| 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 | 38.1 | Very low | 74.6 | Confident | 221 Ų | 221 | 100.5 Ų | 100.5 | 100% | 1.089 | 54% | 0.543 | S | S | * | . | 0 | 123.2 | 0 | -63.6 | -178.7 | -152.8 | 0 | 0 | 107.3 | R3 | M1-R3 PolarHBondContact O-N 3.46Š| |||
| 2 | T | 46 | Very low | 76.4 | Confident | 142 Ų | 142 | 92.3 Ų | 92.3 | 87% | 0.871 | 50% | 0.498 | S | S | * | . | trans | -71.1 | 117.5 | 171.7 | 28.6 | 0 | 0 | 0 | 0 | 108.2 | K4 | T2-K4 PolarHBondContact O-N 2.75Š| ||
| 3 | R | 56.8 | Low | 77.8 | Confident | 82 Ų | 82 | 92.7 Ų | 92.7 | 31% | 0.309 | 49% | 0.488 | S | S | . | . | trans | -61.1 | 129.5 | -173.8 | -163.8 | -178.4 | -167.4 | 178.6 | 3.9 | 110.5 | M1 G5 K739 E767 | M1-R3 PolarHBondContact O-N 3.46Å; R3-G5 PolarHBondContact O-N 3.2Å; R3-G5 VanDerWaalsContact O-N 3.14Å; R3-K739 PolarHBondContact NH1-O 3.31Å; R3-K739 VanDerWaalsContact NH1-O 3.12Å; R3-K739 PolarHBondContact NH2-O 3.43Å; R3-E767 IonicContact CZ-OE1 2.72Å; R3-E767 IonicContact NE-OE1 3.78Å; R3-E767 PolarHBondContact NE-OE1 3.28Å; R3-E767 IonicContact NE-OE2 3.87Å; R3-E767 IonicContact NH2-OE1 3.73Å; R3-E767 PolarHBondContact NH2-OE1 3.5Å | ||
| 4 | K | 55.6 | Low | 79.2 | Confident | 226 Ų | 226 | 96.2 Ų | 96.2 | 98% | 0.983 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -81.2 | 21.9 | -173.6 | -79.3 | -171 | 174 | -177.2 | 0 | 115.2 | T2 | T2-K4 PolarHBondContact O-N 2.75Š|
| 5 | G | 69.2 | Low | 80.4 | Confident | 52 Ų | 52 | 90.3 Ų | 90.3 | 54% | 0.536 | 47% | 0.466 | S | S | . | . | trans | 144.2 | 146.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | R3 | R3-G5 PolarHBondContact O-N 3.2Å; R3-G5 VanDerWaalsContact O-N 3.14Å | ||
| 6 | T | 85.7 | Confident | 81.5 | Confident | 69 Ų | 69 | 85.3 Ų | 85.3 | 42% | 0.423 | 44% | 0.44 | S | S | . | . | trans | -110.1 | -5 | -179.4 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | K8 L9 D10 | T6-K8 VanDerWaalsContact C-N 3.29Å; T6-K8 PolarHBondContact O-N 2.87Å; T6-K8 VanDerWaalsContact O-N 3.1Å; T6-L9 CarbonylContact O-C 3.44Å; T6-L9 WeakPolarHBondContact O-CA 3.32Å; T6-L9 WeakPolarHBondContact O-CB 3.32Å; T6-L9 PolarHBondContact O-N 2.99Å; T6-D10 VanDerWaalsContact CB-OD2 3.32Å; T6-D10 WeakPolarHBondContact CB-OD2 3.44Å; T6-D10 VanDerWaalsContact O-CG 3.29Å; T6-D10 PolarHBondContact O-N 2.79Å; T6-D10 PolarHBondContact OG1-OD2 2.94Å | ||
| 7 | A | 91.6 | Very high | 82.4 | Confident | 73 Ų | 73 | 82 Ų | 82 | 60% | 0.603 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -50.5 | -44.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L9 D10 E11 | A7-L9 PolarHBondContact O-N 3.1Å; A7-D10 PolarHBondContact O-N 3.18Å; A7-E11 WeakPolarHBondContact O-CB 3.42Å; A7-E11 PolarHBondContact O-N 3.49Å |
| 8 | K | 93.5 | Very high | 83.2 | Confident | 82 Ų | 82 | 82.4 Ų | 82.4 | 36% | 0.357 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 177.3 | -63.5 | -171.6 | 171.5 | -165 | 0 | 113 | T6 L12 L771 Y774 | T6-K8 VanDerWaalsContact C-N 3.29Å; T6-K8 PolarHBondContact O-N 2.87Å; T6-K8 VanDerWaalsContact O-N 3.1Å; K8-L12 WeakPolarHBondContact O-CG 3.47Å; K8-L12 PolarHBondContact O-N 3.34Å; K8-L12 VanDerWaalsContact O-N 3.14Å; K8-L771 HydrophobicContact CD-CD2 4.01Å; K8-Y774 HydrophobicContact CB-CD1 4.35Å; K8-Y774 HydrophobicContact CB-CD2 3.68Å; K8-Y774 HydrophobicContact CB-CE2 3.91Å; K8-Y774 HydrophobicContact CB-CG 3.91Å; K8-Y774 HydrophobicContact CD-CD1 3.54Å; K8-Y774 HydrophobicContact CD-CD2 4.4Å; K8-Y774 HydrophobicContact CD-CE1 3.86Å; K8-Y774 HydrophobicContact CD-CG 3.82Å; K8-Y774 HydrophobicContact CG-CD1 3.83Å; K8-Y774 HydrophobicContact CG-CD2 3.99Å; K8-Y774 HydrophobicContact CG-CE1 3.76Å; K8-Y774 HydrophobicContact CG-CE2 3.96Å; K8-Y774 HydrophobicContact CG-CG 3.92Å |
| 9 | L | 94.3 | Very high | 84 | Confident | 5 Ų | 5 | 78.2 Ų | 78.2 | 3% | 0.026 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.4 | -45.9 | 174.6 | 172.8 | 65.2 | 0 | 0 | 0 | 110.6 | T6 A7 E11 L12 R13 E738 K739 L770 | T6-L9 CarbonylContact O-C 3.44Å; T6-L9 WeakPolarHBondContact O-CA 3.32Å; T6-L9 WeakPolarHBondContact O-CB 3.32Å; T6-L9 PolarHBondContact O-N 2.99Å; A7-L9 PolarHBondContact O-N 3.1Å; L9-E11 PolarHBondContact O-N 3.07Å; L9-L12 PolarHBondContact O-N 3.09Å; L9-R13 HydrophobicContact CD1-CG 3.93Å; L9-R13 HydrophobicContact CG-CG 4.24Å; L9-R13 WeakPolarHBondContact O-CB 3.49Å; L9-R13 WeakPolarHBondContact O-CG 3.44Å; L9-R13 PolarHBondContact O-N 3.13Å; L9-E738 WeakPolarHBondContact CD2-O 3.41Å; L9-K739 WeakPolarHBondContact CD2-O 3.49Å; L9-L770 HydrophobicContact CB-CD2 4.14Å; L9-L770 HydrophobicContact CD1-CD1 3.8Å; L9-L770 HydrophobicContact CD1-CD2 4.25Å |
| 10 | D | 94.6 | Very high | 84.7 | Confident | 76 Ų | 76 | 76.6 Ų | 76.6 | 41% | 0.406 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.7 | -37.8 | -177.3 | -61.8 | -32.8 | 0 | 0 | 0 | 110.8 | T6 A7 K14 | T6-D10 VanDerWaalsContact CB-OD2 3.32Å; T6-D10 WeakPolarHBondContact CB-OD2 3.44Å; T6-D10 VanDerWaalsContact O-CG 3.29Å; T6-D10 PolarHBondContact O-N 2.79Å; T6-D10 PolarHBondContact OG1-OD2 2.94Å; A7-D10 PolarHBondContact O-N 3.18Å; D10-K14 WeakPolarHBondContact O-CB 3.46Å; D10-K14 PolarHBondContact O-N 3.2Å |
| 11 | E | 95.7 | Very high | 85.3 | Confident | 78 Ų | 78 | 77.2 Ų | 77.2 | 36% | 0.364 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.5 | -45.9 | 172.8 | -174.9 | 169.3 | -174.9 | 0 | 0 | 112.8 | A7 L9 R13 K14 I15 Y774 | A7-E11 WeakPolarHBondContact O-CB 3.42Å; A7-E11 PolarHBondContact O-N 3.49Å; L9-E11 PolarHBondContact O-N 3.07Å; E11-R13 VanDerWaalsContact C-N 3.33Å; E11-R13 PolarHBondContact O-N 3.27Å; E11-K14 WeakPolarHBondContact O-CB 3.47Å; E11-K14 PolarHBondContact O-N 2.76Å; E11-I15 HydrophobicContact CG-CD1 4.38Å; E11-I15 WeakPolarHBondContact O-CG1 3.46Å; E11-I15 PolarHBondContact O-N 3.38Å; E11-Y774 HydrophobicContact CB-CE2 4.12Å; E11-Y774 HydrophobicContact CG-CE2 4.2Å; E11-Y774 WeakPolarHBondContact OE2-CE2 3.22Å; E11-Y774 VanDerWaalsContact OE2-CZ 3.27Å; E11-Y774 PolarHBondContact OE2-OH 3.12Å |
| 12 | L | 96 | Very high | 88.1 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 176.4 | -72.7 | 172.9 | 0 | 0 | 0 | 112 | K8 L9 K14 I15 E16 L770 Y774 L777 V880 | K8-L12 WeakPolarHBondContact O-CG 3.47Å; K8-L12 PolarHBondContact O-N 3.34Å; K8-L12 VanDerWaalsContact O-N 3.14Å; L9-L12 PolarHBondContact O-N 3.09Å; L12-K14 VanDerWaalsContact C-N 3.33Å; L12-K14 PolarHBondContact O-N 2.75Å; L12-I15 HydrophobicContact CD2-CD1 4.41Å; L12-I15 WeakPolarHBondContact O-CB 3.45Å; L12-I15 PolarHBondContact O-N 3.42Å; L12-E16 VanDerWaalsContact O-CG 3.24Å; L12-E16 WeakPolarHBondContact O-CG 3.5Å; L12-E16 PolarHBondContact O-N 2.9Å; L12-L770 HydrophobicContact CB-CD1 4.44Å; L12-L770 HydrophobicContact CD1-CD1 3.31Å; L12-L770 HydrophobicContact CD1-CG 4.05Å; L12-L770 HydrophobicContact CG-CD1 4.47Å; L12-Y774 HydrophobicContact CD1-CD2 4.22Å; L12-Y774 HydrophobicContact CD2-CD2 4.49Å; L12-Y774 HydrophobicContact CG-CD2 4.07Å; L12-L777 HydrophobicContact CD2-CD2 4.37Å; L12-V880 HydrophobicContact CD2-CG2 3.72Å |
| 13 | R | 94.9 | Very high | 90.6 | Very high | 98 Ų | 98 | 62.6 Ų | 62.6 | 37% | 0.37 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.3 | -35.5 | 174.5 | -72.5 | 176.3 | 68.1 | 179.5 | 5.3 | 112.5 | L9 E11 E16 G17 | L9-R13 HydrophobicContact CD1-CG 3.93Å; L9-R13 HydrophobicContact CG-CG 4.24Å; L9-R13 WeakPolarHBondContact O-CB 3.49Å; L9-R13 WeakPolarHBondContact O-CG 3.44Å; L9-R13 PolarHBondContact O-N 3.13Å; E11-R13 VanDerWaalsContact C-N 3.33Å; E11-R13 PolarHBondContact O-N 3.27Å; R13-E16 PolarHBondContact O-N 2.96Å; R13-G17 PolarHBondContact O-N 2.8Å |
| 14 | K | 96.8 | Very high | 92.4 | Very high | 142 Ų | 142 | 64.1 Ų | 64.1 | 62% | 0.617 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64 | -44 | 172.9 | -177.8 | -176 | 175.5 | -173 | 0 | 110.8 | D10 E11 L12 G17 Q18 | D10-K14 WeakPolarHBondContact O-CB 3.46Å; D10-K14 PolarHBondContact O-N 3.2Å; E11-K14 WeakPolarHBondContact O-CB 3.47Å; E11-K14 PolarHBondContact O-N 2.76Å; L12-K14 VanDerWaalsContact C-N 3.33Å; L12-K14 PolarHBondContact O-N 2.75Å; K14-G17 PolarHBondContact O-N 3.46Å; K14-Q18 WeakPolarHBondContact O-CG 3.42Å; K14-Q18 PolarHBondContact O-N 2.9Å; K14-Q18 VanDerWaalsContact O-N 3.12Å |
| 15 | I | 97.6 | Very high | 94.4 | Very high | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 174.6 | -72.2 | 167.4 | 0 | 0 | 0 | 110.7 | E11 L12 G17 Q18 V19 L777 H883 | E11-I15 HydrophobicContact CG-CD1 4.38Å; E11-I15 WeakPolarHBondContact O-CG1 3.46Å; E11-I15 PolarHBondContact O-N 3.38Å; L12-I15 HydrophobicContact CD2-CD1 4.41Å; L12-I15 WeakPolarHBondContact O-CB 3.45Å; L12-I15 PolarHBondContact O-N 3.42Å; I15-G17 VanDerWaalsContact C-N 3.35Å; I15-G17 PolarHBondContact O-N 2.93Å; I15-Q18 PolarHBondContact O-N 2.91Å; I15-V19 HydrophobicContact CG2-CG2 4.29Å; I15-V19 WeakPolarHBondContact O-CB 3.31Å; I15-V19 WeakPolarHBondContact O-CG2 3.09Å; I15-V19 PolarHBondContact O-N 3.2Å; I15-L777 HydrophobicContact CD1-CD2 3.45Å; I15-L777 VanDerWaalsContact CD1-CD2 3.45Å; I15-H883 HydrophobicContact CG2-CB 3.38Å |
| 16 | E | 97.6 | Very high | 95.7 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 5% | 0.051 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -54.2 | -49.8 | 177.1 | -73.2 | 164.9 | 179.5 | 0 | 0 | 111.3 | L12 R13 Q18 V19 Q20 S741 A742 H879 | L12-E16 VanDerWaalsContact O-CG 3.24Å; L12-E16 WeakPolarHBondContact O-CG 3.5Å; L12-E16 PolarHBondContact O-N 2.9Å; R13-E16 PolarHBondContact O-N 2.96Å; E16-Q18 PolarHBondContact O-N 3.15Å; E16-V19 PolarHBondContact O-N 3.18Å; E16-Q20 WeakPolarHBondContact O-CB 3.42Å; E16-Q20 WeakPolarHBondContact O-CG 3.2Å; E16-Q20 PolarHBondContact O-N 3.22Å; E16-S741 WeakPolarHBondContact OE1-CB 3.47Å; E16-S741 PolarHBondContact OE1-OG 3.03Å; E16-A742 HydrophobicContact CG-CB 4.39Å; E16-A742 PolarHBondContact OE1-N 2.81Å; E16-H879 HydrophobicContact CG-CB 3.83Å |
| 17 | G | 96.8 | Very high | 96.2 | Very high | 29 Ų | 29 | 61.9 Ų | 61.9 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | R13 K14 I15 T21 | R13-G17 PolarHBondContact O-N 2.8Å; K14-G17 PolarHBondContact O-N 3.46Å; I15-G17 VanDerWaalsContact C-N 3.35Å; I15-G17 PolarHBondContact O-N 2.93Å; G17-T21 WeakPolarHBondContact O-CB 3.33Å; G17-T21 PolarHBondContact O-N 3.24Å; G17-T21 PolarHBondContact O-OG1 2.78Å |
