HydrophobicContact CE1-CG 3.7Å; F1158-R1200 HydrophobicContact CZ-CG 4.43Å |
| 1201 | F | 98 | Very high | 97.4 | Very high | 13 Ų | 13 | 35.9 Ų | 35.9 | 6% | 0.057 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 158.5 | -179 | 61.9 | -87.4 | 0 | 0 | 0 | 114.4 | T876 V901 V903 E1156 W1157 V1209 | T876-F1201 HydrophobicContact CG2-CB 4.07Å; T876-F1201 HydrophobicContact CG2-CD1 3.46Å; T876-F1201 VanDerWaalsContact CG2-CD1 3.46Å; T876-F1201 HydrophobicContact CG2-CD2 4.49Å; T876-F1201 HydrophobicContact CG2-CE1 3.94Å; T876-F1201 HydrophobicContact CG2-CG 3.76Å; T876-F1201 WeakPolarHBondContact OG1-CD1 3.48Å; V901-F1201 HydrophobicContact CG1-CE1 4.24Å; V901-F1201 HydrophobicContact CG2-CE1 3.65Å; V901-F1201 HydrophobicContact CG2-CZ 3.57Å; V903-F1201 HydrophobicContact CG2-CD2 3.39Å; V903-F1201 HydrophobicContact CG2-CE1 4.49Å; V903-F1201 HydrophobicContact CG2-CE2 3.37Å; V903-F1201 HydrophobicContact CG2-CG 3.99Å; V903-F1201 HydrophobicContact CG2-CZ 3.94Å; E1156-F1201 WeakPolarHBondContact CA-O 3.41Å; W1157-F1201 HydrophobicContact CB-CD1 4.05Å; W1157-F1201 HydrophobicContact CB-CD2 3.88Å; W1157-F1201 HydrophobicContact CB-CE1 3.59Å; W1157-F1201 HydrophobicContact CB-CE2 3.38Å; W1157-F1201 HydrophobicContact CB-CG 4.2Å; W1157-F1201 HydrophobicContact CB-CZ 3.24Å; W1157-F1201 AromaticContact CD1-CE2 3.78Å; W1157-F1201 HydrophobicContact CD2-CE2 4.18Å; W1157-F1201 HydrophobicContact CD2-CZ 4.04Å; W1157-F1201 HydrophobicContact CE3-CZ 4.31Å; W1157-F1201 HydrophobicContact CG-CD2 4.28Å; W1157-F1201 HydrophobicContact CG-CE1 4.43Å; W1157-F1201 AromaticContact CG-CE2 3.5Å; W1157-F1201 HydrophobicContact CG-CE2 3.5Å; W1157-F1201 AromaticContact CG-CZ 3.61Å; W1157-F1201 HydrophobicContact CG-CZ 3.61Å; W1157-F1201 PolarHBondContact N-O 2.97Å; W1157-F1201 PolarHBondContact O-N 3.03Å; F1201-V1209 HydrophobicContact CE2-CG1 4.18Å; F1201-V1209 HydrophobicContact CE2-CG2 3.73Å; F1201-V1209 HydrophobicContact CZ-CG1 3.9Å; F1201-V1209 HydrophobicContact CZ-CG2 4.3Å |
| 1202 | I | 98.3 | Very high | 97.5 | Very high | 56 Ų | 56 | 37.2 Ų | 37.2 | 29% | 0.287 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 135.9 | 170.2 | -54.8 | -56.4 | 0 | 0 | 0 | 110.7 | R905 D1154 C1155 E1156 R1204 | R905-I1202 VanDerWaalsContact CZ-O 3.3Å; R905-I1202 PolarHBondContact NH1-O 3.07Å; R905-I1202 PolarHBondContact NH2-O 3.29Å; D1154-I1202 HydrophobicContact CB-CG2 3.71Å; D1154-I1202 WeakPolarHBondContact OD2-CG2 3.4Å; C1155-I1202 CarbonylContact O-C 3.41Å; C1155-I1202 WeakPolarHBondContact O-CA 3.33Å; E1156-I1202 HydrophobicContact CB-CD1 3.7Å; E1156-I1202 HydrophobicContact CG-CD1 3.89Å; I1202-R1204 HydrophobicContact CG2-CG 4.12Å |
| 1203 | Q | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 114.2 | 167.2 | 178.4 | -164.1 | 28 | 0 | 0 | 109.2 | N1147 N1149 C1155 D1207 V1209 N1227 | N1147-Q1203 PolarHBondContact O-NE2 3.31Å; N1147-Q1203 VanDerWaalsContact O-NE2 3.17Å; N1147-Q1203 PolarHBondContact OD1-NE2 3.32Å; N1147-Q1203 VanDerWaalsContact OD1-NE2 3.16Å; N1147-Q1203 PolarHBondContact OD1-OE1 3.09Å; N1149-Q1203 HydrophobicContact CB-CG 3.83Å; N1149-Q1203 VanDerWaalsContact N-NE2 3.14Å; N1149-Q1203 PolarHBondContact ND2-O 2.89Å; C1155-Q1203 HydrophobicContact CB-CB 4.47Å; C1155-Q1203 PolarHBondContact N-O 1.8Å; C1155-Q1203 VanDerWaalsContact N-O 3.08Å; C1155-Q1203 PolarHBondContact O-N 3.35Å; Q1203-D1207 HydrophobicContact CG-CB 4.1Å; Q1203-D1207 PolarHBondContact NE2-O 3.35Å; Q1203-V1209 HydrophobicContact CB-CG2 3.9Å; Q1203-V1209 HydrophobicContact CG-CG2 3.68Å; Q1203-N1227 PolarHBondContact OE1-ND2 3.45Å |
| 1204 | R | 98.2 | Very high | 97.8 | Very high | 116 Ų | 116 | 26.7 Ų | 26.7 | 44% | 0.438 | 13% | 0.126 | S | C | . | . | trans | -91.5 | 167 | -177.9 | -57.2 | 172.7 | -60.4 | -179 | 8 | 111.6 | D1154 I1202 G1206 D1207 | D1154-R1204 VanDerWaalsContact OD1-CA 3.29Å; D1154-R1204 WeakPolarHBondContact OD1-CA 3.36Å; I1202-R1204 HydrophobicContact CG2-CG 4.12Å; R1204-G1206 PolarHBondContact O-N 2.82Å; R1204-D1207 WeakPolarHBondContact CB-OD2 3.3Å; R1204-D1207 IonicContact CZ-OD2 3.71Å; R1204-D1207 PolarHBondContact N-OD2 2.87Å; R1204-D1207 IonicContact NE-OD2 2.64Å; R1204-D1207 PolarHBondContact NE-OD2 3.34Å; R1204-D1207 IonicContact NH2-OD2 2.83Å; R1204-D1207 WeakPolarHBondContact O-CB 3.47Å; R1204-D1207 PolarHBondContact O-N 3.27Å | ||
| 1205 | P | 98 | Very high | 98 | Very high | 56 Ų | 56 | 23.5 Ų | 23.5 | 36% | 0.364 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 128.1 | 174.6 | -26.8 | 34.8 | 0 | 0 | 0 | 112 | P1152 D1154 D1207 | P1152-P1205 WeakPolarHBondContact O-CG 3.47Å; D1154-P1205 WeakPolarHBondContact OD1-CD 3.29Å; P1205-D1207 VanDerWaalsContact C-N 3.32Å; P1205-D1207 PolarHBondContact O-N 3.38Å |
| 1206 | G | 97.1 | Very high | 98.1 | Very high | 6 Ų | 6 | 21 Ų | 21 | 6% | 0.062 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -3.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | L907 A908 N1149 R1204 | L907-G1206 PolarHBondContact N-O 2.97Å; A908-G1206 PolarHBondContact N-O 2.85Å; N1149-G1206 PolarHBondContact O-N 3.42Å; R1204-G1206 PolarHBondContact O-N 2.82Å |
| 1207 | D | 98.3 | Very high | 98.2 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | P | Polyproline II helix | trans | -81.8 | 131.9 | 170.1 | -66.1 | -21 | 0 | 0 | 0 | 110.3 | V903 I904 R905 G906 N1149 Q1203 R1204 P1205 | V903-D1207 HydrophobicContact CG1-CB 4.25Å; I904-D1207 WeakPolarHBondContact O-CA 3.35Å; R905-D1207 VanDerWaalsContact CA-OD1 3.24Å; R905-D1207 WeakPolarHBondContact CA-OD1 3.3Å; R905-D1207 VanDerWaalsContact CD-OD2 3.28Å; R905-D1207 WeakPolarHBondContact CD-OD2 3.02Å; R905-D1207 IonicContact CZ-OD2 2.67Å; R905-D1207 IonicContact NE-OD2 2.8Å; R905-D1207 IonicContact NH1-OD2 2.64Å; R905-D1207 PolarHBondContact NH1-OD2 3.48Å; G906-D1207 PolarHBondContact N-OD1 2.94Å; N1149-D1207 PolarHBondContact N-O 3.47Å; Q1203-D1207 HydrophobicContact CG-CB 4.1Å; Q1203-D1207 PolarHBondContact NE2-O 3.35Å; R1204-D1207 WeakPolarHBondContact CB-OD2 3.3Å; R1204-D1207 IonicContact CZ-OD2 3.71Å; R1204-D1207 PolarHBondContact N-OD2 2.87Å; R1204-D1207 IonicContact NE-OD2 2.64Å; R1204-D1207 PolarHBondContact NE-OD2 3.34Å; R1204-D1207 IonicContact NH2-OD2 2.83Å; R1204-D1207 WeakPolarHBondContact O-CB 3.47Å; R1204-D1207 PolarHBondContact O-N 3.27Å; P1205-D1207 VanDerWaalsContact C-N 3.32Å; P1205-D1207 PolarHBondContact O-N 3.38Å |
| 1208 | L | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 135.1 | 172.6 | -176.5 | 157.2 | 0 | 0 | 0 | 109.7 | I904 L907 V1101 V1146 N1147 I1148 W1210 | I904-L1208 HydrophobicContact CB-CB 4.31Å; I904-L1208 HydrophobicContact CD1-CD2 4.02Å; I904-L1208 HydrophobicContact CG1-CD2 4.36Å; I904-L1208 PolarHBondContact N-O 3.3Å; I904-L1208 PolarHBondContact O-N 3.44Å; L907-L1208 HydrophobicContact CB-CB 4.5Å; L907-L1208 HydrophobicContact CD2-CB 3.55Å; L907-L1208 HydrophobicContact CD2-CD1 3.31Å; L907-L1208 HydrophobicContact CD2-CG 4.06Å; V1101-L1208 HydrophobicContact CG2-CD1 4.31Å; V1146-L1208 HydrophobicContact CG1-CD1 3.71Å; V1146-L1208 HydrophobicContact CG1-CD2 4.29Å; V1146-L1208 HydrophobicContact CG1-CG 4.06Å; N1147-L1208 CarbonylContact O-C 3.37Å; N1147-L1208 VanDerWaalsContact O-CA 3.32Å; N1147-L1208 WeakPolarHBondContact O-CA 3.48Å; I1148-L1208 HydrophobicContact CD1-CD1 4.12Å; I1148-L1208 HydrophobicContact CG1-CB 4.19Å; I1148-L1208 HydrophobicContact CG1-CD1 3.93Å; I1148-L1208 HydrophobicContact CG1-CG 4.02Å; L1208-W1210 HydrophobicContact CD2-CB 4.34Å |
| 1209 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 127.5 | 168.7 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | V901 V903 N1147 W1157 F1201 Q1203 I1211 | V901-V1209 HydrophobicContact CG2-CG1 4.01Å; V903-V1209 HydrophobicContact CG1-CG2 4.31Å; N1147-V1209 HydrophobicContact CB-CB 4.46Å; N1147-V1209 PolarHBondContact N-O 2.7Å; N1147-V1209 PolarHBondContact O-N 3.18Å; W1157-V1209 HydrophobicContact CD2-CG1 4.18Å; W1157-V1209 HydrophobicContact CD2-CG2 4.36Å; W1157-V1209 HydrophobicContact CE3-CG1 4Å; W1157-V1209 HydrophobicContact CH2-CB 4.33Å; W1157-V1209 HydrophobicContact CH2-CG1 4.13Å; W1157-V1209 HydrophobicContact CZ2-CB 4.13Å; W1157-V1209 HydrophobicContact CZ2-CG1 4.28Å; W1157-V1209 HydrophobicContact CZ2-CG2 4.21Å; W1157-V1209 HydrophobicContact CZ3-CG1 3.98Å; F1201-V1209 HydrophobicContact CE2-CG1 4.18Å; F1201-V1209 HydrophobicContact CE2-CG2 3.73Å; F1201-V1209 HydrophobicContact CZ-CG1 3.9Å; F1201-V1209 HydrophobicContact CZ-CG2 4.3Å; Q1203-V1209 HydrophobicContact CB-CG2 3.9Å; Q1203-V1209 HydrophobicContact CG-CG2 3.68Å; V1209-I1211 HydrophobicContact CG1-CD1 3.74Å; V1209-I1211 HydrophobicContact CG1-CG1 4.19Å |
| 1210 | W | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 119.7 | 170.4 | 172.9 | -91.4 | 0 | 0 | 0 | 108.7 | C896 F897 V901 V902 F1100 V1101 C1144 V1146 L1208 V1232 C1234 | C896-W1210 HydrophobicContact CB-CD2 4.01Å; C896-W1210 HydrophobicContact CB-CG 3.94Å; C896-W1210 PolarHBondContact O-NE1 2.91Å; F897-W1210 HydrophobicContact CD1-CH2 4.3Å; F897-W1210 AromaticContact CD1-CZ2 3.71Å; F897-W1210 HydrophobicContact CD1-CZ2 3.71Å; F897-W1210 AromaticContact CE1-CH2 3.8Å; F897-W1210 HydrophobicContact CE1-CH2 3.8Å; F897-W1210 AromaticContact CE1-CZ2 3.7Å; F897-W1210 HydrophobicContact CE1-CZ2 3.7Å; V901-W1210 VanDerWaalsContact CA-O 3.31Å; V901-W1210 WeakPolarHBondContact CA-O 3.32Å; V902-W1210 HydrophobicContact CB-CB 4.29Å; V902-W1210 PolarHBondContact N-O 3.48Å; V902-W1210 PolarHBondContact O-N 3.18Å; F1100-W1210 HydrophobicContact CD2-CE3 4.34Å; F1100-W1210 HydrophobicContact CD2-CH2 4.08Å; F1100-W1210 AromaticContact CD2-CZ3 3.82Å; F1100-W1210 HydrophobicContact CD2-CZ3 3.82Å; F1100-W1210 HydrophobicContact CE2-CE3 4.06Å; F1100-W1210 HydrophobicContact CE2-CH2 4.49Å; F1100-W1210 HydrophobicContact CE2-CZ3 4.01Å; V1101-W1210 HydrophobicContact CG1-CE3 3.92Å; V1101-W1210 HydrophobicContact CG1-CZ3 3.9Å; C1144-W1210 HydrophobicContact CB-CH2 3.85Å; C1144-W1210 HydrophobicContact CB-CZ2 3.74Å; V1146-W1210 HydrophobicContact CG2-CE3 4.01Å; V1146-W1210 HydrophobicContact CG2-CZ3 4Å; L1208-W1210 HydrophobicContact CD2-CB 4.34Å; W1210-V1232 HydrophobicContact CH2-CG2 3.49Å; W1210-V1232 VanDerWaalsContact CH2-CG2 3.49Å; W1210-V1232 HydrophobicContact CZ3-CG2 3.53Å; W1210-C1234 VanDerWaalsContact CH2-SG 3.51Å |
| 1211 | I | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.01 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 117.7 | 171.3 | -57.1 | -61.3 | 0 | 0 | 0 | 107.2 | V901 C1144 A1145 W1157 V1209 T1215 | V901-I1211 HydrophobicContact CB-CD1 4.34Å; V901-I1211 HydrophobicContact CG2-CD1 3.83Å; C1144-I1211 CarbonylContact C-O 3.51Å; C1144-I1211 WeakPolarHBondContact CA-O 3.42Å; C1144-I1211 VanDerWaalsContact CB-O 3.31Å; C1144-I1211 WeakPolarHBondContact CB-O 3.36Å; A1145-I1211 HydrophobicContact CB-CB 4.16Å; A1145-I1211 PolarHBondContact N-O 2.98Å; A1145-I1211 PolarHBondContact O-N 3.14Å; W1157-I1211 HydrophobicContact CE3-CD1 3.99Å; W1157-I1211 HydrophobicContact CZ3-CD1 3.69Å; W1157-I1211 HydrophobicContact CZ3-CG1 3.88Å; V1209-I1211 HydrophobicContact CG1-CD1 3.74Å; V1209-I1211 HydrophobicContact CG1-CG1 4.19Å; I1211-T1215 HydrophobicContact CG2-CG2 4.33Å |
| 1212 | N | 98.2 | Very high | 98.3 | Very high | 27 Ų | 27 | 17.7 Ų | 17.7 | 14% | 0.144 | 9% | 0.09 | C | C | . | . | P | Polyproline II helix | trans | -82.2 | 160.5 | -178.8 | -163.3 | 4.8 | 0 | 0 | 0 | 111.3 | C896 F897 Q899 P900 G1214 T1215 | C896-N1212 PolarHBondContact O-ND2 2.84Å; F897-N1212 VanDerWaalsContact C-ND2 3.33Å; F897-N1212 PolarHBondContact O-ND2 3.05Å; Q899-N1212 WeakPolarHBondContact O-CB 3.4Å; Q899-N1212 PolarHBondContact O-ND2 2.96Å; P900-N1212 WeakPolarHBondContact O-CB 3.26Å; P900-N1212 PolarHBondContact O-N 3.03Å; N1212-G1214 PolarHBondContact O-N 2.74Å; N1212-T1215 VanDerWaalsContact O-CB 3.24Å; N1212-T1215 WeakPolarHBondContact O-CB 3.39Å; N1212-T1215 PolarHBondContact O-N 3.32Å; N1212-T1215 PolarHBondContact O-OG1 3.48Å |
| 1213 | A | 98 | Very high | 98.1 | Very high | 7 Ų | 7 | 15.6 Ų | 15.6 | 6% | 0.058 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.1 | 123.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1142 C1144 T1215 L1242 | N1142-A1213 VanDerWaalsContact O-CA 3.26Å; N1142-A1213 WeakPolarHBondContact O-CA 3.04Å; N1142-A1213 WeakPolarHBondContact O-CB 3.49Å; C1144-A1213 PolarHBondContact SG-N 3.31Å; A1213-T1215 VanDerWaalsContact C-N 3.26Å; A1213-T1215 PolarHBondContact O-N 3.21Å; A1213-L1242 HydrophobicContact CB-CD1 3.8Å; A1213-L1242 WeakPolarHBondContact O-CD1 3.43Å |
| 1214 | G | 97.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 9.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q1138 N1142 E1162 N1212 V1216 | Q1138-G1214 PolarHBondContact NE2-O 3.07Å; N1142-G1214 PolarHBondContact O-N 3.31Å; N1142-G1214 WeakPolarHBondContact OD1-CA 3.38Å; E1162-G1214 WeakPolarHBondContact CA-O 3.44Å; E1162-G1214 VanDerWaalsContact CB-O 3.3Å; E1162-G1214 WeakPolarHBondContact CB-O 3.37Å; E1162-G1214 WeakPolarHBondContact CG-O 3.5Å; N1212-G1214 PolarHBondContact O-N 2.74Å; G1214-V1216 PolarHBondContact O-N 3.23Å |
| 1215 | T | 98.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 12.8 Ų | 12.8 | 3% | 0.025 | 7% | 0.072 | C | C | . | . | trans | -67.3 | 126.6 | 176.6 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | P900 V1160 I1211 N1212 A1213 H1217 | P900-T1215 HydrophobicContact CB-CG2 4.02Å; P900-T1215 PolarHBondContact O-OG1 3.13Å; V1160-T1215 WeakPolarHBondContact O-CG2 3.4Å; I1211-T1215 HydrophobicContact CG2-CG2 4.33Å; N1212-T1215 VanDerWaalsContact O-CB 3.24Å; N1212-T1215 WeakPolarHBondContact O-CB 3.39Å; N1212-T1215 PolarHBondContact O-N 3.32Å; N1212-T1215 PolarHBondContact O-OG1 3.48Å; A1213-T1215 VanDerWaalsContact C-N 3.26Å; A1213-T1215 PolarHBondContact O-N 3.21Å; T1215-H1217 PolarHBondContact O-ND1 2.97Å | ||
| 1216 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 129.4 | -179.8 | -166.7 | 0 | 0 | 0 | 0 | 108.6 | H1137 Q1138 S1159 V1160 W1165 I1168 W1184 G1214 | H1137-V1216 WeakPolarHBondContact O-CA 3.44Å; Q1138-V1216 HydrophobicContact CG-CB 4.27Å; Q1138-V1216 HydrophobicContact CG-CG2 3.77Å; S1159-V1216 CarbonylContact C-O 3.46Å; S1159-V1216 VanDerWaalsContact CA-O 3.32Å; S1159-V1216 WeakPolarHBondContact CA-O 3.27Å; V1160-V1216 HydrophobicContact CB-CB 4.36Å; V1160-V1216 PolarHBondContact N-O 2.76Å; V1160-V1216 PolarHBondContact O-N 3.32Å; W1165-V1216 HydrophobicContact CB-CG2 3.67Å; I1168-V1216 HydrophobicContact CD1-CB 4.19Å; I1168-V1216 HydrophobicContact CD1-CG1 3.91Å; I1168-V1216 HydrophobicContact CD1-CG2 4.35Å; W1184-V1216 HydrophobicContact CH2-CG1 3.72Å; W1184-V1216 HydrophobicContact CZ3-CG1 4.45Å; G1214-V1216 PolarHBondContact O-N 3.23Å |
| 1217 | H | 98.7 | Very high | 98.2 | Very high | 7 Ų | 7 | 10 Ų | 10 | 3% | 0.032 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 159.4 | -175.5 | 72.5 | -79.4 | 0 | 0 | 0 | 114.4 | G1136 H1137 E1139 W1157 F1158 T1215 | G1136-H1217 WeakPolarHBondContact CA-O 3.49Å; H1137-H1217 AromaticContact CE1-CD2 3.9Å; H1137-H1217 AromaticContact CE1-CE1 3.51Å; H1137-H1217 AromaticContact CE1-NE2 3.28Å; H1137-H1217 PolarHBondContact CE1-NE2 3.07Å; H1137-H1217 VanDerWaalsContact CE1-NE2 3.28Å; H1137-H1217 PolarHBondContact N-O 3.34Å; H1137-H1217 VanDerWaalsContact N-O 3.13Å; H1137-H1217 PolarHBondContact ND1-O 2.95Å; H1137-H1217 AromaticContact NE2-CE1 3.52Å; H1137-H1217 AromaticContact NE2-NE2 3.6Å; H1137-H1217 PolarHBondContact O-N 3.03Å; E1139-H1217 IonicContact OE1-CE1 3.85Å; E1139-H1217 PolarHBondContact OE1-CE1 3.37Å; E1139-H1217 IonicContact OE1-NE2 2.74Å; W1157-H1217 AromaticContact CZ3-CD2 3.55Å; W1157-H1217 AromaticContact CZ3-NE2 3.97Å; F1158-H1217 VanDerWaalsContact O-CA 3.26Å; F1158-H1217 WeakPolarHBondContact O-CA 3.41Å; F1158-H1217 VanDerWaalsContact O-CB 3.29Å; F1158-H1217 WeakPolarHBondContact O-CB 3.43Å; T1215-H1217 PolarHBondContact O-ND1 2.97Å |
| 1218 | W | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 154.1 | 174.2 | 54.9 | 106.3 | 0 | 0 | 0 | 110.8 | F1158 V1160 W1185 P1186 L1188 L1191 V1198 | F1158-W1218 HydrophobicContact CB-CD2 3.67Å; F1158-W1218 HydrophobicContact CB-CE3 4.35Å; F1158-W1218 HydrophobicContact CB-CG 3.97Å; F1158-W1218 HydrophobicContact CB-CH2 4.25Å; F1158-W1218 HydrophobicContact CB-CZ2 3.6Å; F1158-W1218 AromaticContact CD2-CD1 3.53Å; F1158-W1218 HydrophobicContact CD2-CG 4.34Å; F1158-W1218 AromaticContact CD2-NE1 3.51Å; F1158-W1218 AromaticContact CG-CD1 3.84Å; F1158-W1218 HydrophobicContact CG-CD2 4.48Å; F1158-W1218 AromaticContact CG-CE2 3.8Å; F1158-W1218 HydrophobicContact CG-CG 4.49Å; F1158-W1218 HydrophobicContact CG-CZ2 4.24Å; F1158-W1218 AromaticContact CG-NE1 3.38Å; F1158-W1218 PolarHBondContact N-O 3.03Å; F1158-W1218 PolarHBondContact O-N 3.49Å; V1160-W1218 HydrophobicContact CG2-CH2 3.76Å; V1160-W1218 HydrophobicContact CG2-CZ3 3.94Å; W1185-W1218 AromaticContact CD2-CD1 3.9Å; W1185-W1218 AromaticContact CE2-CD1 3.69Å; W1185-W1218 HydrophobicContact CE3-CB 4.28Å; W1185-W1218 AromaticContact CE3-CD1 3.98Å; W1185-W1218 HydrophobicContact CE3-CG 4.47Å; W1185-W1218 HydrophobicContact CH2-CB 4.41Å; W1185-W1218 AromaticContact CH2-CD1 3.69Å; W1185-W1218 HydrophobicContact CH2-CG 4.47Å; W1185-W1218 AromaticContact CZ2-CD1 3.61Å; W1185-W1218 HydrophobicContact CZ3-CB 3.98Å; W1185-W1218 AromaticContact CZ3-CD1 3.88Å; W1185-W1218 HydrophobicContact CZ3-CG 4.35Å; P1186-W1218 HydrophobicContact CB-CH2 4.1Å; P1186-W1218 HydrophobicContact CB-CZ2 3.84Å; P1186-W1218 HydrophobicContact CG-CD2 3.97Å; P1186-W1218 HydrophobicContact CG-CE3 3.94Å; P1186-W1218 HydrophobicContact CG-CH2 3.83Å; P1186-W1218 HydrophobicContact CG-CZ2 3.78Å; P1186-W1218 HydrophobicContact CG-CZ3 3.89Å; L1188-W1218 HydrophobicContact CD2-CZ2 3.95Å; L1191-W1218 HydrophobicContact CD1-CH2 3.58Å; L1191-W1218 HydrophobicContact CD1-CZ2 3.87Å; V1198-W1218 HydrophobicContact CG1-CH2 4.36Å; V1198-W1218 HydrophobicContact CG1-CZ2 4.35Å |
| 1219 | V | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 10.4 Ų | 10.4 | 2% | 0.024 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 135.7 | -166.1 | -166.9 | 0 | 0 | 0 | 0 | 111.4 | R1133 T1134 C1155 E1156 W1157 | R1133-V1219 WeakPolarHBondContact CA-O 3.32Å; T1134-V1219 PolarHBondContact N-O 2.76Å; T1134-V1219 PolarHBondContact O-N 2.86Å; C1155-V1219 HydrophobicContact CB-CG1 4.2Å; E1156-V1219 WeakPolarHBondContact O-CA 3.44Å; E1156-V1219 WeakPolarHBondContact O-CG1 3.5Å; W1157-V1219 HydrophobicContact CD2-CB 4.4Å; W1157-V1219 HydrophobicContact CD2-CG1 3.95Å; W1157-V1219 HydrophobicContact CD2-CG2 3.59Å; W1157-V1219 HydrophobicContact CE3-CG2 3.41Å; W1157-V1219 VanDerWaalsContact CE3-CG2 3.41Å; W1157-V1219 HydrophobicContact CG-CG1 4.08Å; W1157-V1219 HydrophobicContact CG-CG2 4.28Å; W1157-V1219 HydrophobicContact CH2-CG2 3.89Å; W1157-V1219 HydrophobicContact CZ2-CG1 4.23Å; W1157-V1219 HydrophobicContact CZ2-CG2 4.06Å; W1157-V1219 HydrophobicContact CZ3-CG2 3.56Å |
| 1220 | Q | 98.4 | Very high | 98.2 | Very high | 7 Ų | 7 | 10.5 Ų | 10.5 | 3% | 0.033 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 135.7 | 171 | 174.2 | 162.6 | -38.1 | 0 | 0 | 111.3 | Q940 P942 S1132 R1133 C1155 E1156 W1185 | Q940-Q1220 PolarHBondContact O-NE2 3.26Å; P942-Q1220 HydrophobicContact CB-CB 4.44Å; P942-Q1220 HydrophobicContact CG-CG 4.35Å; S1132-Q1220 WeakPolarHBondContact O-CA 3.29Å; R1133-Q1220 HydrophobicContact CG-CB 4.32Å; R1133-Q1220 HydrophobicContact CG-CG 4.44Å; R1133-Q1220 VanDerWaalsContact CZ-OE1 3.29Å; C1155-Q1220 CarbonylContact C-O 3.58Å; C1155-Q1220 WeakPolarHBondContact CA-O 3.3Å; E1156-Q1220 PolarHBondContact N-O 2.73Å; E1156-Q1220 PolarHBondContact O-N 3.43Å; W1185-Q1220 HydrophobicContact CH2-CB 3.83Å; W1185-Q1220 HydrophobicContact CZ2-CB 4.23Å |
| 1221 | A | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 129.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K1128 V1129 G1131 S1132 | K1128-A1221 HydrophobicContact CB-CB 3.78Å; K1128-A1221 HydrophobicContact CD-CB 3.81Å; K1128-A1221 HydrophobicContact CG-CB 4.41Å; V1129-A1221 WeakPolarHBondContact O-CB 3.31Å; G1131-A1221 PolarHBondContact N-O 3.4Å; S1132-A1221 PolarHBondContact O-N 3.35Å |