| 18 | Q | 97.8 | Very high | 96.5 | Very high | 89 Ų | 89 | 59.1 Ų | 59.1 | 42% | 0.416 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.5 | -46.6 | 175.5 | -72 | 176.4 | -15.3 | 0 | 0 | 111.8 | K14 I15 E16 T21 F22 | K14-Q18 WeakPolarHBondContact O-CG 3.42Å; K14-Q18 PolarHBondContact O-N 2.9Å; K14-Q18 VanDerWaalsContact O-N 3.12Å; I15-Q18 PolarHBondContact O-N 2.91Å; E16-Q18 PolarHBondContact O-N 3.15Å; Q18-T21 PolarHBondContact O-N 3.21Å; Q18-F22 PolarHBondContact O-N 3.38Å |
| 19 | V | 98.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 178.5 | 164.8 | 0 | 0 | 0 | 0 | 111.4 | I15 E16 T21 F22 W23 E882 H883 | I15-V19 HydrophobicContact CG2-CG2 4.29Å; I15-V19 WeakPolarHBondContact O-CB 3.31Å; I15-V19 WeakPolarHBondContact O-CG2 3.09Å; I15-V19 PolarHBondContact O-N 3.2Å; E16-V19 PolarHBondContact O-N 3.18Å; V19-T21 VanDerWaalsContact C-N 3.34Å; V19-T21 PolarHBondContact O-N 3.32Å; V19-F22 WeakPolarHBondContact O-CB 3.35Å; V19-F22 PolarHBondContact O-N 3.44Å; V19-F22 VanDerWaalsContact O-N 3.16Å; V19-W23 HydrophobicContact CG1-CD2 3.72Å; V19-W23 HydrophobicContact CG1-CE3 3.92Å; V19-W23 HydrophobicContact CG1-CG 4.49Å; V19-W23 HydrophobicContact CG1-CH2 3.46Å; V19-W23 VanDerWaalsContact CG1-CH2 3.46Å; V19-W23 HydrophobicContact CG1-CZ2 3.23Å; V19-W23 HydrophobicContact CG1-CZ3 3.8Å; V19-W23 PolarHBondContact O-N 2.82Å; V19-E882 HydrophobicContact CG1-CB 3.85Å; V19-E882 HydrophobicContact CG1-CG 3.77Å; V19-E882 HydrophobicContact CG2-CB 4.16Å; V19-E882 HydrophobicContact CG2-CG 4.23Å; V19-H883 HydrophobicContact CG2-CB 4.01Å |
| 20 | Q | 97.4 | Very high | 96.7 | Very high | 45 Ų | 45 | 58.7 Ų | 58.7 | 21% | 0.21 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 177.2 | -71.3 | 165.2 | 12 | 0 | 0 | 111.6 | E16 F22 W23 E24 K188 H879 | E16-Q20 WeakPolarHBondContact O-CB 3.42Å; E16-Q20 WeakPolarHBondContact O-CG 3.2Å; E16-Q20 PolarHBondContact O-N 3.22Å; Q20-F22 VanDerWaalsContact C-N 3.3Å; Q20-F22 PolarHBondContact O-N 2.9Å; Q20-W23 HydrophobicContact CG-CE3 4.32Å; Q20-W23 HydrophobicContact CG-CZ3 4.37Å; Q20-W23 PolarHBondContact O-N 3.03Å; Q20-E24 WeakPolarHBondContact O-CB 3.22Å; Q20-E24 PolarHBondContact O-N 3.13Å; Q20-K188 PolarHBondContact NE2-O 3.19Å; Q20-H879 PolarHBondContact NE2-NE2 3.5Å |
| 21 | T | 97.4 | Very high | 96.7 | Very high | 91 Ų | 91 | 55.2 Ų | 55.2 | 56% | 0.558 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.4 | -40.8 | 174.2 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | G17 Q18 V19 S25 | G17-T21 WeakPolarHBondContact O-CB 3.33Å; G17-T21 PolarHBondContact O-N 3.24Å; G17-T21 PolarHBondContact O-OG1 2.78Å; Q18-T21 PolarHBondContact O-N 3.21Å; V19-T21 VanDerWaalsContact C-N 3.34Å; V19-T21 PolarHBondContact O-N 3.32Å; T21-S25 WeakPolarHBondContact O-CB 3.48Å; T21-S25 PolarHBondContact O-N 3.06Å; T21-S25 PolarHBondContact O-OG 3.07Å |
| 22 | F | 97.7 | Very high | 96.5 | Very high | 45 Ų | 45 | 54.8 Ų | 54.8 | 20% | 0.197 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.2 | -47 | 174.7 | 169.5 | -97.6 | 0 | 0 | 0 | 112.1 | Q18 V19 Q20 E24 S25 N26 E882 I886 | Q18-F22 PolarHBondContact O-N 3.38Å; V19-F22 WeakPolarHBondContact O-CB 3.35Å; V19-F22 PolarHBondContact O-N 3.44Å; V19-F22 VanDerWaalsContact O-N 3.16Å; Q20-F22 VanDerWaalsContact C-N 3.3Å; Q20-F22 PolarHBondContact O-N 2.9Å; F22-E24 PolarHBondContact O-N 2.95Å; F22-S25 PolarHBondContact O-N 2.87Å; F22-N26 WeakPolarHBondContact CD2-ND2 3.27Å; F22-N26 VanDerWaalsContact CE2-ND2 3.26Å; F22-N26 WeakPolarHBondContact CE2-ND2 3.43Å; F22-N26 WeakPolarHBondContact O-CB 3.26Å; F22-N26 PolarHBondContact O-N 3.49Å; F22-N26 PolarHBondContact O-ND2 3.4Å; F22-E882 HydrophobicContact CD1-CG 4.46Å; F22-I886 HydrophobicContact CE1-CD1 4.11Å; F22-I886 HydrophobicContact CE1-CG1 4.05Å; F22-I886 HydrophobicContact CE2-CD1 4.34Å; F22-I886 HydrophobicContact CZ-CD1 3.7Å; F22-I886 HydrophobicContact CZ-CG1 4.05Å |
| 23 | W | 97.6 | Very high | 96.2 | Very high | 10 Ų | 10 | 55 Ų | 55 | 4% | 0.038 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 178.3 | -70.2 | -25.4 | 0 | 0 | 0 | 112.8 | V19 Q20 K27 V28 F29 H879 E882 F896 | V19-W23 HydrophobicContact CG1-CD2 3.72Å; V19-W23 HydrophobicContact CG1-CE3 3.92Å; V19-W23 HydrophobicContact CG1-CG 4.49Å; V19-W23 HydrophobicContact CG1-CH2 3.46Å; V19-W23 VanDerWaalsContact CG1-CH2 3.46Å; V19-W23 HydrophobicContact CG1-CZ2 3.23Å; V19-W23 HydrophobicContact CG1-CZ3 3.8Å; V19-W23 PolarHBondContact O-N 2.82Å; Q20-W23 HydrophobicContact CG-CE3 4.32Å; Q20-W23 HydrophobicContact CG-CZ3 4.37Å; Q20-W23 PolarHBondContact O-N 3.03Å; W23-K27 WeakPolarHBondContact O-CA 3.46Å; W23-K27 PolarHBondContact O-N 3.15Å; W23-V28 HydrophobicContact CB-CB 4.37Å; W23-V28 HydrophobicContact CB-CG2 4.41Å; W23-V28 HydrophobicContact CG-CB 4.45Å; W23-V28 HydrophobicContact CG-CG2 4.49Å; W23-V28 PolarHBondContact O-N 3.15Å; W23-F29 HydrophobicContact CB-CE2 4.1Å; W23-F29 AromaticContact CD2-CE2 3.7Å; W23-F29 HydrophobicContact CD2-CE2 3.7Å; W23-F29 AromaticContact CD2-CZ 3.96Å; W23-F29 HydrophobicContact CD2-CZ 3.96Å; W23-F29 AromaticContact CE3-CE2 3.82Å; W23-F29 HydrophobicContact CE3-CE2 3.82Å; W23-F29 HydrophobicContact CE3-CZ 4.31Å; W23-F29 AromaticContact CG-CE2 3.85Å; W23-F29 HydrophobicContact CG-CE2 3.85Å; W23-F29 HydrophobicContact CG-CZ 4.22Å; W23-H879 AromaticContact CH2-CD2 3.73Å; W23-H879 AromaticContact CH2-NE2 3.94Å; W23-H879 AromaticContact CZ3-CD2 3.71Å; W23-H879 AromaticContact CZ3-NE2 3.56Å; W23-E882 HydrophobicContact CZ2-CB 3.97Å; W23-E882 HydrophobicContact CZ2-CG 4.1Å; W23-E882 PolarHBondContact NE1-OE2 3.34Å; W23-F896 AromaticContact CZ2-CE2 3.82Å; W23-F896 HydrophobicContact CZ2-CE2 3.82Å |
| 24 | E | 95.3 | Very high | 95.8 | Very high | 114 Ų | 114 | 51.5 Ų | 51.5 | 53% | 0.533 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.5 | -49.3 | 177.3 | -173.4 | 70.9 | -155.9 | 0 | 0 | 110.9 | Q20 F22 N26 K27 | Q20-E24 WeakPolarHBondContact O-CB 3.22Å; Q20-E24 PolarHBondContact O-N 3.13Å; F22-E24 PolarHBondContact O-N 2.95Å; E24-N26 VanDerWaalsContact C-N 3.26Å; E24-N26 PolarHBondContact O-N 3.16Å; E24-K27 PolarHBondContact O-N 3.4Å; E24-K27 VanDerWaalsContact O-N 3.13Å |
| 25 | S | 97 | Very high | 94.9 | Very high | 89 Ų | 89 | 51.8 Ų | 51.8 | 62% | 0.622 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.5 | -34.1 | -178.4 | -55.5 | 0 | 0 | 0 | 0 | 112.8 | T21 F22 | T21-S25 WeakPolarHBondContact O-CB 3.48Å; T21-S25 PolarHBondContact O-N 3.06Å; T21-S25 PolarHBondContact O-OG 3.07Å; F22-S25 PolarHBondContact O-N 2.87Å |
| 26 | N | 96.8 | Very high | 94 | Very high | 93 Ų | 93 | 58.7 Ų | 58.7 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 2.6 | -179.9 | -67.4 | -85.9 | 0 | 0 | 0 | 113.3 | F22 E24 V28 | F22-N26 WeakPolarHBondContact CD2-ND2 3.27Å; F22-N26 VanDerWaalsContact CE2-ND2 3.26Å; F22-N26 WeakPolarHBondContact CE2-ND2 3.43Å; F22-N26 WeakPolarHBondContact O-CB 3.26Å; F22-N26 PolarHBondContact O-N 3.49Å; F22-N26 PolarHBondContact O-ND2 3.4Å; E24-N26 VanDerWaalsContact C-N 3.26Å; E24-N26 PolarHBondContact O-N 3.16Å; N26-V28 HydrophobicContact CB-CG2 3.87Å; N26-V28 PolarHBondContact O-N 3.38Å |
| 27 | K | 96.1 | Very high | 93 | Very high | 118 Ų | 118 | 63.7 Ų | 63.7 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 39 | 177.6 | -58.4 | 178.5 | 156.9 | -136.9 | 0 | 113.5 | W23 E24 F29 E30 | W23-K27 WeakPolarHBondContact O-CA 3.46Å; W23-K27 PolarHBondContact O-N 3.15Å; E24-K27 PolarHBondContact O-N 3.4Å; E24-K27 VanDerWaalsContact O-N 3.13Å; K27-F29 PolarHBondContact O-N 3.01Å; K27-E30 HydrophobicContact CB-CB 4.11Å; K27-E30 HydrophobicContact CB-CG 3.94Å; K27-E30 WeakPolarHBondContact CD-OE2 3.34Å; K27-E30 WeakPolarHBondContact CE-OE1 3.33Å; K27-E30 HydrophobicContact CG-CG 4.43Å; K27-E30 WeakPolarHBondContact CG-OE1 3.33Å; K27-E30 IonicContact NZ-OE1 2.78Å; K27-E30 PolarHBondContact NZ-OE1 2.92Å; K27-E30 IonicContact NZ-OE2 2.99Å; K27-E30 PolarHBondContact NZ-OE2 3.19Å; K27-E30 PolarHBondContact O-N 3.2Å |
| 28 | V | 96.6 | Very high | 92.2 | Very high | 15 Ų | 15 | 63.5 Ų | 63.5 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30.7 | -166.5 | 174.2 | 0 | 0 | 0 | 0 | 113.3 | W23 N26 R76 F896 | W23-V28 HydrophobicContact CB-CB 4.37Å; W23-V28 HydrophobicContact CB-CG2 4.41Å; W23-V28 HydrophobicContact CG-CB 4.45Å; W23-V28 HydrophobicContact CG-CG2 4.49Å; W23-V28 PolarHBondContact O-N 3.15Å; N26-V28 HydrophobicContact CB-CG2 3.87Å; N26-V28 PolarHBondContact O-N 3.38Å; V28-R76 PolarHBondContact O-NH1 2.81Å; V28-R76 PolarHBondContact O-NH2 2.77Å; V28-R76 VanDerWaalsContact O-NH2 3.1Å; V28-F896 HydrophobicContact CG1-CB 4.34Å |
| 29 | F | 96.4 | Very high | 91.4 | Very high | 23 Ų | 23 | 68.4 Ų | 68.4 | 10% | 0.101 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 5.2 | -178 | -50.4 | -56.4 | 0 | 0 | 0 | 114.1 | W23 K27 K192 D194 F896 | W23-F29 HydrophobicContact CB-CE2 4.1Å; W23-F29 AromaticContact CD2-CE2 3.7Å; W23-F29 HydrophobicContact CD2-CE2 3.7Å; W23-F29 AromaticContact CD2-CZ 3.96Å; W23-F29 HydrophobicContact CD2-CZ 3.96Å; W23-F29 AromaticContact CE3-CE2 3.82Å; W23-F29 HydrophobicContact CE3-CE2 3.82Å; W23-F29 HydrophobicContact CE3-CZ 4.31Å; W23-F29 AromaticContact CG-CE2 3.85Å; W23-F29 HydrophobicContact CG-CE2 3.85Å; W23-F29 HydrophobicContact CG-CZ 4.22Å; K27-F29 PolarHBondContact O-N 3.01Å; F29-K192 HydrophobicContact CD1-CB 3.75Å; F29-K192 HydrophobicContact CD1-CG 4.19Å; F29-K192 HydrophobicContact CD2-CB 4.43Å; F29-K192 HydrophobicContact CE1-CB 3.81Å; F29-K192 HydrophobicContact CE1-CD 4.13Å; F29-K192 HydrophobicContact CE1-CG 3.7Å; F29-K192 HydrophobicContact CE2-CB 4.47Å; F29-K192 HydrophobicContact CE2-CG 4.34Å; F29-K192 HydrophobicContact CG-CB 4.09Å; F29-K192 HydrophobicContact CZ-CB 4.19Å; F29-K192 HydrophobicContact CZ-CD 4.49Å; F29-K192 HydrophobicContact CZ-CG 3.79Å; F29-D194 WeakPolarHBondContact O-CB 3.48Å; F29-F896 AromaticContact CE1-CD2 3.88Å; F29-F896 HydrophobicContact CE1-CD2 3.88Å; F29-F896 HydrophobicContact CE1-CE2 4.37Å; F29-F896 HydrophobicContact CE1-CG 4.23Å; F29-F896 AromaticContact CZ-CD2 3.93Å; F29-F896 HydrophobicContact CZ-CD2 3.93Å; F29-F896 HydrophobicContact CZ-CE2 4.11Å |
| 30 | E | 96 | Very high | 90.8 | Very high | 55 Ų | 55 | 73.5 Ų | 73.5 | 26% | 0.257 | 38% | 0.384 | S | S | . | . | trans | -75 | 129.4 | 167.7 | -69 | -170.7 | -161.3 | 0 | 0 | 109.3 | K27 R196 | K27-E30 HydrophobicContact CB-CB 4.11Å; K27-E30 HydrophobicContact CB-CG 3.94Å; K27-E30 WeakPolarHBondContact CD-OE2 3.34Å; K27-E30 WeakPolarHBondContact CE-OE1 3.33Å; K27-E30 HydrophobicContact CG-CG 4.43Å; K27-E30 WeakPolarHBondContact CG-OE1 3.33Å; K27-E30 IonicContact NZ-OE1 2.78Å; K27-E30 PolarHBondContact NZ-OE1 2.92Å; K27-E30 IonicContact NZ-OE2 2.99Å; K27-E30 PolarHBondContact NZ-OE2 3.19Å; K27-E30 PolarHBondContact O-N 3.2Å; E30-R196 VanDerWaalsContact CD-NE 3.34Å; E30-R196 VanDerWaalsContact OE2-CD 3.31Å; E30-R196 WeakPolarHBondContact OE2-CD 3.35Å; E30-R196 IonicContact OE2-CZ 3.3Å; E30-R196 VanDerWaalsContact OE2-CZ 3.26Å; E30-R196 IonicContact OE2-NE 2.71Å; E30-R196 PolarHBondContact OE2-NE 2.89Å; E30-R196 IonicContact OE2-NH1 2.78Å; E30-R196 PolarHBondContact OE2-NH1 3.04Å | ||
| 31 | A | 93.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 74.4 Ų | 74.4 | 3% | 0.025 | 39% | 0.389 | C | S | . | . | trans | -133.5 | 125 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L81 D194 R196 R197 W671 | A31-L81 HydrophobicContact CB-CD1 4.47Å; A31-D194 PolarHBondContact N-OD2 2.94Å; A31-R196 PolarHBondContact O-NH2 3.46Å; A31-R197 PolarHBondContact O-NH2 2.79Å; A31-W671 HydrophobicContact CB-CH2 3.78Å; A31-W671 HydrophobicContact CB-CZ2 3.75Å | ||
| 32 | D | 91.5 | Very high | 90.3 | Very high | 70 Ų | 70 | 76.1 Ų | 76.1 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | trans | -119 | 157.4 | 175 | -62.7 | -23.6 | 0 | 0 | 0 | 109.1 | P34 R196 H607 | D32-P34 WeakPolarHBondContact O-CD 3.3Å; D32-R196 IonicContact OD1-CZ 2.79Å; D32-R196 IonicContact OD1-NH1 3.25Å; D32-R196 PolarHBondContact OD1-NH1 3.33Å; D32-R196 IonicContact OD1-NH2 2.7Å; D32-R196 PolarHBondContact OD1-NH2 3.05Å; D32-R196 IonicContact OD2-NH1 3.34Å; D32-R196 PolarHBondContact OD2-NH1 3.24Å; D32-H607 IonicContact OD1-CD2 3.19Å; D32-H607 PolarHBondContact OD1-CD2 3.06Å; D32-H607 IonicContact OD1-NE2 2.78Å; D32-H607 PolarHBondContact OD1-NE2 3.23Å | ||
| 33 | V | 91.3 | Very high | 90.2 | Very high | 4 Ų | 4 | 75.4 Ų | 75.4 | 2% | 0.024 | 39% | 0.388 | C | S | . | . | trans | -59.9 | 126.3 | 172.4 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | R663 K666 E667 F670 | V33-R663 PolarHBondContact O-NH1 2.88Å; V33-R663 PolarHBondContact O-NH2 3.4Å; V33-K666 HydrophobicContact CG1-CD 4.33Å; V33-K666 HydrophobicContact CG1-CG 4.28Å; V33-E667 WeakPolarHBondContact CB-OE2 3.35Å; V33-E667 HydrophobicContact CG2-CB 4.37Å; V33-E667 HydrophobicContact CG2-CG 4.27Å; V33-E667 WeakPolarHBondContact CG2-OE2 3.2Å; V33-E667 PolarHBondContact N-OE1 3.36Å; V33-E667 PolarHBondContact N-OE2 3.22Å; V33-F670 HydrophobicContact CB-CB 4.46Å; V33-F670 HydrophobicContact CB-CD1 4.46Å; V33-F670 HydrophobicContact CB-CG 4.36Å; V33-F670 HydrophobicContact CG1-CB 4.12Å; V33-F670 HydrophobicContact CG1-CD2 4.13Å; V33-F670 HydrophobicContact CG1-CG 4.01Å; V33-F670 HydrophobicContact CG2-CB 3.42Å; V33-F670 VanDerWaalsContact CG2-CB 3.42Å; V33-F670 HydrophobicContact CG2-CD1 3.52Å; V33-F670 HydrophobicContact CG2-CD2 4.44Å; V33-F670 HydrophobicContact CG2-CE1 4.38Å; V33-F670 HydrophobicContact CG2-CG 3.54Å | ||
| 34 | P | 86.1 | Confident | 90.2 | Very high | 26 Ų | 26 | 75.8 Ų | 75.8 | 17% | 0.169 | 39% | 0.39 | C | S | . | . | trans | -54.1 | 137.5 | 175.2 | -27 | 35.6 | 0 | 0 | 0 | 112.1 | D32 E36 I41 L81 F670 | D32-P34 WeakPolarHBondContact O-CD 3.3Å; P34-E36 VanDerWaalsContact C-N 3.33Å; P34-I41 HydrophobicContact CB-CD1 3.66Å; P34-I41 HydrophobicContact CG-CD1 3.48Å; P34-I41 VanDerWaalsContact CG-CD1 3.48Å; P34-L81 HydrophobicContact CG-CD2 3.95Å; P34-F670 HydrophobicContact CG-CZ 4.35Å | ||
| 35 | L | 77.4 | Confident | 90.4 | Very high | 147 Ų | 147 | 70.4 Ų | 70.4 | 77% | 0.77 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -68.3 | -36.9 | 178.9 | -64.4 | 177 | 0 | 0 | 0 | 111.4 | ||
| 36 | E | 78.1 | Confident | 90.5 | Very high | 152 Ų | 152 | 66.1 Ų | 66.1 | 71% | 0.71 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -118.7 | 153.5 | -178.8 | -63 | 179.1 | -179.2 | 0 | 0 | 111 | P34 S38 | P34-E36 VanDerWaalsContact C-N 3.33Å; E36-S38 PolarHBondContact O-N 2.95Å |
| 37 | N | 77.1 | Confident | 90.5 | Very high | 117 Ų | 117 | 61.7 Ų | 61.7 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | trans | 53.5 | 25 | 174.5 | -56.9 | -42.8 | 0 | 0 | 0 | 115.1 | E39 T40 I41 | N37-E39 PolarHBondContact O-N 2.79Å; N37-T40 PolarHBondContact O-N 2.65Å; N37-T40 PolarHBondContact O-OG1 3.07Å; N37-T40 VanDerWaalsContact O-OG1 3.06Å; N37-I41 PolarHBondContact O-N 2.87Å | ||
| 38 | S | 80.7 | Confident | 90.5 | Very high | 25 Ų | 25 | 56.7 Ų | 56.7 | 18% | 0.175 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -20.2 | 179.3 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | E36 F670 | E36-S38 PolarHBondContact O-N 2.95Å; S38-F670 WeakPolarHBondContact O-CE2 3.27Å |
| 39 | E | 80.4 | Confident | 90.4 | Very high | 191 Ų | 191 | 56.9 Ų | 56.9 | 89% | 0.893 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -22.2 | 177.9 | -63.8 | 174.5 | -170.8 | 0 | 0 | 113.5 | N37 | N37-E39 PolarHBondContact O-N 2.79Š|
| 40 | T | 85.8 | Confident | 90.2 | Very high | 110 Ų | 110 | 56.3 Ų | 56.3 | 68% | 0.675 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -15.6 | -178.9 | 61 | 0 | 0 | 0 | 0 | 113.2 | N37 Q42 | N37-T40 PolarHBondContact O-N 2.65Å; N37-T40 PolarHBondContact O-OG1 3.07Å; N37-T40 VanDerWaalsContact O-OG1 3.06Å; T40-Q42 PolarHBondContact O-N 2.9Å |
| 41 | I | 90.3 | Very high | 90.1 | Very high | 64 Ų | 64 | 54 Ų | 54 | 33% | 0.328 | 28% | 0.277 | S | S | . | . | trans | -80.4 | 120.7 | -178.7 | -66.1 | 168.7 | 0 | 0 | 0 | 109.6 | P34 N37 L81 F670 | P34-I41 HydrophobicContact CB-CD1 3.66Å; P34-I41 HydrophobicContact CG-CD1 3.48Å; P34-I41 VanDerWaalsContact CG-CD1 3.48Å; N37-I41 PolarHBondContact O-N 2.87Å; I41-L81 HydrophobicContact CG2-CB 3.96Å; I41-F670 HydrophobicContact CG2-CZ 4.19Å | ||
| 42 | Q | 94.2 | Very high | 90.1 | Very high | 127 Ų | 127 | 56 Ų | 56 | 59% | 0.593 | 29% | 0.285 | S | S | * | . | trans | -75 | 140.1 | 172.3 | -64.8 | -174 | -0.5 | 0 | 0 | 110.4 | T40 K80 L81 | T40-Q42 PolarHBondContact O-N 2.9Å; Q42-K80 HydrophobicContact CB-CD 4.38Å; Q42-K80 HydrophobicContact CB-CG 3.93Å; Q42-K80 WeakPolarHBondContact O-CA 3.25Å; Q42-L81 PolarHBondContact O-N 3.22Å | ||
| 43 | K | 95.8 | Very high | 90.2 | Very high | 30 Ų | 30 | 52.7 Ų | 52.7 | 13% | 0.13 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 160.6 | 178.7 | 65.4 | 87.7 | -178.9 | 173.9 | 0 | 112.3 | L81 F670 W671 P673 D675 | K43-L81 CarbonylContact C-O 3.59Å; K43-L81 WeakPolarHBondContact CA-O 3.28Å; K43-F670 HydrophobicContact CB-CE1 3.86Å; K43-F670 HydrophobicContact CB-CZ 4.09Å; K43-F670 WeakPolarHBondContact CE-O 3.44Å; K43-F670 HydrophobicContact CG-CE1 4.4Å; K43-F670 WeakPolarHBondContact CG-O 3.34Å; K43-W671 HydrophobicContact CB-CE3 4.11Å; K43-W671 HydrophobicContact CB-CZ3 3.95Å; K43-W671 HydrophobicContact CD-CE3 4.34Å; K43-W671 WeakPolarHBondContact CE-O 3.28Å; K43-W671 PolarHBondContact NZ-O 3.45Å; K43-P673 PolarHBondContact NZ-O 2.52Å; K43-D675 WeakPolarHBondContact CD-OD2 3.22Å; K43-D675 WeakPolarHBondContact CE-OD2 3.25Å; K43-D675 VanDerWaalsContact NZ-CG 3.34Å; K43-D675 IonicContact NZ-OD1 3.03Å; K43-D675 PolarHBondContact NZ-OD1 3.14Å; K43-D675 IonicContact NZ-OD2 3.44Å; K43-D675 PolarHBondContact NZ-OD2 3.4Å |
| 44 | Y | 97.9 | Very high | 90 | Very high | 19 Ų | 19 | 55.5 Ų | 55.5 | 8% | 0.075 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 106.8 | 172.3 | -164.3 | -108.1 | 0 | 0 | 0 | 110.9 | V46 E75 L81 T82 L83 D675 L676 | Y44-V46 HydrophobicContact CD1-CG2 3.32Å; Y44-V46 HydrophobicContact CE1-CG2 3.15Å; Y44-V46 HydrophobicContact CG-CG2 4.44Å; Y44-E75 HydrophobicContact CD1-CB 3.79Å; Y44-E75 HydrophobicContact CD1-CG 3.63Å; Y44-E75 HydrophobicContact CD2-CG 4Å; Y44-E75 HydrophobicContact CE1-CB 4.28Å; Y44-E75 HydrophobicContact CE1-CG 3.65Å; Y44-E75 HydrophobicContact CE2-CG 4.01Å; Y44-E75 HydrophobicContact CG-CB 3.92Å; Y44-E75 HydrophobicContact CG-CG 3.8Å; Y44-L81 PolarHBondContact N-O 2.7Å; Y44-T82 CarbonylContact O-C 3.58Å; Y44-T82 VanDerWaalsContact O-CA 3.29Å; Y44-T82 WeakPolarHBondContact O-CA 3.41Å; Y44-L83 PolarHBondContact O-N 3.33Å; Y44-D675 WeakPolarHBondContact CA-OD2 3.42Å; Y44-D675 HydrophobicContact CD2-CB 3.69Å; Y44-D675 HydrophobicContact CE2-CB 3.82Å; Y44-D675 HydrophobicContact CG-CB 4.37Å; Y44-L676 HydrophobicContact CE1-CB 4.39Å; Y44-L676 WeakPolarHBondContact OH-CB 3.36Å; Y44-L676 WeakPolarHBondContact OH-CD2 3.4Å |
| 45 | F | 98.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 111.1 | -177.2 | 179 | -154 | 0 | 0 | 0 | 110.9 | T47 L83 P85 M600 Y603 T604 W671 Y672 V674 D675 L676 | F45-T47 HydrophobicContact CD2-CG2 4.21Å; F45-T47 HydrophobicContact CE1-CG2 4.4Å; F45-T47 HydrophobicContact CE2-CG2 3.5Å; F45-T47 HydrophobicContact CZ-CG2 3.63Å; F45-L83 WeakPolarHBondContact CA-O 3.16Å; F45-L83 HydrophobicContact CD2-CB 4.23Å; F45-L83 HydrophobicContact CD2-CD2 3.98Å; F45-L83 HydrophobicContact CD2-CG 3.91Å; F45-L83 HydrophobicContact CE2-CD2 4.14Å; F45-L83 HydrophobicContact CE2-CG 4.23Å; F45-P85 HydrophobicContact CE2-CG 3.61Å; F45-P85 HydrophobicContact CZ-CG 4.31Å; F45-M600 HydrophobicContact CE1-CB 4.13Å; F45-M600 HydrophobicContact CZ-CB 4.05Å; F45-M600 WeakPolarHBondContact CZ-O 3.1Å; F45-Y603 HydrophobicContact CZ-CD2 4.24Å; F45-T604 HydrophobicContact CE1-CG2 4.08Å; F45-W671 WeakPolarHBondContact CD1-O 3.45Å; F45-Y672 HydrophobicContact CD1-CD2 4.38Å; F45-Y672 HydrophobicContact CE1-CD2 4.01Å; F45-Y672 HydrophobicContact CE1-CE2 4.08Å; F45-V674 HydrophobicContact CD1-CG2 4.07Å; F45-V674 HydrophobicContact CE1-CG2 3.81Å; F45-V674 HydrophobicContact CZ-CG2 4.47Å; F45-D675 PolarHBondContact N-OD2 3.24Å; F45-D675 PolarHBondContact O-N 2.95Å; F45-L676 PolarHBondContact O-N 3.36Å |
| 46 | V | 98.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 143.1 | -176.8 | -172.2 | 0 | 0 | 0 | 0 | 110.4 | Y44 C68 V72 L83 P85 L676 | Y44-V46 HydrophobicContact CD1-CG2 3.32Å; Y44-V46 HydrophobicContact CE1-CG2 3.15Å; Y44-V46 HydrophobicContact CG-CG2 4.44Å; V46-C68 HydrophobicContact CG1-CB 3.62Å; V46-V72 HydrophobicContact CB-CG2 4.1Å; V46-V72 HydrophobicContact CG2-CG2 3.74Å; V46-L83 PolarHBondContact N-O 2.96Å; V46-P85 WeakPolarHBondContact O-CD 3.11Å; V46-L676 CarbonylContact C-O 3.48Å; V46-L676 WeakPolarHBondContact CA-O 3.42Å; V46-L676 HydrophobicContact CG1-CB 4.25Å; V46-L676 HydrophobicContact CG1-CD2 4.15Å; V46-L676 HydrophobicContact CG1-CG 4.3Å; V46-L676 HydrophobicContact CG2-CB 4.29Å |