| 1222 | I | 97.4 | Very high | 98.2 | Very high | 74 Ų | 74 | 10.8 Ų | 10.8 | 38% | 0.379 | 6% | 0.058 | S | C | . | . | S | Bend | trans | -89.1 | -42.6 | 171.2 | -55.1 | -55.2 | 0 | 0 | 0 | 109.8 | P942 P1130 D1154 E1156 | P942-I1222 HydrophobicContact CG-CD1 3.57Å; P1130-I1222 WeakPolarHBondContact CB-O 3.43Å; D1154-I1222 HydrophobicContact CB-CB 4.32Å; D1154-I1222 PolarHBondContact O-N 3.41Å; E1156-I1222 HydrophobicContact CB-CD1 3.78Å; E1156-I1222 HydrophobicContact CB-CG1 3.91Å |
| 1223 | G | 95.1 | Very high | 98.1 | Very high | 12 Ų | 12 | 9.5 Ų | 9.5 | 12% | 0.124 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -114.5 | 177.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | D1154 C1225 | D1154-G1223 PolarHBondContact O-N 3.34Å; G1223-C1225 PolarHBondContact O-N 3.37Å; G1223-C1225 PolarHBondContact O-SG 3.15Å; G1223-C1225 VanDerWaalsContact O-SG 3.39Å |
| 1224 | W | 98 | Very high | 97.9 | Very high | 56 Ų | 56 | 9.5 Ų | 9.5 | 21% | 0.212 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -68.5 | 115.2 | 165.4 | -61.7 | -99.2 | 0 | 0 | 0 | 109 | S975 F976 A979 P1130 P1152 G1153 | S975-W1224 PolarHBondContact OG-NE1 2.95Å; F976-W1224 HydrophobicContact CB-CD2 4.14Å; F976-W1224 HydrophobicContact CB-CG 4.22Å; F976-W1224 HydrophobicContact CB-CZ2 4.5Å; F976-W1224 AromaticContact CD2-CD2 3.71Å; F976-W1224 HydrophobicContact CD2-CD2 3.71Å; F976-W1224 AromaticContact CD2-CE3 3.58Å; F976-W1224 HydrophobicContact CD2-CE3 3.58Å; F976-W1224 HydrophobicContact CD2-CG 4.31Å; F976-W1224 HydrophobicContact CD2-CH2 4.27Å; F976-W1224 HydrophobicContact CD2-CZ2 4.36Å; F976-W1224 AromaticContact CD2-CZ3 3.89Å; F976-W1224 HydrophobicContact CD2-CZ3 3.89Å; F976-W1224 HydrophobicContact CE2-CE3 4.13Å; F976-W1224 HydrophobicContact CE2-CZ3 4.35Å; F976-W1224 HydrophobicContact CG-CD2 4.35Å; A979-W1224 HydrophobicContact CB-CH2 3.41Å; A979-W1224 VanDerWaalsContact CB-CH2 3.41Å; A979-W1224 HydrophobicContact CB-CZ2 3.62Å; P1130-W1224 VanDerWaalsContact CD-CD2 3.49Å; P1130-W1224 HydrophobicContact CG-CD2 3.81Å; P1130-W1224 HydrophobicContact CG-CE3 3.81Å; P1130-W1224 HydrophobicContact CG-CH2 3.7Å; P1130-W1224 HydrophobicContact CG-CZ2 3.72Å; P1130-W1224 HydrophobicContact CG-CZ3 3.76Å; P1152-W1224 VanDerWaalsContact CD-O 3.32Å; P1152-W1224 WeakPolarHBondContact CD-O 3.35Å; G1153-W1224 WeakPolarHBondContact CA-O 3.2Å; G1153-W1224 PolarHBondContact N-O 3.47Å |
| 1225 | C | 98.2 | Very high | 97.7 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.007 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 161.1 | -176.6 | 54 | 0 | 0 | 0 | 0 | 111.2 | Q972 K1128 G1151 G1153 C1155 G1223 | Q972-C1225 PolarHBondContact NE2-O 2.97Å; K1128-C1225 WeakPolarHBondContact CA-O 3.36Å; K1128-C1225 VanDerWaalsContact CB-O 3.28Å; K1128-C1225 WeakPolarHBondContact CB-O 3.34Å; K1128-C1225 PolarHBondContact N-O 3Å; K1128-C1225 PolarHBondContact O-N 3.44Å; G1151-C1225 WeakPolarHBondContact O-CA 3.47Å; G1153-C1225 VanDerWaalsContact O-CB 3.29Å; G1153-C1225 WeakPolarHBondContact O-CB 3.43Å; C1155-C1225 VanDerWaalsContact SG-SG 3.65Å; G1223-C1225 PolarHBondContact O-N 3.37Å; G1223-C1225 PolarHBondContact O-SG 3.15Å; G1223-C1225 VanDerWaalsContact O-SG 3.39Å |
| 1226 | N | 98.5 | Very high | 97.5 | Very high | 4 Ų | 4 | 13.4 Ų | 13.4 | 2% | 0.021 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 150.1 | 163.4 | -60.1 | -12.4 | 0 | 0 | 0 | 109 | F918 T920 Q972 L1125 Y1126 L1127 N1149 I1150 G1151 | F918-N1226 PolarHBondContact O-ND2 2.95Å; T920-N1226 PolarHBondContact N-ND2 2.84Å; T920-N1226 PolarHBondContact OG1-ND2 3.49Å; T920-N1226 PolarHBondContact OG1-OD1 3.42Å; Q972-N1226 PolarHBondContact NE2-OD1 3.06Å; L1125-N1226 HydrophobicContact CD1-CB 4.29Å; Y1126-N1226 CarbonylContact O-C 3.59Å; Y1126-N1226 WeakPolarHBondContact O-CA 3.47Å; L1127-N1226 HydrophobicContact CD2-CB 4.4Å; L1127-N1226 VanDerWaalsContact CD2-CG 3.49Å; L1127-N1226 WeakPolarHBondContact CD2-ND2 3.35Å; L1127-N1226 WeakPolarHBondContact CD2-OD1 3.22Å; N1149-N1226 PolarHBondContact OD1-O 3.11Å; I1150-N1226 HydrophobicContact CB-CB 4Å; I1150-N1226 VanDerWaalsContact CB-O 3.26Å; I1150-N1226 WeakPolarHBondContact CB-O 3.37Å; I1150-N1226 HydrophobicContact CG1-CB 4.11Å; I1150-N1226 WeakPolarHBondContact CG1-O 3.33Å; I1150-N1226 HydrophobicContact CG2-CB 4.46Å; I1150-N1226 PolarHBondContact N-O 3.32Å; G1151-N1226 PolarHBondContact O-N 3.33Å |
| 1227 | N | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 152.4 | 166.6 | -63.7 | 79.2 | 0 | 0 | 0 | 109.4 | Y1126 K1128 N1147 I1148 C1155 Q1203 | Y1126-N1227 HydrophobicContact CD2-CB 4.34Å; Y1126-N1227 PolarHBondContact N-O 3.27Å; Y1126-N1227 PolarHBondContact O-N 2.9Å; K1128-N1227 WeakPolarHBondContact CE-OD1 3.43Å; K1128-N1227 PolarHBondContact NZ-OD1 3.29Å; N1147-N1227 PolarHBondContact OD1-ND2 3.23Å; I1148-N1227 VanDerWaalsContact O-CA 3.29Å; I1148-N1227 WeakPolarHBondContact O-CA 3.44Å; C1155-N1227 PolarHBondContact SG-OD1 2.65Å; C1155-N1227 VanDerWaalsContact SG-OD1 3.35Å; Q1203-N1227 PolarHBondContact OE1-ND2 3.45Å |
| 1228 | I | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 142.5 | 163.4 | 56.5 | -179.8 | 0 | 0 | 0 | 109.4 | F918 L1081 L1094 V1123 Q1124 L1125 N1147 I1148 I1150 W1230 | F918-I1228 HydrophobicContact CD1-CD1 4.12Å; F918-I1228 HydrophobicContact CD1-CG2 3.57Å; F918-I1228 HydrophobicContact CD2-CD1 4.48Å; F918-I1228 HydrophobicContact CE1-CD1 3.77Å; F918-I1228 HydrophobicContact CE1-CG2 3.89Å; F918-I1228 HydrophobicContact CE2-CD1 4.18Å; F918-I1228 HydrophobicContact CG-CD1 4.44Å; F918-I1228 HydrophobicContact CG-CG2 4.33Å; F918-I1228 HydrophobicContact CZ-CD1 3.81Å; L1081-I1228 HydrophobicContact CD1-CG2 4.49Å; L1094-I1228 HydrophobicContact CD1-CD1 4.26Å; L1094-I1228 HydrophobicContact CD2-CD1 3.68Å; V1123-I1228 HydrophobicContact CG1-CB 3.91Å; V1123-I1228 HydrophobicContact CG1-CG2 4.17Å; Q1124-I1228 CarbonylContact O-C 3.58Å; Q1124-I1228 WeakPolarHBondContact O-CA 3.47Å; L1125-I1228 HydrophobicContact CD1-CG2 4.12Å; N1147-I1228 WeakPolarHBondContact CA-O 3.43Å; I1148-I1228 HydrophobicContact CB-CD1 4.44Å; I1148-I1228 HydrophobicContact CB-CG1 3.94Å; I1148-I1228 PolarHBondContact N-O 2.81Å; I1148-I1228 PolarHBondContact O-N 3.31Å; I1150-I1228 HydrophobicContact CD1-CD1 4.07Å; I1150-I1228 HydrophobicContact CD1-CG1 4.05Å; I1150-I1228 HydrophobicContact CD1-CG2 4.48Å; I1228-W1230 HydrophobicContact CB-CZ3 4.41Å; I1228-W1230 HydrophobicContact CD1-CZ3 4.04Å; I1228-W1230 HydrophobicContact CG1-CZ3 4.04Å |
| 1229 | A | 98.5 | Very high | 97.1 | Very high | 12 Ų | 12 | 19.3 Ų | 19.3 | 10% | 0.099 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 159.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q1124 Y1126 V1146 N1147 | Q1124-A1229 PolarHBondContact N-O 3.49Å; Q1124-A1229 PolarHBondContact O-N 3.4Å; Y1126-A1229 HydrophobicContact CE2-CB 3.82Å; V1146-A1229 WeakPolarHBondContact O-CA 3.2Å; V1146-A1229 VanDerWaalsContact O-CB 3.29Å; V1146-A1229 WeakPolarHBondContact O-CB 3.44Å; N1147-A1229 HydrophobicContact CB-CB 4.23Å |
| 1230 | W | 98.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 168.9 | 171.9 | 56.9 | 90.2 | 0 | 0 | 0 | 109.4 | L1094 L1097 V1101 V1103 G1119 V1123 V1146 I1148 I1228 | L1094-W1230 HydrophobicContact CD1-CH2 4.11Å; L1094-W1230 HydrophobicContact CD1-CZ3 3.89Å; L1094-W1230 HydrophobicContact CD2-CH2 4.11Å; L1094-W1230 HydrophobicContact CD2-CZ3 4.44Å; L1097-W1230 HydrophobicContact CD1-CH2 3.72Å; L1097-W1230 HydrophobicContact CD1-CZ2 3.6Å; V1101-W1230 WeakPolarHBondContact O-CZ2 3.27Å; V1101-W1230 PolarHBondContact O-NE1 3.39Å; V1103-W1230 HydrophobicContact CG2-CD2 3.63Å; V1103-W1230 HydrophobicContact CG2-CE3 4.12Å; V1103-W1230 HydrophobicContact CG2-CG 3.85Å; V1103-W1230 HydrophobicContact CG2-CZ2 4.2Å; G1119-W1230 WeakPolarHBondContact O-CA 3.37Å; V1123-W1230 HydrophobicContact CB-CE3 4.37Å; V1123-W1230 HydrophobicContact CG1-CE3 4.03Å; V1123-W1230 HydrophobicContact CG1-CZ3 4.33Å; V1123-W1230 HydrophobicContact CG2-CD2 4.41Å; V1123-W1230 HydrophobicContact CG2-CE3 3.81Å; V1123-W1230 HydrophobicContact CG2-CZ3 4.29Å; V1146-W1230 HydrophobicContact CB-CD2 4.43Å; V1146-W1230 HydrophobicContact CB-CZ2 4.19Å; V1146-W1230 HydrophobicContact CG1-CD2 4.48Å; V1146-W1230 HydrophobicContact CG1-CH2 4.07Å; V1146-W1230 HydrophobicContact CG1-CZ2 3.5Å; V1146-W1230 VanDerWaalsContact CG1-CZ2 3.5Å; V1146-W1230 PolarHBondContact N-O 2.83Å; V1146-W1230 PolarHBondContact O-N 3.24Å; V1146-W1230 VanDerWaalsContact O-N 3.15Å; I1148-W1230 HydrophobicContact CD1-CH2 3.99Å; I1228-W1230 HydrophobicContact CB-CZ3 4.41Å; I1228-W1230 HydrophobicContact CD1-CZ3 4.04Å; I1228-W1230 HydrophobicContact CG1-CZ3 4.04Å |
| 1231 | N | 98.5 | Very high | 97 | Very high | 6 Ų | 6 | 21.9 Ų | 21.9 | 3% | 0.032 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 157.1 | 176.1 | -63.4 | 104.1 | 0 | 0 | 0 | 112.5 | L1110 G1119 L1120 E1139 F1143 C1144 | L1110-N1231 HydrophobicContact CD1-CB 3.55Å; G1119-N1231 PolarHBondContact O-OD1 3.46Å; L1120-N1231 WeakPolarHBondContact CA-OD1 3.38Å; L1120-N1231 HydrophobicContact CB-CB 4.3Å; L1120-N1231 WeakPolarHBondContact CG-OD1 3.27Å; L1120-N1231 WeakPolarHBondContact O-CA 3.47Å; L1120-N1231 PolarHBondContact O-N 3.05Å; E1139-N1231 VanDerWaalsContact CD-ND2 3.27Å; E1139-N1231 PolarHBondContact OE2-ND2 2.98Å; F1143-N1231 HydrophobicContact CB-CB 4.21Å; C1144-N1231 CarbonylContact O-C 3.5Å; C1144-N1231 WeakPolarHBondContact O-CA 3.48Å; C1144-N1231 WeakPolarHBondContact O-CB 3.49Å; C1144-N1231 PolarHBondContact O-ND2 3.07Å; C1144-N1231 VanDerWaalsContact O-ND2 3.17Å |
| 1232 | V | 98 | Very high | 96.9 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.012 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 140.8 | 168.3 | -59.4 | 0 | 0 | 0 | 0 | 110.5 | C1144 V1146 W1210 Q1239 | C1144-V1232 HydrophobicContact CB-CG2 3.9Å; C1144-V1232 WeakPolarHBondContact CB-O 3.39Å; C1144-V1232 PolarHBondContact N-O 2.97Å; C1144-V1232 VanDerWaalsContact N-O 3.07Å; C1144-V1232 PolarHBondContact O-N 2.93Å; V1146-V1232 HydrophobicContact CG2-CG1 4.27Å; V1146-V1232 HydrophobicContact CG2-CG2 4.3Å; W1210-V1232 HydrophobicContact CH2-CG2 3.49Å; W1210-V1232 VanDerWaalsContact CH2-CG2 3.49Å; W1210-V1232 HydrophobicContact CZ3-CG2 3.53Å; V1232-Q1239 PolarHBondContact O-OE1 2.96Å |
| 1233 | G | 96.9 | Very high | 97 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -102 | 99.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | N1108 M1109 | N1108-G1233 CarbonylContact C-O 3.48Å; N1108-G1233 WeakPolarHBondContact CA-O 3.41Å; N1108-G1233 PolarHBondContact OD1-N 2.88Å; M1109-G1233 WeakPolarHBondContact CG-O 3.45Å; M1109-G1233 PolarHBondContact N-O 3.2Å | ||
| 1234 | C | 94.1 | Very high | 97.1 | Very high | 7 Ų | 7 | 18.3 Ų | 18.3 | 5% | 0.047 | 9% | 0.091 | C | C | . | . | B | Isolated β-bridge | trans | -60.2 | 136.3 | 176 | -55.6 | 0 | 0 | 0 | 0 | 110.8 | F897 M1109 C1144 W1210 T1236 Q1239 | F897-C1234 HydrophobicContact CE1-CB 4.12Å; F897-C1234 WeakPolarHBondContact CE1-SG 3.26Å; F897-C1234 HydrophobicContact CE2-CB 4.31Å; F897-C1234 HydrophobicContact CZ-CB 3.96Å; M1109-C1234 WeakPolarHBondContact CE-O 3.37Å; C1144-C1234 VanDerWaalsContact SG-SG 3.6Å; W1210-C1234 VanDerWaalsContact CH2-SG 3.51Å; C1234-T1236 HydrophobicContact CB-CG2 4.24Å; C1234-T1236 PolarHBondContact O-N 3.43Å; C1234-Q1239 HydrophobicContact CB-CB 4.36Å; C1234-Q1239 WeakPolarHBondContact O-CB 3.34Å; C1234-Q1239 WeakPolarHBondContact O-CG 3.34Å |
| 1235 | M | 93.1 | Very high | 96.9 | Very high | 44 Ų | 44 | 19 Ų | 19 | 22% | 0.217 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -74.9 | 66.9 | 179.8 | -155.7 | 63.1 | 56.5 | 0 | 0 | 111.9 | M1109 L1268 I1272 L1279 | M1109-M1235 HydrophobicContact CE-SD 3.96Å; M1109-M1235 HydrophobicContact CG-CE 3.66Å; M1109-M1235 HydrophobicContact CG-SD 4.02Å; M1235-L1268 HydrophobicContact CE-CD2 4.08Å; M1235-L1268 HydrophobicContact SD-CD2 4.41Å; M1235-I1272 HydrophobicContact CE-CD1 3.41Å; M1235-I1272 VanDerWaalsContact CE-CD1 3.41Å; M1235-I1272 HydrophobicContact SD-CD1 4.03Å; M1235-L1279 HydrophobicContact CG-CD2 3.86Å; M1235-L1279 HydrophobicContact SD-CD2 3.97Å |
| 1236 | T | 94.5 | Very high | 96.9 | Very high | 43 Ų | 43 | 19.4 Ų | 19.4 | 26% | 0.264 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -140 | 148.4 | -174.9 | 67.7 | 0 | 0 | 0 | 0 | 111.8 | F897 C1234 R1238 Q1239 Y1240 | F897-T1236 HydrophobicContact CD2-CG2 4.23Å; F897-T1236 HydrophobicContact CE2-CG2 4.38Å; C1234-T1236 HydrophobicContact CB-CG2 4.24Å; C1234-T1236 PolarHBondContact O-N 3.43Å; T1236-R1238 VanDerWaalsContact C-N 3.32Å; T1236-R1238 PolarHBondContact O-N 3.49Å; T1236-Q1239 PolarHBondContact O-N 2.91Å; T1236-Q1239 WeakPolarHBondContact OG1-CB 3.39Å; T1236-Q1239 PolarHBondContact OG1-N 3.39Å; T1236-Y1240 PolarHBondContact O-N 3.42Å |
| 1237 | A | 95.8 | Very high | 96.9 | Very high | 25 Ų | 25 | 19.8 Ų | 19.8 | 21% | 0.207 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -52.5 | -45.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q1239 Y1240 Q1241 D1276 L1279 L1282 | A1237-Q1239 PolarHBondContact O-N 3.34Å; A1237-Y1240 PolarHBondContact O-N 3.08Å; A1237-Q1241 WeakPolarHBondContact O-CB 3.34Å; A1237-Q1241 PolarHBondContact O-N 2.95Å; A1237-D1276 PolarHBondContact N-OD2 3.4Å; A1237-L1279 HydrophobicContact CB-CB 4.29Å; A1237-L1282 HydrophobicContact CB-CD1 4.14Å |
| 1238 | R | 95.4 | Very high | 96.7 | Very high | 104 Ų | 104 | 19.8 Ų | 19.8 | 39% | 0.392 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -65.2 | -38.7 | -176.7 | -174.4 | 56.9 | 174.6 | 179.2 | 2.5 | 113.2 | E1162 T1236 Q1241 L1242 | E1162-R1238 IonicContact OE1-NH2 3.06Å; E1162-R1238 IonicContact OE2-CZ 2.65Å; E1162-R1238 IonicContact OE2-NH2 3.34Å; E1162-R1238 PolarHBondContact OE2-NH2 3.07Å; T1236-R1238 VanDerWaalsContact C-N 3.32Å; T1236-R1238 PolarHBondContact O-N 3.49Å; R1238-Q1241 VanDerWaalsContact NH1-CD 3.28Å; R1238-L1242 HydrophobicContact CG-CD1 4.1Å; R1238-L1242 WeakPolarHBondContact O-CB 3.23Å; R1238-L1242 WeakPolarHBondContact O-CG 3.38Å; R1238-L1242 PolarHBondContact O-N 3.2Å; R1238-L1242 VanDerWaalsContact O-N 3.14Å |
| 1239 | Q | 97.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.009 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.2 | -45.7 | 175.3 | 172.5 | 64.4 | 99.6 | 0 | 0 | 110.7 | M1109 N1142 C1144 V1232 C1234 T1236 A1237 A1243 | M1109-Q1239 HydrophobicContact SD-CG 4.18Å; N1142-Q1239 PolarHBondContact O-NE2 2.92Å; C1144-Q1239 PolarHBondContact SG-OE1 3.03Å; V1232-Q1239 PolarHBondContact O-OE1 2.96Å; C1234-Q1239 HydrophobicContact CB-CB 4.36Å; C1234-Q1239 WeakPolarHBondContact O-CB 3.34Å; C1234-Q1239 WeakPolarHBondContact O-CG 3.34Å; T1236-Q1239 PolarHBondContact O-N 2.91Å; T1236-Q1239 WeakPolarHBondContact OG1-CB 3.39Å; T1236-Q1239 PolarHBondContact OG1-N 3.39Å; A1237-Q1239 PolarHBondContact O-N 3.34Å; Q1239-A1243 WeakPolarHBondContact O-CB 3.23Å; Q1239-A1243 PolarHBondContact O-N 3.2Å |
| 1240 | Y | 98 | Very high | 96.4 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.1 | -44.2 | -178.2 | -173.6 | -90.6 | 0 | 0 | 0 | 112 | M1109 T1236 A1237 L1242 A1243 V1244 M1261 S1265 L1268 L1279 L1282 I1283 T1286 | M1109-Y1240 HydrophobicContact CE-CD2 4.12Å; M1109-Y1240 HydrophobicContact CE-CG 4.48Å; T1236-Y1240 PolarHBondContact O-N 3.42Å; A1237-Y1240 PolarHBondContact O-N 3.08Å; Y1240-L1242 PolarHBondContact O-N 3.33Å; Y1240-A1243 WeakPolarHBondContact O-CB 3.44Å; Y1240-A1243 PolarHBondContact O-N 3.05Å; Y1240-A1243 VanDerWaalsContact O-N 3.15Å; Y1240-V1244 HydrophobicContact CD1-CG2 4.05Å; Y1240-V1244 HydrophobicContact CE1-CG2 3.57Å; Y1240-V1244 PolarHBondContact O-N 3.48Å; Y1240-M1261 HydrophobicContact CD2-CE 4.05Å; Y1240-M1261 HydrophobicContact CE2-CE 3.75Å; Y1240-S1265 PolarHBondContact OH-OG 3.03Å; Y1240-L1268 HydrophobicContact CE2-CD1 4.46Å; Y1240-L1279 VanDerWaalsContact CB-CD1 3.46Å; Y1240-L1279 HydrophobicContact CD1-CD1 4.47Å; Y1240-L1279 HydrophobicContact CD2-CD1 4.3Å; Y1240-L1279 HydrophobicContact CG-CD1 3.84Å; Y1240-L1282 HydrophobicContact CD1-CB 3.61Å; Y1240-L1282 HydrophobicContact CD1-CD1 4.35Å; Y1240-L1282 HydrophobicContact CE1-CB 3.81Å; Y1240-I1283 HydrophobicContact CD1-CG1 4.25Å; Y1240-I1283 HydrophobicContact CD2-CD1 4.3Å; Y1240-I1283 HydrophobicContact CD2-CG1 3.86Å; Y1240-I1283 HydrophobicContact CE1-CG1 3.9Å; Y1240-I1283 HydrophobicContact CE2-CD1 4.27Å; Y1240-I1283 HydrophobicContact CE2-CG1 3.49Å; Y1240-I1283 VanDerWaalsContact CE2-CG1 3.49Å; Y1240-I1283 HydrophobicContact CG-CG1 4.21Å; Y1240-T1286 WeakPolarHBondContact OH-CB 3.42Å; Y1240-T1286 PolarHBondContact OH-OG1 2.99Å |
| 1241 | Q | 96.2 | Very high | 96.2 | Very high | 62 Ų | 62 | 22.1 Ų | 22.1 | 29% | 0.29 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -50.6 | -57.9 | 173.3 | 177.2 | -172.9 | 11.3 | 0 | 0 | 111.2 | A1237 R1238 A1243 V1244 E1245 L1282 | A1237-Q1241 WeakPolarHBondContact O-CB 3.34Å; A1237-Q1241 PolarHBondContact O-N 2.95Å; R1238-Q1241 VanDerWaalsContact NH1-CD 3.28Å; Q1241-A1243 PolarHBondContact O-N 3.49Å; Q1241-A1243 VanDerWaalsContact O-N 3.15Å; Q1241-V1244 PolarHBondContact O-N 3.42Å; Q1241-V1244 VanDerWaalsContact O-N 3.13Å; Q1241-E1245 HydrophobicContact CG-CG 4.33Å; Q1241-E1245 WeakPolarHBondContact CG-OE1 3.47Å; Q1241-E1245 PolarHBondContact NE2-OE1 2.86Å; Q1241-E1245 WeakPolarHBondContact O-CB 3.32Å; Q1241-E1245 WeakPolarHBondContact O-CG 3.48Å; Q1241-E1245 PolarHBondContact O-N 3.2Å; Q1241-L1282 HydrophobicContact CB-CD1 4.1Å |
| 1242 | L | 97.1 | Very high | 96 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.8 | -26.2 | -177.3 | -73.3 | 172.5 | 0 | 0 | 0 | 112.9 | N1142 E1162 A1213 R1238 Y1240 R1246 | N1142-L1242 HydrophobicContact CB-CB 3.88Å; N1142-L1242 PolarHBondContact ND2-O 2.94Å; E1162-L1242 HydrophobicContact CG-CD1 4.12Å; E1162-L1242 HydrophobicContact CG-CD2 4Å; A1213-L1242 HydrophobicContact CB-CD1 3.8Å; A1213-L1242 WeakPolarHBondContact O-CD1 3.43Å; R1238-L1242 HydrophobicContact CG-CD1 4.1Å; R1238-L1242 WeakPolarHBondContact O-CB 3.23Å; R1238-L1242 WeakPolarHBondContact O-CG 3.38Å; R1238-L1242 PolarHBondContact O-N 3.2Å; R1238-L1242 VanDerWaalsContact O-N 3.14Å; Y1240-L1242 PolarHBondContact O-N 3.33Å; L1242-R1246 WeakPolarHBondContact O-CB 3.36Å; L1242-R1246 PolarHBondContact O-N 3.3Å; L1242-R1246 VanDerWaalsContact O-N 3.07Å |
| 1243 | A | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -77.5 | -37.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1141 F1143 Q1239 Y1240 Q1241 Y1247 M1261 | N1141-A1243 WeakPolarHBondContact O-CA 3.41Å; N1141-A1243 WeakPolarHBondContact O-CB 3.49Å; F1143-A1243 HydrophobicContact CD2-CB 4.39Å; F1143-A1243 HydrophobicContact CE2-CB 3.7Å; F1143-A1243 HydrophobicContact CZ-CB 4.15Å; Q1239-A1243 WeakPolarHBondContact O-CB 3.23Å; Q1239-A1243 PolarHBondContact O-N 3.2Å; Y1240-A1243 WeakPolarHBondContact O-CB 3.44Å; Y1240-A1243 PolarHBondContact O-N 3.05Å; Y1240-A1243 VanDerWaalsContact O-N 3.15Å; Q1241-A1243 PolarHBondContact O-N 3.49Å; Q1241-A1243 VanDerWaalsContact O-N 3.15Å; A1243-Y1247 VanDerWaalsContact O-CB 3.31Å; A1243-Y1247 WeakPolarHBondContact O-CB 3.49Å; A1243-Y1247 PolarHBondContact O-N 3.43Å; A1243-M1261 HydrophobicContact CB-CE 3.67Å; A1243-M1261 HydrophobicContact CB-SD 3.86Å |
| 1244 | V | 96.7 | Very high | 95.3 | Very high | 10 Ų | 10 | 25 Ų | 25 | 6% | 0.061 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.8 | -43.2 | 172 | 177.3 | 0 | 0 | 0 | 0 | 111 | L849 L850 Y1240 Q1241 R1246 Y1247 E1248 M1261 | L849-V1244 HydrophobicContact CB-CG1 4.35Å; L850-V1244 HydrophobicContact CD2-CG1 4.2Å; Y1240-V1244 HydrophobicContact CD1-CG2 4.05Å; Y1240-V1244 HydrophobicContact CE1-CG2 3.57Å; Y1240-V1244 PolarHBondContact O-N 3.48Å; Q1241-V1244 PolarHBondContact O-N 3.42Å; Q1241-V1244 VanDerWaalsContact O-N 3.13Å; V1244-R1246 VanDerWaalsContact C-N 3.34Å; V1244-R1246 PolarHBondContact O-N 3.39Å; V1244-Y1247 WeakPolarHBondContact O-CB 3.45Å; V1244-Y1247 PolarHBondContact O-N 3.5Å; V1244-E1248 PolarHBondContact O-N 3.09Å; V1244-M1261 HydrophobicContact CG2-CE 3.82Å |
| 1245 | E | 95.4 | Very high | 95.2 | Very high | 71 Ų | 71 | 26.1 Ų | 26.1 | 33% | 0.332 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -59.6 | -43.1 | 175.2 | -72.8 | 172.1 | 178.5 | 0 | 0 | 111.5 | Q1241 F1249 | Q1241-E1245 HydrophobicContact CG-CG 4.33Å; Q1241-E1245 WeakPolarHBondContact CG-OE1 3.47Å; Q1241-E1245 PolarHBondContact NE2-OE1 2.86Å; Q1241-E1245 WeakPolarHBondContact O-CB 3.32Å; Q1241-E1245 WeakPolarHBondContact O-CG 3.48Å; Q1241-E1245 PolarHBondContact O-N 3.2Å; E1245-F1249 WeakPolarHBondContact O-CB 3.27Å; E1245-F1249 PolarHBondContact O-N 2.89Å |
| 1246 | R | 97.6 | Very high | 95.2 | Very high | 9 Ų | 9 | 28.1 Ų | 28.1 | 3% | 0.034 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.4 | -34.2 | 172 | -177.4 | 50.1 | 47.3 | 76.2 | 2.7 | 112.8 | Q1138 N1142 L1242 V1244 F1249 N1250 | Q1138-R1246 VanDerWaalsContact OE1-CZ 3.27Å; N1142-R1246 HydrophobicContact CB-CB 4.46Å; N1142-R1246 PolarHBondContact OD1-NH1 3.03Å; L1242-R1246 WeakPolarHBondContact O-CB 3.36Å; L1242-R1246 PolarHBondContact O-N 3.3Å; L1242-R1246 VanDerWaalsContact O-N 3.07Å; V1244-R1246 VanDerWaalsContact C-N 3.34Å; V1244-R1246 PolarHBondContact O-N 3.39Å; R1246-F1249 PolarHBondContact O-N 3.23Å; R1246-N1250 WeakPolarHBondContact CD-OD1 2.98Å; R1246-N1250 WeakPolarHBondContact O-CB 3.5Å; R1246-N1250 PolarHBondContact O-N 3.22Å |
| 1247 | Y | 97.3 | Very high | 95.4 | Very high | 12 Ų | 12 | 26.9 Ų | 26.9 | 5% | 0.047 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.3 | -46.5 | 176.6 | 177.2 | -83.9 | 0 | 0 | 0 | 111.7 | L849 A1243 V1244 R1251 S1257 M1261 E1328 | L849-Y1247 HydrophobicContact CD1-CD1 3.62Å; L849-Y1247 HydrophobicContact CD1-CE1 3.53Å; L849-Y1247 HydrophobicContact CD1-CG 4.32Å; L849-Y1247 HydrophobicContact CG-CD1 4.28Å; L849-Y1247 HydrophobicContact CG-CE1 3.98Å; A1243-Y1247 VanDerWaalsContact O-CB 3.31Å; A1243-Y1247 WeakPolarHBondContact O-CB 3.49Å; A1243-Y1247 PolarHBondContact O-N 3.43Å; V1244-Y1247 WeakPolarHBondContact O-CB 3.45Å; V1244-Y1247 PolarHBondContact O-N 3.5Å; Y1247-R1251 PolarHBondContact O-N 3.44Å; Y1247-R1251 VanDerWaalsContact O-N 3.1Å; Y1247-S1257 WeakPolarHBondContact CA-OG 3.14Å; Y1247-S1257 VanDerWaalsContact CD2-OG 3.29Å; Y1247-S1257 WeakPolarHBondContact CD2-OG 3.42Å; Y1247-M1261 HydrophobicContact CD2-CB 3.87Å; Y1247-M1261 HydrophobicContact CD2-CG 3.78Å; Y1247-M1261 HydrophobicContact CE2-CB 4.39Å; Y1247-M1261 HydrophobicContact CG-CB 4.18Å; Y1247-M1261 HydrophobicContact CG-CG 4.06Å; Y1247-E1328 HydrophobicContact CE2-CB 4.26Å; Y1247-E1328 VanDerWaalsContact OH-CB 3.27Å; Y1247-E1328 WeakPolarHBondContact OH-CB 3.32Å |
| 1248 | E | 95.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -73.1 | -36 | 177.5 | -68.3 | -64.5 | 163.7 | 0 | 0 | 112.8 | Y173 G848 L849 L850 P857 V1244 R1251 L1252 | Y173-E1248 WeakPolarHBondContact CE2-OE2 3.42Å; Y173-E1248 PolarHBondContact OH-OE2 2.8Å; G848-E1248 WeakPolarHBondContact CA-OE1 3.27Å; L849-E1248 PolarHBondContact N-OE1 3.5Å; L850-E1248 HydrophobicContact CD1-CB 4.25Å; L850-E1248 HydrophobicContact CD1-CG 4.04Å; L850-E1248 HydrophobicContact CG-CG 4.08Å; P857-E1248 HydrophobicContact CG-CB 3.65Å; V1244-E1248 PolarHBondContact O-N 3.09Å; E1248-R1251 WeakPolarHBondContact O-CB 3.25Å; E1248-R1251 PolarHBondContact O-N 3.21Å; E1248-R1251 IonicContact OE1-NH1 3.2Å; E1248-R1251 WeakPolarHBondContact OE2-CD 3.36Å; E1248-R1251 IonicContact OE2-NH1 2.73Å; E1248-R1251 PolarHBondContact OE2-NH1 3.13Å; E1248-L1252 PolarHBondContact O-N 2.94Å |
| 1249 | F | 95.5 | Very high | 95.5 | Very high | 8 Ų | 8 | 23.2 Ų | 23.2 | 4% | 0.035 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.1 | -37.7 | 173.7 | -171 | -105.6 | 0 | 0 | 0 | 112.8 | P857 P859 W1165 H1169 L1180 E1245 R1246 L1252 R1253 | P857-F1249 HydrophobicContact CB-CB 4.08Å; P857-F1249 HydrophobicContact CB-CD2 4.11Å; P857-F1249 WeakPolarHBondContact O-CD2 3.32Å; P859-F1249 HydrophobicContact CG-CE2 4.2Å; P859-F1249 HydrophobicContact CG-CZ 4.12Å; W1165-F1249 AromaticContact CH2-CD1 3.84Å; W1165-F1249 HydrophobicContact CH2-CD1 3.84Å; W1165-F1249 HydrophobicContact CH2-CD2 4.26Å; W1165-F1249 AromaticContact CH2-CE1 3.64Å; W1165-F1249 HydrophobicContact CH2-CE1 3.64Å; W1165-F1249 HydrophobicContact CH2-CE2 4.11Å; W1165-F1249 HydrophobicContact CH2-CG 4.14Å; W1165-F1249 AromaticContact CH2-CZ 3.79Å; W1165-F1249 HydrophobicContact CH2-CZ 3.79Å; W1165-F1249 HydrophobicContact CZ3-CD1 4.35Å; W1165-F1249 AromaticContact CZ3-CE1 3.81Å; W1165-F1249 HydrophobicContact CZ3-CE1 3.81Å; W1165-F1249 HydrophobicContact CZ3-CZ 4.05Å; H1169-F1249 AromaticContact NE2-CZ 3.9Å; L1180-F1249 HydrophobicContact CD1-CD1 3.97Å; L1180-F1249 HydrophobicContact CD1-CE1 3.82Å; L1180-F1249 HydrophobicContact CD2-CD1 4.29Å; L1180-F1249 HydrophobicContact CD2-CE1 4.18Å; L1180-F1249 HydrophobicContact CG-CE1 4.17Å; E1245-F1249 WeakPolarHBondContact O-CB 3.27Å; E1245-F1249 PolarHBondContact O-N 2.89Å; R1246-F1249 PolarHBondContact O-N 3.23Å; F1249-L1252 HydrophobicContact CD2-CD2 4.26Å; F1249-L1252 HydrophobicContact CE2-CD2 4.43Å; F1249-L1252 PolarHBondContact O-N 3.42Å; F1249-R1253 HydrophobicContact CD1-CG 4.36Å; F1249-R1253 HydrophobicContact CE1-CG 3.95Å; F1249-R1253 HydrophobicContact CE2-CG 4.33Å; F1249-R1253 HydrophobicContact CZ-CG 3.94Å; F1249-R1253 WeakPolarHBondContact O-CB 3.48Å; F1249-R1253 WeakPolarHBondContact O-CG 3.37Å; F1249-R1253 PolarHBondContact O-N 3.49Å |
| 1250 | N | 96 | Very high | 95.5 | Very high | 12 Ų | 12 | 23.6 Ų | 23.6 | 6% | 0.064 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.3 | -49 | 171.4 | -84.3 | -7 | 0 | 0 | 0 | 110.6 | R1246 R1253 G1254 V1255 S1257 | R1246-N1250 WeakPolarHBondContact CD-OD1 2.98Å; R1246-N1250 WeakPolarHBondContact O-CB 3.5Å; R1246-N1250 PolarHBondContact O-N 3.22Å; N1250-R1253 CarbonylContact O-C 3.58Å; N1250-R1253 PolarHBondContact O-N 2.86Å; N1250-R1253 VanDerWaalsContact O-N 3.15Å; N1250-G1254 PolarHBondContact O-N 3.16Å; N1250-V1255 CarbonylContact C-O 3.6Å; N1250-V1255 HydrophobicContact CB-CB 4.34Å; N1250-V1255 WeakPolarHBondContact CB-O 3.3Å; N1250-V1255 PolarHBondContact O-N 3.24Å; N1250-S1257 PolarHBondContact ND2-OG 3.29Å; N1250-S1257 VanDerWaalsContact ND2-OG 3.12Å |
| 1251 | R | 93.5 | Very high | 95.5 | Very high | 43 Ų | 43 | 23.6 Ų | 23.6 | 16% | 0.162 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.4 | -49.9 | 176.8 | 178.7 | -165.1 | 177.1 | 158.7 | 14.5 | 111.9 | Y173 P847 Y1247 E1248 R1253 G1254 I1327 | Y173-R1251 HydrophobicContact CD2-CG 4.11Å; Y173-R1251 HydrophobicContact CE2-CB 4.48Å; Y173-R1251 HydrophobicContact CE2-CG 4.29Å; P847-R1251 VanDerWaalsContact CG-NH2 3.27Å; P847-R1251 PolarHBondContact O-NH1 3.45Å; P847-R1251 PolarHBondContact O-NH2 2.99Å; Y1247-R1251 PolarHBondContact O-N 3.44Å; Y1247-R1251 VanDerWaalsContact O-N 3.1Å; E1248-R1251 WeakPolarHBondContact O-CB 3.25Å; E1248-R1251 PolarHBondContact O-N 3.21Å; E1248-R1251 IonicContact OE1-NH1 3.2Å; E1248-R1251 WeakPolarHBondContact OE2-CD 3.36Å; E1248-R1251 IonicContact OE2-NH1 2.73Å; E1248-R1251 PolarHBondContact OE2-NH1 3.13Å; R1251-R1253 VanDerWaalsContact C-N 3.25Å; R1251-R1253 PolarHBondContact O-N 2.87Å; R1251-G1254 PolarHBondContact O-N 3.23Å; R1251-I1327 HydrophobicContact CG-CD1 4.14Å |
| 1252 | L | 93.2 | Very high | 95.6 | Very high | 19 Ų | 19 | 21 Ų | 21 | 10% | 0.099 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -53.6 | -44.2 | 175.1 | 173.1 | 63.7 | 0 | 0 | 0 | 111.2 | Q169 Q170 Y173 I856 P857 E1248 F1249 G1254 | Q169-L1252 WeakPolarHBondContact CB-O 3.35Å; Q170-L1252 HydrophobicContact CB-CD1 4.41Å; Y173-L1252 HydrophobicContact CD1-CD1 4.25Å; Y173-L1252 HydrophobicContact CD2-CB 3.68Å; Y173-L1252 HydrophobicContact CD2-CD1 4.23Å; Y173-L1252 HydrophobicContact CE2-CB 4.14Å; Y173-L1252 HydrophobicContact CG-CB 4.11Å; Y173-L1252 HydrophobicContact CG-CD1 3.75Å; I856-L1252 HydrophobicContact CG2-CD1 4.3Å; I856-L1252 HydrophobicContact CG2-CD2 3.84Å; P857-L1252 HydrophobicContact CB-CD2 4.49Å; P857-L1252 WeakPolarHBondContact O-CD2 3.33Å; E1248-L1252 PolarHBondContact O-N 2.94Å; F1249-L1252 HydrophobicContact CD2-CD2 4.26Å; F1249-L1252 HydrophobicContact CE2-CD2 4.43Å; F1249-L1252 PolarHBondContact O-N 3.42Å; L1252-G1254 VanDerWaalsContact C-N 3.27Å; L1252-G1254 PolarHBondContact O-N 2.86Å |
| 1253 | R | 91.6 | Very high | 95.5 | Very high | 16 Ų | 16 | 21.1 Ų | 21.1 | 6% | 0.06 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 3.6 | 179.6 | -66.5 | -69.2 | -69.2 | -177.6 | -18.1 | 114.7 | Q169 E1173 D1178 L1180 F1249 N1250 R1251 V1255 | Q169-R1253 PolarHBondContact NE2-O 2.64Å; Q169-R1253 VanDerWaalsContact OE1-NH1 3.11Å; E1173-R1253 IonicContact OE1-CZ 2.77Å; E1173-R1253 IonicContact OE1-NH2 3.79Å; E1173-R1253 PolarHBondContact OE1-NH2 2.98Å; D1178-R1253 IonicContact OD2-CZ 2.67Å; D1178-R1253 IonicContact OD2-NE 3.99Å; D1178-R1253 IonicContact OD2-NH2 2.63Å; D1178-R1253 PolarHBondContact OD2-NH2 3.05Å; L1180-R1253 HydrophobicContact CD1-CB 3.76Å; L1180-R1253 HydrophobicContact CD1-CG 3.87Å; F1249-R1253 HydrophobicContact CD1-CG 4.36Å; F1249-R1253 HydrophobicContact CE1-CG 3.95Å; F1249-R1253 HydrophobicContact CE2-CG 4.33Å; F1249-R1253 HydrophobicContact CZ-CG 3.94Å; F1249-R1253 WeakPolarHBondContact O-CB 3.48Å; F1249-R1253 WeakPolarHBondContact O-CG 3.37Å; F1249-R1253 PolarHBondContact O-N 3.49Å; N1250-R1253 CarbonylContact O-C 3.58Å; N1250-R1253 PolarHBondContact O-N 2.86Å; N1250-R1253 VanDerWaalsContact O-N 3.15Å; R1251-R1253 VanDerWaalsContact C-N 3.25Å; R1251-R1253 PolarHBondContact O-N 2.87Å; R1253-V1255 VanDerWaalsContact C-N 3.28Å; R1253-V1255 HydrophobicContact CB-CG2 4.11Å; R1253-V1255 PolarHBondContact O-N 3.09Å |
| 1254 | G | 89.2 | Confident | 95.5 | Very high | 34 Ų | 34 | 21.1 Ų | 21.1 | 35% | 0.351 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 27.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N1250 R1251 L1252 | N1250-G1254 PolarHBondContact O-N 3.16Å; R1251-G1254 PolarHBondContact O-N 3.23Å; L1252-G1254 VanDerWaalsContact C-N 3.27Å; L1252-G1254 PolarHBondContact O-N 2.86Å |
| 1255 | V | 91.8 | Very high | 95.5 | Very high | 30 Ų | 30 | 20.7 Ų | 20.7 | 18% | 0.182 | 11% | 0.111 | C | C | . | . | P | Polyproline II helix | trans | -103.9 | 136.2 | -179.2 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | L1180 T1181 N1250 R1253 S1257 | L1180-V1255 HydrophobicContact CB-CG2 4.48Å; L1180-V1255 HydrophobicContact CD1-CG2 4.03Å; T1181-V1255 HydrophobicContact CG2-CG1 4.26Å; T1181-V1255 HydrophobicContact CG2-CG2 4.05Å; N1250-V1255 CarbonylContact C-O 3.6Å; N1250-V1255 HydrophobicContact CB-CB 4.34Å; N1250-V1255 WeakPolarHBondContact CB-O 3.3Å; N1250-V1255 PolarHBondContact O-N 3.24Å; R1253-V1255 VanDerWaalsContact C-N 3.28Å; R1253-V1255 HydrophobicContact CB-CG2 4.11Å; R1253-V1255 PolarHBondContact O-N 3.09Å; V1255-S1257 PolarHBondContact O-N 3.49Å |
| 1256 | K | 94.3 | Very high | 95.6 | Very high | 86 Ų | 86 | 17.3 Ų | 17.3 | 37% | 0.374 | 10% | 0.095 | S | C | . | . | P | Polyproline II helix | trans | -65.3 | 126.1 | 173.6 | -177 | 158.4 | 177.2 | 165.7 | 0 | 112 | S1321 E1326 | K1256-S1321 PolarHBondContact NZ-OG 2.97Å; K1256-E1326 HydrophobicContact CB-CB 3.89Å; K1256-E1326 HydrophobicContact CB-CG 4.44Å; K1256-E1326 WeakPolarHBondContact CB-OE2 3.43Å; K1256-E1326 HydrophobicContact CD-CB 4.22Å; K1256-E1326 HydrophobicContact CD-CG 4.47Å; K1256-E1326 HydrophobicContact CG-CB 4.25Å |
| 1257 | S | 97.4 | Very high | 95.5 | Very high | 17 Ų | 17 | 18.5 Ų | 18.5 | 12% | 0.119 | 10% | 0.101 | C | C | . | . | P | Polyproline II helix | trans | -70.9 | 125 | 159.2 | -73.6 | 0 | 0 | 0 | 0 | 109.8 | N1141 Y1247 N1250 V1255 | N1141-S1257 PolarHBondContact ND2-OG 2.84Å; N1141-S1257 VanDerWaalsContact ND2-OG 3.12Å; Y1247-S1257 WeakPolarHBondContact CA-OG 3.14Å; Y1247-S1257 VanDerWaalsContact CD2-OG 3.29Å; Y1247-S1257 WeakPolarHBondContact CD2-OG 3.42Å; N1250-S1257 PolarHBondContact ND2-OG 3.29Å; N1250-S1257 VanDerWaalsContact ND2-OG 3.12Å; V1255-S1257 PolarHBondContact O-N 3.49Å |
| 1258 | V | 96 | Very high | 95.4 | Very high | 53 Ų | 53 | 17.9 Ų | 17.9 | 32% | 0.321 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -77.4 | -31.7 | 177.9 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | L1120 N1140 N1141 | L1120-V1258 HydrophobicContact CD1-CG1 3.87Å; L1120-V1258 HydrophobicContact CD2-CB 4.32Å; L1120-V1258 HydrophobicContact CD2-CG1 3.86Å; N1140-V1258 HydrophobicContact CB-CB 4.34Å; N1140-V1258 WeakPolarHBondContact OD1-CG2 3.39Å; N1141-V1258 PolarHBondContact OD1-N 2.98Å |
| 1259 | V | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -89.3 | 120.9 | 172.5 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | L1110 L1117 L1120 N1141 F1143 M1261 L1264 | L1110-V1259 HydrophobicContact CD2-CG1 4.14Å; L1110-V1259 HydrophobicContact CD2-CG2 3.84Å; L1117-V1259 HydrophobicContact CD1-CG2 4.28Å; L1120-V1259 HydrophobicContact CD2-CG2 3.5Å; N1141-V1259 HydrophobicContact CB-CB 4.03Å; N1141-V1259 HydrophobicContact CB-CG2 4.02Å; N1141-V1259 PolarHBondContact OD1-N 3.5Å; N1141-V1259 VanDerWaalsContact OD1-N 3.16Å; F1143-V1259 HydrophobicContact CD2-CG2 3.91Å; F1143-V1259 HydrophobicContact CE2-CB 4.01Å; F1143-V1259 HydrophobicContact CE2-CG1 3.87Å; F1143-V1259 HydrophobicContact CE2-CG2 3.7Å; F1143-V1259 HydrophobicContact CZ-CG1 3.98Å; F1143-V1259 HydrophobicContact CZ-CG2 4.39Å; V1259-M1261 HydrophobicContact CB-SD 4.34Å; V1259-M1261 HydrophobicContact CG1-SD 3.79Å; V1259-M1261 PolarHBondContact O-N 3.44Å; V1259-L1264 HydrophobicContact CG1-CD2 3.71Å |
| 1260 | P | 97.2 | Very high | 95.3 | Very high | 10 Ų | 10 | 21.6 Ų | 21.6 | 7% | 0.065 | 12% | 0.117 | C | C | . | . | trans | -77.9 | 89.5 | 176 | 34.1 | -36.1 | 0 | 0 | 0 | 109.1 | V1113 T1262 H1263 L1264 A1319 E1328 | V1113-P1260 HydrophobicContact CG1-CG 4.28Å; P1260-T1262 PolarHBondContact O-N 3.24Å; P1260-H1263 HydrophobicContact CB-CB 4.22Å; P1260-H1263 HydrophobicContact CG-CB 4.43Å; P1260-L1264 WeakPolarHBondContact O-CB 3.25Å; P1260-L1264 PolarHBondContact O-N 3.34Å; P1260-A1319 HydrophobicContact CB-CB 3.43Å; P1260-A1319 VanDerWaalsContact CB-CB 3.43Å; P1260-A1319 HydrophobicContact CG-CB 3.67Å; P1260-E1328 HydrophobicContact CB-CG 4.16Å; P1260-E1328 WeakPolarHBondContact CB-OE1 3.22Å | ||
| 1261 | M | 98.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.5 | -29.6 | -170.9 | -72.1 | -57.2 | -62.5 | 0 | 0 | 112.8 | L849 F1143 Y1240 A1243 V1244 Y1247 V1259 L1264 S1265 E1328 | L849-M1261 HydrophobicContact CD1-CB 4.26Å; F1143-M1261 HydrophobicContact CE2-SD 4.17Å; F1143-M1261 HydrophobicContact CZ-SD 4.27Å; Y1240-M1261 HydrophobicContact CD2-CE 4.05Å; Y1240-M1261 HydrophobicContact CE2-CE 3.75Å; A1243-M1261 HydrophobicContact CB-CE 3.67Å; A1243-M1261 HydrophobicContact CB-SD 3.86Å; V1244-M1261 HydrophobicContact CG2-CE 3.82Å; Y1247-M1261 HydrophobicContact CD2-CB 3.87Å; Y1247-M1261 HydrophobicContact CD2-CG 3.78Å; Y1247-M1261 HydrophobicContact CE2-CB 4.39Å; Y1247-M1261 HydrophobicContact CG-CB 4.18Å; Y1247-M1261 HydrophobicContact CG-CG 4.06Å; V1259-M1261 HydrophobicContact CB-SD 4.34Å; V1259-M1261 HydrophobicContact CG1-SD 3.79Å; V1259-M1261 PolarHBondContact O-N 3.44Å; M1261-L1264 HydrophobicContact SD-CD2 4.18Å; M1261-S1265 WeakPolarHBondContact O-CB 3.43Å; M1261-S1265 PolarHBondContact O-N 3.44Å; M1261-S1265 PolarHBondContact O-OG 3.47Å; M1261-E1328 PolarHBondContact N-OE2 3.06Å; M1261-E1328 VanDerWaalsContact N-OE2 3.17Å |
| 1262 | T | 97.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 25.1 Ų | 25.1 | 5% | 0.049 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -70.9 | -58.4 | 179.7 | -38.4 | 0 | 0 | 0 | 0 | 110.2 | P1260 L1264 S1265 W1266 E1328 F1330 | P1260-T1262 PolarHBondContact O-N 3.24Å; T1262-L1264 VanDerWaalsContact C-N 3.32Å; T1262-L1264 PolarHBondContact O-N 2.95Å; T1262-S1265 WeakPolarHBondContact O-CB 3.32Å; T1262-S1265 PolarHBondContact O-N 2.88Å; T1262-W1266 VanDerWaalsContact O-CD1 3.25Å; T1262-W1266 PolarHBondContact O-N 3.4Å; T1262-W1266 VanDerWaalsContact O-N 3.14Å; T1262-E1328 VanDerWaalsContact CB-CD 3.42Å; T1262-E1328 VanDerWaalsContact CB-OE1 3.28Å; T1262-E1328 WeakPolarHBondContact CB-OE1 3.24Å; T1262-E1328 VanDerWaalsContact CB-OE2 3.23Å; T1262-E1328 WeakPolarHBondContact CB-OE2 3.27Å; T1262-E1328 PolarHBondContact N-OE1 3.16Å; T1262-E1328 PolarHBondContact N-OE2 3.3Å; T1262-E1328 VanDerWaalsContact OG1-CD 3.3Å; T1262-E1328 PolarHBondContact OG1-OE2 3.15Å; T1262-F1330 HydrophobicContact CG2-CB 3.96Å; T1262-F1330 HydrophobicContact CG2-CD1 4.1Å; T1262-F1330 HydrophobicContact CG2-CD2 4.17Å; T1262-F1330 HydrophobicContact CG2-CG 3.8Å |
| 1263 | H | 96.5 | Very high | 95.1 | Very high | 5 Ų | 5 | 32 Ų | 32 | 2% | 0.023 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.3 | -45.1 | 175.3 | 169.9 | 98.2 | 0 | 0 | 0 | 111.6 | V1113 P1260 S1265 W1266 Q1267 K1313 A1319 E1328 F1330 | V1113-H1263 PolarHBondContact O-NE2 3.45Å; P1260-H1263 HydrophobicContact CB-CB 4.22Å; P1260-H1263 HydrophobicContact CG-CB 4.43Å; H1263-S1265 VanDerWaalsContact C-N 3.31Å; H1263-S1265 PolarHBondContact O-N 3.13Å; H1263-W1266 PolarHBondContact O-N 3.03Å; H1263-Q1267 WeakPolarHBondContact O-CG 3.39Å; H1263-Q1267 PolarHBondContact O-N 3.39Å; H1263-K1313 PolarHBondContact ND1-NZ 3.21Å; H1263-A1319 HydrophobicContact CB-CB 3.85Å; H1263-E1328 WeakPolarHBondContact CB-OE1 3.34Å; H1263-E1328 PolarHBondContact N-OE1 3.25Å; H1263-F1330 HydrophobicContact CB-CD2 4.46Å |
| 1264 | L | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.1 | -43.8 | 175.4 | 173.6 | 58 | 0 | 0 | 0 | 111.6 | M1109 H1112 V1113 F1143 V1259 P1260 M1261 T1262 W1266 Q1267 L1268 | M1109-L1264 HydrophobicContact CB-CD1 4.46Å; M1109-L1264 HydrophobicContact CB-CD2 4.46Å; M1109-L1264 WeakPolarHBondContact O-CD1 3.47Å; H1112-L1264 HydrophobicContact CB-CD1 4.24Å; V1113-L1264 HydrophobicContact CG2-CD1 4.04Å; F1143-L1264 HydrophobicContact CZ-CD2 4.1Å; V1259-L1264 HydrophobicContact CG1-CD2 3.71Å; P1260-L1264 WeakPolarHBondContact O-CB 3.25Å; P1260-L1264 PolarHBondContact O-N 3.34Å; M1261-L1264 HydrophobicContact SD-CD2 4.18Å; T1262-L1264 VanDerWaalsContact C-N 3.32Å; T1262-L1264 PolarHBondContact O-N 2.95Å; L1264-W1266 PolarHBondContact O-N 3.08Å; L1264-Q1267 PolarHBondContact O-N 2.93Å; L1264-L1268 HydrophobicContact CD1-CD1 4.1Å; L1264-L1268 HydrophobicContact CD1-CD2 4.29Å; L1264-L1268 HydrophobicContact CD1-CG 3.92Å; L1264-L1268 HydrophobicContact CG-CD1 4.03Å; L1264-L1268 HydrophobicContact CG-CG 4.32Å; L1264-L1268 VanDerWaalsContact O-CG 3.29Å; L1264-L1268 WeakPolarHBondContact O-CG 3.37Å; L1264-L1268 PolarHBondContact O-N 3.39Å |
| 1265 | S | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 179.7 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | Y1240 M1261 T1262 H1263 Q1267 L1268 A1269 T1286 | Y1240-S1265 PolarHBondContact OH-OG 3.03Å; M1261-S1265 WeakPolarHBondContact O-CB 3.43Å; M1261-S1265 PolarHBondContact O-N 3.44Å; M1261-S1265 PolarHBondContact O-OG 3.47Å; T1262-S1265 WeakPolarHBondContact O-CB 3.32Å; T1262-S1265 PolarHBondContact O-N 2.88Å; H1263-S1265 VanDerWaalsContact C-N 3.31Å; H1263-S1265 PolarHBondContact O-N 3.13Å; S1265-Q1267 VanDerWaalsContact C-N 3.34Å; S1265-Q1267 PolarHBondContact O-N 3.25Å; S1265-L1268 PolarHBondContact O-N 3.27Å; S1265-A1269 WeakPolarHBondContact O-CB 3.36Å; S1265-A1269 PolarHBondContact O-N 3.47Å; S1265-T1286 WeakPolarHBondContact OG-CG2 3.42Å |