| 47 | T | 97.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 152.4 | 174.5 | 69.5 | 0 | 0 | 0 | 0 | 113.1 | F45 M600 Y603 V674 L676 R677 V678 | F45-T47 HydrophobicContact CD2-CG2 4.21Å; F45-T47 HydrophobicContact CE1-CG2 4.4Å; F45-T47 HydrophobicContact CE2-CG2 3.5Å; F45-T47 HydrophobicContact CZ-CG2 3.63Å; T47-M600 HydrophobicContact CG2-CB 4.19Å; T47-M600 HydrophobicContact CG2-CG 3.73Å; T47-Y603 HydrophobicContact CG2-CD2 4.34Å; T47-Y603 HydrophobicContact CG2-CE2 4.47Å; T47-V674 HydrophobicContact CG2-CG1 4.16Å; T47-V674 HydrophobicContact CG2-CG2 4.29Å; T47-L676 PolarHBondContact N-O 3.12Å; T47-R677 WeakPolarHBondContact OG1-CD 3.44Å; T47-R677 PolarHBondContact OG1-NH1 2.89Å; T47-V678 PolarHBondContact O-N 3.4Å |
| 48 | F | 95.6 | Very high | 92.4 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 5% | 0.053 | 21% | 0.208 | C | C | . | . | trans | -124 | 144.7 | 175.4 | 173.1 | -105.1 | 0 | 0 | 0 | 108.5 | Y50 P51 L65 F86 Y599 R677 | F48-Y50 PolarHBondContact O-N 2.76Å; F48-P51 HydrophobicContact CE1-CG 4.31Å; F48-L65 HydrophobicContact CD1-CB 4.17Å; F48-L65 HydrophobicContact CD2-CB 3.83Å; F48-L65 HydrophobicContact CE1-CB 4.29Å; F48-L65 HydrophobicContact CE1-CD2 4.37Å; F48-L65 HydrophobicContact CE2-CB 4.02Å; F48-L65 HydrophobicContact CG-CB 3.95Å; F48-L65 HydrophobicContact CZ-CB 4.24Å; F48-F86 AromaticContact CD1-CE2 3.57Å; F48-F86 HydrophobicContact CD1-CE2 3.57Å; F48-F86 AromaticContact CD1-CZ 3.64Å; F48-F86 HydrophobicContact CD1-CZ 3.64Å; F48-F86 HydrophobicContact CE1-CE2 4.2Å; F48-F86 AromaticContact CE1-CZ 3.88Å; F48-F86 HydrophobicContact CE1-CZ 3.88Å; F48-F86 HydrophobicContact CG-CE2 4.36Å; F48-Y599 PolarHBondContact O-OH 3.4Å; F48-R677 PolarHBondContact O-NH1 2.9Å | ||
| 49 | P | 94.1 | Very high | 93.1 | Very high | 20 Ų | 20 | 41 Ų | 41 | 13% | 0.13 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -56.7 | 124.9 | 170.7 | 24 | -35.6 | 0 | 0 | 0 | 109.8 | Y599 V678 L683 | P49-Y599 WeakPolarHBondContact CA-OH 3.43Å; P49-V678 WeakPolarHBondContact CD-O 3.26Å; P49-L683 HydrophobicContact CB-CD1 4.37Å; P49-L683 HydrophobicContact CG-CD1 4.37Å |
| 50 | Y | 93.4 | Very high | 93.7 | Very high | 11 Ų | 11 | 32.6 Ų | 32.6 | 4% | 0.043 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -60 | 129.6 | 179.2 | 38 | -144.2 | 0 | 0 | 0 | 110.5 | F48 G87 H89 T201 Y208 S596 Y599 | F48-Y50 PolarHBondContact O-N 2.76Å; Y50-G87 WeakPolarHBondContact CB-O 3.17Å; Y50-H89 HydrophobicContact CD2-CB 3.38Å; Y50-H89 AromaticContact CD2-CG 3.55Å; Y50-H89 AromaticContact CD2-ND1 3.92Å; Y50-H89 HydrophobicContact CE2-CB 3.81Å; Y50-H89 AromaticContact CE2-CD2 3.57Å; Y50-H89 AromaticContact CE2-CG 3.45Å; Y50-H89 VanDerWaalsContact CE2-CG 3.45Å; Y50-H89 AromaticContact CE2-ND1 3.74Å; Y50-H89 AromaticContact CE2-NE2 3.97Å; Y50-H89 HydrophobicContact CG-CB 3.9Å; Y50-T201 HydrophobicContact CD1-CG2 4.11Å; Y50-T201 HydrophobicContact CE1-CG2 3.52Å; Y50-T201 HydrophobicContact CE2-CG2 4.41Å; Y50-Y208 PolarHBondContact OH-OH 3.39Å; Y50-S596 WeakPolarHBondContact OH-CA 3.37Å; Y50-S596 WeakPolarHBondContact OH-CB 3.38Å; Y50-Y599 AromaticContact CD1-CD2 3.92Å; Y50-Y599 HydrophobicContact CD1-CD2 3.92Å; Y50-Y599 AromaticContact CD1-CE2 3.61Å; Y50-Y599 HydrophobicContact CD1-CE2 3.61Å; Y50-Y599 HydrophobicContact CD1-CG 4.47Å; Y50-Y599 AromaticContact CD1-CZ 3.93Å; Y50-Y599 HydrophobicContact CE1-CD1 4.04Å; Y50-Y599 AromaticContact CE1-CD2 3.73Å; Y50-Y599 HydrophobicContact CE1-CD2 3.73Å; Y50-Y599 HydrophobicContact CE1-CE1 4.11Å; Y50-Y599 AromaticContact CE1-CE2 3.78Å; Y50-Y599 HydrophobicContact CE1-CE2 3.78Å; Y50-Y599 AromaticContact CE1-CG 3.83Å; Y50-Y599 HydrophobicContact CE1-CG 3.83Å; Y50-Y599 AromaticContact CE1-CZ 3.96Å; Y50-Y599 HydrophobicContact CG-CE2 4.33Å |
| 51 | P | 93.7 | Very high | 94.1 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.032 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 150.3 | -177.1 | 19.1 | -19.9 | 0 | 0 | 0 | 110.8 | F48 M53 L57 F86 H89 | F48-P51 HydrophobicContact CE1-CG 4.31Å; P51-M53 VanDerWaalsContact C-CE 3.47Å; P51-M53 HydrophobicContact CB-CE 3.66Å; P51-M53 HydrophobicContact CG-CE 3.52Å; P51-M53 WeakPolarHBondContact O-CE 3.15Å; P51-L57 HydrophobicContact CB-CD2 3.5Å; P51-L57 VanDerWaalsContact CB-CD2 3.5Å; P51-L57 HydrophobicContact CG-CD2 3.58Å; P51-F86 VanDerWaalsContact CD-CE1 3.47Å; P51-F86 HydrophobicContact CG-CE1 3.73Å; P51-F86 HydrophobicContact CG-CZ 3.91Å; P51-H89 WeakPolarHBondContact O-CA 3.33Å; P51-H89 VanDerWaalsContact O-CB 3.23Å; P51-H89 WeakPolarHBondContact O-CB 3.25Å; P51-H89 PolarHBondContact O-N 3.01Å |
| 52 | Y | 93.2 | Very high | 94.4 | Very high | 46 Ų | 46 | 26.8 Ų | 26.8 | 18% | 0.18 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -77.3 | 130.5 | 178 | -162.4 | -103.4 | 0 | 0 | 0 | 111.7 | N54 H89 C90 T91 G92 P94 I95 | Y52-N54 VanDerWaalsContact C-N 3.35Å; Y52-N54 HydrophobicContact CD1-CB 3.96Å; Y52-N54 HydrophobicContact CE1-CB 4.01Å; Y52-N54 PolarHBondContact O-N 2.9Å; Y52-N54 VanDerWaalsContact O-N 3.16Å; Y52-H89 CarbonylContact C-O 3.38Å; Y52-H89 WeakPolarHBondContact CA-O 3.32Å; Y52-H89 HydrophobicContact CD2-CB 4.26Å; Y52-H89 AromaticContact CD2-CG 3.89Å; Y52-H89 AromaticContact CD2-ND1 3.66Å; Y52-C90 PolarHBondContact OH-O 2.93Å; Y52-T91 VanDerWaalsContact CE2-O 3.22Å; Y52-T91 WeakPolarHBondContact CE2-O 3.42Å; Y52-G92 WeakPolarHBondContact OH-CA 3.36Å; Y52-P94 HydrophobicContact CE1-CB 3.8Å; Y52-P94 HydrophobicContact CE1-CG 3.89Å; Y52-P94 WeakPolarHBondContact OH-CD 3.12Å; Y52-I95 HydrophobicContact CE1-CD1 4.11Å; Y52-I95 HydrophobicContact CE1-CG1 3.84Å |
| 53 | M | 94.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -93.2 | 47.9 | -164 | -65.1 | -67.8 | 112.1 | 0 | 0 | 114.1 | P51 L57 L88 H89 F178 P179 A182 | P51-M53 VanDerWaalsContact C-CE 3.47Å; P51-M53 HydrophobicContact CB-CE 3.66Å; P51-M53 HydrophobicContact CG-CE 3.52Å; P51-M53 WeakPolarHBondContact O-CE 3.15Å; M53-L57 HydrophobicContact CE-CD2 4.33Å; M53-L88 HydrophobicContact CE-CB 4.44Å; M53-L88 HydrophobicContact CE-CD2 3.73Å; M53-L88 HydrophobicContact CG-CB 3.82Å; M53-L88 HydrophobicContact SD-CB 3.93Å; M53-L88 HydrophobicContact SD-CD2 3.69Å; M53-L88 HydrophobicContact SD-CG 4.29Å; M53-H89 WeakPolarHBondContact CB-O 3.39Å; M53-H89 WeakPolarHBondContact CG-O 3.45Å; M53-H89 PolarHBondContact N-O 3.24Å; M53-F178 HydrophobicContact CB-CB 4.42Å; M53-F178 WeakPolarHBondContact O-CB 3.49Å; M53-P179 HydrophobicContact CB-CG 3.92Å; M53-P179 HydrophobicContact CG-CG 3.82Å; M53-P179 HydrophobicContact SD-CB 4.38Å; M53-P179 HydrophobicContact SD-CG 4.06Å; M53-A182 HydrophobicContact CE-CB 4.19Å; M53-A182 HydrophobicContact SD-CB 3.92Å |
| 54 | N | 86.9 | Confident | 94.6 | Very high | 64 Ų | 64 | 19.9 Ų | 19.9 | 34% | 0.342 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -105.2 | 8.2 | 175.6 | 71.7 | -28 | 0 | 0 | 0 | 113.8 | Y52 I95 W174 | Y52-N54 VanDerWaalsContact C-N 3.35Å; Y52-N54 HydrophobicContact CD1-CB 3.96Å; Y52-N54 HydrophobicContact CE1-CB 4.01Å; Y52-N54 PolarHBondContact O-N 2.9Å; Y52-N54 VanDerWaalsContact O-N 3.16Å; N54-I95 HydrophobicContact CB-CG1 4.11Å; N54-W174 HydrophobicContact CB-CE3 4.47Å; N54-W174 HydrophobicContact CB-CZ3 4.3Å |
| 55 | G | 89.2 | Confident | 94.5 | Very high | 14 Ų | 14 | 19 Ų | 19 | 14% | 0.144 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -175.6 | 175.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F178 | G55-F178 VanDerWaalsContact C-CD1 3.49Å; G55-F178 VanDerWaalsContact CA-CE1 3.47Å |
| 56 | R | 91.8 | Very high | 94.5 | Very high | 88 Ų | 88 | 19 Ų | 19 | 33% | 0.332 | 10% | 0.096 | S | C | . | . | trans | -74.1 | 150.7 | 172.5 | -59.2 | -169.6 | 85.1 | 175.2 | 19.5 | 111.3 | L181 D185 T732 | R56-L181 HydrophobicContact CG-CD1 4.25Å; R56-D185 IonicContact CZ-OD1 3.69Å; R56-D185 IonicContact CZ-OD2 3.37Å; R56-D185 IonicContact NE-OD1 2.7Å; R56-D185 IonicContact NE-OD2 3.45Å; R56-D185 PolarHBondContact NE-OD2 2.93Å; R56-D185 VanDerWaalsContact NH2-CG 3.34Å; R56-D185 IonicContact NH2-OD1 3.05Å; R56-D185 PolarHBondContact NH2-OD1 2.89Å; R56-D185 IonicContact NH2-OD2 2.74Å; R56-D185 PolarHBondContact NH2-OD2 3.33Å; R56-T732 HydrophobicContact CB-CG2 4.32Å | ||
| 57 | L | 94.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.01 | 10% | 0.096 | C | C | . | . | trans | -63.8 | 149.3 | 174.2 | -58.7 | -178.4 | 0 | 0 | 0 | 110.7 | P51 M53 H61 A182 L186 T732 L733 | P51-L57 HydrophobicContact CB-CD2 3.5Å; P51-L57 VanDerWaalsContact CB-CD2 3.5Å; P51-L57 HydrophobicContact CG-CD2 3.58Å; M53-L57 HydrophobicContact CE-CD2 4.33Å; L57-H61 HydrophobicContact CD2-CB 4.35Å; L57-A182 HydrophobicContact CD1-CB 4.19Å; L57-A182 HydrophobicContact CG-CB 4.17Å; L57-L186 HydrophobicContact CD1-CD1 3.76Å; L57-L186 HydrophobicContact CD1-CD2 4.01Å; L57-L186 HydrophobicContact CD1-CG 3.76Å; L57-T732 CarbonylContact O-C 3.56Å; L57-T732 VanDerWaalsContact O-CA 3.31Å; L57-T732 WeakPolarHBondContact O-CA 3.36Å; L57-T732 WeakPolarHBondContact O-CB 3.46Å; L57-L733 HydrophobicContact CB-CB 4.23Å; L57-L733 HydrophobicContact CD1-CD2 4.49Å; L57-L733 PolarHBondContact O-N 3.45Å | ||
| 58 | H | 93.5 | Very high | 94.4 | Very high | 51 Ų | 51 | 19 Ų | 19 | 24% | 0.236 | 10% | 0.096 | C | C | . | . | B | Isolated β-bridge | trans | -128.7 | 167.6 | 179.1 | 61.5 | 56.4 | 0 | 0 | 0 | 110.8 | G60 H61 T62 F730 L731 | H58-G60 WeakPolarHBondContact ND1-CA 3.49Å; H58-G60 PolarHBondContact ND1-N 3.24Å; H58-G60 VanDerWaalsContact ND1-N 3.11Å; H58-G60 PolarHBondContact O-N 2.95Å; H58-H61 AromaticContact CD2-CE1 3.64Å; H58-H61 AromaticContact CD2-ND1 3.54Å; H58-H61 AromaticContact CE1-CE1 3.49Å; H58-H61 PolarHBondContact CE1-CE1 2.85Å; H58-H61 VanDerWaalsContact CE1-CE1 3.49Å; H58-H61 AromaticContact CE1-ND1 3.22Å; H58-H61 PolarHBondContact CE1-ND1 2.82Å; H58-H61 AromaticContact CG-ND1 3.56Å; H58-H61 PolarHBondContact ND1-N 3.47Å; H58-H61 AromaticContact ND1-ND1 3.34Å; H58-H61 PolarHBondContact ND1-ND1 3Å; H58-H61 AromaticContact NE2-CE1 3.22Å; H58-H61 PolarHBondContact NE2-CE1 3.24Å; H58-H61 AromaticContact NE2-ND1 3.34Å; H58-H61 PolarHBondContact NE2-ND1 2.8Å; H58-H61 WeakPolarHBondContact O-CB 3.43Å; H58-H61 PolarHBondContact O-N 2.85Å; H58-T62 PolarHBondContact O-N 2.97Å; H58-T62 PolarHBondContact O-OG1 3.36Å; H58-F730 HydrophobicContact CB-CE1 4.1Å; H58-F730 HydrophobicContact CB-CE2 3.94Å; H58-F730 HydrophobicContact CB-CZ 3.47Å; H58-F730 VanDerWaalsContact CB-CZ 3.47Å; H58-F730 AromaticContact CD2-CE2 3.83Å; H58-F730 AromaticContact CD2-CZ 3.73Å; H58-F730 AromaticContact CG-CZ 3.89Å; H58-L731 WeakPolarHBondContact CA-O 3.33Å; H58-L731 WeakPolarHBondContact CB-O 3.22Å |
| 59 | L | 94.9 | Very high | 94.5 | Very high | 6 Ų | 6 | 18.4 Ų | 18.4 | 3% | 0.031 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -53.7 | -31.4 | -174.7 | -73.5 | -177.9 | 0 | 0 | 0 | 114.3 | H61 T62 F63 L716 L718 M723 L731 A736 V745 V761 | L59-H61 PolarHBondContact O-N 2.87Å; L59-T62 CarbonylContact O-C 3.55Å; L59-T62 PolarHBondContact O-N 2.83Å; L59-T62 VanDerWaalsContact O-N 3.15Å; L59-F63 WeakPolarHBondContact O-CB 3.37Å; L59-F63 PolarHBondContact O-N 2.83Å; L59-L716 VanDerWaalsContact C-CD2 3.5Å; L59-L716 HydrophobicContact CB-CD2 3.69Å; L59-L716 WeakPolarHBondContact O-CD2 3.47Å; L59-L718 HydrophobicContact CD1-CD1 4.32Å; L59-M723 HydrophobicContact CB-SD 4.11Å; L59-L731 HydrophobicContact CD1-CB 3.78Å; L59-L731 HydrophobicContact CD1-CD1 3.88Å; L59-L731 HydrophobicContact CD1-CG 4.47Å; L59-L731 HydrophobicContact CG-CB 4.1Å; L59-L731 PolarHBondContact N-O 3.47Å; L59-A736 HydrophobicContact CD1-CB 4.24Å; L59-A736 HydrophobicContact CD2-CB 3.59Å; L59-A736 HydrophobicContact CG-CB 4.09Å; L59-V745 HydrophobicContact CD2-CG1 4.04Å; L59-V761 HydrophobicContact CD1-CG1 4.11Å |
| 60 | G | 93.3 | Very high | 94.7 | Very high | 16 Ų | 16 | 17.4 Ų | 17.4 | 17% | 0.165 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -56.9 | -43.9 | 172 | 0 | 0 | 0 | 0 | 0 | 114.3 | H58 | H58-G60 WeakPolarHBondContact ND1-CA 3.49Å; H58-G60 PolarHBondContact ND1-N 3.24Å; H58-G60 VanDerWaalsContact ND1-N 3.11Å; H58-G60 PolarHBondContact O-N 2.95Å |
| 61 | H | 95 | Very high | 94.9 | Very high | 51 Ų | 51 | 17 Ų | 17 | 24% | 0.236 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.2 | -46 | 172.2 | -62.9 | 100.4 | 0 | 0 | 0 | 110.3 | L57 H58 L59 F63 S64 L65 | L57-H61 HydrophobicContact CD2-CB 4.35Å; H58-H61 AromaticContact CD2-CE1 3.64Å; H58-H61 AromaticContact CD2-ND1 3.54Å; H58-H61 AromaticContact CE1-CE1 3.49Å; H58-H61 PolarHBondContact CE1-CE1 2.85Å; H58-H61 VanDerWaalsContact CE1-CE1 3.49Å; H58-H61 AromaticContact CE1-ND1 3.22Å; H58-H61 PolarHBondContact CE1-ND1 2.82Å; H58-H61 AromaticContact CG-ND1 3.56Å; H58-H61 PolarHBondContact ND1-N 3.47Å; H58-H61 AromaticContact ND1-ND1 3.34Å; H58-H61 PolarHBondContact ND1-ND1 3Å; H58-H61 AromaticContact NE2-CE1 3.22Å; H58-H61 PolarHBondContact NE2-CE1 3.24Å; H58-H61 AromaticContact NE2-ND1 3.34Å; H58-H61 PolarHBondContact NE2-ND1 2.8Å; H58-H61 WeakPolarHBondContact O-CB 3.43Å; H58-H61 PolarHBondContact O-N 2.85Å; L59-H61 PolarHBondContact O-N 2.87Å; H61-F63 VanDerWaalsContact C-N 3.27Å; H61-F63 PolarHBondContact O-N 3.13Å; H61-S64 PolarHBondContact O-N 2.95Å; H61-L65 WeakPolarHBondContact O-CD2 3.4Å; H61-L65 WeakPolarHBondContact O-CG 3.26Å; H61-L65 PolarHBondContact O-N 3.06Å; H61-L65 VanDerWaalsContact O-N 3.11Å |
| 62 | T | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.4 | -36.6 | -178.1 | -44.3 | 0 | 0 | 0 | 0 | 112.5 | H58 L59 L65 S66 L189 L733 L749 | H58-T62 PolarHBondContact O-N 2.97Å; H58-T62 PolarHBondContact O-OG1 3.36Å; L59-T62 CarbonylContact O-C 3.55Å; L59-T62 PolarHBondContact O-N 2.83Å; L59-T62 VanDerWaalsContact O-N 3.15Å; T62-L65 HydrophobicContact CG2-CD1 4.39Å; T62-S66 WeakPolarHBondContact O-CB 3.25Å; T62-S66 PolarHBondContact O-N 2.94Å; T62-L189 HydrophobicContact CG2-CD2 3.69Å; T62-L733 HydrophobicContact CG2-CD1 3.74Å; T62-L749 HydrophobicContact CG2-CD1 3.49Å; T62-L749 VanDerWaalsContact CG2-CD1 3.49Å |
| 63 | F | 96.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 0% | 0.004 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.6 | -44.1 | -179.8 | 174.6 | -113 | 0 | 0 | 0 | 113.2 | L59 H61 S66 K67 N713 L716 L749 A752 G753 A759 | L59-F63 WeakPolarHBondContact O-CB 3.37Å; L59-F63 PolarHBondContact O-N 2.83Å; H61-F63 VanDerWaalsContact C-N 3.27Å; H61-F63 PolarHBondContact O-N 3.13Å; F63-S66 PolarHBondContact O-OG 3.16Å; F63-K67 WeakPolarHBondContact O-CG 3.42Å; F63-N713 HydrophobicContact CE1-CB 3.88Å; F63-N713 WeakPolarHBondContact CE1-ND2 2.97Å; F63-L716 HydrophobicContact CB-CB 4.21Å; F63-L716 HydrophobicContact CB-CD1 4.07Å; F63-L716 HydrophobicContact CB-CD2 3.89Å; F63-L716 HydrophobicContact CB-CG 4.28Å; F63-L716 HydrophobicContact CD1-CB 4.24Å; F63-L716 HydrophobicContact CD1-CD1 4.19Å; F63-L716 HydrophobicContact CD2-CD1 3.77Å; F63-L716 HydrophobicContact CE2-CD1 4.23Å; F63-L716 HydrophobicContact CG-CB 4.3Å; F63-L716 HydrophobicContact CG-CD1 3.75Å; F63-L716 HydrophobicContact CG-CD2 4.49Å; F63-L716 HydrophobicContact CG-CG 4.39Å; F63-L749 HydrophobicContact CB-CD2 3.99Å; F63-L749 HydrophobicContact CD2-CD2 4.14Å; F63-A752 HydrophobicContact CD2-CB 4.44Å; F63-A752 HydrophobicContact CE2-CB 4.03Å; F63-G753 WeakPolarHBondContact CE2-O 3.26Å; F63-G753 VanDerWaalsContact CZ-O 3.25Å; F63-G753 WeakPolarHBondContact CZ-O 3.48Å; F63-A759 HydrophobicContact CE1-CB 3.7Å; F63-A759 HydrophobicContact CE2-CB 3.77Å; F63-A759 HydrophobicContact CZ-CB 3.22Å |
| 64 | S | 96.2 | Very high | 95.6 | Very high | 11 Ų | 11 | 15.2 Ų | 15.2 | 8% | 0.077 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -71.9 | -46.8 | 176.7 | -72.4 | 0 | 0 | 0 | 0 | 111.4 | H61 S66 K67 V678 N713 | H61-S64 PolarHBondContact O-N 2.95Å; S64-S66 PolarHBondContact O-N 2.86Å; S64-K67 PolarHBondContact O-N 3.44Å; S64-V678 WeakPolarHBondContact O-CG1 3.49Å; S64-N713 WeakPolarHBondContact CB-OD1 3.24Å; S64-N713 VanDerWaalsContact OG-CG 3.25Å; S64-N713 PolarHBondContact OG-ND2 3.33Å; S64-N713 PolarHBondContact OG-OD1 3.05Å |
| 65 | L | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -67.8 | -23.2 | 179.5 | 70.6 | 86.6 | 0 | 0 | 0 | 113 | F48 H61 T62 K67 C68 E69 W84 F86 L186 L189 V191 | F48-L65 HydrophobicContact CD1-CB 4.17Å; F48-L65 HydrophobicContact CD2-CB 3.83Å; F48-L65 HydrophobicContact CE1-CB 4.29Å; F48-L65 HydrophobicContact CE1-CD2 4.37Å; F48-L65 HydrophobicContact CE2-CB 4.02Å; F48-L65 HydrophobicContact CG-CB 3.95Å; F48-L65 HydrophobicContact CZ-CB 4.24Å; H61-L65 WeakPolarHBondContact O-CD2 3.4Å; H61-L65 WeakPolarHBondContact O-CG 3.26Å; H61-L65 PolarHBondContact O-N 3.06Å; H61-L65 VanDerWaalsContact O-N 3.11Å; T62-L65 HydrophobicContact CG2-CD1 4.39Å; L65-K67 PolarHBondContact O-N 3.15Å; L65-C68 VanDerWaalsContact O-CB 3.26Å; L65-C68 WeakPolarHBondContact O-CB 3.42Å; L65-C68 PolarHBondContact O-N 2.77Å; L65-C68 VanDerWaalsContact O-N 3.1Å; L65-E69 PolarHBondContact O-N 2.87Å; L65-W84 HydrophobicContact CB-CZ2 4.23Å; L65-W84 HydrophobicContact CD1-CH2 4.27Å; L65-F86 HydrophobicContact CD2-CE2 4.38Å; L65-F86 HydrophobicContact CD2-CZ 4.41Å; L65-L186 HydrophobicContact CD1-CD2 4.03Å; L65-L186 HydrophobicContact CD2-CD2 3.75Å; L65-L189 HydrophobicContact CD1-CD2 4.2Å; L65-V191 HydrophobicContact CD1-CG1 4.28Å |
| 66 | S | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.1 | -33.5 | 178 | 75.2 | 0 | 0 | 0 | 0 | 111.2 | T62 F63 S64 C68 E69 F70 | T62-S66 WeakPolarHBondContact O-CB 3.25Å; T62-S66 PolarHBondContact O-N 2.94Å; F63-S66 PolarHBondContact O-OG 3.16Å; S64-S66 PolarHBondContact O-N 2.86Å; S66-C68 VanDerWaalsContact C-N 3.29Å; S66-C68 PolarHBondContact O-N 2.88Å; S66-E69 WeakPolarHBondContact O-CG 3.46Å; S66-E69 PolarHBondContact O-N 2.85Å; S66-F70 WeakPolarHBondContact O-CB 3.34Å; S66-F70 WeakPolarHBondContact O-CD1 3.33Å; S66-F70 VanDerWaalsContact O-CD2 3.26Å; S66-F70 WeakPolarHBondContact O-CD2 3.42Å; S66-F70 WeakPolarHBondContact O-CG 3.48Å; S66-F70 PolarHBondContact O-N 3.04Å |
| 67 | K | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.4 | -36.5 | 175.7 | -44.7 | -58.6 | 176.3 | 171.5 | 0 | 111.1 | F63 S64 L65 S71 V678 L749 G753 D754 Y831 | F63-K67 WeakPolarHBondContact O-CG 3.42Å; S64-K67 PolarHBondContact O-N 3.44Å; L65-K67 PolarHBondContact O-N 3.15Å; K67-S71 WeakPolarHBondContact O-CB 3.41Å; K67-S71 PolarHBondContact O-N 3.4Å; K67-S71 VanDerWaalsContact O-N 3.09Å; K67-S71 PolarHBondContact O-OG 2.82Å; K67-V678 HydrophobicContact CB-CG1 4.1Å; K67-V678 HydrophobicContact CB-CG2 4.36Å; K67-V678 HydrophobicContact CG-CG1 4.48Å; K67-L749 PolarHBondContact NZ-O 3.27Å; K67-G753 PolarHBondContact NZ-O 3.47Å; K67-D754 IonicContact NZ-OD1 3.5Å; K67-D754 PolarHBondContact NZ-OD1 3.25Å; K67-Y831 HydrophobicContact CB-CE2 3.87Å; K67-Y831 HydrophobicContact CD-CD2 3.5Å; K67-Y831 VanDerWaalsContact CD-CD2 3.5Å; K67-Y831 HydrophobicContact CD-CE2 3.66Å; K67-Y831 HydrophobicContact CG-CE2 4.3Å; K67-Y831 PolarHBondContact O-OH 2.88Å |
| 68 | C | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58.9 | -54 | 171.5 | -61.7 | 0 | 0 | 0 | 0 | 110.6 | V46 L65 S66 F70 S71 V72 W84 V678 | V46-C68 HydrophobicContact CG1-CB 3.62Å; L65-C68 VanDerWaalsContact O-CB 3.26Å; L65-C68 WeakPolarHBondContact O-CB 3.42Å; L65-C68 PolarHBondContact O-N 2.77Å; L65-C68 VanDerWaalsContact O-N 3.1Å; S66-C68 VanDerWaalsContact C-N 3.29Å; S66-C68 PolarHBondContact O-N 2.88Å; C68-F70 VanDerWaalsContact C-N 3.31Å; C68-F70 PolarHBondContact O-N 3.46Å; C68-S71 PolarHBondContact O-N 2.9Å; C68-S71 PolarHBondContact O-OG 2.79Å; C68-V72 VanDerWaalsContact O-CG2 3.29Å; C68-V72 WeakPolarHBondContact O-CG2 3.35Å; C68-V72 PolarHBondContact O-N 3.46Å; C68-W84 HydrophobicContact CB-CD2 4.22Å; C68-W84 HydrophobicContact CB-CH2 4.34Å; C68-W84 HydrophobicContact CB-CZ2 3.66Å; C68-V678 VanDerWaalsContact SG-CB 3.55Å; C68-V678 WeakPolarHBondContact SG-CG2 3.46Å |