| 1266 | W | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.4 | -35.2 | 174.9 | -74.3 | 98.3 | 0 | 0 | 0 | 112.6 | T1262 H1263 L1264 A1269 K1270 L1287 S1290 F1291 F1330 L1371 I1374 F1375 | T1262-W1266 VanDerWaalsContact O-CD1 3.25Å; T1262-W1266 PolarHBondContact O-N 3.4Å; T1262-W1266 VanDerWaalsContact O-N 3.14Å; H1263-W1266 PolarHBondContact O-N 3.03Å; L1264-W1266 PolarHBondContact O-N 3.08Å; W1266-A1269 PolarHBondContact O-N 3.19Å; W1266-K1270 WeakPolarHBondContact O-CG 3.19Å; W1266-K1270 PolarHBondContact O-N 2.93Å; W1266-L1287 HydrophobicContact CB-CD2 4.41Å; W1266-L1287 HydrophobicContact CD2-CD2 3.49Å; W1266-L1287 VanDerWaalsContact CD2-CD2 3.49Å; W1266-L1287 HydrophobicContact CE3-CD2 3.79Å; W1266-L1287 HydrophobicContact CG-CD2 3.79Å; W1266-L1287 HydrophobicContact CH2-CB 4.28Å; W1266-L1287 HydrophobicContact CH2-CD2 4.38Å; W1266-L1287 HydrophobicContact CZ2-CB 4.11Å; W1266-L1287 HydrophobicContact CZ2-CD2 4.14Å; W1266-L1287 WeakPolarHBondContact CZ2-O 3.4Å; W1266-L1287 HydrophobicContact CZ3-CD2 4.21Å; W1266-S1290 PolarHBondContact NE1-OG 3.09Å; W1266-F1291 HydrophobicContact CH2-CB 4.25Å; W1266-F1291 HydrophobicContact CZ2-CB 4.07Å; W1266-F1330 HydrophobicContact CB-CE2 4.31Å; W1266-F1330 HydrophobicContact CB-CZ 4.33Å; W1266-F1330 AromaticContact CD1-CE1 3.73Å; W1266-F1330 AromaticContact CD1-CE2 3.43Å; W1266-F1330 VanDerWaalsContact CD1-CE2 3.43Å; W1266-F1330 AromaticContact CD1-CZ 3.14Å; W1266-F1330 AromaticContact CD2-CZ 3.99Å; W1266-F1330 HydrophobicContact CD2-CZ 3.99Å; W1266-F1330 AromaticContact CE2-CZ 3.88Å; W1266-F1330 HydrophobicContact CG-CE1 4.43Å; W1266-F1330 AromaticContact CG-CE2 3.93Å; W1266-F1330 HydrophobicContact CG-CE2 3.93Å; W1266-F1330 AromaticContact CG-CZ 3.57Å; W1266-F1330 HydrophobicContact CG-CZ 3.57Å; W1266-F1330 AromaticContact NE1-CE1 3.45Å; W1266-F1330 AromaticContact NE1-CZ 3.35Å; W1266-F1330 VanDerWaalsContact NE1-CZ 3.35Å; W1266-L1371 HydrophobicContact CD2-CD2 4.01Å; W1266-L1371 HydrophobicContact CE3-CD2 3.79Å; W1266-L1371 HydrophobicContact CH2-CB 3.76Å; W1266-L1371 HydrophobicContact CH2-CD2 4Å; W1266-L1371 HydrophobicContact CH2-CG 4.37Å; W1266-L1371 HydrophobicContact CZ2-CB 4.43Å; W1266-L1371 HydrophobicContact CZ2-CD2 4.19Å; W1266-L1371 HydrophobicContact CZ3-CB 3.99Å; W1266-L1371 HydrophobicContact CZ3-CD2 3.79Å; W1266-L1371 HydrophobicContact CZ3-CG 4.49Å; W1266-L1371 VanDerWaalsContact CZ3-O 3.32Å; W1266-L1371 WeakPolarHBondContact CZ3-O 3.48Å; W1266-I1374 HydrophobicContact CE3-CB 4.24Å; W1266-I1374 HydrophobicContact CE3-CD1 4.21Å; W1266-I1374 HydrophobicContact CE3-CG2 3.89Å; W1266-I1374 HydrophobicContact CZ3-CB 3.97Å; W1266-I1374 HydrophobicContact CZ3-CD1 4.38Å; W1266-I1374 HydrophobicContact CZ3-CG2 3.99Å; W1266-F1375 HydrophobicContact CH2-CB 4.44Å |
| 1267 | Q | 95 | Very high | 95.1 | Very high | 34 Ų | 34 | 35.1 Ų | 35.1 | 16% | 0.159 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70 | -42.2 | 173.9 | -66.1 | -63.5 | -17.3 | 0 | 0 | 112.5 | H1112 H1263 L1264 S1265 A1269 K1270 N1271 | H1112-Q1267 HydrophobicContact CB-CB 4.44Å; H1112-Q1267 WeakPolarHBondContact O-CB 3.48Å; H1112-Q1267 WeakPolarHBondContact O-CG 3.15Å; H1263-Q1267 WeakPolarHBondContact O-CG 3.39Å; H1263-Q1267 PolarHBondContact O-N 3.39Å; L1264-Q1267 PolarHBondContact O-N 2.93Å; S1265-Q1267 VanDerWaalsContact C-N 3.34Å; S1265-Q1267 PolarHBondContact O-N 3.25Å; Q1267-A1269 VanDerWaalsContact C-N 3.27Å; Q1267-A1269 PolarHBondContact O-N 3.45Å; Q1267-K1270 PolarHBondContact O-N 2.86Å; Q1267-N1271 VanDerWaalsContact O-CB 3.24Å; Q1267-N1271 WeakPolarHBondContact O-CB 3.25Å; Q1267-N1271 PolarHBondContact O-N 3.24Å; Q1267-N1271 PolarHBondContact O-ND2 2.86Å; Q1267-N1271 VanDerWaalsContact O-ND2 3.1Å; Q1267-N1271 PolarHBondContact OE1-ND2 2.88Å |
| 1268 | L | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.5 | -41.6 | 173 | -67.2 | 172.2 | 0 | 0 | 0 | 110.9 | M1109 H1112 M1235 Y1240 L1264 S1265 N1271 I1272 I1283 | M1109-L1268 HydrophobicContact CB-CD2 4.32Å; M1109-L1268 HydrophobicContact CG-CD1 4.21Å; M1109-L1268 HydrophobicContact CG-CD2 4.16Å; H1112-L1268 HydrophobicContact CB-CD2 4Å; M1235-L1268 HydrophobicContact CE-CD2 4.08Å; M1235-L1268 HydrophobicContact SD-CD2 4.41Å; Y1240-L1268 HydrophobicContact CE2-CD1 4.46Å; L1264-L1268 HydrophobicContact CD1-CD1 4.1Å; L1264-L1268 HydrophobicContact CD1-CD2 4.29Å; L1264-L1268 HydrophobicContact CD1-CG 3.92Å; L1264-L1268 HydrophobicContact CG-CD1 4.03Å; L1264-L1268 HydrophobicContact CG-CG 4.32Å; L1264-L1268 VanDerWaalsContact O-CG 3.29Å; L1264-L1268 WeakPolarHBondContact O-CG 3.37Å; L1264-L1268 PolarHBondContact O-N 3.39Å; S1265-L1268 PolarHBondContact O-N 3.27Å; L1268-N1271 PolarHBondContact O-N 3.38Å; L1268-I1272 HydrophobicContact CD2-CD1 3.49Å; L1268-I1272 VanDerWaalsContact CD2-CD1 3.49Å; L1268-I1272 HydrophobicContact CD2-CG1 4.41Å; L1268-I1272 WeakPolarHBondContact O-CB 3.39Å; L1268-I1272 PolarHBondContact O-N 3.44Å; L1268-I1283 HydrophobicContact CB-CD1 4.44Å; L1268-I1283 HydrophobicContact CD1-CD1 3.96Å |
| 1269 | A | 96.3 | Very high | 94.9 | Very high | 12 Ų | 12 | 33.1 Ų | 33.1 | 10% | 0.099 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69 | -33.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1265 W1266 Q1267 L1287 I1374 F1378 | S1265-A1269 WeakPolarHBondContact O-CB 3.36Å; S1265-A1269 PolarHBondContact O-N 3.47Å; W1266-A1269 PolarHBondContact O-N 3.19Å; Q1267-A1269 VanDerWaalsContact C-N 3.27Å; Q1267-A1269 PolarHBondContact O-N 3.45Å; A1269-L1287 HydrophobicContact CB-CD1 3.69Å; A1269-L1287 HydrophobicContact CB-CD2 4.03Å; A1269-L1287 HydrophobicContact CB-CG 4.47Å; A1269-I1374 HydrophobicContact CB-CG2 4.06Å; A1269-F1378 HydrophobicContact CB-CB 4.22Å; A1269-F1378 HydrophobicContact CB-CD1 4.43Å; A1269-F1378 HydrophobicContact CB-CD2 3.77Å; A1269-F1378 HydrophobicContact CB-CE2 4.21Å; A1269-F1378 HydrophobicContact CB-CG 3.89Å |
| 1270 | K | 93.7 | Very high | 94.8 | Very high | 74 Ų | 74 | 34.6 Ų | 34.6 | 32% | 0.322 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69.8 | -40.6 | 171.7 | -77.7 | -179.6 | 174.4 | -171.9 | 0 | 112.4 | W1266 Q1267 Y1366 E1370 I1374 | W1266-K1270 WeakPolarHBondContact O-CG 3.19Å; W1266-K1270 PolarHBondContact O-N 2.93Å; Q1267-K1270 PolarHBondContact O-N 2.86Å; K1270-Y1366 VanDerWaalsContact NZ-CE1 3.3Å; K1270-E1370 WeakPolarHBondContact CE-OE1 3.2Å; K1270-E1370 IonicContact NZ-OE1 2.71Å; K1270-E1370 PolarHBondContact NZ-OE1 3.38Å; K1270-I1374 HydrophobicContact CD-CD1 4.31Å; K1270-I1374 HydrophobicContact CG-CD1 4.17Å; K1270-I1374 HydrophobicContact CG-CG1 4.18Å; K1270-I1374 HydrophobicContact CG-CG2 4.08Å |
| 1271 | N | 92 | Very high | 94.7 | Very high | 96 Ų | 96 | 39.2 Ų | 39.2 | 51% | 0.513 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -106.7 | -17 | -160.8 | -58.2 | -28.8 | 0 | 0 | 0 | 114.9 | Q1267 L1268 | Q1267-N1271 VanDerWaalsContact O-CB 3.24Å; Q1267-N1271 WeakPolarHBondContact O-CB 3.25Å; Q1267-N1271 PolarHBondContact O-N 3.24Å; Q1267-N1271 PolarHBondContact O-ND2 2.86Å; Q1267-N1271 VanDerWaalsContact O-ND2 3.1Å; Q1267-N1271 PolarHBondContact OE1-ND2 2.88Å; L1268-N1271 PolarHBondContact O-N 3.38Å |
| 1272 | I | 92.7 | Very high | 94.6 | Very high | 33 Ų | 33 | 42.2 Ų | 42.2 | 17% | 0.169 | 23% | 0.227 | C | C | . | . | trans | -130.3 | 135.6 | -171.7 | -46.5 | -174.8 | 0 | 0 | 0 | 112.4 | H1112 M1235 L1268 I1274 | H1112-I1272 WeakPolarHBondContact NE2-CD1 3.18Å; M1235-I1272 HydrophobicContact CE-CD1 3.41Å; M1235-I1272 VanDerWaalsContact CE-CD1 3.41Å; M1235-I1272 HydrophobicContact SD-CD1 4.03Å; L1268-I1272 HydrophobicContact CD2-CD1 3.49Å; L1268-I1272 VanDerWaalsContact CD2-CD1 3.49Å; L1268-I1272 HydrophobicContact CD2-CG1 4.41Å; L1268-I1272 WeakPolarHBondContact O-CB 3.39Å; L1268-I1272 PolarHBondContact O-N 3.44Å; I1272-I1274 HydrophobicContact CG2-CG1 4.07Å | ||
| 1273 | K | 92.3 | Very high | 94.5 | Very high | 164 Ų | 164 | 41.8 Ų | 41.8 | 71% | 0.713 | 22% | 0.224 | S | C | * | . | trans | -88.7 | 117.9 | 164.3 | -63.8 | -171.2 | 171.4 | -162.9 | 0 | 110.2 | Q1381 | K1273-Q1381 HydrophobicContact CB-CB 4.27Å; K1273-Q1381 HydrophobicContact CB-CG 4.42Å | ||
| 1274 | I | 92.2 | Very high | 94.5 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | trans | -101.6 | 132.8 | -177 | -58.6 | -169.7 | 0 | 0 | 0 | 110.2 | I1272 D1276 L1279 F1280 I1283 F1378 Q1381 | I1272-I1274 HydrophobicContact CG2-CG1 4.07Å; I1274-D1276 HydrophobicContact CG2-CB 4.46Å; I1274-L1279 HydrophobicContact CD1-CD2 4Å; I1274-L1279 HydrophobicContact CD1-CG 4.02Å; I1274-L1279 HydrophobicContact CG2-CB 4.15Å; I1274-L1279 HydrophobicContact CG2-CD2 4.04Å; I1274-L1279 HydrophobicContact CG2-CG 4.08Å; I1274-F1280 HydrophobicContact CG2-CB 4.16Å; I1274-I1283 HydrophobicContact CD1-CD1 3.43Å; I1274-I1283 VanDerWaalsContact CD1-CD1 3.43Å; I1274-F1378 HydrophobicContact CD1-CE2 4.28Å; I1274-F1378 HydrophobicContact CD1-CZ 4.06Å; I1274-F1378 HydrophobicContact CG1-CE2 4.29Å; I1274-F1378 HydrophobicContact CG1-CZ 4.4Å; I1274-Q1381 WeakPolarHBondContact O-CB 3.49Å; I1274-Q1381 PolarHBondContact O-N 3.36Å | ||
| 1275 | S | 92.1 | Very high | 94.4 | Very high | 85 Ų | 85 | 44 Ų | 44 | 59% | 0.594 | 24% | 0.235 | S | C | * | . | trans | -110.4 | -12.9 | -179.8 | 49.5 | 0 | 0 | 0 | 0 | 113.9 | P1277 | S1275-P1277 WeakPolarHBondContact O-CD 3.45Š| ||
| 1276 | D | 91.7 | Very high | 94.3 | Very high | 63 Ų | 63 | 44.2 Ų | 44.2 | 34% | 0.337 | 24% | 0.235 | S | C | . | . | trans | -78.7 | 117.2 | 170.2 | 172.9 | 30.3 | 0 | 0 | 0 | 109.7 | A1237 I1274 G1278 L1279 F1280 | A1237-D1276 PolarHBondContact N-OD2 3.4Å; I1274-D1276 HydrophobicContact CG2-CB 4.46Å; D1276-G1278 VanDerWaalsContact C-N 3.32Å; D1276-G1278 PolarHBondContact O-N 3.21Å; D1276-G1278 PolarHBondContact OD1-N 2.97Å; D1276-L1279 HydrophobicContact CB-CB 4.1Å; D1276-L1279 WeakPolarHBondContact OD2-CB 3.28Å; D1276-L1279 PolarHBondContact OD2-N 2.93Å; D1276-L1279 VanDerWaalsContact OD2-N 3.16Å; D1276-F1280 WeakPolarHBondContact O-CB 3.23Å; D1276-F1280 PolarHBondContact O-N 3.36Å | ||
| 1277 | P | 92.9 | Very high | 94.4 | Very high | 76 Ų | 76 | 44.2 Ų | 44.2 | 49% | 0.494 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.9 | -39.6 | -178.6 | -23.6 | 34.4 | 0 | 0 | 0 | 113.2 | S1275 F1280 E1281 L1380 | S1275-P1277 WeakPolarHBondContact O-CD 3.45Å; P1277-F1280 PolarHBondContact O-N 2.93Å; P1277-E1281 WeakPolarHBondContact O-CB 3.4Å; P1277-E1281 PolarHBondContact O-N 3.18Å; P1277-L1380 HydrophobicContact CB-CD2 4.35Å; P1277-L1380 HydrophobicContact CG-CD1 4.44Å; P1277-L1380 HydrophobicContact CG-CD2 4.25Å |
| 1278 | G | 93.6 | Very high | 94.4 | Very high | 28 Ų | 28 | 42.7 Ų | 42.7 | 29% | 0.289 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.5 | -45.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1276 F1280 E1281 L1282 | D1276-G1278 VanDerWaalsContact C-N 3.32Å; D1276-G1278 PolarHBondContact O-N 3.21Å; D1276-G1278 PolarHBondContact OD1-N 2.97Å; G1278-F1280 VanDerWaalsContact C-N 3.35Å; G1278-E1281 PolarHBondContact O-N 3.17Å; G1278-L1282 WeakPolarHBondContact O-CB 3.36Å; G1278-L1282 VanDerWaalsContact O-CG 3.27Å; G1278-L1282 WeakPolarHBondContact O-CG 3.41Å; G1278-L1282 PolarHBondContact O-N 3Å |
| 1279 | L | 95.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.7 | -39.1 | 174.5 | -179.5 | 59.7 | 0 | 0 | 0 | 112.4 | M1109 M1235 A1237 Y1240 I1274 D1276 I1283 | M1109-L1279 HydrophobicContact CE-CD1 3.75Å; M1109-L1279 HydrophobicContact CE-CD2 4.25Å; M1235-L1279 HydrophobicContact CG-CD2 3.86Å; M1235-L1279 HydrophobicContact SD-CD2 3.97Å; A1237-L1279 HydrophobicContact CB-CB 4.29Å; Y1240-L1279 VanDerWaalsContact CB-CD1 3.46Å; Y1240-L1279 HydrophobicContact CD1-CD1 4.47Å; Y1240-L1279 HydrophobicContact CD2-CD1 4.3Å; Y1240-L1279 HydrophobicContact CG-CD1 3.84Å; I1274-L1279 HydrophobicContact CD1-CD2 4Å; I1274-L1279 HydrophobicContact CD1-CG 4.02Å; I1274-L1279 HydrophobicContact CG2-CB 4.15Å; I1274-L1279 HydrophobicContact CG2-CD2 4.04Å; I1274-L1279 HydrophobicContact CG2-CG 4.08Å; D1276-L1279 HydrophobicContact CB-CB 4.1Å; D1276-L1279 WeakPolarHBondContact OD2-CB 3.28Å; D1276-L1279 PolarHBondContact OD2-N 2.93Å; D1276-L1279 VanDerWaalsContact OD2-N 3.16Å; L1279-I1283 HydrophobicContact CD1-CD1 3.67Å; L1279-I1283 HydrophobicContact CD1-CG1 4.18Å; L1279-I1283 HydrophobicContact CG-CD1 3.89Å; L1279-I1283 WeakPolarHBondContact O-CB 3.47Å; L1279-I1283 WeakPolarHBondContact O-CG1 3.44Å; L1279-I1283 PolarHBondContact O-N 3.46Å; L1279-I1283 VanDerWaalsContact O-N 3.07Å |
| 1280 | F | 95.9 | Very high | 94.2 | Very high | 31 Ų | 31 | 42.8 Ų | 42.8 | 14% | 0.136 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.9 | -48 | 176.2 | 170.1 | -99.9 | 0 | 0 | 0 | 111.9 | I1274 D1276 P1277 G1278 K1284 F1378 L1380 | I1274-F1280 HydrophobicContact CG2-CB 4.16Å; D1276-F1280 WeakPolarHBondContact O-CB 3.23Å; D1276-F1280 PolarHBondContact O-N 3.36Å; P1277-F1280 PolarHBondContact O-N 2.93Å; G1278-F1280 VanDerWaalsContact C-N 3.35Å; F1280-K1284 HydrophobicContact CE1-CD 4.28Å; F1280-K1284 HydrophobicContact CE2-CD 4.22Å; F1280-K1284 HydrophobicContact CZ-CD 3.67Å; F1280-K1284 WeakPolarHBondContact O-CB 3.46Å; F1280-K1284 PolarHBondContact O-N 2.93Å; F1280-F1378 AromaticContact CD2-CD1 3.98Å; F1280-F1378 HydrophobicContact CD2-CD1 3.98Å; F1280-F1378 AromaticContact CD2-CE1 3.46Å; F1280-F1378 HydrophobicContact CD2-CE1 3.46Å; F1280-F1378 VanDerWaalsContact CD2-CE1 3.46Å; F1280-F1378 HydrophobicContact CD2-CE2 4.4Å; F1280-F1378 AromaticContact CD2-CZ 3.71Å; F1280-F1378 HydrophobicContact CD2-CZ 3.71Å; F1280-F1378 AromaticContact CE2-CD1 3.57Å; F1280-F1378 HydrophobicContact CE2-CD1 3.57Å; F1280-F1378 AromaticContact CE2-CE1 3.56Å; F1280-F1378 HydrophobicContact CE2-CE1 3.56Å; F1280-F1378 HydrophobicContact CE2-CG 4.16Å; F1280-F1378 HydrophobicContact CE2-CZ 4.14Å; F1280-F1378 WeakPolarHBondContact CE2-O 3.45Å; F1280-F1378 HydrophobicContact CG-CE1 4.44Å; F1280-F1378 HydrophobicContact CZ-CD1 4.5Å; F1280-L1380 HydrophobicContact CB-CD1 3.9Å; F1280-L1380 HydrophobicContact CD1-CB 3.98Å; F1280-L1380 HydrophobicContact CD1-CD1 4.37Å; F1280-L1380 HydrophobicContact CD2-CB 4.39Å; F1280-L1380 HydrophobicContact CE1-CB 4.11Å; F1280-L1380 HydrophobicContact CG-CB 4.13Å; F1280-L1380 HydrophobicContact CG-CD1 4.09Å; F1280-L1380 HydrophobicContact CZ-CB 4.38Å |
| 1281 | E | 94.6 | Very high | 94.3 | Very high | 107 Ų | 107 | 39.3 Ų | 39.3 | 50% | 0.5 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.8 | -47.3 | 179.8 | -178.6 | 166.8 | -147.2 | 0 | 0 | 112 | P1277 G1278 I1283 K1284 H1285 | P1277-E1281 WeakPolarHBondContact O-CB 3.4Å; P1277-E1281 PolarHBondContact O-N 3.18Å; G1278-E1281 PolarHBondContact O-N 3.17Å; E1281-I1283 PolarHBondContact O-N 3.35Å; E1281-K1284 PolarHBondContact O-N 3.36Å; E1281-H1285 PolarHBondContact O-N 3.35Å |
| 1282 | L | 95.4 | Very high | 94.4 | Very high | 63 Ų | 63 | 34.8 Ų | 34.8 | 33% | 0.33 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.3 | -46.6 | 177.8 | -70.9 | 168.8 | 0 | 0 | 0 | 112.2 | A1237 Y1240 Q1241 G1278 H1285 T1286 | A1237-L1282 HydrophobicContact CB-CD1 4.14Å; Y1240-L1282 HydrophobicContact CD1-CB 3.61Å; Y1240-L1282 HydrophobicContact CD1-CD1 4.35Å; Y1240-L1282 HydrophobicContact CE1-CB 3.81Å; Q1241-L1282 HydrophobicContact CB-CD1 4.1Å; G1278-L1282 WeakPolarHBondContact O-CB 3.36Å; G1278-L1282 VanDerWaalsContact O-CG 3.27Å; G1278-L1282 WeakPolarHBondContact O-CG 3.41Å; G1278-L1282 PolarHBondContact O-N 3Å; L1282-H1285 PolarHBondContact O-N 3.43Å; L1282-T1286 PolarHBondContact O-N 3.02Å; L1282-T1286 PolarHBondContact O-OG1 3.17Å |
| 1283 | I | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.2 | -46.9 | 175.8 | -73.1 | 166.3 | 0 | 0 | 0 | 110.2 | Y1240 L1268 I1274 L1279 E1281 H1285 T1286 L1287 F1378 | Y1240-I1283 HydrophobicContact CD1-CG1 4.25Å; Y1240-I1283 HydrophobicContact CD2-CD1 4.3Å; Y1240-I1283 HydrophobicContact CD2-CG1 3.86Å; Y1240-I1283 HydrophobicContact CE1-CG1 3.9Å; Y1240-I1283 HydrophobicContact CE2-CD1 4.27Å; Y1240-I1283 HydrophobicContact CE2-CG1 3.49Å; Y1240-I1283 VanDerWaalsContact CE2-CG1 3.49Å; Y1240-I1283 HydrophobicContact CG-CG1 4.21Å; L1268-I1283 HydrophobicContact CB-CD1 4.44Å; L1268-I1283 HydrophobicContact CD1-CD1 3.96Å; I1274-I1283 HydrophobicContact CD1-CD1 3.43Å; I1274-I1283 VanDerWaalsContact CD1-CD1 3.43Å; L1279-I1283 HydrophobicContact CD1-CD1 3.67Å; L1279-I1283 HydrophobicContact CD1-CG1 4.18Å; L1279-I1283 HydrophobicContact CG-CD1 3.89Å; L1279-I1283 WeakPolarHBondContact O-CB 3.47Å; L1279-I1283 WeakPolarHBondContact O-CG1 3.44Å; L1279-I1283 PolarHBondContact O-N 3.46Å; L1279-I1283 VanDerWaalsContact O-N 3.07Å; E1281-I1283 PolarHBondContact O-N 3.35Å; I1283-H1285 PolarHBondContact O-N 3.33Å; I1283-T1286 PolarHBondContact O-N 2.97Å; I1283-L1287 HydrophobicContact CG2-CD1 4.33Å; I1283-L1287 HydrophobicContact CG2-CG 4.29Å; I1283-L1287 WeakPolarHBondContact O-CG 3.49Å; I1283-L1287 PolarHBondContact O-N 3.16Å; I1283-F1378 HydrophobicContact CB-CE1 4.1Å; I1283-F1378 HydrophobicContact CB-CZ 4.14Å; I1283-F1378 HydrophobicContact CG2-CE1 3.63Å; I1283-F1378 HydrophobicContact CG2-CZ 3.66Å |
| 1284 | K | 96 | Very high | 94.6 | Very high | 16 Ų | 16 | 29.5 Ų | 29.5 | 7% | 0.07 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.9 | -27.9 | -177.6 | -163.5 | 158.6 | -170.4 | 156.5 | 0 | 112.6 | V824 F1280 E1281 L1288 F1375 F1378 | V824-K1284 HydrophobicContact CB-CB 4.4Å; V824-K1284 HydrophobicContact CB-CG 4.11Å; V824-K1284 HydrophobicContact CG1-CB 4.33Å; V824-K1284 HydrophobicContact CG1-CG 4.29Å; F1280-K1284 HydrophobicContact CE1-CD 4.28Å; F1280-K1284 HydrophobicContact CE2-CD 4.22Å; F1280-K1284 HydrophobicContact CZ-CD 3.67Å; F1280-K1284 WeakPolarHBondContact O-CB 3.46Å; F1280-K1284 PolarHBondContact O-N 2.93Å; E1281-K1284 PolarHBondContact O-N 3.36Å; K1284-L1288 WeakPolarHBondContact O-CB 3.32Å; K1284-L1288 PolarHBondContact O-N 3.06Å; K1284-F1375 HydrophobicContact CD-CE2 4.35Å; K1284-F1375 HydrophobicContact CD-CZ 4.35Å; K1284-F1375 WeakPolarHBondContact CE-O 3.36Å; K1284-F1375 HydrophobicContact CG-CD2 4.38Å; K1284-F1375 HydrophobicContact CG-CE2 3.7Å; K1284-F1375 HydrophobicContact CG-CZ 4.06Å; K1284-F1375 PolarHBondContact NZ-O 2.84Å; K1284-F1378 HydrophobicContact CB-CD1 4.19Å; K1284-F1378 HydrophobicContact CB-CE1 4.14Å; K1284-F1378 HydrophobicContact CD-CD1 4.27Å; K1284-F1378 HydrophobicContact CG-CD1 4.37Å; K1284-F1378 PolarHBondContact NZ-O 3.41Å |
| 1285 | H | 94.6 | Very high | 94.7 | Very high | 36 Ų | 36 | 30.5 Ų | 30.5 | 17% | 0.167 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.9 | -44.1 | 170 | -170.5 | -82.6 | 0 | 0 | 0 | 112.3 | V824 L849 L850 P851 E1281 L1282 I1283 L1287 L1288 R1289 | V824-H1285 HydrophobicContact CG1-CB 4.07Å; L849-H1285 PolarHBondContact O-CE1 2.66Å; L849-H1285 VanDerWaalsContact O-CE1 3.3Å; L849-H1285 PolarHBondContact O-ND1 2.79Å; L850-H1285 VanDerWaalsContact C-CE1 3.43Å; P851-H1285 VanDerWaalsContact CA-CE1 3.42Å; P851-H1285 WeakPolarHBondContact CA-CE1 3.24Å; E1281-H1285 PolarHBondContact O-N 3.35Å; L1282-H1285 PolarHBondContact O-N 3.43Å; I1283-H1285 PolarHBondContact O-N 3.33Å; H1285-L1287 PolarHBondContact O-N 3.31Å; H1285-L1288 WeakPolarHBondContact O-CB 3.16Å; H1285-L1288 PolarHBondContact O-N 2.73Å; H1285-R1289 WeakPolarHBondContact CE1-CG 3.29Å; H1285-R1289 PolarHBondContact O-N 3.29Å |
| 1286 | T | 95.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.2 | -37 | 175.7 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | L849 Y1240 S1265 L1282 I1283 S1290 | L849-T1286 HydrophobicContact CB-CG2 4.46Å; L849-T1286 HydrophobicContact CD1-CG2 4.07Å; L849-T1286 HydrophobicContact CD2-CG2 4.22Å; L849-T1286 HydrophobicContact CG-CG2 4.48Å; Y1240-T1286 WeakPolarHBondContact OH-CB 3.42Å; Y1240-T1286 PolarHBondContact OH-OG1 2.99Å; S1265-T1286 WeakPolarHBondContact OG-CG2 3.42Å; L1282-T1286 PolarHBondContact O-N 3.02Å; L1282-T1286 PolarHBondContact O-OG1 3.17Å; I1283-T1286 PolarHBondContact O-N 2.97Å; T1286-S1290 PolarHBondContact O-N 2.92Å; T1286-S1290 PolarHBondContact O-OG 3.37Å |