| 69 | E | 96.7 | Very high | 97 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -67.3 | -31.2 | -174.9 | 77.6 | 156 | 126.4 | 0 | 0 | 114 | L65 S66 V72 G73 W84 K192 R746 | L65-E69 PolarHBondContact O-N 2.87Å; S66-E69 WeakPolarHBondContact O-CG 3.46Å; S66-E69 PolarHBondContact O-N 2.85Å; E69-V72 PolarHBondContact O-N 2.87Å; E69-G73 PolarHBondContact O-N 3.45Å; E69-W84 HydrophobicContact CB-CE3 4.1Å; E69-W84 HydrophobicContact CB-CH2 3.76Å; E69-W84 HydrophobicContact CB-CZ3 3.32Å; E69-K192 PolarHBondContact O-NZ 2.95Å; E69-K192 IonicContact OE2-NZ 3.89Å; E69-K192 PolarHBondContact OE2-NZ 3.37Å; E69-R746 VanDerWaalsContact CD-NE 3.26Å; E69-R746 IonicContact OE1-CZ 3.78Å; E69-R746 IonicContact OE1-NE 3.64Å; E69-R746 PolarHBondContact OE1-NE 3.22Å; E69-R746 IonicContact OE1-NH2 3.76Å; E69-R746 PolarHBondContact OE1-NH2 3.37Å; E69-R746 IonicContact OE2-CZ 2.7Å; E69-R746 VanDerWaalsContact OE2-CZ 3.27Å; E69-R746 IonicContact OE2-NE 2.67Å; E69-R746 PolarHBondContact OE2-NE 3.11Å; E69-R746 VanDerWaalsContact OE2-NE 3.12Å; E69-R746 IonicContact OE2-NH2 3.69Å; E69-R746 PolarHBondContact OE2-NH2 3.39Å |
| 70 | F | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -69.3 | -43.5 | 177.1 | -60.1 | -20.6 | 0 | 0 | 0 | 109.9 | S66 C68 V72 G73 Y74 R746 A750 Y831 P875 I876 | S66-F70 WeakPolarHBondContact O-CB 3.34Å; S66-F70 WeakPolarHBondContact O-CD1 3.33Å; S66-F70 VanDerWaalsContact O-CD2 3.26Å; S66-F70 WeakPolarHBondContact O-CD2 3.42Å; S66-F70 WeakPolarHBondContact O-CG 3.48Å; S66-F70 PolarHBondContact O-N 3.04Å; C68-F70 VanDerWaalsContact C-N 3.31Å; C68-F70 PolarHBondContact O-N 3.46Å; F70-V72 VanDerWaalsContact C-N 3.35Å; F70-V72 PolarHBondContact O-N 3.5Å; F70-G73 PolarHBondContact O-N 2.94Å; F70-Y74 PolarHBondContact O-N 2.86Å; F70-R746 HydrophobicContact CE1-CB 4.02Å; F70-R746 HydrophobicContact CE1-CG 4Å; F70-R746 HydrophobicContact CZ-CB 4.01Å; F70-R746 HydrophobicContact CZ-CG 4.28Å; F70-A750 HydrophobicContact CE2-CB 4Å; F70-A750 HydrophobicContact CZ-CB 4.4Å; F70-Y831 HydrophobicContact CB-CD1 3.61Å; F70-Y831 HydrophobicContact CB-CE1 3.28Å; F70-Y831 HydrophobicContact CB-CE2 4.41Å; F70-Y831 HydrophobicContact CB-CG 4.31Å; F70-Y831 AromaticContact CD2-CD1 3.76Å; F70-Y831 HydrophobicContact CD2-CD1 3.76Å; F70-Y831 AromaticContact CD2-CD2 3.95Å; F70-Y831 HydrophobicContact CD2-CD2 3.95Å; F70-Y831 HydrophobicContact CD2-CE1 4.17Å; F70-Y831 HydrophobicContact CD2-CE2 4.32Å; F70-Y831 AromaticContact CD2-CG 3.63Å; F70-Y831 HydrophobicContact CD2-CG 3.63Å; F70-Y831 HydrophobicContact CE2-CG 4.45Å; F70-Y831 HydrophobicContact CG-CD1 4.1Å; F70-Y831 HydrophobicContact CG-CE1 4.21Å; F70-Y831 HydrophobicContact CG-CG 4.42Å; F70-P875 WeakPolarHBondContact CD1-O 3.43Å; F70-I876 HydrophobicContact CD1-CB 4.42Å; F70-I876 HydrophobicContact CD1-CG1 4.07Å; F70-I876 HydrophobicContact CD2-CG1 4.38Å; F70-I876 HydrophobicContact CE1-CB 4.32Å; F70-I876 HydrophobicContact CE1-CG1 4.33Å; F70-I876 HydrophobicContact CE1-CG2 4.17Å; F70-I876 HydrophobicContact CG-CG1 4.11Å; F70-I876 HydrophobicContact CZ-CG2 4.17Å |
| 71 | S | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.014 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 173.9 | 73.2 | 0 | 0 | 0 | 0 | 112.1 | K67 C68 Y74 E75 L676 Y831 | K67-S71 WeakPolarHBondContact O-CB 3.41Å; K67-S71 PolarHBondContact O-N 3.4Å; K67-S71 VanDerWaalsContact O-N 3.09Å; K67-S71 PolarHBondContact O-OG 2.82Å; C68-S71 PolarHBondContact O-N 2.9Å; C68-S71 PolarHBondContact O-OG 2.79Å; S71-Y74 PolarHBondContact O-N 2.82Å; S71-E75 WeakPolarHBondContact O-CB 3.35Å; S71-E75 VanDerWaalsContact O-CG 3.3Å; S71-E75 WeakPolarHBondContact O-CG 3.27Å; S71-E75 PolarHBondContact O-N 2.89Å; S71-L676 WeakPolarHBondContact OG-CD2 3.5Å; S71-Y831 WeakPolarHBondContact CB-OH 3.16Å; S71-Y831 PolarHBondContact N-OH 2.92Å |
| 72 | V | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.1 | -48.6 | 177.1 | 169.7 | 0 | 0 | 0 | 0 | 110.4 | V46 C68 E69 F70 Y74 E75 R76 T82 W84 K192 | V46-V72 HydrophobicContact CB-CG2 4.1Å; V46-V72 HydrophobicContact CG2-CG2 3.74Å; C68-V72 VanDerWaalsContact O-CG2 3.29Å; C68-V72 WeakPolarHBondContact O-CG2 3.35Å; C68-V72 PolarHBondContact O-N 3.46Å; E69-V72 PolarHBondContact O-N 2.87Å; F70-V72 VanDerWaalsContact C-N 3.35Å; F70-V72 PolarHBondContact O-N 3.5Å; V72-Y74 VanDerWaalsContact C-N 3.33Å; V72-Y74 PolarHBondContact O-N 3.21Å; V72-E75 PolarHBondContact O-N 3.17Å; V72-R76 VanDerWaalsContact O-CG 3.31Å; V72-R76 WeakPolarHBondContact O-CG 3.4Å; V72-R76 PolarHBondContact O-N 3.31Å; V72-T82 HydrophobicContact CG1-CG2 4.45Å; V72-W84 HydrophobicContact CG2-CB 3.79Å; V72-W84 HydrophobicContact CG2-CG 4.25Å; V72-K192 HydrophobicContact CB-CD 4.49Å; V72-K192 HydrophobicContact CG1-CB 3.9Å; V72-K192 HydrophobicContact CG1-CD 4.13Å |
| 73 | G | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.3 | -45.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E69 F70 L77 | E69-G73 PolarHBondContact O-N 3.45Å; F70-G73 PolarHBondContact O-N 2.94Å; G73-L77 WeakPolarHBondContact O-CG 3.49Å; G73-L77 PolarHBondContact O-N 2.96Å |
| 74 | Y | 98.6 | Very high | 97.5 | Very high | 13 Ų | 13 | 15.1 Ų | 15.1 | 5% | 0.051 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.8 | -49.8 | 177.1 | 166.4 | -113.5 | 0 | 0 | 0 | 112.4 | F70 S71 V72 R76 L77 K78 D823 Y826 A827 W900 | F70-Y74 PolarHBondContact O-N 2.86Å; S71-Y74 PolarHBondContact O-N 2.82Å; V72-Y74 VanDerWaalsContact C-N 3.33Å; V72-Y74 PolarHBondContact O-N 3.21Å; Y74-R76 VanDerWaalsContact C-N 3.28Å; Y74-R76 PolarHBondContact O-N 3.05Å; Y74-L77 WeakPolarHBondContact O-CA 3.4Å; Y74-L77 WeakPolarHBondContact O-CB 3.2Å; Y74-L77 PolarHBondContact O-N 3.41Å; Y74-K78 HydrophobicContact CD2-CD 4.43Å; Y74-K78 HydrophobicContact CD2-CG 4.28Å; Y74-K78 HydrophobicContact CE1-CG 4.06Å; Y74-K78 HydrophobicContact CE2-CD 3.64Å; Y74-K78 HydrophobicContact CE2-CG 3.81Å; Y74-K78 PolarHBondContact O-N 3.32Å; Y74-D823 WeakPolarHBondContact CE2-OD1 3.33Å; Y74-D823 PolarHBondContact OH-O 3.42Å; Y74-D823 PolarHBondContact OH-OD1 3.06Å; Y74-Y826 HydrophobicContact CD2-CD1 4.19Å; Y74-Y826 AromaticContact CD2-CD2 3.96Å; Y74-Y826 HydrophobicContact CD2-CD2 3.96Å; Y74-Y826 AromaticContact CD2-CG 3.62Å; Y74-Y826 HydrophobicContact CD2-CG 3.62Å; Y74-Y826 HydrophobicContact CE2-CD2 4.44Å; Y74-Y826 HydrophobicContact CE2-CG 4.18Å; Y74-Y826 AromaticContact CG-CD1 3.98Å; Y74-Y826 HydrophobicContact CG-CD1 3.98Å; Y74-Y826 AromaticContact CG-CG 3.83Å; Y74-Y826 HydrophobicContact CG-CG 3.83Å; Y74-A827 HydrophobicContact CE1-CB 4.47Å; Y74-W900 AromaticContact CD2-CE3 3.84Å; Y74-W900 HydrophobicContact CD2-CE3 3.84Å; Y74-W900 AromaticContact CD2-CH2 3.92Å; Y74-W900 HydrophobicContact CD2-CH2 3.92Å; Y74-W900 AromaticContact CD2-CZ3 3.42Å; Y74-W900 HydrophobicContact CD2-CZ3 3.42Å; Y74-W900 VanDerWaalsContact CD2-CZ3 3.42Å; Y74-W900 HydrophobicContact CE2-CD2 4.33Å; Y74-W900 AromaticContact CE2-CE3 3.9Å; Y74-W900 HydrophobicContact CE2-CE3 3.9Å; Y74-W900 AromaticContact CE2-CH2 3.9Å; Y74-W900 HydrophobicContact CE2-CH2 3.9Å; Y74-W900 HydrophobicContact CE2-CZ2 4.31Å; Y74-W900 AromaticContact CE2-CZ3 3.69Å; Y74-W900 HydrophobicContact CE2-CZ3 3.69Å |
| 75 | E | 98.4 | Very high | 97.5 | Very high | 22 Ų | 22 | 14.6 Ų | 14.6 | 10% | 0.103 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -68.8 | -27.2 | -175.9 | -69.9 | -75 | -168.2 | 0 | 0 | 112.8 | Y44 S71 V72 K78 G79 K80 T82 | Y44-E75 HydrophobicContact CD1-CB 3.79Å; Y44-E75 HydrophobicContact CD1-CG 3.63Å; Y44-E75 HydrophobicContact CD2-CG 4Å; Y44-E75 HydrophobicContact CE1-CB 4.28Å; Y44-E75 HydrophobicContact CE1-CG 3.65Å; Y44-E75 HydrophobicContact CE2-CG 4.01Å; Y44-E75 HydrophobicContact CG-CB 3.92Å; Y44-E75 HydrophobicContact CG-CG 3.8Å; S71-E75 WeakPolarHBondContact O-CB 3.35Å; S71-E75 VanDerWaalsContact O-CG 3.3Å; S71-E75 WeakPolarHBondContact O-CG 3.27Å; S71-E75 PolarHBondContact O-N 2.89Å; V72-E75 PolarHBondContact O-N 3.17Å; E75-K78 PolarHBondContact O-N 3.07Å; E75-G79 PolarHBondContact O-N 2.71Å; E75-K80 VanDerWaalsContact CD-NZ 3.29Å; E75-K80 WeakPolarHBondContact O-CB 3.41Å; E75-K80 PolarHBondContact O-N 2.84Å; E75-K80 VanDerWaalsContact O-N 3.07Å; E75-K80 IonicContact OE1-NZ 3.38Å; E75-K80 PolarHBondContact OE1-NZ 3.05Å; E75-K80 WeakPolarHBondContact OE2-CD 3.47Å; E75-K80 WeakPolarHBondContact OE2-CE 3.36Å; E75-K80 IonicContact OE2-NZ 2.83Å; E75-K80 PolarHBondContact OE2-NZ 3.3Å; E75-T82 HydrophobicContact CB-CG2 3.98Å |
| 76 | R | 97.6 | Very high | 97.5 | Very high | 33 Ų | 33 | 14.8 Ų | 14.8 | 13% | 0.125 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62 | -45.9 | 167.4 | -74.1 | -174.7 | 74.1 | 101.7 | -9.2 | 111.9 | V28 V72 Y74 K78 G79 T82 F896 | V28-R76 PolarHBondContact O-NH1 2.81Å; V28-R76 PolarHBondContact O-NH2 2.77Å; V28-R76 VanDerWaalsContact O-NH2 3.1Å; V72-R76 VanDerWaalsContact O-CG 3.31Å; V72-R76 WeakPolarHBondContact O-CG 3.4Å; V72-R76 PolarHBondContact O-N 3.31Å; Y74-R76 VanDerWaalsContact C-N 3.28Å; Y74-R76 PolarHBondContact O-N 3.05Å; R76-K78 PolarHBondContact O-N 2.88Å; R76-G79 WeakPolarHBondContact O-CA 3.43Å; R76-G79 PolarHBondContact O-N 3.46Å; R76-T82 HydrophobicContact CB-CG2 4.3Å; R76-T82 WeakPolarHBondContact CD-OG1 3.26Å; R76-T82 HydrophobicContact CG-CG2 3.38Å; R76-T82 WeakPolarHBondContact CG-OG1 3.29Å; R76-F896 PolarHBondContact NE-O 3.31Å; R76-F896 PolarHBondContact NH2-O 3.2Å |
| 77 | L | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63 | -34.2 | 174.9 | -63 | 173.6 | 0 | 0 | 0 | 110.8 | G73 Y74 G79 L871 P875 E898 K899 W900 | G73-L77 WeakPolarHBondContact O-CG 3.49Å; G73-L77 PolarHBondContact O-N 2.96Å; Y74-L77 WeakPolarHBondContact O-CA 3.4Å; Y74-L77 WeakPolarHBondContact O-CB 3.2Å; Y74-L77 PolarHBondContact O-N 3.41Å; L77-G79 PolarHBondContact O-N 3.32Å; L77-L871 WeakPolarHBondContact CD1-O 3.26Å; L77-L871 HydrophobicContact CD2-CD2 4.2Å; L77-P875 HydrophobicContact CD1-CG 3.87Å; L77-E898 HydrophobicContact CD2-CB 4.46Å; L77-K899 CarbonylContact O-C 3.27Å; L77-K899 WeakPolarHBondContact O-CA 3.24Å; L77-W900 HydrophobicContact CB-CB 4.36Å; L77-W900 HydrophobicContact CB-CE3 3.85Å; L77-W900 HydrophobicContact CD1-CE3 4.01Å; L77-W900 HydrophobicContact CD1-CZ3 4.11Å; L77-W900 PolarHBondContact O-N 2.94Å |
| 78 | K | 97.4 | Very high | 97.4 | Very high | 75 Ų | 75 | 14.8 Ų | 14.8 | 33% | 0.326 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -0.8 | 170.9 | -58.3 | -55.9 | -66.6 | -164.3 | 0 | 114 | Y74 E75 R76 D823 W900 | Y74-K78 HydrophobicContact CD2-CD 4.43Å; Y74-K78 HydrophobicContact CD2-CG 4.28Å; Y74-K78 HydrophobicContact CE1-CG 4.06Å; Y74-K78 HydrophobicContact CE2-CD 3.64Å; Y74-K78 HydrophobicContact CE2-CG 3.81Å; Y74-K78 PolarHBondContact O-N 3.32Å; E75-K78 PolarHBondContact O-N 3.07Å; R76-K78 PolarHBondContact O-N 2.88Å; K78-D823 VanDerWaalsContact NZ-CG 3.26Å; K78-D823 IonicContact NZ-OD1 3.66Å; K78-D823 PolarHBondContact NZ-OD1 3.43Å; K78-D823 IonicContact NZ-OD2 2.99Å; K78-D823 PolarHBondContact NZ-OD2 3.23Å; K78-W900 HydrophobicContact CD-CB 3.97Å; K78-W900 HydrophobicContact CD-CD2 4.08Å; K78-W900 HydrophobicContact CD-CE3 4.34Å; K78-W900 HydrophobicContact CD-CG 3.93Å |
| 79 | G | 94.4 | Very high | 97.3 | Very high | 52 Ų | 52 | 15.8 Ų | 15.8 | 54% | 0.536 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | 12.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E75 R76 L77 | E75-G79 PolarHBondContact O-N 2.71Å; R76-G79 WeakPolarHBondContact O-CA 3.43Å; R76-G79 PolarHBondContact O-N 3.46Å; L77-G79 PolarHBondContact O-N 3.32Å |
| 80 | K | 95.8 | Very high | 97.3 | Very high | 53 Ų | 53 | 15.8 Ų | 15.8 | 23% | 0.23 | 9% | 0.086 | C | C | . | . | trans | -83.8 | 145.1 | 176.7 | -58 | -171.8 | -172 | 154.5 | 0 | 110.6 | Q42 E75 T82 | Q42-K80 HydrophobicContact CB-CD 4.38Å; Q42-K80 HydrophobicContact CB-CG 3.93Å; Q42-K80 WeakPolarHBondContact O-CA 3.25Å; E75-K80 VanDerWaalsContact CD-NZ 3.29Å; E75-K80 WeakPolarHBondContact O-CB 3.41Å; E75-K80 PolarHBondContact O-N 2.84Å; E75-K80 VanDerWaalsContact O-N 3.07Å; E75-K80 IonicContact OE1-NZ 3.38Å; E75-K80 PolarHBondContact OE1-NZ 3.05Å; E75-K80 WeakPolarHBondContact OE2-CD 3.47Å; E75-K80 WeakPolarHBondContact OE2-CE 3.36Å; E75-K80 IonicContact OE2-NZ 2.83Å; E75-K80 PolarHBondContact OE2-NZ 3.3Å; K80-T82 PolarHBondContact O-N 3.4Å | ||
| 81 | L | 96.2 | Very high | 97 | Very high | 45 Ų | 45 | 15.8 Ų | 15.8 | 24% | 0.236 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 111.6 | 167.8 | -169.7 | 68.5 | 0 | 0 | 0 | 108.9 | A31 P34 I41 Q42 K43 Y44 F670 W671 | A31-L81 HydrophobicContact CB-CD1 4.47Å; P34-L81 HydrophobicContact CG-CD2 3.95Å; I41-L81 HydrophobicContact CG2-CB 3.96Å; Q42-L81 PolarHBondContact O-N 3.22Å; K43-L81 CarbonylContact C-O 3.59Å; K43-L81 WeakPolarHBondContact CA-O 3.28Å; Y44-L81 PolarHBondContact N-O 2.7Å; L81-F670 HydrophobicContact CD2-CE1 3.94Å; L81-F670 HydrophobicContact CD2-CZ 4.01Å; L81-W671 HydrophobicContact CB-CH2 4.47Å; L81-W671 HydrophobicContact CD2-CH2 3.73Å; L81-W671 HydrophobicContact CD2-CZ2 4.01Å; L81-W671 HydrophobicContact CG-CH2 3.72Å; L81-W671 HydrophobicContact CG-CZ2 4.43Å; L81-W671 HydrophobicContact CG-CZ3 4.5Å; L81-W671 WeakPolarHBondContact O-CZ3 3.38Å |
| 82 | T | 97.7 | Very high | 96.5 | Very high | 5 Ų | 5 | 15.7 Ų | 15.7 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 140.2 | -173.8 | 63.5 | 0 | 0 | 0 | 0 | 112 | Y44 V72 E75 R76 K80 | Y44-T82 CarbonylContact O-C 3.58Å; Y44-T82 VanDerWaalsContact O-CA 3.29Å; Y44-T82 WeakPolarHBondContact O-CA 3.41Å; V72-T82 HydrophobicContact CG1-CG2 4.45Å; E75-T82 HydrophobicContact CB-CG2 3.98Å; R76-T82 HydrophobicContact CB-CG2 4.3Å; R76-T82 WeakPolarHBondContact CD-OG1 3.26Å; R76-T82 HydrophobicContact CG-CG2 3.38Å; R76-T82 WeakPolarHBondContact CG-OG1 3.29Å; K80-T82 PolarHBondContact O-N 3.4Å |
| 83 | L | 98.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 124.7 | 170.6 | 171.2 | 58.9 | 0 | 0 | 0 | 109.9 | Y44 F45 V46 D194 W671 | Y44-L83 PolarHBondContact O-N 3.33Å; F45-L83 WeakPolarHBondContact CA-O 3.16Å; F45-L83 HydrophobicContact CD2-CB 4.23Å; F45-L83 HydrophobicContact CD2-CD2 3.98Å; F45-L83 HydrophobicContact CD2-CG 3.91Å; F45-L83 HydrophobicContact CE2-CD2 4.14Å; F45-L83 HydrophobicContact CE2-CG 4.23Å; V46-L83 PolarHBondContact N-O 2.96Å; L83-D194 HydrophobicContact CD1-CB 4.09Å; L83-W671 HydrophobicContact CB-CD2 4.01Å; L83-W671 HydrophobicContact CB-CE3 3.55Å; L83-W671 HydrophobicContact CB-CH2 3.55Å; L83-W671 HydrophobicContact CB-CZ2 4.05Å; L83-W671 HydrophobicContact CB-CZ3 3.3Å; L83-W671 HydrophobicContact CD2-CB 4.28Å; L83-W671 HydrophobicContact CD2-CD2 3.55Å; L83-W671 HydrophobicContact CD2-CE3 3.92Å; L83-W671 HydrophobicContact CD2-CG 3.71Å; L83-W671 HydrophobicContact CD2-CZ2 4.38Å; L83-W671 HydrophobicContact CD2-CZ3 4.45Å; L83-W671 HydrophobicContact CG-CD2 4.4Å; L83-W671 HydrophobicContact CG-CE3 4.36Å; L83-W671 HydrophobicContact CG-CZ3 4.48Å |
| 84 | W | 98.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 1% | 0.011 | 9% | 0.092 | C | C | . | . | trans | -132.1 | 99.7 | 168.4 | -176.3 | 32.2 | 0 | 0 | 0 | 110.1 | L65 C68 E69 V72 F86 V191 K192 V193 D194 | L65-W84 HydrophobicContact CB-CZ2 4.23Å; L65-W84 HydrophobicContact CD1-CH2 4.27Å; C68-W84 HydrophobicContact CB-CD2 4.22Å; C68-W84 HydrophobicContact CB-CH2 4.34Å; C68-W84 HydrophobicContact CB-CZ2 3.66Å; E69-W84 HydrophobicContact CB-CE3 4.1Å; E69-W84 HydrophobicContact CB-CH2 3.76Å; E69-W84 HydrophobicContact CB-CZ3 3.32Å; V72-W84 HydrophobicContact CG2-CB 3.79Å; V72-W84 HydrophobicContact CG2-CG 4.25Å; W84-F86 HydrophobicContact CZ2-CD2 4.16Å; W84-F86 HydrophobicContact CZ2-CE2 4.31Å; W84-V191 HydrophobicContact CH2-CB 3.91Å; W84-V191 HydrophobicContact CH2-CG1 4.06Å; W84-V191 HydrophobicContact CZ3-CB 3.65Å; W84-V191 HydrophobicContact CZ3-CG1 4.25Å; W84-K192 HydrophobicContact CE3-CB 4.25Å; W84-V193 HydrophobicContact CD2-CG2 3.76Å; W84-V193 HydrophobicContact CE3-CG2 3.54Å; W84-V193 HydrophobicContact CG-CG2 4.44Å; W84-V193 HydrophobicContact CH2-CG2 4.01Å; W84-V193 HydrophobicContact CZ2-CG2 4.21Å; W84-V193 HydrophobicContact CZ3-CG2 3.67Å; W84-V193 CarbonylContact O-C 3.57Å; W84-V193 VanDerWaalsContact O-CA 3.22Å; W84-V193 WeakPolarHBondContact O-CA 3.46Å; W84-D194 PolarHBondContact O-N 3.42Å | ||
| 85 | P | 97.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | trans | -92.1 | 162 | 175.3 | 36.5 | -30.1 | 0 | 0 | 0 | 110.4 | F45 V46 R197 Y603 | F45-P85 HydrophobicContact CE2-CG 3.61Å; F45-P85 HydrophobicContact CZ-CG 4.31Å; V46-P85 WeakPolarHBondContact O-CD 3.11Å; P85-R197 HydrophobicContact CB-CB 3.75Å; P85-Y603 HydrophobicContact CB-CD1 3.52Å; P85-Y603 HydrophobicContact CB-CD2 4.18Å; P85-Y603 HydrophobicContact CB-CE1 4.01Å; P85-Y603 HydrophobicContact CB-CG 3.67Å; P85-Y603 HydrophobicContact CG-CD1 3.72Å; P85-Y603 HydrophobicContact CG-CD2 3.41Å; P85-Y603 VanDerWaalsContact CG-CD2 3.41Å; P85-Y603 HydrophobicContact CG-CE1 4.26Å; P85-Y603 HydrophobicContact CG-CE2 3.99Å; P85-Y603 HydrophobicContact CG-CG 3.31Å | ||
| 86 | F | 96.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 1% | 0.013 | 9% | 0.092 | C | C | . | . | trans | -139 | 118.7 | -176.7 | -153.3 | -79.8 | 0 | 0 | 0 | 111.6 | F48 P51 L65 W84 L88 L186 V193 W195 S198 | F48-F86 AromaticContact CD1-CE2 3.57Å; F48-F86 HydrophobicContact CD1-CE2 3.57Å; F48-F86 AromaticContact CD1-CZ 3.64Å; F48-F86 HydrophobicContact CD1-CZ 3.64Å; F48-F86 HydrophobicContact CE1-CE2 4.2Å; F48-F86 AromaticContact CE1-CZ 3.88Å; F48-F86 HydrophobicContact CE1-CZ 3.88Å; F48-F86 HydrophobicContact CG-CE2 4.36Å; P51-F86 VanDerWaalsContact CD-CE1 3.47Å; P51-F86 HydrophobicContact CG-CE1 3.73Å; P51-F86 HydrophobicContact CG-CZ 3.91Å; L65-F86 HydrophobicContact CD2-CE2 4.38Å; L65-F86 HydrophobicContact CD2-CZ 4.41Å; W84-F86 HydrophobicContact CZ2-CD2 4.16Å; W84-F86 HydrophobicContact CZ2-CE2 4.31Å; F86-L88 HydrophobicContact CD1-CD2 4.09Å; F86-L88 HydrophobicContact CE1-CD2 3.98Å; F86-L186 HydrophobicContact CD1-CD1 3.97Å; F86-L186 HydrophobicContact CD2-CD1 4.38Å; F86-L186 HydrophobicContact CE1-CD1 3.56Å; F86-L186 HydrophobicContact CE2-CD1 4.01Å; F86-L186 HydrophobicContact CG-CD1 4.36Å; F86-L186 HydrophobicContact CZ-CD1 3.58Å; F86-V193 HydrophobicContact CB-CG1 3.72Å; F86-V193 HydrophobicContact CB-CG2 4.15Å; F86-V193 HydrophobicContact CD2-CG2 4.3Å; F86-W195 HydrophobicContact CB-CZ3 4.19Å; F86-S198 WeakPolarHBondContact O-CA 3.24Å; F86-S198 WeakPolarHBondContact O-CB 3.46Å; F86-S198 PolarHBondContact O-OG 3.12Å | ||
| 87 | G | 96 | Very high | 93.6 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | trans | -104.1 | 166.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y50 F199 Y603 | Y50-G87 WeakPolarHBondContact CB-O 3.17Å; G87-F199 CarbonylContact C-O 3.31Å; G87-F199 WeakPolarHBondContact CA-O 3.19Å; G87-Y603 WeakPolarHBondContact CA-OH 3.46Å; G87-Y603 PolarHBondContact N-OH 2.56Å | ||
| 88 | L | 97.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.103 | C | C | . | . | B | Isolated β-bridge | trans | -132 | 116.5 | -172.7 | -61.6 | 166.1 | 0 | 0 | 0 | 108.9 | M53 F86 P179 A182 V183 F199 I200 T201 L614 | M53-L88 HydrophobicContact CE-CB 4.44Å; M53-L88 HydrophobicContact CE-CD2 3.73Å; M53-L88 HydrophobicContact CG-CB 3.82Å; M53-L88 HydrophobicContact SD-CB 3.93Å; M53-L88 HydrophobicContact SD-CD2 3.69Å; M53-L88 HydrophobicContact SD-CG 4.29Å; F86-L88 HydrophobicContact CD1-CD2 4.09Å; F86-L88 HydrophobicContact CE1-CD2 3.98Å; L88-P179 HydrophobicContact CB-CB 4.46Å; L88-P179 HydrophobicContact CD1-CB 3.71Å; L88-A182 HydrophobicContact CD2-CB 4.01Å; L88-V183 HydrophobicContact CD1-CG2 3.76Å; L88-F199 PolarHBondContact N-O 3.32Å; L88-I200 HydrophobicContact CB-CG2 3.95Å; L88-I200 VanDerWaalsContact O-CA 3.27Å; L88-I200 WeakPolarHBondContact O-CA 3.27Å; L88-T201 PolarHBondContact O-N 3.32Å; L88-L614 HydrophobicContact CD1-CD1 4.04Å; L88-L614 HydrophobicContact CD1-CD2 4.06Å |
| 89 | H | 95.6 | Very high | 92.7 | Very high | 20 Ų | 20 | 13.4 Ų | 13.4 | 9% | 0.093 | 9% | 0.087 | C | C | . | . | B | Isolated β-bridge | trans | -86.8 | 123.5 | -167 | -170.1 | -161.1 | 0 | 0 | 0 | 111.5 | Y50 P51 Y52 M53 T91 T201 | Y50-H89 HydrophobicContact CD2-CB 3.38Å; Y50-H89 AromaticContact CD2-CG 3.55Å; Y50-H89 AromaticContact CD2-ND1 3.92Å; Y50-H89 HydrophobicContact CE2-CB 3.81Å; Y50-H89 AromaticContact CE2-CD2 3.57Å; Y50-H89 AromaticContact CE2-CG 3.45Å; Y50-H89 VanDerWaalsContact CE2-CG 3.45Å; Y50-H89 AromaticContact CE2-ND1 3.74Å; Y50-H89 AromaticContact CE2-NE2 3.97Å; Y50-H89 HydrophobicContact CG-CB 3.9Å; P51-H89 WeakPolarHBondContact O-CA 3.33Å; P51-H89 VanDerWaalsContact O-CB 3.23Å; P51-H89 WeakPolarHBondContact O-CB 3.25Å; P51-H89 PolarHBondContact O-N 3.01Å; Y52-H89 CarbonylContact C-O 3.38Å; Y52-H89 WeakPolarHBondContact CA-O 3.32Å; Y52-H89 HydrophobicContact CD2-CB 4.26Å; Y52-H89 AromaticContact CD2-CG 3.89Å; Y52-H89 AromaticContact CD2-ND1 3.66Å; M53-H89 WeakPolarHBondContact CB-O 3.39Å; M53-H89 WeakPolarHBondContact CG-O 3.45Å; M53-H89 PolarHBondContact N-O 3.24Å; H89-T91 PolarHBondContact CE1-O 3.37Å; H89-T91 WeakPolarHBondContact NE2-CB 3.47Å; H89-T91 PolarHBondContact NE2-O 3.39Å; H89-T201 PolarHBondContact CD2-OG1 2.98Å |