| 1287 | L | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 169.4 | -56.9 | 177.1 | 0 | 0 | 0 | 111 | W1266 A1269 I1283 H1285 R1289 S1290 F1291 F1375 F1378 | W1266-L1287 HydrophobicContact CB-CD2 4.41Å; W1266-L1287 HydrophobicContact CD2-CD2 3.49Å; W1266-L1287 VanDerWaalsContact CD2-CD2 3.49Å; W1266-L1287 HydrophobicContact CE3-CD2 3.79Å; W1266-L1287 HydrophobicContact CG-CD2 3.79Å; W1266-L1287 HydrophobicContact CH2-CB 4.28Å; W1266-L1287 HydrophobicContact CH2-CD2 4.38Å; W1266-L1287 HydrophobicContact CZ2-CB 4.11Å; W1266-L1287 HydrophobicContact CZ2-CD2 4.14Å; W1266-L1287 WeakPolarHBondContact CZ2-O 3.4Å; W1266-L1287 HydrophobicContact CZ3-CD2 4.21Å; A1269-L1287 HydrophobicContact CB-CD1 3.69Å; A1269-L1287 HydrophobicContact CB-CD2 4.03Å; A1269-L1287 HydrophobicContact CB-CG 4.47Å; I1283-L1287 HydrophobicContact CG2-CD1 4.33Å; I1283-L1287 HydrophobicContact CG2-CG 4.29Å; I1283-L1287 WeakPolarHBondContact O-CG 3.49Å; I1283-L1287 PolarHBondContact O-N 3.16Å; H1285-L1287 PolarHBondContact O-N 3.31Å; L1287-R1289 PolarHBondContact O-N 2.87Å; L1287-S1290 PolarHBondContact O-N 3.36Å; L1287-S1290 PolarHBondContact O-OG 2.88Å; L1287-F1291 WeakPolarHBondContact O-CB 3.44Å; L1287-F1291 PolarHBondContact O-N 3.5Å; L1287-F1375 HydrophobicContact CB-CD2 3.81Å; L1287-F1375 HydrophobicContact CB-CE2 4.18Å; L1287-F1375 HydrophobicContact CD1-CD2 4.42Å; L1287-F1378 HydrophobicContact CD1-CB 4.36Å; L1287-F1378 HydrophobicContact CD1-CD1 3.67Å; L1287-F1378 HydrophobicContact CD1-CE1 4.26Å; L1287-F1378 HydrophobicContact CD1-CG 4.16Å |
| 1288 | L | 95.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.1 | -50.8 | -179.5 | 177.7 | 62.9 | 0 | 0 | 0 | 112 | V824 I831 K1284 H1285 S1290 F1291 I1292 F1375 | V824-L1288 HydrophobicContact CG1-CB 4.33Å; V824-L1288 HydrophobicContact CG1-CD2 3.85Å; I831-L1288 HydrophobicContact CD1-CD1 3.56Å; I831-L1288 HydrophobicContact CG1-CD1 4.19Å; I831-L1288 HydrophobicContact CG2-CD1 4.48Å; K1284-L1288 WeakPolarHBondContact O-CB 3.32Å; K1284-L1288 PolarHBondContact O-N 3.06Å; H1285-L1288 WeakPolarHBondContact O-CB 3.16Å; H1285-L1288 PolarHBondContact O-N 2.73Å; L1288-S1290 PolarHBondContact O-N 3.41Å; L1288-F1291 PolarHBondContact O-N 2.95Å; L1288-I1292 HydrophobicContact CD1-CD1 3.78Å; L1288-I1292 HydrophobicContact CD1-CG1 4.23Å; L1288-I1292 HydrophobicContact CG-CD1 3.81Å; L1288-I1292 WeakPolarHBondContact O-CB 3.39Å; L1288-I1292 WeakPolarHBondContact O-CD1 3.47Å; L1288-I1292 VanDerWaalsContact O-CG1 3.23Å; L1288-I1292 WeakPolarHBondContact O-CG1 3.3Å; L1288-I1292 PolarHBondContact O-N 2.74Å; L1288-F1375 HydrophobicContact CB-CE2 3.99Å; L1288-F1375 HydrophobicContact CB-CZ 4.4Å; L1288-F1375 HydrophobicContact CD1-CE2 4.47Å; L1288-F1375 HydrophobicContact CD1-CZ 4.22Å |
| 1289 | R | 93.5 | Very high | 94.8 | Very high | 13 Ų | 13 | 20.1 Ų | 20.1 | 5% | 0.049 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 179.7 | -67.5 | -50 | -52.2 | -179.1 | 0.8 | 112.7 | W846 E852 H1285 L1287 I1292 Q1293 | W846-R1289 PolarHBondContact O-NH2 3.28Å; E852-R1289 IonicContact OE2-CZ 3.63Å; E852-R1289 IonicContact OE2-NH1 3.7Å; E852-R1289 PolarHBondContact OE2-NH1 3.48Å; E852-R1289 IonicContact OE2-NH2 3.16Å; E852-R1289 PolarHBondContact OE2-NH2 3.39Å; H1285-R1289 WeakPolarHBondContact CE1-CG 3.29Å; H1285-R1289 PolarHBondContact O-N 3.29Å; L1287-R1289 PolarHBondContact O-N 2.87Å; R1289-I1292 PolarHBondContact O-N 2.85Å; R1289-Q1293 WeakPolarHBondContact O-CB 3.49Å; R1289-Q1293 PolarHBondContact O-N 3.24Å |
| 1290 | S | 95.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.014 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -73.8 | -28.2 | -179.2 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | W1266 T1286 L1287 L1288 S1294 | W1266-S1290 PolarHBondContact NE1-OG 3.09Å; T1286-S1290 PolarHBondContact O-N 2.92Å; T1286-S1290 PolarHBondContact O-OG 3.37Å; L1287-S1290 PolarHBondContact O-N 3.36Å; L1287-S1290 PolarHBondContact O-OG 2.88Å; L1288-S1290 PolarHBondContact O-N 3.41Å; S1290-S1294 WeakPolarHBondContact O-CB 3.37Å; S1290-S1294 PolarHBondContact O-N 2.98Å; S1290-S1294 PolarHBondContact O-OG 2.92Å |
| 1291 | F | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -68.1 | -47.8 | 169.5 | -178 | -123.3 | 0 | 0 | 0 | 111.7 | I831 L832 W1266 L1287 L1288 Q1293 S1294 Q1295 I1368 L1371 A1372 | I831-F1291 HydrophobicContact CB-CE1 4.28Å; I831-F1291 HydrophobicContact CG2-CD1 3.97Å; I831-F1291 HydrophobicContact CG2-CE1 3.86Å; L832-F1291 HydrophobicContact CD1-CZ 3.98Å; L832-F1291 HydrophobicContact CD2-CE1 4.22Å; L832-F1291 HydrophobicContact CD2-CE2 4.41Å; L832-F1291 HydrophobicContact CD2-CZ 3.72Å; L832-F1291 HydrophobicContact CG-CE1 4.13Å; L832-F1291 HydrophobicContact CG-CZ 3.72Å; W1266-F1291 HydrophobicContact CH2-CB 4.25Å; W1266-F1291 HydrophobicContact CZ2-CB 4.07Å; L1287-F1291 WeakPolarHBondContact O-CB 3.44Å; L1287-F1291 PolarHBondContact O-N 3.5Å; L1288-F1291 PolarHBondContact O-N 2.95Å; F1291-Q1293 PolarHBondContact O-N 3.41Å; F1291-S1294 WeakPolarHBondContact O-CB 3.49Å; F1291-S1294 PolarHBondContact O-N 3.2Å; F1291-Q1295 PolarHBondContact O-N 2.83Å; F1291-I1368 HydrophobicContact CE2-CG2 3.95Å; F1291-I1368 HydrophobicContact CZ-CG2 4.41Å; F1291-L1371 HydrophobicContact CD2-CB 3.76Å; F1291-L1371 HydrophobicContact CD2-CD1 4.49Å; F1291-L1371 HydrophobicContact CE2-CB 3.99Å; F1291-A1372 HydrophobicContact CE2-CB 4.1Å; F1291-A1372 HydrophobicContact CZ-CB 3.9Å |
| 1292 | I | 93.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -55.3 | -51 | 173.3 | -71.6 | 163.5 | 0 | 0 | 0 | 110.4 | T819 L822 I831 L835 L1288 R1289 S1294 Q1295 L1296 | T819-I1292 HydrophobicContact CG2-CG2 3.83Å; L822-I1292 HydrophobicContact CB-CD1 4.17Å; L822-I1292 HydrophobicContact CD1-CD1 3.74Å; L822-I1292 HydrophobicContact CD1-CG1 3.99Å; I831-I1292 HydrophobicContact CG2-CG1 4.32Å; L835-I1292 HydrophobicContact CD1-CB 4.39Å; L835-I1292 HydrophobicContact CD1-CG1 4.06Å; L835-I1292 HydrophobicContact CD2-CG1 4.39Å; L835-I1292 HydrophobicContact CD2-CG2 3.98Å; L1288-I1292 HydrophobicContact CD1-CD1 3.78Å; L1288-I1292 HydrophobicContact CD1-CG1 4.23Å; L1288-I1292 HydrophobicContact CG-CD1 3.81Å; L1288-I1292 WeakPolarHBondContact O-CB 3.39Å; L1288-I1292 WeakPolarHBondContact O-CD1 3.47Å; L1288-I1292 VanDerWaalsContact O-CG1 3.23Å; L1288-I1292 WeakPolarHBondContact O-CG1 3.3Å; L1288-I1292 PolarHBondContact O-N 2.74Å; R1289-I1292 PolarHBondContact O-N 2.85Å; I1292-S1294 VanDerWaalsContact C-N 3.32Å; I1292-S1294 PolarHBondContact O-N 3.27Å; I1292-Q1295 PolarHBondContact O-N 3.25Å; I1292-L1296 HydrophobicContact CG2-CD1 3.53Å; I1292-L1296 HydrophobicContact CG2-CG 4.3Å; I1292-L1296 VanDerWaalsContact O-CG 3.29Å; I1292-L1296 WeakPolarHBondContact O-CG 3.48Å; I1292-L1296 PolarHBondContact O-N 2.88Å |
| 1293 | Q | 92.6 | Very high | 94.2 | Very high | 82 Ų | 82 | 20.7 Ų | 20.7 | 38% | 0.383 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -62.6 | -37.4 | -179.6 | -170.6 | 177.7 | 13 | 0 | 0 | 112.5 | R1289 F1291 T1297 | R1289-Q1293 WeakPolarHBondContact O-CB 3.49Å; R1289-Q1293 PolarHBondContact O-N 3.24Å; F1291-Q1293 PolarHBondContact O-N 3.41Å; Q1293-T1297 WeakPolarHBondContact O-CB 3.3Å; Q1293-T1297 PolarHBondContact O-N 3.47Å; Q1293-T1297 VanDerWaalsContact O-N 3.12Å; Q1293-T1297 PolarHBondContact O-OG1 3.31Å |
| 1294 | S | 95.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 24.3 Ų | 24.3 | 4% | 0.035 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61 | -52.3 | 174.1 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | S1290 F1291 I1292 L1296 T1297 T1298 | S1290-S1294 WeakPolarHBondContact O-CB 3.37Å; S1290-S1294 PolarHBondContact O-N 2.98Å; S1290-S1294 PolarHBondContact O-OG 2.92Å; F1291-S1294 WeakPolarHBondContact O-CB 3.49Å; F1291-S1294 PolarHBondContact O-N 3.2Å; I1292-S1294 VanDerWaalsContact C-N 3.32Å; I1292-S1294 PolarHBondContact O-N 3.27Å; S1294-L1296 PolarHBondContact O-N 3.03Å; S1294-T1297 PolarHBondContact O-N 3.26Å; S1294-T1298 PolarHBondContact O-N 3.02Å; S1294-T1298 PolarHBondContact O-OG1 2.74Å |
| 1295 | Q | 94.8 | Very high | 93.8 | Very high | 26 Ų | 26 | 29 Ų | 29 | 12% | 0.121 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -46.6 | -178.3 | -177.6 | 61.2 | 37.4 | 0 | 0 | 112.3 | L832 L835 F1291 I1292 T1297 T1298 D1299 | L832-Q1295 HydrophobicContact CD2-CB 4.25Å; L832-Q1295 HydrophobicContact CD2-CG 3.81Å; L835-Q1295 HydrophobicContact CB-CG 4.19Å; L835-Q1295 HydrophobicContact CD1-CB 3.96Å; L835-Q1295 HydrophobicContact CD1-CG 4.09Å; F1291-Q1295 PolarHBondContact O-N 2.83Å; I1292-Q1295 PolarHBondContact O-N 3.25Å; Q1295-T1297 VanDerWaalsContact C-N 3.26Å; Q1295-T1297 PolarHBondContact O-N 3.5Å; Q1295-T1298 WeakPolarHBondContact O-CB 3.31Å; Q1295-T1298 PolarHBondContact O-N 3.31Å; Q1295-T1298 VanDerWaalsContact O-N 3.08Å; Q1295-D1299 PolarHBondContact NE2-OD1 3.33Å; Q1295-D1299 PolarHBondContact O-N 3.2Å |
| 1296 | L | 92.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.2 | -35.9 | -179.9 | -68.1 | 169.8 | 0 | 0 | 0 | 112 | T819 L835 L838 G839 W845 I1292 S1294 F1300 | T819-L1296 HydrophobicContact CG2-CD1 4.03Å; L835-L1296 HydrophobicContact CD2-CD1 4.48Å; L835-L1296 HydrophobicContact CD2-CD2 4.13Å; L835-L1296 HydrophobicContact CD2-CG 4.29Å; L838-L1296 HydrophobicContact CB-CD2 3.77Å; G839-L1296 WeakPolarHBondContact CA-O 3.48Å; W845-L1296 HydrophobicContact CB-CD1 4.18Å; W845-L1296 HydrophobicContact CD2-CB 3.83Å; W845-L1296 HydrophobicContact CD2-CD1 3.96Å; W845-L1296 HydrophobicContact CD2-CG 4.44Å; W845-L1296 HydrophobicContact CE3-CB 3.97Å; W845-L1296 HydrophobicContact CG-CB 4.48Å; W845-L1296 HydrophobicContact CG-CD1 3.72Å; W845-L1296 HydrophobicContact CH2-CB 4.01Å; W845-L1296 WeakPolarHBondContact CH2-O 3.37Å; W845-L1296 HydrophobicContact CZ2-CB 3.86Å; W845-L1296 HydrophobicContact CZ3-CB 4.05Å; I1292-L1296 HydrophobicContact CG2-CD1 3.53Å; I1292-L1296 HydrophobicContact CG2-CG 4.3Å; I1292-L1296 VanDerWaalsContact O-CG 3.29Å; I1292-L1296 WeakPolarHBondContact O-CG 3.48Å; I1292-L1296 PolarHBondContact O-N 2.88Å; S1294-L1296 PolarHBondContact O-N 3.03Å; L1296-F1300 WeakPolarHBondContact O-CB 3.44Å; L1296-F1300 PolarHBondContact O-N 3.47Å; L1296-F1300 VanDerWaalsContact O-N 3.07Å |
| 1297 | T | 92.9 | Very high | 93.6 | Very high | 10 Ų | 10 | 33.9 Ų | 33.9 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.4 | -41.7 | 172.9 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | Q1293 S1294 Q1295 F1300 L1301 I1332 F1334 L1347 | Q1293-T1297 WeakPolarHBondContact O-CB 3.3Å; Q1293-T1297 PolarHBondContact O-N 3.47Å; Q1293-T1297 VanDerWaalsContact O-N 3.12Å; Q1293-T1297 PolarHBondContact O-OG1 3.31Å; S1294-T1297 PolarHBondContact O-N 3.26Å; Q1295-T1297 VanDerWaalsContact C-N 3.26Å; Q1295-T1297 PolarHBondContact O-N 3.5Å; T1297-F1300 PolarHBondContact O-N 3.49Å; T1297-L1301 HydrophobicContact CG2-CD1 4.12Å; T1297-L1301 VanDerWaalsContact O-CG 3.24Å; T1297-L1301 WeakPolarHBondContact O-CG 3.46Å; T1297-L1301 PolarHBondContact O-N 3.34Å; T1297-L1301 VanDerWaalsContact O-N 3.13Å; T1297-I1332 HydrophobicContact CG2-CB 4.1Å; T1297-I1332 HydrophobicContact CG2-CG1 4.24Å; T1297-I1332 HydrophobicContact CG2-CG2 3.8Å; T1297-F1334 HydrophobicContact CG2-CE2 4.33Å; T1297-F1334 HydrophobicContact CG2-CZ 4.05Å; T1297-L1347 HydrophobicContact CG2-CD2 4.36Å |
| 1298 | T | 94 | Very high | 93.4 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 9% | 0.092 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61 | -52.6 | 174.9 | -64.8 | 0 | 0 | 0 | 0 | 111.9 | S1294 Q1295 F1300 L1301 E1302 I1308 | S1294-T1298 PolarHBondContact O-N 3.02Å; S1294-T1298 PolarHBondContact O-OG1 2.74Å; Q1295-T1298 WeakPolarHBondContact O-CB 3.31Å; Q1295-T1298 PolarHBondContact O-N 3.31Å; Q1295-T1298 VanDerWaalsContact O-N 3.08Å; T1298-F1300 VanDerWaalsContact C-N 3.3Å; T1298-F1300 PolarHBondContact O-N 2.84Å; T1298-L1301 PolarHBondContact O-N 3.42Å; T1298-L1301 VanDerWaalsContact O-N 3.1Å; T1298-E1302 HydrophobicContact CG2-CG 4.46Å; T1298-E1302 PolarHBondContact O-N 3.05Å; T1298-I1308 HydrophobicContact CG2-CD1 4.09Å |
| 1299 | D | 92.8 | Very high | 93.4 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 4% | 0.043 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -49.5 | -48.7 | 174.1 | -87.2 | 32.9 | 0 | 0 | 0 | 111.7 | G837 G839 H840 Q1295 L1301 E1302 K1303 | G837-D1299 VanDerWaalsContact CA-OD2 3.25Å; G837-D1299 WeakPolarHBondContact CA-OD2 3.44Å; G837-D1299 PolarHBondContact N-OD2 3.25Å; G839-D1299 PolarHBondContact N-OD2 2.73Å; H840-D1299 PolarHBondContact CD2-O 2.82Å; Q1295-D1299 PolarHBondContact NE2-OD1 3.33Å; Q1295-D1299 PolarHBondContact O-N 3.2Å; D1299-L1301 VanDerWaalsContact C-N 3.34Å; D1299-L1301 PolarHBondContact O-N 3.07Å; D1299-E1302 PolarHBondContact O-N 2.91Å; D1299-K1303 WeakPolarHBondContact O-CB 3.37Å; D1299-K1303 PolarHBondContact O-N 3.08Å |
| 1300 | F | 91.9 | Very high | 93.4 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 2% | 0.022 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -41.8 | 179.7 | 174.1 | -117.3 | 0 | 0 | 0 | 112.8 | G839 W845 L1296 T1297 T1298 K1303 M1304 L1347 L1357 | G839-F1300 WeakPolarHBondContact O-CA 3.5Å; G839-F1300 WeakPolarHBondContact O-CB 3.12Å; W845-F1300 HydrophobicContact CH2-CB 3.89Å; W845-F1300 HydrophobicContact CH2-CG 4.44Å; W845-F1300 HydrophobicContact CZ2-CB 4.35Å; L1296-F1300 WeakPolarHBondContact O-CB 3.44Å; L1296-F1300 PolarHBondContact O-N 3.47Å; L1296-F1300 VanDerWaalsContact O-N 3.07Å; T1297-F1300 PolarHBondContact O-N 3.49Å; T1298-F1300 VanDerWaalsContact C-N 3.3Å; T1298-F1300 PolarHBondContact O-N 2.84Å; F1300-K1303 WeakPolarHBondContact O-CB 3.22Å; F1300-K1303 PolarHBondContact O-N 3.19Å; F1300-M1304 HydrophobicContact CD2-CG 4.36Å; F1300-M1304 HydrophobicContact CE1-CG 4.49Å; F1300-M1304 HydrophobicContact CE2-CE 3.51Å; F1300-M1304 HydrophobicContact CE2-CG 3.94Å; F1300-M1304 HydrophobicContact CZ-CE 3.85Å; F1300-M1304 HydrophobicContact CZ-CG 4Å; F1300-M1304 WeakPolarHBondContact O-CG 3.13Å; F1300-M1304 PolarHBondContact O-N 2.9Å; F1300-L1347 HydrophobicContact CD1-CD1 4.22Å; F1300-L1347 HydrophobicContact CE1-CD1 4.11Å; F1300-L1357 HydrophobicContact CE1-CD1 3.91Å |
| 1301 | L | 93.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -73.6 | -36.4 | -179 | -66.2 | 174.4 | 0 | 0 | 0 | 112.2 | T1297 T1298 D1299 M1304 N1305 L1306 I1308 I1332 F1334 L1357 I1362 | T1297-L1301 HydrophobicContact CG2-CD1 4.12Å; T1297-L1301 VanDerWaalsContact O-CG 3.24Å; T1297-L1301 WeakPolarHBondContact O-CG 3.46Å; T1297-L1301 PolarHBondContact O-N 3.34Å; T1297-L1301 VanDerWaalsContact O-N 3.13Å; T1298-L1301 PolarHBondContact O-N 3.42Å; T1298-L1301 VanDerWaalsContact O-N 3.1Å; D1299-L1301 VanDerWaalsContact C-N 3.34Å; D1299-L1301 PolarHBondContact O-N 3.07Å; L1301-M1304 CarbonylContact O-C 3.58Å; L1301-M1304 PolarHBondContact O-N 3.24Å; L1301-N1305 PolarHBondContact O-N 2.99Å; L1301-N1305 VanDerWaalsContact O-N 3.08Å; L1301-L1306 HydrophobicContact CB-CB 4.46Å; L1301-L1306 HydrophobicContact CD2-CB 4.29Å; L1301-L1306 HydrophobicContact CD2-CD1 3.74Å; L1301-L1306 PolarHBondContact O-N 3.03Å; L1301-I1308 HydrophobicContact CB-CD1 4.17Å; L1301-I1308 HydrophobicContact CB-CG1 4.3Å; L1301-I1308 HydrophobicContact CD1-CD1 3.87Å; L1301-I1308 HydrophobicContact CD1-CG1 3.88Å; L1301-I1332 HydrophobicContact CD1-CG2 4.05Å; L1301-F1334 HydrophobicContact CD1-CE1 4.31Å; L1301-F1334 HydrophobicContact CD1-CZ 4.1Å; L1301-F1334 HydrophobicContact CD2-CE1 4.15Å; L1301-F1334 HydrophobicContact CD2-CZ 4.44Å; L1301-L1357 HydrophobicContact CD2-CD1 3.98Å; L1301-I1362 HydrophobicContact CD1-CD1 4.1Å; L1301-I1362 HydrophobicContact CD1-CG2 3.85Å; L1301-I1362 HydrophobicContact CD2-CD1 3.7Å; L1301-I1362 HydrophobicContact CG-CD1 4.47Å |
| 1302 | E | 91.9 | Very high | 92.7 | Very high | 124 Ų | 124 | 51.4 Ų | 51.4 | 58% | 0.579 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -60.5 | -45.5 | 169.6 | -72.1 | -175.5 | -166 | 0 | 0 | 111 | T1298 D1299 M1304 N1305 | T1298-E1302 HydrophobicContact CG2-CG 4.46Å; T1298-E1302 PolarHBondContact O-N 3.05Å; D1299-E1302 PolarHBondContact O-N 2.91Å; E1302-M1304 VanDerWaalsContact C-N 3.28Å; E1302-M1304 PolarHBondContact O-N 3.3Å; E1302-N1305 WeakPolarHBondContact O-CA 3.22Å; E1302-N1305 PolarHBondContact O-N 3.16Å |
| 1303 | K | 91.5 | Very high | 92.2 | Very high | 85 Ų | 85 | 53.1 Ų | 53.1 | 37% | 0.37 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59 | -36.9 | 174.1 | 176.1 | 63 | 177.3 | -178 | 0 | 112.8 | H840 D1299 F1300 N1305 | H840-K1303 HydrophobicContact CB-CB 4.29Å; H840-K1303 HydrophobicContact CB-CD 4.29Å; H840-K1303 HydrophobicContact CB-CG 4.11Å; D1299-K1303 WeakPolarHBondContact O-CB 3.37Å; D1299-K1303 PolarHBondContact O-N 3.08Å; F1300-K1303 WeakPolarHBondContact O-CB 3.22Å; F1300-K1303 PolarHBondContact O-N 3.19Å; K1303-N1305 VanDerWaalsContact C-N 3.27Å; K1303-N1305 PolarHBondContact O-N 3.35Å; K1303-N1305 PolarHBondContact O-ND2 3.34Å |
| 1304 | M | 90.6 | Very high | 91.6 | Very high | 77 Ų | 77 | 58.1 Ų | 58.1 | 38% | 0.379 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -1.5 | 174.7 | -70.6 | -64.8 | 177.8 | 0 | 0 | 114.1 | F1300 L1301 E1302 L1306 | F1300-M1304 HydrophobicContact CD2-CG 4.36Å; F1300-M1304 HydrophobicContact CE1-CG 4.49Å; F1300-M1304 HydrophobicContact CE2-CE 3.51Å; F1300-M1304 HydrophobicContact CE2-CG 3.94Å; F1300-M1304 HydrophobicContact CZ-CE 3.85Å; F1300-M1304 HydrophobicContact CZ-CG 4Å; F1300-M1304 WeakPolarHBondContact O-CG 3.13Å; F1300-M1304 PolarHBondContact O-N 2.9Å; L1301-M1304 CarbonylContact O-C 3.58Å; L1301-M1304 PolarHBondContact O-N 3.24Å; E1302-M1304 VanDerWaalsContact C-N 3.28Å; E1302-M1304 PolarHBondContact O-N 3.3Å; M1304-L1306 HydrophobicContact CB-CD1 3.73Å; M1304-L1306 HydrophobicContact CB-CG 3.88Å; M1304-L1306 PolarHBondContact O-N 3.38Å |
| 1305 | N | 93.6 | Very high | 90.5 | Very high | 113 Ų | 113 | 63.3 Ų | 63.3 | 60% | 0.604 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 31.2 | -174.8 | -62.1 | -110.1 | 0 | 0 | 0 | 113.4 | N649 L1301 E1302 K1303 | N649-N1305 PolarHBondContact ND2-OD1 2.73Å; L1301-N1305 PolarHBondContact O-N 2.99Å; L1301-N1305 VanDerWaalsContact O-N 3.08Å; E1302-N1305 WeakPolarHBondContact O-CA 3.22Å; E1302-N1305 PolarHBondContact O-N 3.16Å; K1303-N1305 VanDerWaalsContact C-N 3.27Å; K1303-N1305 PolarHBondContact O-N 3.35Å; K1303-N1305 PolarHBondContact O-ND2 3.34Å |
| 1306 | L | 93.7 | Very high | 89.6 | Confident | 28 Ų | 28 | 67.1 Ų | 67.1 | 15% | 0.147 | 34% | 0.338 | C | S | . | . | trans | -93.3 | 126.6 | -179.4 | -66.5 | 170.3 | 0 | 0 | 0 | 110.6 | L1301 M1304 I1308 L1357 K1358 I1362 | L1301-L1306 HydrophobicContact CB-CB 4.46Å; L1301-L1306 HydrophobicContact CD2-CB 4.29Å; L1301-L1306 HydrophobicContact CD2-CD1 3.74Å; L1301-L1306 PolarHBondContact O-N 3.03Å; M1304-L1306 HydrophobicContact CB-CD1 3.73Å; M1304-L1306 HydrophobicContact CB-CG 3.88Å; M1304-L1306 PolarHBondContact O-N 3.38Å; L1306-I1308 PolarHBondContact O-N 3.46Å; L1306-L1357 HydrophobicContact CD1-CB 3.75Å; L1306-L1357 HydrophobicContact CD1-CD1 4.32Å; L1306-K1358 HydrophobicContact CD2-CG 4.24Å; L1306-I1362 HydrophobicContact CB-CD1 4.04Å; L1306-I1362 HydrophobicContact CD1-CD1 4.2Å | ||
| 1307 | T | 92.4 | Very high | 89.2 | Confident | 114 Ų | 114 | 69.1 Ų | 69.1 | 70% | 0.699 | 35% | 0.349 | S | S | * | . | trans | -79.4 | 108.8 | -175.4 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | K1309 | T1307-K1309 PolarHBondContact O-N 3.31Š| ||
| 1308 | I | 94.5 | Very high | 89.1 | Confident | 47 Ų | 47 | 73 Ų | 73 | 24% | 0.241 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 121.2 | 167.9 | -56.4 | 171.9 | 0 | 0 | 0 | 108.4 | T1298 L1301 L1306 I1362 | T1298-I1308 HydrophobicContact CG2-CD1 4.09Å; L1301-I1308 HydrophobicContact CB-CD1 4.17Å; L1301-I1308 HydrophobicContact CB-CG1 4.3Å; L1301-I1308 HydrophobicContact CD1-CD1 3.87Å; L1301-I1308 HydrophobicContact CD1-CG1 3.88Å; L1306-I1308 PolarHBondContact O-N 3.46Å; I1308-I1362 HydrophobicContact CG1-CG2 4.18Å; I1308-I1362 HydrophobicContact CG2-CG2 4.49Å |
| 1309 | K | 94.7 | Very high | 89.1 | Confident | 113 Ų | 113 | 73 Ų | 73 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 126.4 | 171.7 | -64.7 | -179.4 | -179.5 | -179.8 | 0 | 109.1 | T1307 H1311 I1362 L1363 S1364 | T1307-K1309 PolarHBondContact O-N 3.31Å; K1309-H1311 PolarHBondContact O-N 3.49Å; K1309-I1362 PolarHBondContact N-O 3.49Å; K1309-L1363 HydrophobicContact CB-CD2 4.02Å; K1309-L1363 CarbonylContact O-C 3.6Å; K1309-L1363 VanDerWaalsContact O-CA 3.28Å; K1309-L1363 WeakPolarHBondContact O-CA 3.33Å; K1309-S1364 PolarHBondContact O-N 3.37Å |
| 1310 | H | 93.2 | Very high | 89.2 | Confident | 93 Ų | 93 | 75.1 Ų | 75.1 | 43% | 0.431 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 126.5 | 169.5 | -175.4 | 58.3 | 0 | 0 | 0 | 109.4 | G1312 S1364 E1365 H1367 | H1310-G1312 VanDerWaalsContact CE1-CA 3.48Å; H1310-G1312 WeakPolarHBondContact CE1-CA 3.47Å; H1310-G1312 PolarHBondContact CE1-N 3.5Å; H1310-G1312 WeakPolarHBondContact NE2-CA 3.23Å; H1310-S1364 PolarHBondContact ND1-O 3.03Å; H1310-S1364 VanDerWaalsContact ND1-O 3.12Å; H1310-E1365 PolarHBondContact CE1-O 2.91Å; H1310-H1367 AromaticContact CD2-NE2 3.64Å; H1310-H1367 AromaticContact CG-CE1 3.63Å; H1310-H1367 AromaticContact CG-NE2 3.66Å; H1310-H1367 AromaticContact ND1-CE1 3.84Å; H1310-H1367 AromaticContact ND1-NE2 3.92Å; H1310-H1367 AromaticContact NE2-NE2 3.89Å |
| 1311 | H | 89.2 | Confident | 89.4 | Confident | 117 Ų | 117 | 76.5 Ų | 76.5 | 54% | 0.542 | 39% | 0.39 | S | S | . | . | trans | -99.9 | -30.4 | 175.8 | -170.7 | 65.1 | 0 | 0 | 0 | 111.2 | K1309 L1363 S1364 | K1309-H1311 PolarHBondContact O-N 3.49Å; H1311-L1363 HydrophobicContact CB-CB 4.14Å; H1311-L1363 HydrophobicContact CB-CD1 4.27Å; H1311-L1363 HydrophobicContact CB-CD2 4.49Å; H1311-S1364 PolarHBondContact N-O 3.13Å | ||
| 1312 | G | 86.7 | Confident | 89.4 | Confident | 16 Ų | 16 | 76.6 Ų | 76.6 | 17% | 0.165 | 39% | 0.39 | C | S | . | . | trans | 75.8 | 174.3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H1310 S1364 E1365 | H1310-G1312 VanDerWaalsContact CE1-CA 3.48Å; H1310-G1312 WeakPolarHBondContact CE1-CA 3.47Å; H1310-G1312 PolarHBondContact CE1-N 3.5Å; H1310-G1312 WeakPolarHBondContact NE2-CA 3.23Å; G1312-S1364 PolarHBondContact N-O 2.96Å; G1312-E1365 CarbonylContact C-O 3.58Å; G1312-E1365 VanDerWaalsContact C-O 3.27Å; G1312-E1365 VanDerWaalsContact CA-O 3.3Å; G1312-E1365 WeakPolarHBondContact CA-O 3.4Å | ||
| 1313 | K | 84 | Confident | 89.4 | Confident | 37 Ų | 37 | 75.6 Ų | 75.6 | 16% | 0.161 | 39% | 0.385 | C | S | . | . | trans | -135.6 | 126.6 | 167.7 | -163.7 | 163.9 | -163.5 | 157.9 | 0 | 111.1 | H1263 D1317 I1318 E1365 Y1366 | H1263-K1313 PolarHBondContact ND1-NZ 3.21Å; K1313-D1317 HydrophobicContact CD-CB 4.39Å; K1313-D1317 VanDerWaalsContact CE-O 3.24Å; K1313-D1317 WeakPolarHBondContact CE-O 3.43Å; K1313-D1317 HydrophobicContact CG-CB 3.71Å; K1313-I1318 WeakPolarHBondContact CE-O 3.44Å; K1313-I1318 PolarHBondContact NZ-O 2.94Å; K1313-E1365 HydrophobicContact CB-CB 4.24Å; K1313-E1365 HydrophobicContact CD-CB 4.48Å; K1313-E1365 HydrophobicContact CD-CG 4.49Å; K1313-E1365 WeakPolarHBondContact CD-OE1 3.35Å; K1313-E1365 WeakPolarHBondContact CE-OE1 3.4Å; K1313-E1365 PolarHBondContact N-O 3.39Å; K1313-E1365 IonicContact NZ-OE1 2.66Å; K1313-E1365 PolarHBondContact NZ-OE1 3.02Å; K1313-Y1366 HydrophobicContact CB-CE1 4Å; K1313-Y1366 HydrophobicContact CD-CE2 4.26Å | ||
| 1314 | R | 80.3 | Confident | 89.3 | Confident | 187 Ų | 187 | 72.1 Ų | 72.1 | 71% | 0.706 | 37% | 0.371 | S | S | * | . | trans | -82.9 | 167.3 | 178 | -54.5 | 174.5 | 178.5 | -164.5 | 0.1 | 110.7 | D1316 D1317 | R1314-D1316 WeakPolarHBondContact CB-OD1 3.5Å; R1314-D1316 PolarHBondContact O-N 3.41Å; R1314-D1317 HydrophobicContact CB-CB 4.48Å; R1314-D1317 VanDerWaalsContact CB-OD2 3.31Å; R1314-D1317 WeakPolarHBondContact CB-OD2 3.49Å; R1314-D1317 WeakPolarHBondContact CG-OD2 3.47Å; R1314-D1317 PolarHBondContact N-OD2 3.33Å; R1314-D1317 PolarHBondContact O-N 3.39Å | ||
| 1315 | S | 71.5 | Confident | 89.2 | Confident | 113 Ų | 113 | 70.4 Ų | 70.4 | 79% | 0.79 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -26 | 176.8 | 40.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1316 | D | 75.9 | Confident | 89.1 | Confident | 106 Ų | 106 | 67.4 Ų | 67.4 | 57% | 0.567 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -3.5 | -172.5 | 48.9 | -47.8 | 0 | 0 | 0 | 113.4 | R1314 | R1314-D1316 WeakPolarHBondContact CB-OD1 3.5Å; R1314-D1316 PolarHBondContact O-N 3.41Å |
| 1317 | D | 84.4 | Confident | 89.1 | Confident | 44 Ų | 44 | 67.8 Ų | 67.8 | 24% | 0.235 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 128.2 | -179.9 | -73.1 | -22.9 | 0 | 0 | 0 | 112 | K1313 R1314 | K1313-D1317 HydrophobicContact CD-CB 4.39Å; K1313-D1317 VanDerWaalsContact CE-O 3.24Å; K1313-D1317 WeakPolarHBondContact CE-O 3.43Å; K1313-D1317 HydrophobicContact CG-CB 3.71Å; R1314-D1317 HydrophobicContact CB-CB 4.48Å; R1314-D1317 VanDerWaalsContact CB-OD2 3.31Å; R1314-D1317 WeakPolarHBondContact CB-OD2 3.49Å; R1314-D1317 WeakPolarHBondContact CG-OD2 3.47Å; R1314-D1317 PolarHBondContact N-OD2 3.33Å; R1314-D1317 PolarHBondContact O-N 3.39Å |
| 1318 | I | 91.7 | Very high | 89.2 | Confident | 91 Ų | 91 | 63.5 Ų | 63.5 | 47% | 0.467 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 158.7 | 179.7 | 64.8 | 175.3 | 0 | 0 | 0 | 112.4 | Y1115 K1313 | Y1115-I1318 HydrophobicContact CD1-CB 4.36Å; Y1115-I1318 HydrophobicContact CD1-CG2 4.31Å; Y1115-I1318 HydrophobicContact CD2-CB 4.26Å; Y1115-I1318 HydrophobicContact CD2-CG2 3.72Å; Y1115-I1318 HydrophobicContact CE1-CB 4.18Å; Y1115-I1318 HydrophobicContact CE2-CB 4.05Å; Y1115-I1318 HydrophobicContact CE2-CG2 3.97Å; Y1115-I1318 HydrophobicContact CG-CB 4.4Å; Y1115-I1318 HydrophobicContact CG-CG2 3.89Å; K1313-I1318 WeakPolarHBondContact CE-O 3.44Å; K1313-I1318 PolarHBondContact NZ-O 2.94Å |
| 1319 | A | 94.2 | Very high | 89.3 | Confident | 15 Ų | 15 | 61.7 Ų | 61.7 | 12% | 0.124 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 136 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y1115 P1260 H1263 | Y1115-A1319 HydrophobicContact CE1-CB 4.25Å; Y1115-A1319 WeakPolarHBondContact OH-CB 3.49Å; Y1115-A1319 PolarHBondContact OH-N 2.85Å; Y1115-A1319 VanDerWaalsContact OH-N 3.17Å; P1260-A1319 HydrophobicContact CB-CB 3.43Å; P1260-A1319 VanDerWaalsContact CB-CB 3.43Å; P1260-A1319 HydrophobicContact CG-CB 3.67Å; H1263-A1319 HydrophobicContact CB-CB 3.85Å |
| 1320 | H | 94.6 | Very high | 89.3 | Confident | 52 Ų | 52 | 57.6 Ų | 57.6 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 149.7 | -178 | -62.1 | -68.7 | 0 | 0 | 0 | 111.7 | V1329 L1333 V1344 E1365 | H1320-V1329 PolarHBondContact O-N 3.49Å; H1320-L1333 HydrophobicContact CB-CD2 4.44Å; H1320-L1333 VanDerWaalsContact CD2-CD1 3.47Å; H1320-L1333 WeakPolarHBondContact CD2-CD1 3.34Å; H1320-V1344 HydrophobicContact CB-CB 4.34Å; H1320-V1344 HydrophobicContact CB-CG1 3.96Å; H1320-V1344 HydrophobicContact CB-CG2 4.32Å; H1320-E1365 IonicContact CD2-OE1 2.82Å |
| 1321 | S | 94.9 | Very high | 89.5 | Confident | 35 Ų | 35 | 53.1 Ų | 53.1 | 25% | 0.245 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 140.5 | 169.4 | 62.7 | 0 | 0 | 0 | 0 | 109.5 | K1256 H1323 I1327 | K1256-S1321 PolarHBondContact NZ-OG 2.97Å; S1321-H1323 PolarHBondContact O-N 3.12Å; S1321-I1327 CarbonylContact C-O 3.52Å; S1321-I1327 WeakPolarHBondContact CA-O 3.47Å |
| 1322 | C | 94.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | trans | -57.1 | 129.6 | 177.7 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | D1324 C1325 E1326 I1327 V1329 C1346 | C1322-D1324 VanDerWaalsContact C-N 3.29Å; C1322-D1324 PolarHBondContact O-N 3.03Å; C1322-C1325 PolarHBondContact SG-SG 3.19Å; C1322-E1326 VanDerWaalsContact O-CA 3.23Å; C1322-E1326 WeakPolarHBondContact O-CA 3.49Å; C1322-E1326 PolarHBondContact O-N 3.5Å; C1322-I1327 HydrophobicContact CB-CG2 4.16Å; C1322-I1327 PolarHBondContact N-O 3.21Å; C1322-V1329 HydrophobicContact CB-CG2 3.8Å; C1322-C1346 HydrophobicContact CB-CB 4.17Å | ||
| 1323 | H | 91.4 | Very high | 90.3 | Very high | 104 Ų | 104 | 47.4 Ų | 47.4 | 48% | 0.481 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -39.4 | -179.1 | -178.5 | 75.9 | 0 | 0 | 0 | 113.5 | S1321 V1343 V1344 | S1321-H1323 PolarHBondContact O-N 3.12Å; H1323-V1343 HydrophobicContact CB-CG1 3.37Å; H1323-V1343 VanDerWaalsContact CG-CG1 3.5Å; H1323-V1344 PolarHBondContact N-O 3.02Å |
| 1324 | D | 88.9 | Confident | 90.9 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 6% | 0.059 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -40.6 | -172.7 | -33.9 | -90.9 | 0 | 0 | 0 | 112.1 | Q207 N210 C1322 R1345 | Q207-D1324 HydrophobicContact CG-CB 4.04Å; Q207-D1324 PolarHBondContact NE2-O 3.22Å; N210-D1324 PolarHBondContact ND2-OD1 2.83Å; C1322-D1324 VanDerWaalsContact C-N 3.29Å; C1322-D1324 PolarHBondContact O-N 3.03Å; D1324-R1345 VanDerWaalsContact CG-NE 3.34Å; D1324-R1345 IonicContact OD1-CZ 3.09Å; D1324-R1345 IonicContact OD1-NE 3.37Å; D1324-R1345 PolarHBondContact OD1-NE 3.01Å; D1324-R1345 VanDerWaalsContact OD1-NE 3.15Å; D1324-R1345 IonicContact OD1-NH2 3.91Å; D1324-R1345 PolarHBondContact OD1-NH2 3.44Å; D1324-R1345 WeakPolarHBondContact OD2-CD 3.46Å; D1324-R1345 WeakPolarHBondContact OD2-CG 3.35Å; D1324-R1345 IonicContact OD2-CZ 3.49Å; D1324-R1345 IonicContact OD2-NE 2.7Å; D1324-R1345 PolarHBondContact OD2-NE 3.38Å; D1324-R1345 IonicContact OD2-NH2 2.72Å |
| 1325 | C | 89.3 | Confident | 91.6 | Very high | 42 Ų | 42 | 37.2 Ų | 37.2 | 28% | 0.284 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 2.2 | -174.4 | 69.8 | 0 | 0 | 0 | 0 | 116.3 | C1322 I1327 | C1322-C1325 PolarHBondContact SG-SG 3.19Å; C1325-I1327 PolarHBondContact O-N 2.91Å |
| 1326 | E | 91.9 | Very high | 92.5 | Very high | 50 Ų | 50 | 33.4 Ų | 33.4 | 23% | 0.234 | 18% | 0.176 | C | C | . | . | trans | 60.2 | -1.4 | 175.4 | -60.7 | -166.4 | 140.3 | 0 | 0 | 118.4 | R203 K1256 C1322 | R203-E1326 IonicContact CZ-OE1 3.78Å; R203-E1326 IonicContact CZ-OE2 2.72Å; R203-E1326 VanDerWaalsContact NH1-CD 3.3Å; R203-E1326 IonicContact NH1-OE1 3.69Å; R203-E1326 IonicContact NH1-OE2 3.99Å; R203-E1326 PolarHBondContact NH1-OE2 2.95Å; R203-E1326 IonicContact NH2-OE1 3.25Å; R203-E1326 PolarHBondContact NH2-OE1 3.16Å; R203-E1326 IonicContact NH2-OE2 3.96Å; R203-E1326 PolarHBondContact NH2-OE2 3.37Å; K1256-E1326 HydrophobicContact CB-CB 3.89Å; K1256-E1326 HydrophobicContact CB-CG 4.44Å; K1256-E1326 WeakPolarHBondContact CB-OE2 3.43Å; K1256-E1326 HydrophobicContact CD-CB 4.22Å; K1256-E1326 HydrophobicContact CD-CG 4.47Å; K1256-E1326 HydrophobicContact CG-CB 4.25Å; C1322-E1326 VanDerWaalsContact O-CA 3.23Å; C1322-E1326 WeakPolarHBondContact O-CA 3.49Å; C1322-E1326 PolarHBondContact O-N 3.5Å | ||
| 1327 | I | 92.6 | Very high | 92.9 | Very high | 35 Ų | 35 | 32.5 Ų | 32.5 | 18% | 0.179 | 18% | 0.178 | C | C | . | . | trans | -60.6 | 150.4 | 171.2 | -159.2 | 171.2 | 0 | 0 | 0 | 111.3 | R1251 S1321 C1322 C1325 C1346 | R1251-I1327 HydrophobicContact CG-CD1 4.14Å; S1321-I1327 CarbonylContact C-O 3.52Å; S1321-I1327 WeakPolarHBondContact CA-O 3.47Å; C1322-I1327 HydrophobicContact CB-CG2 4.16Å; C1322-I1327 PolarHBondContact N-O 3.21Å; C1325-I1327 PolarHBondContact O-N 2.91Å; I1327-C1346 HydrophobicContact CG2-CB 4.28Å | ||
| 1328 | E | 96 | Very high | 92.4 | Very high | 24 Ų | 24 | 33.1 Ų | 33.1 | 11% | 0.112 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 139.9 | 170.9 | -164.9 | -179.1 | 175.7 | 0 | 0 | 110.7 | Y1247 P1260 M1261 T1262 H1263 | Y1247-E1328 HydrophobicContact CE2-CB 4.26Å; Y1247-E1328 VanDerWaalsContact OH-CB 3.27Å; Y1247-E1328 WeakPolarHBondContact OH-CB 3.32Å; P1260-E1328 HydrophobicContact CB-CG 4.16Å; P1260-E1328 WeakPolarHBondContact CB-OE1 3.22Å; M1261-E1328 PolarHBondContact N-OE2 3.06Å; M1261-E1328 VanDerWaalsContact N-OE2 3.17Å; T1262-E1328 VanDerWaalsContact CB-CD 3.42Å; T1262-E1328 VanDerWaalsContact CB-OE1 3.28Å; T1262-E1328 WeakPolarHBondContact CB-OE1 3.24Å; T1262-E1328 VanDerWaalsContact CB-OE2 3.23Å; T1262-E1328 WeakPolarHBondContact CB-OE2 3.27Å; T1262-E1328 PolarHBondContact N-OE1 3.16Å; T1262-E1328 PolarHBondContact N-OE2 3.3Å; T1262-E1328 VanDerWaalsContact OG1-CD 3.3Å; T1262-E1328 PolarHBondContact OG1-OE2 3.15Å; H1263-E1328 WeakPolarHBondContact CB-OE1 3.34Å; H1263-E1328 PolarHBondContact N-OE1 3.25Å |
| 1329 | V | 95.8 | Very high | 91.2 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 6% | 0.055 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 107.6 | 173.8 | -174.2 | 0 | 0 | 0 | 0 | 107.1 | H1320 C1322 I1332 L1333 V1344 C1346 | H1320-V1329 PolarHBondContact O-N 3.49Å; C1322-V1329 HydrophobicContact CB-CG2 3.8Å; V1329-I1332 WeakPolarHBondContact CG1-O 3.48Å; V1329-L1333 HydrophobicContact CB-CD2 4.44Å; V1329-L1333 HydrophobicContact CG1-CD2 3.86Å; V1329-V1344 HydrophobicContact CB-CG1 4.18Å; V1329-V1344 HydrophobicContact CG1-CG1 4.12Å; V1329-V1344 HydrophobicContact CG2-CG1 4.42Å; V1329-C1346 HydrophobicContact CG2-CB 3.96Å |
| 1330 | F | 95.8 | Very high | 90.2 | Very high | 27 Ų | 27 | 39.4 Ų | 39.4 | 12% | 0.118 | 21% | 0.207 | C | C | . | . | trans | -107.7 | 138.6 | -175.3 | 176.5 | -95.4 | 0 | 0 | 0 | 111 | T1262 H1263 W1266 I1332 Y1366 L1371 | T1262-F1330 HydrophobicContact CG2-CB 3.96Å; T1262-F1330 HydrophobicContact CG2-CD1 4.1Å; T1262-F1330 HydrophobicContact CG2-CD2 4.17Å; T1262-F1330 HydrophobicContact CG2-CG 3.8Å; H1263-F1330 HydrophobicContact CB-CD2 4.46Å; W1266-F1330 HydrophobicContact CB-CE2 4.31Å; W1266-F1330 HydrophobicContact CB-CZ 4.33Å; W1266-F1330 AromaticContact CD1-CE1 3.73Å; W1266-F1330 AromaticContact CD1-CE2 3.43Å; W1266-F1330 VanDerWaalsContact CD1-CE2 3.43Å; W1266-F1330 AromaticContact CD1-CZ 3.14Å; W1266-F1330 AromaticContact CD2-CZ 3.99Å; W1266-F1330 HydrophobicContact CD2-CZ 3.99Å; W1266-F1330 AromaticContact CE2-CZ 3.88Å; W1266-F1330 HydrophobicContact CG-CE1 4.43Å; W1266-F1330 AromaticContact CG-CE2 3.93Å; W1266-F1330 HydrophobicContact CG-CE2 3.93Å; W1266-F1330 AromaticContact CG-CZ 3.57Å; W1266-F1330 HydrophobicContact CG-CZ 3.57Å; W1266-F1330 AromaticContact NE1-CE1 3.45Å; W1266-F1330 AromaticContact NE1-CZ 3.35Å; W1266-F1330 VanDerWaalsContact NE1-CZ 3.35Å; F1330-I1332 VanDerWaalsContact C-N 3.3Å; F1330-I1332 PolarHBondContact O-N 2.9Å; F1330-Y1366 HydrophobicContact CE2-CD2 4.04Å; F1330-Y1366 AromaticContact CE2-CE2 3.79Å; F1330-Y1366 HydrophobicContact CE2-CE2 3.79Å; F1330-Y1366 AromaticContact CZ-CD2 3.79Å; F1330-Y1366 HydrophobicContact CZ-CD2 3.79Å; F1330-Y1366 AromaticContact CZ-CE2 3.97Å; F1330-Y1366 HydrophobicContact CZ-CE2 3.97Å; F1330-L1371 HydrophobicContact CE1-CD1 4.24Å; F1330-L1371 HydrophobicContact CE1-CD2 4.35Å; F1330-L1371 HydrophobicContact CZ-CD2 4.06Å | ||
| 1331 | N | 96.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 61.4 | -70.6 | -178.9 | -169.8 | 10.4 | 0 | 0 | 0 | 115.6 | L1333 S1364 E1365 Y1366 L1371 | N1331-L1333 PolarHBondContact O-N 2.84Å; N1331-S1364 WeakPolarHBondContact O-CA 3.4Å; N1331-S1364 PolarHBondContact OD1-OG 3.15Å; N1331-S1364 VanDerWaalsContact OD1-OG 3.05Å; N1331-E1365 WeakPolarHBondContact CA-OE2 3.38Å; N1331-E1365 PolarHBondContact N-OE2 3.21Å; N1331-E1365 PolarHBondContact O-N 2.83Å; N1331-E1365 PolarHBondContact OD1-N 2.98Å; N1331-Y1366 PolarHBondContact ND2-O 3.44Å; N1331-Y1366 PolarHBondContact OD1-N 3.35Å; N1331-Y1366 PolarHBondContact OD1-O 3.18Å; N1331-L1371 WeakPolarHBondContact ND2-CD1 3.39Å |
| 1332 | I | 96.6 | Very high | 89.1 | Confident | 9 Ų | 9 | 47.1 Ų | 47.1 | 5% | 0.046 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 105.7 | -172.7 | -50.4 | -57.3 | 0 | 0 | 0 | 109.9 | T1297 L1301 V1329 F1330 F1334 I1362 L1363 | T1297-I1332 HydrophobicContact CG2-CB 4.1Å; T1297-I1332 HydrophobicContact CG2-CG1 4.24Å; T1297-I1332 HydrophobicContact CG2-CG2 3.8Å; L1301-I1332 HydrophobicContact CD1-CG2 4.05Å; V1329-I1332 WeakPolarHBondContact CG1-O 3.48Å; F1330-I1332 VanDerWaalsContact C-N 3.3Å; F1330-I1332 PolarHBondContact O-N 2.9Å; I1332-F1334 HydrophobicContact CG2-CE2 3.9Å; I1332-F1334 HydrophobicContact CG2-CZ 3.93Å; I1332-I1362 HydrophobicContact CG2-CG2 3.86Å; I1332-L1363 WeakPolarHBondContact CA-O 3.39Å |
| 1333 | L | 96.2 | Very high | 89 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 125.5 | -174.9 | -42.7 | -178.6 | 0 | 0 | 0 | 110.4 | H1320 V1329 N1331 V1335 V1344 I1362 L1363 E1365 | H1320-L1333 HydrophobicContact CB-CD2 4.44Å; H1320-L1333 VanDerWaalsContact CD2-CD1 3.47Å; H1320-L1333 WeakPolarHBondContact CD2-CD1 3.34Å; V1329-L1333 HydrophobicContact CB-CD2 4.44Å; V1329-L1333 HydrophobicContact CG1-CD2 3.86Å; N1331-L1333 PolarHBondContact O-N 2.84Å; L1333-V1335 HydrophobicContact CB-CG2 4.1Å; L1333-V1344 HydrophobicContact CB-CG1 4.11Å; L1333-V1344 HydrophobicContact CD2-CG1 4.28Å; L1333-I1362 WeakPolarHBondContact O-CA 3.3Å; L1333-L1363 HydrophobicContact CB-CB 4.24Å; L1333-L1363 PolarHBondContact N-O 3.41Å; L1333-L1363 PolarHBondContact O-N 3.18Å; L1333-E1365 HydrophobicContact CD1-CG 4.06Å; L1333-E1365 HydrophobicContact CD2-CG 4.34Å; L1333-E1365 HydrophobicContact CG-CG 4.23Å |
| 1334 | F | 96.7 | Very high | 89.1 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 106.4 | 172.1 | -62.7 | -90.3 | 0 | 0 | 0 | 108.8 | T1297 L1301 I1332 V1344 R1345 L1347 A1350 L1357 F1360 I1362 | T1297-F1334 HydrophobicContact CG2-CE2 4.33Å; T1297-F1334 HydrophobicContact CG2-CZ 4.05Å; L1301-F1334 HydrophobicContact CD1-CE1 4.31Å; L1301-F1334 HydrophobicContact CD1-CZ 4.1Å; L1301-F1334 HydrophobicContact CD2-CE1 4.15Å; L1301-F1334 HydrophobicContact CD2-CZ 4.44Å; I1332-F1334 HydrophobicContact CG2-CE2 3.9Å; I1332-F1334 HydrophobicContact CG2-CZ 3.93Å; F1334-V1344 CarbonylContact O-C 3.58Å; F1334-R1345 HydrophobicContact CB-CB 4.47Å; F1334-R1345 WeakPolarHBondContact CB-O 3.25Å; F1334-R1345 PolarHBondContact N-O 2.64Å; F1334-R1345 PolarHBondContact O-N 2.89Å; F1334-L1347 HydrophobicContact CD2-CB 4.47Å; F1334-L1347 HydrophobicContact CE1-CD1 4.06Å; F1334-L1347 HydrophobicContact CE2-CB 3.82Å; F1334-L1347 HydrophobicContact CE2-CD1 4.01Å; F1334-L1347 HydrophobicContact CZ-CB 4.25Å; F1334-L1347 HydrophobicContact CZ-CD1 3.52Å; F1334-L1347 HydrophobicContact CZ-CG 4.48Å; F1334-A1350 HydrophobicContact CB-CB 3.67Å; F1334-A1350 HydrophobicContact CD1-CB 3.96Å; F1334-A1350 HydrophobicContact CD2-CB 4.49Å; F1334-A1350 HydrophobicContact CG-CB 3.76Å; F1334-L1357 HydrophobicContact CD1-CD2 4.14Å; F1334-L1357 HydrophobicContact CE1-CD1 4Å; F1334-L1357 HydrophobicContact CE1-CD2 4.34Å; F1334-F1360 HydrophobicContact CB-CD1 3.91Å; F1334-F1360 HydrophobicContact CB-CE1 4.42Å; F1334-F1360 HydrophobicContact CB-CG 4.35Å; F1334-I1362 HydrophobicContact CD1-CD1 4.31Å; F1334-I1362 HydrophobicContact CD1-CG1 3.87Å; F1334-I1362 HydrophobicContact CE1-CD1 3.91Å; F1334-I1362 HydrophobicContact CE1-CG1 3.89Å; F1334-I1362 HydrophobicContact CE1-CG2 4.28Å |
| 1335 | V | 95.4 | Very high | 89.4 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.7 | -171.5 | -170.9 | 0 | 0 | 0 | 0 | 110.9 | L1333 L1342 V1344 I1361 L1363 | L1333-V1335 HydrophobicContact CB-CG2 4.1Å; V1335-L1342 HydrophobicContact CG1-CB 3.74Å; V1335-L1342 HydrophobicContact CG1-CD2 3.93Å; V1335-L1342 HydrophobicContact CG1-CG 4.29Å; V1335-V1344 HydrophobicContact CG2-CG2 4.37Å; V1335-I1361 HydrophobicContact CB-CB 4.46Å; V1335-I1361 WeakPolarHBondContact CB-O 3.41Å; V1335-I1361 PolarHBondContact N-O 2.81Å; V1335-I1361 PolarHBondContact O-N 2.64Å; V1335-L1363 HydrophobicContact CG2-CD1 3.86Å; V1335-L1363 HydrophobicContact CG2-CG 4.09Å |
| 1336 | L | 91 | Very high | 89.6 | Confident | 33 Ų | 33 | 41.9 Ų | 41.9 | 17% | 0.173 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 142.2 | 169.3 | -163.1 | 75 | 0 | 0 | 0 | 109.3 | V1343 M1353 T1359 F1360 | L1336-V1343 PolarHBondContact N-O 2.9Å; L1336-V1343 PolarHBondContact O-N 3.33Å; L1336-M1353 HydrophobicContact CD2-CE 3.87Å; L1336-T1359 WeakPolarHBondContact CD1-O 3.35Å; L1336-F1360 HydrophobicContact CB-CD1 4.15Å; L1336-F1360 HydrophobicContact CB-CE1 3.89Å; L1336-F1360 HydrophobicContact CD1-CD1 4.42Å; L1336-F1360 HydrophobicContact CD1-CE1 4.33Å |
| 1337 | S | 82.8 | Confident | 89.6 | Confident | 87 Ų | 87 | 40.4 Ų | 40.4 | 61% | 0.608 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 117.3 | 162.2 | -170.7 | 0 | 0 | 0 | 0 | 108.5 | K1341 | S1337-K1341 WeakPolarHBondContact CA-O 3.48Å |
| 1338 | Q | 73.6 | Confident | 89.5 | Confident | 58 Ų | 58 | 40.1 Ų | 40.1 | 27% | 0.271 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 123.7 | 179.1 | -176.8 | 172.1 | -2.7 | 0 | 0 | 107.9 | K1340 K1341 V1343 R1345 | Q1338-K1340 VanDerWaalsContact C-N 3.3Å; Q1338-K1340 PolarHBondContact O-N 2.69Å; Q1338-K1341 PolarHBondContact N-O 2.89Å; Q1338-K1341 WeakPolarHBondContact O-CA 3.41Å; Q1338-K1341 WeakPolarHBondContact O-CB 3.47Å; Q1338-K1341 PolarHBondContact O-N 3.06Å; Q1338-V1343 HydrophobicContact CB-CG2 3.91Å; Q1338-R1345 VanDerWaalsContact OE1-NH2 3.09Å |
| 1339 | D | 67.9 | Low | 89.2 | Confident | 122 Ų | 122 | 39.3 Ų | 39.3 | 65% | 0.652 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 40.8 | -177.3 | -45.9 | -36.5 | 0 | 0 | 0 | 113.9 | F662 K1341 | F662-D1339 HydrophobicContact CE1-CB 4.31Å; F662-D1339 WeakPolarHBondContact CE1-O 3.17Å; F662-D1339 WeakPolarHBondContact CZ-O 3.41Å; D1339-K1341 PolarHBondContact O-N 3.43Å; D1339-K1341 VanDerWaalsContact O-N 3.1Å |
| 1340 | K | 73.3 | Confident | 89.1 | Confident | 116 Ų | 116 | 38.9 Ų | 38.9 | 50% | 0.504 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 15.1 | -173.4 | -49.5 | -179.4 | -172.9 | 179.3 | 0 | 114.1 | P663 T664 Q1338 | P663-K1340 PolarHBondContact O-NZ 3.02Å; T664-K1340 PolarHBondContact O-NZ 3.29Å; Q1338-K1340 VanDerWaalsContact C-N 3.3Å; Q1338-K1340 PolarHBondContact O-N 2.69Å |
| 1341 | K | 80.1 | Confident | 88.8 | Confident | 119 Ų | 119 | 38.8 Ų | 38.8 | 52% | 0.517 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 144.5 | 165.5 | -92.1 | 170 | -177.3 | 110.6 | 0 | 111.2 | F662 S1337 Q1338 D1339 V1343 | F662-K1341 HydrophobicContact CE2-CD 3.95Å; F662-K1341 HydrophobicContact CE2-CG 3.6Å; F662-K1341 HydrophobicContact CZ-CB 4.44Å; F662-K1341 HydrophobicContact CZ-CD 3.76Å; F662-K1341 HydrophobicContact CZ-CG 3.63Å; S1337-K1341 WeakPolarHBondContact CA-O 3.48Å; Q1338-K1341 PolarHBondContact N-O 2.89Å; Q1338-K1341 WeakPolarHBondContact O-CA 3.41Å; Q1338-K1341 WeakPolarHBondContact O-CB 3.47Å; Q1338-K1341 PolarHBondContact O-N 3.06Å; D1339-K1341 PolarHBondContact O-N 3.43Å; D1339-K1341 VanDerWaalsContact O-N 3.1Å; K1341-V1343 HydrophobicContact CB-CG2 4.1Å |
| 1342 | L | 85.9 | Confident | 88.3 | Confident | 130 Ų | 130 | 40.4 Ų | 40.4 | 68% | 0.681 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 120.5 | 159.9 | -61.4 | -179 | 0 | 0 | 0 | 109 | V1335 | V1335-L1342 HydrophobicContact CG1-CB 3.74Å; V1335-L1342 HydrophobicContact CG1-CD2 3.93Å; V1335-L1342 HydrophobicContact CG1-CG 4.29Å |
| 1343 | V | 91.3 | Very high | 87.9 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 9% | 0.085 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 113.6 | -175.7 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | H1323 L1336 Q1338 K1341 | H1323-V1343 HydrophobicContact CB-CG1 3.37Å; H1323-V1343 VanDerWaalsContact CG-CG1 3.5Å; L1336-V1343 PolarHBondContact N-O 2.9Å; L1336-V1343 PolarHBondContact O-N 3.33Å; Q1338-V1343 HydrophobicContact CB-CG2 3.91Å; K1341-V1343 HydrophobicContact CB-CG2 4.1Å |
| 1344 | V | 94.7 | Very high | 87.6 | Confident | 20 Ų | 20 | 43.1 Ų | 43.1 | 12% | 0.121 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 135.5 | -179.5 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | H1320 H1323 V1329 L1333 F1334 V1335 | H1320-V1344 HydrophobicContact CB-CB 4.34Å; H1320-V1344 HydrophobicContact CB-CG1 3.96Å; H1320-V1344 HydrophobicContact CB-CG2 4.32Å; H1323-V1344 PolarHBondContact N-O 3.02Å; V1329-V1344 HydrophobicContact CB-CG1 4.18Å; V1329-V1344 HydrophobicContact CG1-CG1 4.12Å; V1329-V1344 HydrophobicContact CG2-CG1 4.42Å; L1333-V1344 HydrophobicContact CB-CG1 4.11Å; L1333-V1344 HydrophobicContact CD2-CG1 4.28Å; F1334-V1344 CarbonylContact O-C 3.58Å; V1335-V1344 HydrophobicContact CG2-CG2 4.37Å |
| 1345 | R | 94.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 155.7 | 176 | -62.9 | -175.7 | 158.3 | 101.7 | -3.4 | 110.8 | N210 D1324 F1334 Q1338 C1349 M1353 F1360 | N210-R1345 PolarHBondContact ND2-NH2 2.84Å; D1324-R1345 VanDerWaalsContact CG-NE 3.34Å; D1324-R1345 IonicContact OD1-CZ 3.09Å; D1324-R1345 IonicContact OD1-NE 3.37Å; D1324-R1345 PolarHBondContact OD1-NE 3.01Å; D1324-R1345 VanDerWaalsContact OD1-NE 3.15Å; D1324-R1345 IonicContact OD1-NH2 3.91Å; D1324-R1345 PolarHBondContact OD1-NH2 3.44Å; D1324-R1345 WeakPolarHBondContact OD2-CD 3.46Å; D1324-R1345 WeakPolarHBondContact OD2-CG 3.35Å; D1324-R1345 IonicContact OD2-CZ 3.49Å; D1324-R1345 IonicContact OD2-NE 2.7Å; D1324-R1345 PolarHBondContact OD2-NE 3.38Å; D1324-R1345 IonicContact OD2-NH2 2.72Å; F1334-R1345 HydrophobicContact CB-CB 4.47Å; F1334-R1345 WeakPolarHBondContact CB-O 3.25Å; F1334-R1345 PolarHBondContact N-O 2.64Å; F1334-R1345 PolarHBondContact O-N 2.89Å; Q1338-R1345 VanDerWaalsContact OE1-NH2 3.09Å; R1345-C1349 HydrophobicContact CB-CB 4.42Å; R1345-M1353 WeakPolarHBondContact CD-SD 3.46Å; R1345-M1353 VanDerWaalsContact CZ-SD 3.5Å; R1345-M1353 PolarHBondContact NE-SD 2.93Å; R1345-F1360 HydrophobicContact CB-CE1 4.5Å |
| 1346 | C | 93.7 | Very high | 86.8 | Confident | 13 Ų | 13 | 48.1 Ų | 48.1 | 9% | 0.088 | 25% | 0.254 | C | S | . | . | trans | -78.1 | 165.2 | 167.8 | 65.5 | 0 | 0 | 0 | 0 | 110.4 | C1322 I1327 V1329 D1348 C1349 A1350 | C1322-C1346 HydrophobicContact CB-CB 4.17Å; I1327-C1346 HydrophobicContact CG2-CB 4.28Å; V1329-C1346 HydrophobicContact CG2-CB 3.96Å; C1346-D1348 VanDerWaalsContact C-N 3.29Å; C1346-D1348 PolarHBondContact O-N 3.21Å; C1346-C1349 PolarHBondContact O-N 2.69Å; C1346-A1350 WeakPolarHBondContact O-CB 3.48Å; C1346-A1350 PolarHBondContact O-N 2.86Å | ||
| 1347 | L | 92.4 | Very high | 86.8 | Confident | 19 Ų | 19 | 46.6 Ų | 46.6 | 10% | 0.099 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -51.5 | -44.8 | 178 | 178.6 | 64.6 | 0 | 0 | 0 | 112.7 | W845 T1297 F1300 F1334 A1350 R1351 L1357 | W845-L1347 HydrophobicContact CH2-CD2 4.34Å; W845-L1347 HydrophobicContact CZ3-CD2 3.75Å; T1297-L1347 HydrophobicContact CG2-CD2 4.36Å; F1300-L1347 HydrophobicContact CD1-CD1 4.22Å; F1300-L1347 HydrophobicContact CE1-CD1 4.11Å; F1334-L1347 HydrophobicContact CD2-CB 4.47Å; F1334-L1347 HydrophobicContact CE1-CD1 4.06Å; F1334-L1347 HydrophobicContact CE2-CB 3.82Å; F1334-L1347 HydrophobicContact CE2-CD1 4.01Å; F1334-L1347 HydrophobicContact CZ-CB 4.25Å; F1334-L1347 HydrophobicContact CZ-CD1 3.52Å; F1334-L1347 HydrophobicContact CZ-CG 4.48Å; L1347-A1350 PolarHBondContact O-N 3.11Å; L1347-R1351 HydrophobicContact CD1-CG 4.07Å; L1347-R1351 HydrophobicContact CG-CG 4.48Å; L1347-R1351 WeakPolarHBondContact O-CB 3.43Å; L1347-R1351 WeakPolarHBondContact O-CG 3.48Å; L1347-R1351 PolarHBondContact O-N 2.65Å; L1347-L1357 HydrophobicContact CD1-CD1 4.05Å |
| 1348 | D | 89 | Confident | 87.1 | Confident | 29 Ų | 29 | 50.2 Ų | 50.2 | 16% | 0.155 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67 | -43.9 | -175.6 | -50.7 | -53.8 | 0 | 0 | 0 | 112.2 | P176 C1346 R1352 | P176-D1348 HydrophobicContact CB-CB 4.43Å; C1346-D1348 VanDerWaalsContact C-N 3.29Å; C1346-D1348 PolarHBondContact O-N 3.21Å; D1348-R1352 PolarHBondContact O-N 2.92Å; D1348-R1352 VanDerWaalsContact O-N 3.09Å |
| 1349 | C | 91 | Very high | 88 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 5% | 0.054 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70 | -34.7 | 176 | -74.7 | 0 | 0 | 0 | 0 | 112.1 | R1345 C1346 R1352 M1353 | R1345-C1349 HydrophobicContact CB-CB 4.42Å; C1346-C1349 PolarHBondContact O-N 2.69Å; C1349-R1352 PolarHBondContact SG-NH2 3.23Å; C1349-R1352 VanDerWaalsContact SG-NH2 3.43Å; C1349-M1353 WeakPolarHBondContact O-CG 3.45Å; C1349-M1353 PolarHBondContact O-N 2.71Å |
| 1350 | A | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.1 | -46.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1334 C1346 L1347 R1352 M1353 D1354 L1357 F1360 | F1334-A1350 HydrophobicContact CB-CB 3.67Å; F1334-A1350 HydrophobicContact CD1-CB 3.96Å; F1334-A1350 HydrophobicContact CD2-CB 4.49Å; F1334-A1350 HydrophobicContact CG-CB 3.76Å; C1346-A1350 WeakPolarHBondContact O-CB 3.48Å; C1346-A1350 PolarHBondContact O-N 2.86Å; L1347-A1350 PolarHBondContact O-N 3.11Å; A1350-R1352 VanDerWaalsContact C-N 3.3Å; A1350-R1352 PolarHBondContact O-N 3.33Å; A1350-M1353 PolarHBondContact O-N 2.92Å; A1350-M1353 VanDerWaalsContact O-N 3.09Å; A1350-D1354 PolarHBondContact O-N 3.07Å; A1350-L1357 HydrophobicContact CB-CD2 3.48Å; A1350-L1357 VanDerWaalsContact CB-CD2 3.48Å; A1350-F1360 HydrophobicContact CB-CD1 4.36Å; A1350-F1360 HydrophobicContact CB-CD2 4.15Å; A1350-F1360 HydrophobicContact CB-CE1 4.05Å; A1350-F1360 HydrophobicContact CB-CE2 3.83Å; A1350-F1360 HydrophobicContact CB-CG 4.41Å; A1350-F1360 HydrophobicContact CB-CZ 3.78Å; A1350-F1360 WeakPolarHBondContact O-CE2 3.32Å |
| 1351 | R | 89.3 | Confident | 90.2 | Very high | 24 Ų | 24 | 44.8 Ų | 44.8 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64 | -30.3 | 177.3 | -74.7 | 173.7 | 70.9 | -179.9 | 8.4 | 113.5 | Y807 G842 L1347 D1354 S1355 L1357 | Y807-R1351 VanDerWaalsContact CE1-NH2 3.29Å; G842-R1351 PolarHBondContact O-NH1 3.39Å; G842-R1351 PolarHBondContact O-NH2 3.23Å; L1347-R1351 HydrophobicContact CD1-CG 4.07Å; L1347-R1351 HydrophobicContact CG-CG 4.48Å; L1347-R1351 WeakPolarHBondContact O-CB 3.43Å; L1347-R1351 WeakPolarHBondContact O-CG 3.48Å; L1347-R1351 PolarHBondContact O-N 2.65Å; R1351-D1354 CarbonylContact O-C 3.52Å; R1351-S1355 WeakPolarHBondContact O-CA 3.38Å; R1351-S1355 PolarHBondContact O-N 3.41Å; R1351-L1357 HydrophobicContact CG-CD1 4.01Å; R1351-L1357 HydrophobicContact CG-CD2 4.01Å; R1351-L1357 HydrophobicContact CG-CG 4.17Å |
| 1352 | R | 87 | Confident | 91 | Very high | 34 Ų | 34 | 39.4 Ų | 39.4 | 13% | 0.128 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.1 | -39.7 | 170.6 | -91.5 | -175.5 | -79.2 | -81.3 | 4.5 | 112.8 | P176 D211 S212 D1348 C1349 A1350 | P176-R1352 PolarHBondContact O-NH1 3.36Å; P176-R1352 PolarHBondContact O-NH2 3.27Å; D211-R1352 HydrophobicContact CB-CB 4.38Å; D211-R1352 HydrophobicContact CB-CG 4.44Å; D211-R1352 WeakPolarHBondContact OD2-CD 3.42Å; D211-R1352 WeakPolarHBondContact OD2-CG 3.28Å; S212-R1352 WeakPolarHBondContact CB-O 3.42Å; S212-R1352 PolarHBondContact N-O 3.44Å; S212-R1352 PolarHBondContact OG-O 3.42Å; D1348-R1352 PolarHBondContact O-N 2.92Å; D1348-R1352 VanDerWaalsContact O-N 3.09Å; C1349-R1352 PolarHBondContact SG-NH2 3.23Å; C1349-R1352 VanDerWaalsContact SG-NH2 3.43Å; A1350-R1352 VanDerWaalsContact C-N 3.3Å; A1350-R1352 PolarHBondContact O-N 3.33Å |
| 1353 | M | 88.2 | Confident | 91.5 | Very high | 47 Ų | 47 | 34.3 Ų | 34.3 | 23% | 0.232 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -76.2 | -46.8 | -179.7 | -70.4 | -177.9 | 70 | 0 | 0 | 112.4 | N210 L1336 R1345 C1349 A1350 F1360 | N210-M1353 HydrophobicContact CB-CE 4.43Å; N210-M1353 HydrophobicContact CB-CG 3.93Å; N210-M1353 HydrophobicContact CB-SD 4.17Å; N210-M1353 WeakPolarHBondContact O-CA 3.35Å; N210-M1353 WeakPolarHBondContact O-CG 3.26Å; L1336-M1353 HydrophobicContact CD2-CE 3.87Å; R1345-M1353 WeakPolarHBondContact CD-SD 3.46Å; R1345-M1353 VanDerWaalsContact CZ-SD 3.5Å; R1345-M1353 PolarHBondContact NE-SD 2.93Å; C1349-M1353 WeakPolarHBondContact O-CG 3.45Å; C1349-M1353 PolarHBondContact O-N 2.71Å; A1350-M1353 PolarHBondContact O-N 2.92Å; A1350-M1353 VanDerWaalsContact O-N 3.09Å; M1353-F1360 HydrophobicContact CB-CE2 4.19Å; M1353-F1360 HydrophobicContact CB-CZ 4.08Å; M1353-F1360 HydrophobicContact SD-CZ 4.04Å |
| 1354 | D | 88.6 | Confident | 91.7 | Very high | 22 Ų | 22 | 34 Ų | 34 | 12% | 0.118 | 18% | 0.179 | C | C | . | . | trans | -141.4 | 106.1 | 177.8 | 172 | 8.9 | 0 | 0 | 0 | 108.3 | A1350 R1351 T1356 L1357 K1358 T1359 F1360 | A1350-D1354 PolarHBondContact O-N 3.07Å; R1351-D1354 CarbonylContact O-C 3.52Å; D1354-T1356 PolarHBondContact O-N 3.29Å; D1354-T1356 WeakPolarHBondContact OD1-CA 3.24Å; D1354-T1356 WeakPolarHBondContact OD1-CB 3.37Å; D1354-T1356 PolarHBondContact OD1-N 2.96Å; D1354-T1356 PolarHBondContact OD1-OG1 3.48Å; D1354-T1356 PolarHBondContact OD2-OG1 3.02Å; D1354-L1357 VanDerWaalsContact CG-N 3.3Å; D1354-L1357 PolarHBondContact O-N 3.42Å; D1354-L1357 PolarHBondContact OD1-N 2.88Å; D1354-L1357 VanDerWaalsContact OD2-C 3.3Å; D1354-L1357 WeakPolarHBondContact OD2-CA 3.45Å; D1354-L1357 PolarHBondContact OD2-N 3.5Å; D1354-K1358 PolarHBondContact OD2-N 3.47Å; D1354-T1359 HydrophobicContact CB-CG2 4.44Å; D1354-T1359 WeakPolarHBondContact CB-OG1 3.42Å; D1354-T1359 WeakPolarHBondContact OD2-CB 3.43Å; D1354-T1359 WeakPolarHBondContact OD2-CG2 3.41Å; D1354-T1359 PolarHBondContact OD2-N 3.35Å; D1354-T1359 PolarHBondContact OD2-OG1 2.75Å; D1354-F1360 HydrophobicContact CB-CD2 4.44Å; D1354-F1360 HydrophobicContact CB-CE2 4.12Å | ||
| 1355 | S | 85.5 | Confident | 91.7 | Very high | 54 Ų | 54 | 33.3 Ų | 33.3 | 38% | 0.378 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -21.2 | 178.7 | 54.1 | 0 | 0 | 0 | 0 | 113.6 | R1351 | R1351-S1355 WeakPolarHBondContact O-CA 3.38Å; R1351-S1355 PolarHBondContact O-N 3.41Å |
| 1356 | T | 89.1 | Confident | 91.7 | Very high | 61 Ų | 61 | 33.7 Ų | 33.7 | 37% | 0.374 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -12.2 | 175.9 | 78.2 | 0 | 0 | 0 | 0 | 113.1 | D1354 K1358 | D1354-T1356 PolarHBondContact O-N 3.29Å; D1354-T1356 WeakPolarHBondContact OD1-CA 3.24Å; D1354-T1356 WeakPolarHBondContact OD1-CB 3.37Å; D1354-T1356 PolarHBondContact OD1-N 2.96Å; D1354-T1356 PolarHBondContact OD1-OG1 3.48Å; D1354-T1356 PolarHBondContact OD2-OG1 3.02Å; T1356-K1358 PolarHBondContact O-N 3.42Å; T1356-K1358 WeakPolarHBondContact OG1-CD 3.19Å; T1356-K1358 WeakPolarHBondContact OG1-CG 3.17Å; T1356-K1358 PolarHBondContact OG1-N 3.03Å |
| 1357 | L | 91.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | trans | 55.6 | 10.2 | -175.8 | -62 | 168.6 | 0 | 0 | 0 | 115.7 | F1300 L1301 L1306 F1334 L1347 A1350 R1351 D1354 T1359 F1360 | F1300-L1357 HydrophobicContact CE1-CD1 3.91Å; L1301-L1357 HydrophobicContact CD2-CD1 3.98Å; L1306-L1357 HydrophobicContact CD1-CB 3.75Å; L1306-L1357 HydrophobicContact CD1-CD1 4.32Å; F1334-L1357 HydrophobicContact CD1-CD2 4.14Å; F1334-L1357 HydrophobicContact CE1-CD1 4Å; F1334-L1357 HydrophobicContact CE1-CD2 4.34Å; L1347-L1357 HydrophobicContact CD1-CD1 4.05Å; A1350-L1357 HydrophobicContact CB-CD2 3.48Å; A1350-L1357 VanDerWaalsContact CB-CD2 3.48Å; R1351-L1357 HydrophobicContact CG-CD1 4.01Å; R1351-L1357 HydrophobicContact CG-CD2 4.01Å; R1351-L1357 HydrophobicContact CG-CG 4.17Å; D1354-L1357 VanDerWaalsContact CG-N 3.3Å; D1354-L1357 PolarHBondContact O-N 3.42Å; D1354-L1357 PolarHBondContact OD1-N 2.88Å; D1354-L1357 VanDerWaalsContact OD2-C 3.3Å; D1354-L1357 WeakPolarHBondContact OD2-CA 3.45Å; D1354-L1357 PolarHBondContact OD2-N 3.5Å; L1357-T1359 VanDerWaalsContact C-N 3.3Å; L1357-T1359 PolarHBondContact O-N 3.37Å; L1357-F1360 HydrophobicContact CD2-CD2 4.09Å; L1357-F1360 HydrophobicContact CD2-CE2 4.46Å; L1357-F1360 PolarHBondContact O-N 3.2Å; L1357-F1360 VanDerWaalsContact O-N 3.15Å | ||
| 1358 | K | 90 | Very high | 91.9 | Very high | 163 Ų | 163 | 37.3 Ų | 37.3 | 71% | 0.709 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -23.7 | -176.7 | -68.7 | 173.3 | -174.8 | 171 | 0 | 113.8 | L1306 D1354 T1356 F1360 | L1306-K1358 HydrophobicContact CD2-CG 4.24Å; D1354-K1358 PolarHBondContact OD2-N 3.47Å; T1356-K1358 PolarHBondContact O-N 3.42Å; T1356-K1358 WeakPolarHBondContact OG1-CD 3.19Å; T1356-K1358 WeakPolarHBondContact OG1-CG 3.17Å; T1356-K1358 PolarHBondContact OG1-N 3.03Å; K1358-F1360 PolarHBondContact O-N 3.36Å |
| 1359 | T | 90.7 | Very high | 92.2 | Very high | 86 Ų | 86 | 42 Ų | 42 | 53% | 0.528 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -16.5 | 173.3 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | L1336 D1354 L1357 | L1336-T1359 WeakPolarHBondContact CD1-O 3.35Å; D1354-T1359 HydrophobicContact CB-CG2 4.44Å; D1354-T1359 WeakPolarHBondContact CB-OG1 3.42Å; D1354-T1359 WeakPolarHBondContact OD2-CB 3.43Å; D1354-T1359 WeakPolarHBondContact OD2-CG2 3.41Å; D1354-T1359 PolarHBondContact OD2-N 3.35Å; D1354-T1359 PolarHBondContact OD2-OG1 2.75Å; L1357-T1359 VanDerWaalsContact C-N 3.3Å; L1357-T1359 PolarHBondContact O-N 3.37Å |
| 1360 | F | 94.2 | Very high | 92.4 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -95.9 | 136.3 | -175.9 | -70.9 | -87.5 | 0 | 0 | 0 | 112.6 | F1334 L1336 R1345 A1350 M1353 D1354 L1357 K1358 | F1334-F1360 HydrophobicContact CB-CD1 3.91Å; F1334-F1360 HydrophobicContact CB-CE1 4.42Å; F1334-F1360 HydrophobicContact CB-CG 4.35Å; L1336-F1360 HydrophobicContact CB-CD1 4.15Å; L1336-F1360 HydrophobicContact CB-CE1 3.89Å; L1336-F1360 HydrophobicContact CD1-CD1 4.42Å; L1336-F1360 HydrophobicContact CD1-CE1 4.33Å; R1345-F1360 HydrophobicContact CB-CE1 4.5Å; A1350-F1360 HydrophobicContact CB-CD1 4.36Å; A1350-F1360 HydrophobicContact CB-CD2 4.15Å; A1350-F1360 HydrophobicContact CB-CE1 4.05Å; A1350-F1360 HydrophobicContact CB-CE2 3.83Å; A1350-F1360 HydrophobicContact CB-CG 4.41Å; A1350-F1360 HydrophobicContact CB-CZ 3.78Å; A1350-F1360 WeakPolarHBondContact O-CE2 3.32Å; M1353-F1360 HydrophobicContact CB-CE2 4.19Å; M1353-F1360 HydrophobicContact CB-CZ 4.08Å; M1353-F1360 HydrophobicContact SD-CZ 4.04Å; D1354-F1360 HydrophobicContact CB-CD2 4.44Å; D1354-F1360 HydrophobicContact CB-CE2 4.12Å; L1357-F1360 HydrophobicContact CD2-CD2 4.09Å; L1357-F1360 HydrophobicContact CD2-CE2 4.46Å; L1357-F1360 PolarHBondContact O-N 3.2Å; L1357-F1360 VanDerWaalsContact O-N 3.15Å; K1358-F1360 PolarHBondContact O-N 3.36Å |
| 1361 | I | 94.8 | Very high | 92.6 | Very high | 81 Ų | 81 | 44.4 Ų | 44.4 | 42% | 0.415 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 115.9 | 161.3 | -58.7 | 175.7 | 0 | 0 | 0 | 106.8 | V1335 L1363 | V1335-I1361 HydrophobicContact CB-CB 4.46Å; V1335-I1361 WeakPolarHBondContact CB-O 3.41Å; V1335-I1361 PolarHBondContact N-O 2.81Å; V1335-I1361 PolarHBondContact O-N 2.64Å; I1361-L1363 HydrophobicContact CG2-CD2 3.8Å; I1361-L1363 HydrophobicContact CG2-CG 4.33Å |
| 1362 | I | 96.7 | Very high | 93 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 121.7 | -179.9 | -54.9 | 166.5 | 0 | 0 | 0 | 109.4 | L1301 L1306 I1308 K1309 I1332 L1333 F1334 | L1301-I1362 HydrophobicContact CD1-CD1 4.1Å; L1301-I1362 HydrophobicContact CD1-CG2 3.85Å; L1301-I1362 HydrophobicContact CD2-CD1 3.7Å; L1301-I1362 HydrophobicContact CG-CD1 4.47Å; L1306-I1362 HydrophobicContact CB-CD1 4.04Å; L1306-I1362 HydrophobicContact CD1-CD1 4.2Å; I1308-I1362 HydrophobicContact CG1-CG2 4.18Å; I1308-I1362 HydrophobicContact CG2-CG2 4.49Å; K1309-I1362 PolarHBondContact N-O 3.49Å; I1332-I1362 HydrophobicContact CG2-CG2 3.86Å; L1333-I1362 WeakPolarHBondContact O-CA 3.3Å; F1334-I1362 HydrophobicContact CD1-CD1 4.31Å; F1334-I1362 HydrophobicContact CD1-CG1 3.87Å; F1334-I1362 HydrophobicContact CE1-CD1 3.91Å; F1334-I1362 HydrophobicContact CE1-CG1 3.89Å; F1334-I1362 HydrophobicContact CE1-CG2 4.28Å |
| 1363 | L | 95.5 | Very high | 93.5 | Very high | 24 Ų | 24 | 46.8 Ų | 46.8 | 13% | 0.126 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 150.4 | 179.7 | -56.5 | -176.8 | 0 | 0 | 0 | 111.3 | K1309 H1311 I1332 L1333 V1335 I1361 | K1309-L1363 HydrophobicContact CB-CD2 4.02Å; K1309-L1363 CarbonylContact O-C 3.6Å; K1309-L1363 VanDerWaalsContact O-CA 3.28Å; K1309-L1363 WeakPolarHBondContact O-CA 3.33Å; H1311-L1363 HydrophobicContact CB-CB 4.14Å; H1311-L1363 HydrophobicContact CB-CD1 4.27Å; H1311-L1363 HydrophobicContact CB-CD2 4.49Å; I1332-L1363 WeakPolarHBondContact CA-O 3.39Å; L1333-L1363 HydrophobicContact CB-CB 4.24Å; L1333-L1363 PolarHBondContact N-O 3.41Å; L1333-L1363 PolarHBondContact O-N 3.18Å; V1335-L1363 HydrophobicContact CG2-CD1 3.86Å; V1335-L1363 HydrophobicContact CG2-CG 4.09Å; I1361-L1363 HydrophobicContact CG2-CD2 3.8Å; I1361-L1363 HydrophobicContact CG2-CG 4.33Å |
| 1364 | S | 96.1 | Very high | 93.9 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 5% | 0.049 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 121.6 | 168.1 | 163.3 | 0 | 0 | 0 | 0 | 110.4 | K1309 H1310 H1311 G1312 N1331 Y1366 | K1309-S1364 PolarHBondContact O-N 3.37Å; H1310-S1364 PolarHBondContact ND1-O 3.03Å; H1310-S1364 VanDerWaalsContact ND1-O 3.12Å; H1311-S1364 PolarHBondContact N-O 3.13Å; G1312-S1364 PolarHBondContact N-O 2.96Å; N1331-S1364 WeakPolarHBondContact O-CA 3.4Å; N1331-S1364 PolarHBondContact OD1-OG 3.15Å; N1331-S1364 VanDerWaalsContact OD1-OG 3.05Å; S1364-Y1366 PolarHBondContact OG-N 2.9Å; S1364-Y1366 PolarHBondContact OG-O 2.69Å |
| 1365 | E | 95 | Very high | 94.3 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 2% | 0.023 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -68.3 | -41.9 | 171.6 | -59.7 | 179.5 | 123.1 | 0 | 0 | 111.3 | H1310 G1312 K1313 H1320 N1331 L1333 | H1310-E1365 PolarHBondContact CE1-O 2.91Å; G1312-E1365 CarbonylContact C-O 3.58Å; G1312-E1365 VanDerWaalsContact C-O 3.27Å; G1312-E1365 VanDerWaalsContact CA-O 3.3Å; G1312-E1365 WeakPolarHBondContact CA-O 3.4Å; K1313-E1365 HydrophobicContact CB-CB 4.24Å; K1313-E1365 HydrophobicContact CD-CB 4.48Å; K1313-E1365 HydrophobicContact CD-CG 4.49Å; K1313-E1365 WeakPolarHBondContact CD-OE1 3.35Å; K1313-E1365 WeakPolarHBondContact CE-OE1 3.4Å; K1313-E1365 PolarHBondContact N-O 3.39Å; K1313-E1365 IonicContact NZ-OE1 2.66Å; K1313-E1365 PolarHBondContact NZ-OE1 3.02Å; H1320-E1365 IonicContact CD2-OE1 2.82Å; N1331-E1365 WeakPolarHBondContact CA-OE2 3.38Å; N1331-E1365 PolarHBondContact N-OE2 3.21Å; N1331-E1365 PolarHBondContact O-N 2.83Å; N1331-E1365 PolarHBondContact OD1-N 2.98Å; L1333-E1365 HydrophobicContact CD1-CG 4.06Å; L1333-E1365 HydrophobicContact CD2-CG 4.34Å; L1333-E1365 HydrophobicContact CG-CG 4.23Å |
| 1366 | Y | 95.1 | Very high | 94.9 | Very high | 9 Ų | 9 | 43.9 Ų | 43.9 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -133.9 | 132.9 | -171.6 | -61.8 | -61.5 | 0 | 0 | 0 | 112.2 | K1270 K1313 F1330 N1331 S1364 E1370 L1371 | K1270-Y1366 VanDerWaalsContact NZ-CE1 3.3Å; K1313-Y1366 HydrophobicContact CB-CE1 4Å; K1313-Y1366 HydrophobicContact CD-CE2 4.26Å; F1330-Y1366 HydrophobicContact CE2-CD2 4.04Å; F1330-Y1366 AromaticContact CE2-CE2 3.79Å; F1330-Y1366 HydrophobicContact CE2-CE2 3.79Å; F1330-Y1366 AromaticContact CZ-CD2 3.79Å; F1330-Y1366 HydrophobicContact CZ-CD2 3.79Å; F1330-Y1366 AromaticContact CZ-CE2 3.97Å; F1330-Y1366 HydrophobicContact CZ-CE2 3.97Å; N1331-Y1366 PolarHBondContact ND2-O 3.44Å; N1331-Y1366 PolarHBondContact OD1-N 3.35Å; N1331-Y1366 PolarHBondContact OD1-O 3.18Å; S1364-Y1366 PolarHBondContact OG-N 2.9Å; S1364-Y1366 PolarHBondContact OG-O 2.69Å; Y1366-E1370 WeakPolarHBondContact CD1-OE1 3.16Å; Y1366-E1370 WeakPolarHBondContact CD1-OE2 3.37Å; Y1366-L1371 HydrophobicContact CD2-CD2 4.09Å; Y1366-L1371 HydrophobicContact CG-CD2 4.05Å |
| 1367 | H | 95 | Very high | 95.2 | Very high | 78 Ų | 78 | 47.6 Ų | 47.6 | 36% | 0.361 | 23% | 0.23 | S | C | . | . | trans | -67.6 | 143 | 170.4 | -71.5 | -56.7 | 0 | 0 | 0 | 111.1 | H1310 H1369 E1370 L1371 | H1310-H1367 AromaticContact CD2-NE2 3.64Å; H1310-H1367 AromaticContact CG-CE1 3.63Å; H1310-H1367 AromaticContact CG-NE2 3.66Å; H1310-H1367 AromaticContact ND1-CE1 3.84Å; H1310-H1367 AromaticContact ND1-NE2 3.92Å; H1310-H1367 AromaticContact NE2-NE2 3.89Å; H1367-H1369 WeakPolarHBondContact CB-CE1 3.31Å; H1367-H1369 AromaticContact CD2-CE1 3.66Å; H1367-H1369 AromaticContact CG-CE1 3.61Å; H1367-H1369 PolarHBondContact O-N 3.15Å; H1367-H1369 VanDerWaalsContact O-N 3.15Å; H1367-E1370 WeakPolarHBondContact O-CB 3.42Å; H1367-E1370 PolarHBondContact O-N 3.37Å; H1367-L1371 PolarHBondContact O-N 3.17Å | ||
| 1368 | I | 95.1 | Very high | 95.4 | Very high | 29 Ų | 29 | 47.8 Ų | 47.8 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -52.9 | -37.8 | 176.5 | -61.9 | -59.6 | 0 | 0 | 0 | 112 | L832 F1291 E1370 L1371 A1372 | L832-I1368 HydrophobicContact CD1-CG2 4.18Å; L832-I1368 HydrophobicContact CD2-CG2 3.81Å; F1291-I1368 HydrophobicContact CE2-CG2 3.95Å; F1291-I1368 HydrophobicContact CZ-CG2 4.41Å; I1368-E1370 VanDerWaalsContact C-N 3.32Å; I1368-E1370 PolarHBondContact O-N 3.22Å; I1368-L1371 PolarHBondContact O-N 3.33Å; I1368-A1372 VanDerWaalsContact O-CB 3.31Å; I1368-A1372 WeakPolarHBondContact O-CB 3.06Å; I1368-A1372 PolarHBondContact O-N 3.19Å |
| 1369 | H | 95.5 | Very high | 95.6 | Very high | 129 Ų | 129 | 46.5 Ų | 46.5 | 60% | 0.597 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -67.6 | -29.9 | 178.6 | 66.1 | -107.8 | 0 | 0 | 0 | 113.2 | H1367 E1373 | H1367-H1369 WeakPolarHBondContact CB-CE1 3.31Å; H1367-H1369 AromaticContact CD2-CE1 3.66Å; H1367-H1369 AromaticContact CG-CE1 3.61Å; H1367-H1369 PolarHBondContact O-N 3.15Å; H1367-H1369 VanDerWaalsContact O-N 3.15Å; H1369-E1373 WeakPolarHBondContact O-CB 3.33Å; H1369-E1373 PolarHBondContact O-N 3.06Å |
| 1370 | E | 95.1 | Very high | 95.7 | Very high | 56 Ų | 56 | 45.1 Ų | 45.1 | 26% | 0.262 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.9 | -47.5 | 174.1 | -167 | -158.8 | 143.8 | 0 | 0 | 109.7 | K1270 Y1366 H1367 I1368 A1372 E1373 I1374 | K1270-E1370 WeakPolarHBondContact CE-OE1 3.2Å; K1270-E1370 IonicContact NZ-OE1 2.71Å; K1270-E1370 PolarHBondContact NZ-OE1 3.38Å; Y1366-E1370 WeakPolarHBondContact CD1-OE1 3.16Å; Y1366-E1370 WeakPolarHBondContact CD1-OE2 3.37Å; H1367-E1370 WeakPolarHBondContact O-CB 3.42Å; H1367-E1370 PolarHBondContact O-N 3.37Å; I1368-E1370 VanDerWaalsContact C-N 3.32Å; I1368-E1370 PolarHBondContact O-N 3.22Å; E1370-A1372 VanDerWaalsContact C-N 3.3Å; E1370-A1372 PolarHBondContact O-N 3.33Å; E1370-E1373 PolarHBondContact O-N 2.97Å; E1370-I1374 HydrophobicContact CG-CD1 3.99Å; E1370-I1374 VanDerWaalsContact O-CD1 3.24Å; E1370-I1374 WeakPolarHBondContact O-CD1 3.46Å; E1370-I1374 VanDerWaalsContact O-CG1 3.22Å; E1370-I1374 WeakPolarHBondContact O-CG1 3.49Å; E1370-I1374 PolarHBondContact O-N 3.08Å |
| 1371 | L | 96.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.6 | -41.8 | 175.4 | -61.6 | -177 | 0 | 0 | 0 | 111.8 | W1266 F1291 F1330 N1331 Y1366 H1367 I1368 I1374 F1375 | W1266-L1371 HydrophobicContact CD2-CD2 4.01Å; W1266-L1371 HydrophobicContact CE3-CD2 3.79Å; W1266-L1371 HydrophobicContact CH2-CB 3.76Å; W1266-L1371 HydrophobicContact CH2-CD2 4Å; W1266-L1371 HydrophobicContact CH2-CG 4.37Å; W1266-L1371 HydrophobicContact CZ2-CB 4.43Å; W1266-L1371 HydrophobicContact CZ2-CD2 4.19Å; W1266-L1371 HydrophobicContact CZ3-CB 3.99Å; W1266-L1371 HydrophobicContact CZ3-CD2 3.79Å; W1266-L1371 HydrophobicContact CZ3-CG 4.49Å; W1266-L1371 VanDerWaalsContact CZ3-O 3.32Å; W1266-L1371 WeakPolarHBondContact CZ3-O 3.48Å; F1291-L1371 HydrophobicContact CD2-CB 3.76Å; F1291-L1371 HydrophobicContact CD2-CD1 4.49Å; F1291-L1371 HydrophobicContact CE2-CB 3.99Å; F1330-L1371 HydrophobicContact CE1-CD1 4.24Å; F1330-L1371 HydrophobicContact CE1-CD2 4.35Å; F1330-L1371 HydrophobicContact CZ-CD2 4.06Å; N1331-L1371 WeakPolarHBondContact ND2-CD1 3.39Å; Y1366-L1371 HydrophobicContact CD2-CD2 4.09Å; Y1366-L1371 HydrophobicContact CG-CD2 4.05Å; H1367-L1371 PolarHBondContact O-N 3.17Å; I1368-L1371 PolarHBondContact O-N 3.33Å; L1371-I1374 HydrophobicContact CD2-CD1 4.5Å; L1371-I1374 PolarHBondContact O-N 3.33Å; L1371-F1375 VanDerWaalsContact O-CB 3.28Å; L1371-F1375 WeakPolarHBondContact O-CB 3.43Å; L1371-F1375 PolarHBondContact O-N 2.72Å |
| 1372 | A | 97.4 | Very high | 94.8 | Very high | 8 Ų | 8 | 48.6 Ų | 48.6 | 7% | 0.066 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.4 | -47.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L832 F1291 I1368 E1370 F1375 D1376 | L832-A1372 HydrophobicContact CD1-CB 4.49Å; F1291-A1372 HydrophobicContact CE2-CB 4.1Å; F1291-A1372 HydrophobicContact CZ-CB 3.9Å; I1368-A1372 VanDerWaalsContact O-CB 3.31Å; I1368-A1372 WeakPolarHBondContact O-CB 3.06Å; I1368-A1372 PolarHBondContact O-N 3.19Å; E1370-A1372 VanDerWaalsContact C-N 3.3Å; E1370-A1372 PolarHBondContact O-N 3.33Å; A1372-F1375 PolarHBondContact O-N 3.07Å; A1372-D1376 PolarHBondContact O-N 2.87Å |
| 1373 | E | 97.1 | Very high | 93.5 | Very high | 101 Ų | 101 | 55.2 Ų | 55.2 | 47% | 0.472 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 178.9 | -174.2 | -179.2 | -164.5 | 0 | 0 | 112.2 | H1369 E1370 K1377 | H1369-E1373 WeakPolarHBondContact O-CB 3.33Å; H1369-E1373 PolarHBondContact O-N 3.06Å; E1370-E1373 PolarHBondContact O-N 2.97Å; E1373-K1377 HydrophobicContact CG-CD 4.02Å; E1373-K1377 VanDerWaalsContact O-CB 3.27Å; E1373-K1377 WeakPolarHBondContact O-CB 3.48Å; E1373-K1377 VanDerWaalsContact O-CG 3.23Å; E1373-K1377 WeakPolarHBondContact O-CG 3.23Å; E1373-K1377 PolarHBondContact O-N 3.23Å; E1373-K1377 WeakPolarHBondContact OE1-CE 3.37Å; E1373-K1377 IonicContact OE1-NZ 2.6Å; E1373-K1377 PolarHBondContact OE1-NZ 3.17Å; E1373-K1377 IonicContact OE2-NZ 3.94Å |
| 1374 | I | 96.6 | Very high | 91.7 | Very high | 16 Ų | 16 | 59.6 Ų | 59.6 | 8% | 0.082 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.3 | -44 | 175.6 | -60.1 | 150.4 | 0 | 0 | 0 | 110.5 | W1266 A1269 K1270 E1370 L1371 D1376 K1377 F1378 | W1266-I1374 HydrophobicContact CE3-CB 4.24Å; W1266-I1374 HydrophobicContact CE3-CD1 4.21Å; W1266-I1374 HydrophobicContact CE3-CG2 3.89Å; W1266-I1374 HydrophobicContact CZ3-CB 3.97Å; W1266-I1374 HydrophobicContact CZ3-CD1 4.38Å; W1266-I1374 HydrophobicContact CZ3-CG2 3.99Å; A1269-I1374 HydrophobicContact CB-CG2 4.06Å; K1270-I1374 HydrophobicContact CD-CD1 4.31Å; K1270-I1374 HydrophobicContact CG-CD1 4.17Å; K1270-I1374 HydrophobicContact CG-CG1 4.18Å; K1270-I1374 HydrophobicContact CG-CG2 4.08Å; E1370-I1374 HydrophobicContact CG-CD1 3.99Å; E1370-I1374 VanDerWaalsContact O-CD1 3.24Å; E1370-I1374 WeakPolarHBondContact O-CD1 3.46Å; E1370-I1374 VanDerWaalsContact O-CG1 3.22Å; E1370-I1374 WeakPolarHBondContact O-CG1 3.49Å; E1370-I1374 PolarHBondContact O-N 3.08Å; L1371-I1374 HydrophobicContact CD2-CD1 4.5Å; L1371-I1374 PolarHBondContact O-N 3.33Å; I1374-D1376 PolarHBondContact O-N 3.03Å; I1374-K1377 PolarHBondContact O-N 3.12Å; I1374-F1378 WeakPolarHBondContact O-CB 3.37Å; I1374-F1378 PolarHBondContact O-N 3.11Å |
| 1375 | F | 97.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.7 | -41.7 | -179.9 | -178.4 | -90.9 | 0 | 0 | 0 | 112.4 | M826 I831 W1266 K1284 L1287 L1288 L1371 A1372 | M826-F1375 WeakPolarHBondContact O-CE1 3.49Å; I831-F1375 HydrophobicContact CD1-CD1 4.41Å; I831-F1375 HydrophobicContact CD1-CE1 3.6Å; I831-F1375 HydrophobicContact CD1-CZ 3.85Å; W1266-F1375 HydrophobicContact CH2-CB 4.44Å; K1284-F1375 HydrophobicContact CD-CE2 4.35Å; K1284-F1375 HydrophobicContact CD-CZ 4.35Å; K1284-F1375 WeakPolarHBondContact CE-O 3.36Å; K1284-F1375 HydrophobicContact CG-CD2 4.38Å; K1284-F1375 HydrophobicContact CG-CE2 3.7Å; K1284-F1375 HydrophobicContact CG-CZ 4.06Å; K1284-F1375 PolarHBondContact NZ-O 2.84Å; L1287-F1375 HydrophobicContact CB-CD2 3.81Å; L1287-F1375 HydrophobicContact CB-CE2 4.18Å; L1287-F1375 HydrophobicContact CD1-CD2 4.42Å; L1288-F1375 HydrophobicContact CB-CE2 3.99Å; L1288-F1375 HydrophobicContact CB-CZ 4.4Å; L1288-F1375 HydrophobicContact CD1-CE2 4.47Å; L1288-F1375 HydrophobicContact CD1-CZ 4.22Å; L1371-F1375 VanDerWaalsContact O-CB 3.28Å; L1371-F1375 WeakPolarHBondContact O-CB 3.43Å; L1371-F1375 PolarHBondContact O-N 2.72Å; A1372-F1375 PolarHBondContact O-N 3.07Å |
| 1376 | D | 97.1 | Very high | 87.2 | Confident | 45 Ų | 45 | 72.2 Ų | 72.2 | 24% | 0.241 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -77 | -31.3 | 177.8 | -74.9 | -19.7 | 0 | 0 | 0 | 112.8 | S827 S828 A1372 I1374 Q1379 | S827-D1376 WeakPolarHBondContact CA-OD1 3.48Å; S828-D1376 VanDerWaalsContact CB-OD2 3.28Å; S828-D1376 WeakPolarHBondContact CB-OD2 3.4Å; S828-D1376 PolarHBondContact N-OD1 3.25Å; S828-D1376 PolarHBondContact N-OD2 3.37Å; S828-D1376 PolarHBondContact OG-OD2 3.01Å; A1372-D1376 PolarHBondContact O-N 2.87Å; I1374-D1376 PolarHBondContact O-N 3.03Å; D1376-Q1379 WeakPolarHBondContact O-CG 3.41Å; D1376-Q1379 PolarHBondContact O-NE2 3.14Å |
| 1377 | K | 96.3 | Very high | 84.6 | Confident | 139 Ų | 139 | 76.1 Ų | 76.1 | 60% | 0.604 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -71.5 | -28.5 | 172.4 | -77.2 | 176.8 | -176.2 | 172.1 | 0 | 113.4 | E1373 I1374 Q1379 | E1373-K1377 HydrophobicContact CG-CD 4.02Å; E1373-K1377 VanDerWaalsContact O-CB 3.27Å; E1373-K1377 WeakPolarHBondContact O-CB 3.48Å; E1373-K1377 VanDerWaalsContact O-CG 3.23Å; E1373-K1377 WeakPolarHBondContact O-CG 3.23Å; E1373-K1377 PolarHBondContact O-N 3.23Å; E1373-K1377 WeakPolarHBondContact OE1-CE 3.37Å; E1373-K1377 IonicContact OE1-NZ 2.6Å; E1373-K1377 PolarHBondContact OE1-NZ 3.17Å; E1373-K1377 IonicContact OE2-NZ 3.94Å; I1374-K1377 PolarHBondContact O-N 3.12Å; K1377-Q1379 PolarHBondContact O-N 3.4Å |
| 1378 | F | 96.4 | Very high | 81.7 | Confident | 7 Ų | 7 | 82.1 Ų | 82.1 | 3% | 0.031 | 43% | 0.425 | C | S | . | . | trans | -72.8 | 98.1 | 177 | -172.2 | -113.9 | 0 | 0 | 0 | 110.2 | A1269 I1274 F1280 I1283 K1284 L1287 I1374 | A1269-F1378 HydrophobicContact CB-CB 4.22Å; A1269-F1378 HydrophobicContact CB-CD1 4.43Å; A1269-F1378 HydrophobicContact CB-CD2 3.77Å; A1269-F1378 HydrophobicContact CB-CE2 4.21Å; A1269-F1378 HydrophobicContact CB-CG 3.89Å; I1274-F1378 HydrophobicContact CD1-CE2 4.28Å; I1274-F1378 HydrophobicContact CD1-CZ 4.06Å; I1274-F1378 HydrophobicContact CG1-CE2 4.29Å; I1274-F1378 HydrophobicContact CG1-CZ 4.4Å; F1280-F1378 AromaticContact CD2-CD1 3.98Å; F1280-F1378 HydrophobicContact CD2-CD1 3.98Å; F1280-F1378 AromaticContact CD2-CE1 3.46Å; F1280-F1378 HydrophobicContact CD2-CE1 3.46Å; F1280-F1378 VanDerWaalsContact CD2-CE1 3.46Å; F1280-F1378 HydrophobicContact CD2-CE2 4.4Å; F1280-F1378 AromaticContact CD2-CZ 3.71Å; F1280-F1378 HydrophobicContact CD2-CZ 3.71Å; F1280-F1378 AromaticContact CE2-CD1 3.57Å; F1280-F1378 HydrophobicContact CE2-CD1 3.57Å; F1280-F1378 AromaticContact CE2-CE1 3.56Å; F1280-F1378 HydrophobicContact CE2-CE1 3.56Å; F1280-F1378 HydrophobicContact CE2-CG 4.16Å; F1280-F1378 HydrophobicContact CE2-CZ 4.14Å; F1280-F1378 WeakPolarHBondContact CE2-O 3.45Å; F1280-F1378 HydrophobicContact CG-CE1 4.44Å; F1280-F1378 HydrophobicContact CZ-CD1 4.5Å; I1283-F1378 HydrophobicContact CB-CE1 4.1Å; I1283-F1378 HydrophobicContact CB-CZ 4.14Å; I1283-F1378 HydrophobicContact CG2-CE1 3.63Å; I1283-F1378 HydrophobicContact CG2-CZ 3.66Å; K1284-F1378 HydrophobicContact CB-CD1 4.19Å; K1284-F1378 HydrophobicContact CB-CE1 4.14Å; K1284-F1378 HydrophobicContact CD-CD1 4.27Å; K1284-F1378 HydrophobicContact CG-CD1 4.37Å; K1284-F1378 PolarHBondContact NZ-O 3.41Å; L1287-F1378 HydrophobicContact CD1-CB 4.36Å; L1287-F1378 HydrophobicContact CD1-CD1 3.67Å; L1287-F1378 HydrophobicContact CD1-CE1 4.26Å; L1287-F1378 HydrophobicContact CD1-CG 4.16Å; I1374-F1378 WeakPolarHBondContact O-CB 3.37Å; I1374-F1378 PolarHBondContact O-N 3.11Å | ||
| 1379 | Q | 94.4 | Very high | 78.8 | Confident | 136 Ų | 136 | 86.4 Ų | 86.4 | 64% | 0.636 | 46% | 0.455 | S | S | * | . | trans | -129.8 | 150.2 | -175.3 | -61 | -179.1 | 12.6 | 0 | 0 | 110.8 | D1376 K1377 Q1381 | D1376-Q1379 WeakPolarHBondContact O-CG 3.41Å; D1376-Q1379 PolarHBondContact O-NE2 3.14Å; K1377-Q1379 PolarHBondContact O-N 3.4Å; Q1379-Q1381 PolarHBondContact O-N 2.97Å | ||
| 1380 | L | 92.9 | Very high | 75.8 | Confident | 57 Ų | 57 | 87.6 Ų | 87.6 | 30% | 0.298 | 47% | 0.471 | S | S | . | . | trans | -63.8 | 123.2 | 178.5 | -178.1 | 65 | 0 | 0 | 0 | 110.7 | P1277 F1280 T1382 | P1277-L1380 HydrophobicContact CB-CD2 4.35Å; P1277-L1380 HydrophobicContact CG-CD1 4.44Å; P1277-L1380 HydrophobicContact CG-CD2 4.25Å; F1280-L1380 HydrophobicContact CB-CD1 3.9Å; F1280-L1380 HydrophobicContact CD1-CB 3.98Å; F1280-L1380 HydrophobicContact CD1-CD1 4.37Å; F1280-L1380 HydrophobicContact CD2-CB 4.39Å; F1280-L1380 HydrophobicContact CE1-CB 4.11Å; F1280-L1380 HydrophobicContact CG-CB 4.13Å; F1280-L1380 HydrophobicContact CG-CD1 4.09Å; F1280-L1380 HydrophobicContact CZ-CB 4.38Å; L1380-T1382 HydrophobicContact CD2-CG2 4.24Å; L1380-T1382 HydrophobicContact CG-CG2 4.21Å; L1380-T1382 PolarHBondContact O-N 3.34Å | ||
| 1381 | Q | 89.4 | Confident | 73 | Confident | 50 Ų | 50 | 87.8 Ų | 87.8 | 23% | 0.234 | 49% | 0.489 | C | S | . | . | trans | -76.9 | 87.8 | 179.7 | 178.3 | 58.4 | 50.9 | 0 | 0 | 110.4 | K1273 I1274 Q1379 Q1383 | K1273-Q1381 HydrophobicContact CB-CB 4.27Å; K1273-Q1381 HydrophobicContact CB-CG 4.42Å; I1274-Q1381 WeakPolarHBondContact O-CB 3.49Å; I1274-Q1381 PolarHBondContact O-N 3.36Å; Q1379-Q1381 PolarHBondContact O-N 2.97Å; Q1381-Q1383 PolarHBondContact NE2-O 3.14Å | ||
| 1382 | T | 80.8 | Confident | 69.7 | Low | 117 Ų | 117 | 97.9 Ų | 97.9 | 72% | 0.718 | 53% | 0.532 | S | S | * | . | trans | -82.8 | -21.5 | -177.7 | 53.7 | 0 | 0 | 0 | 0 | 114.6 | L1380 | L1380-T1382 HydrophobicContact CD2-CG2 4.24Å; L1380-T1382 HydrophobicContact CG-CG2 4.21Å; L1380-T1382 PolarHBondContact O-N 3.34Å | ||
| 1383 | Q | 68.3 | Low | 66.6 | Low | 145 Ų | 145 | 108 Ų | 108 | 68% | 0.678 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -81.1 | 132.7 | 177.1 | -64.5 | -179 | -4.4 | 0 | 0 | 110.6 | Q1381 | Q1381-Q1383 PolarHBondContact NE2-O 3.14Š|
| 1384 | P | 57.2 | Low | 65.1 | Low | 117 Ų | 117 | 108.3 Ų | 108.3 | 76% | 0.76 | 60% | 0.599 | S | S | * | * | trans | -63.6 | 143.8 | 173.8 | 28.4 | -34.6 | 0 | 0 | 0 | 110.2 | T1386 | P1384-T1386 PolarHBondContact O-N 3.13Š| ||
| 1385 | I | 54.8 | Low | 63.4 | Low | 148 Ų | 148 | 113.2 Ų | 113.2 | 76% | 0.759 | 63% | 0.627 | S | S | * | * | trans | -66.5 | 106.4 | 177.2 | -58.1 | 174.2 | 0 | 0 | 0 | 108.3 | A1387 | I1385-A1387 PolarHBondContact O-N 3.49Å; I1385-A1387 VanDerWaalsContact O-N 3.15Å | ||
| 1386 | T | 41.9 | Very low | 61.5 | Low | 128 Ų | 128 | 119.4 Ų | 119.4 | 79% | 0.785 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 116.4 | 163.8 | 36.5 | 0 | 0 | 0 | 0 | 107.9 | P1384 Y1388 | P1384-T1386 PolarHBondContact O-N 3.13Å; T1386-Y1388 PolarHBondContact O-N 3.45Å |
| 1387 | A | 40 | Very low | 59.4 | Low | 92 Ų | 92 | 123.8 Ų | 123.8 | 76% | 0.76 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 126.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | I1385 | I1385-A1387 PolarHBondContact O-N 3.49Å; I1385-A1387 VanDerWaalsContact O-N 3.15Å |
| 1388 | Y | 35.5 | Very low | 57.1 | Low | 203 Ų | 203 | 122.9 Ų | 122.9 | 80% | 0.796 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 130.1 | 175.6 | -85.3 | -94 | 0 | 0 | 0 | 109.6 | T1386 V1390 | T1386-Y1388 PolarHBondContact O-N 3.45Å; Y1388-V1390 PolarHBondContact O-N 3.43Å |
| 1389 | P | 34.4 | Very low | 54.5 | Low | 119 Ų | 119 | 130.6 Ų | 130.6 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | -67.1 | 105.7 | 172.4 | 27.5 | -32.5 | 0 | 0 | 0 | 108.6 | G1391 | P1389-G1391 VanDerWaalsContact C-N 3.26Å; P1389-G1391 PolarHBondContact O-N 2.85Å | ||
| 1390 | V | 32.5 | Very low | 51.6 | Low | 154 Ų | 154 | 130.2 Ų | 130.2 | 93% | 0.933 | 74% | 0.742 | S | S | * | * | trans | -70.4 | 86.7 | 174.6 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | Y1388 | Y1388-V1390 PolarHBondContact O-N 3.43Š| ||
| 1391 | G | 35 | Very low | 48.4 | Very low | 61 Ų | 61 | 135.8 Ų | 135.8 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | trans | -146.1 | 89 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P1389 | P1389-G1391 VanDerWaalsContact C-N 3.26Å; P1389-G1391 PolarHBondContact O-N 2.85Å | ||
| 1392 | K | 28.8 | Very low | 45 | Very low | 212 Ų | 212 | 143 Ų | 143 | 92% | 0.922 | 82% | 0.822 | S | S | * | * | trans | 57.7 | 91.7 | 161 | -60.9 | -176.5 | 178.2 | -178.4 | 0 | 117.8 | ||||
| 1393 | T | 31.2 | Very low | 41.8 | Very low | 220 Ų | 220 | 145.4 Ų | 145.4 | 100% | 1.35 | 83% | 0.831 | S | S | * | * | -126.4 | 0 | 128.8 | 54.3 | 0 | 0 | 0 | 0 | 107.5 |
Retrieved 1,393 of 1,393 residues in 1539.9 ms
(Link to these results)