| 90 | C | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -123.8 | -14.9 | -180 | -64 | 0 | 0 | 0 | 0 | 113.1 | Y52 G92 L175 T201 T202 | Y52-C90 PolarHBondContact OH-O 2.93Å; C90-G92 PolarHBondContact O-N 3.13Å; C90-L175 HydrophobicContact CB-CD2 3.29Å; C90-L175 WeakPolarHBondContact SG-CD2 3.17Å; C90-T201 PolarHBondContact N-OG1 3.21Å; C90-T202 HydrophobicContact CB-CG2 3.82Å | ||
| 91 | T | 92.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -65.9 | 116.4 | 177.3 | -55.1 | 0 | 0 | 0 | 0 | 109.4 | Y52 H89 T201 L578 S592 D595 | Y52-T91 VanDerWaalsContact CE2-O 3.22Å; Y52-T91 WeakPolarHBondContact CE2-O 3.42Å; H89-T91 PolarHBondContact CE1-O 3.37Å; H89-T91 WeakPolarHBondContact NE2-CB 3.47Å; H89-T91 PolarHBondContact NE2-O 3.39Å; T91-T201 PolarHBondContact N-OG1 2.83Å; T91-T201 WeakPolarHBondContact OG1-CB 3.37Å; T91-T201 PolarHBondContact OG1-OG1 3.21Å; T91-L578 WeakPolarHBondContact CA-O 3.47Å; T91-L578 WeakPolarHBondContact CG2-O 2.98Å; T91-S592 WeakPolarHBondContact O-CB 3.34Å; T91-D595 WeakPolarHBondContact CB-OD2 3.31Å; T91-D595 WeakPolarHBondContact CG2-OD2 3.25Å; T91-D595 PolarHBondContact OG1-OD2 3.47Å | ||
| 92 | G | 87.4 | Confident | 91.6 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.01 | 7% | 0.073 | C | C | . | . | B | Isolated β-bridge | trans | 165.3 | 168.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y52 C90 G577 L578 | Y52-G92 WeakPolarHBondContact OH-CA 3.36Å; C90-G92 PolarHBondContact O-N 3.13Å; G92-G577 WeakPolarHBondContact O-CA 3.47Å; G92-L578 PolarHBondContact N-O 3.23Å; G92-L578 PolarHBondContact O-N 2.98Å |
| 93 | T | 83.2 | Confident | 91.3 | Very high | 11 Ų | 11 | 15.2 Ų | 15.2 | 7% | 0.067 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -87.7 | -27.1 | 168.5 | 56.6 | 0 | 0 | 0 | 0 | 115.1 | I95 L96 A97 E246 Y576 | T93-I95 PolarHBondContact O-N 3.03Å; T93-L96 PolarHBondContact O-N 3.23Å; T93-A97 VanDerWaalsContact O-CB 3.29Å; T93-A97 WeakPolarHBondContact O-CB 3.05Å; T93-A97 PolarHBondContact O-N 2.94Å; T93-E246 WeakPolarHBondContact CB-OE1 3.46Å; T93-E246 WeakPolarHBondContact CG2-OE1 3.08Å; T93-E246 VanDerWaalsContact OG1-CD 3.27Å; T93-E246 PolarHBondContact OG1-OE1 2.99Å; T93-Y576 HydrophobicContact CG2-CD1 3.67Å; T93-Y576 HydrophobicContact CG2-CE1 4.1Å; T93-Y576 WeakPolarHBondContact CG2-O 3.42Å |
| 94 | P | 84.6 | Confident | 90.8 | Very high | 11 Ų | 11 | 21.3 Ų | 21.3 | 7% | 0.071 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.2 | -35.2 | -170.4 | -24 | 31.6 | 0 | 0 | 0 | 115.4 | Y52 S98 | Y52-P94 HydrophobicContact CE1-CB 3.8Å; Y52-P94 HydrophobicContact CE1-CG 3.89Å; Y52-P94 WeakPolarHBondContact OH-CD 3.12Å; P94-S98 WeakPolarHBondContact O-CB 3.27Å; P94-S98 PolarHBondContact O-N 3.45Å; P94-S98 PolarHBondContact O-OG 2.88Å |
| 95 | I | 90.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.8 | -54.9 | 176 | -72.3 | 170.1 | 0 | 0 | 0 | 109.9 | Y52 N54 T93 A97 S98 A99 P171 W174 L175 L578 | Y52-I95 HydrophobicContact CE1-CD1 4.11Å; Y52-I95 HydrophobicContact CE1-CG1 3.84Å; N54-I95 HydrophobicContact CB-CG1 4.11Å; T93-I95 PolarHBondContact O-N 3.03Å; I95-A97 VanDerWaalsContact C-N 3.34Å; I95-A97 PolarHBondContact O-N 2.78Å; I95-S98 PolarHBondContact O-N 2.84Å; I95-S98 VanDerWaalsContact O-N 3.11Å; I95-A99 PolarHBondContact O-N 3.08Å; I95-P171 HydrophobicContact CG2-CB 4.19Å; I95-W174 HydrophobicContact CD1-CB 4.46Å; I95-W174 HydrophobicContact CG1-CB 4.49Å; I95-W174 HydrophobicContact CG1-CE3 4.35Å; I95-W174 HydrophobicContact CG2-CB 3.63Å; I95-W174 HydrophobicContact CG2-CD2 3.99Å; I95-W174 HydrophobicContact CG2-CG 3.56Å; I95-L175 HydrophobicContact CD1-CD2 4.4Å; I95-L578 HydrophobicContact CB-CD1 4.08Å; I95-L578 HydrophobicContact CG2-CD1 3.72Å |
| 96 | L | 88.9 | Confident | 90.1 | Very high | 29 Ų | 29 | 22.2 Ų | 22.2 | 15% | 0.152 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.7 | -43.8 | -179.3 | -175.1 | 60.9 | 0 | 0 | 0 | 111.6 | T93 S98 A99 D100 P171 Y576 L578 | T93-L96 PolarHBondContact O-N 3.23Å; L96-S98 VanDerWaalsContact C-N 3.27Å; L96-S98 PolarHBondContact O-N 3.23Å; L96-A99 PolarHBondContact O-N 3.39Å; L96-D100 WeakPolarHBondContact O-CB 3.43Å; L96-D100 PolarHBondContact O-N 2.7Å; L96-P171 HydrophobicContact CD1-CB 4.17Å; L96-P171 HydrophobicContact CD1-CG 3.94Å; L96-Y576 HydrophobicContact CD2-CD2 3.83Å; L96-Y576 HydrophobicContact CD2-CE1 4.31Å; L96-Y576 HydrophobicContact CD2-CE2 3.39Å; L96-Y576 HydrophobicContact CD2-CG 4.45Å; L96-Y576 HydrophobicContact CG-CE2 3.85Å; L96-L578 HydrophobicContact CB-CG 4.39Å |
| 97 | A | 83.6 | Confident | 89.8 | Confident | 30 Ų | 30 | 31.2 Ų | 31.2 | 25% | 0.248 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.3 | -34.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | T93 I95 K101 Y576 | T93-A97 VanDerWaalsContact O-CB 3.29Å; T93-A97 WeakPolarHBondContact O-CB 3.05Å; T93-A97 PolarHBondContact O-N 2.94Å; I95-A97 VanDerWaalsContact C-N 3.34Å; I95-A97 PolarHBondContact O-N 2.78Å; A97-K101 WeakPolarHBondContact O-CB 3.46Å; A97-K101 VanDerWaalsContact O-CG 3.24Å; A97-K101 WeakPolarHBondContact O-CG 3.43Å; A97-K101 PolarHBondContact O-N 2.86Å; A97-K101 VanDerWaalsContact O-N 3.11Å; A97-Y576 VanDerWaalsContact CA-OH 3.27Å; A97-Y576 WeakPolarHBondContact CA-OH 3.25Å; A97-Y576 PolarHBondContact N-OH 3.48Å |
| 98 | S | 86.8 | Confident | 89.4 | Confident | 16 Ų | 16 | 37.2 Ų | 37.2 | 11% | 0.112 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.1 | -42.1 | 175.7 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | P94 I95 L96 K101 L102 | P94-S98 WeakPolarHBondContact O-CB 3.27Å; P94-S98 PolarHBondContact O-N 3.45Å; P94-S98 PolarHBondContact O-OG 2.88Å; I95-S98 PolarHBondContact O-N 2.84Å; I95-S98 VanDerWaalsContact O-N 3.11Å; L96-S98 VanDerWaalsContact C-N 3.27Å; L96-S98 PolarHBondContact O-N 3.23Å; S98-K101 PolarHBondContact O-N 2.74Å; S98-L102 WeakPolarHBondContact O-CG 3.42Å; S98-L102 PolarHBondContact O-N 3.06Å |
| 99 | A | 90.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.5 | -43.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I95 L96 L102 S103 F168 P171 | I95-A99 PolarHBondContact O-N 3.08Å; L96-A99 PolarHBondContact O-N 3.39Å; A99-L102 PolarHBondContact O-N 3.27Å; A99-S103 PolarHBondContact O-N 3.08Å; A99-S103 PolarHBondContact O-OG 3.43Å; A99-S103 VanDerWaalsContact O-OG 3.11Å; A99-F168 WeakPolarHBondContact CA-O 3.45Å; A99-F168 WeakPolarHBondContact CB-O 3.23Å; A99-P171 HydrophobicContact CB-CB 4.28Å |
| 100 | D | 87.3 | Confident | 88.8 | Confident | 74 Ų | 74 | 40 Ų | 40 | 40% | 0.396 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.2 | -39.3 | 176.9 | -75.3 | -10 | 0 | 0 | 0 | 112 | L96 S103 R104 Y576 | L96-D100 WeakPolarHBondContact O-CB 3.43Å; L96-D100 PolarHBondContact O-N 2.7Å; D100-S103 PolarHBondContact O-N 3.02Å; D100-R104 WeakPolarHBondContact O-CB 3.39Å; D100-R104 PolarHBondContact O-N 3.44Å; D100-Y576 PolarHBondContact OD2-OH 2.91Å; D100-Y576 VanDerWaalsContact OD2-OH 3.06Å |
| 101 | K | 85.9 | Confident | 88.3 | Confident | 72 Ų | 72 | 43.1 Ų | 43.1 | 31% | 0.313 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 173 | -78.4 | 175.1 | -176.6 | -176 | 0 | 111.6 | A97 S98 S103 R104 E105 Q151 | A97-K101 WeakPolarHBondContact O-CB 3.46Å; A97-K101 VanDerWaalsContact O-CG 3.24Å; A97-K101 WeakPolarHBondContact O-CG 3.43Å; A97-K101 PolarHBondContact O-N 2.86Å; A97-K101 VanDerWaalsContact O-N 3.11Å; S98-K101 PolarHBondContact O-N 2.74Å; K101-S103 VanDerWaalsContact C-N 3.32Å; K101-S103 PolarHBondContact O-N 3.23Å; K101-R104 PolarHBondContact O-N 3.38Å; K101-E105 WeakPolarHBondContact O-CB 3Å; K101-E105 VanDerWaalsContact O-CG 3.29Å; K101-E105 WeakPolarHBondContact O-CG 3.2Å; K101-E105 PolarHBondContact O-N 2.78Å; K101-Q151 HydrophobicContact CB-CB 3.9Å; K101-Q151 HydrophobicContact CB-CG 4.27Å; K101-Q151 HydrophobicContact CD-CB 4.48Å |
| 102 | L | 90.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.4 | -40.2 | 176.4 | -68 | 165.5 | 0 | 0 | 0 | 111.7 | S98 A99 R104 E105 C106 Q151 W152 M155 I165 F168 K169 W174 | S98-L102 WeakPolarHBondContact O-CG 3.42Å; S98-L102 PolarHBondContact O-N 3.06Å; A99-L102 PolarHBondContact O-N 3.27Å; L102-R104 VanDerWaalsContact C-N 3.34Å; L102-E105 PolarHBondContact O-N 2.72Å; L102-C106 VanDerWaalsContact O-CB 3.26Å; L102-C106 WeakPolarHBondContact O-CB 3.45Å; L102-C106 PolarHBondContact O-N 2.99Å; L102-C106 PolarHBondContact O-SG 2.77Å; L102-Q151 HydrophobicContact CD1-CG 4.38Å; L102-Q151 HydrophobicContact CD2-CB 4.05Å; L102-Q151 HydrophobicContact CD2-CG 3.78Å; L102-Q151 HydrophobicContact CG-CB 4.29Å; L102-Q151 HydrophobicContact CG-CG 3.72Å; L102-W152 HydrophobicContact CD2-CB 4.25Å; L102-W152 HydrophobicContact CD2-CE3 3.95Å; L102-M155 HydrophobicContact CD1-SD 3.45Å; L102-M155 WeakPolarHBondContact CD1-SD 3.1Å; L102-M155 HydrophobicContact CD2-SD 4.03Å; L102-M155 HydrophobicContact CG-SD 4.29Å; L102-I165 HydrophobicContact CD2-CG2 4.06Å; L102-F168 HydrophobicContact CD1-CB 3.64Å; L102-K169 HydrophobicContact CB-CG 3.91Å; L102-W174 HydrophobicContact CD1-CZ2 4.13Å |
| 103 | S | 91.5 | Very high | 88 | Confident | 46 Ų | 46 | 47 Ų | 47 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 177.3 | -68.7 | 0 | 0 | 0 | 0 | 111.6 | A99 D100 K101 K107 K169 | A99-S103 PolarHBondContact O-N 3.08Å; A99-S103 PolarHBondContact O-OG 3.43Å; A99-S103 VanDerWaalsContact O-OG 3.11Å; D100-S103 PolarHBondContact O-N 3.02Å; K101-S103 VanDerWaalsContact C-N 3.32Å; K101-S103 PolarHBondContact O-N 3.23Å; S103-K107 WeakPolarHBondContact O-CB 3.46Å; S103-K107 PolarHBondContact O-N 3.34Å; S103-K107 VanDerWaalsContact O-N 3.08Å; S103-K169 WeakPolarHBondContact OG-CB 3.48Å |
| 104 | R | 86.8 | Confident | 88.1 | Confident | 129 Ų | 129 | 52.2 Ų | 52.2 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66 | -49.6 | 174.7 | -175.4 | 179.2 | 64.9 | -150.6 | -2 | 112 | D100 K101 L102 C106 K107 E108 | D100-R104 WeakPolarHBondContact O-CB 3.39Å; D100-R104 PolarHBondContact O-N 3.44Å; K101-R104 PolarHBondContact O-N 3.38Å; L102-R104 VanDerWaalsContact C-N 3.34Å; R104-C106 VanDerWaalsContact C-N 3.27Å; R104-C106 PolarHBondContact O-N 2.85Å; R104-K107 WeakPolarHBondContact O-CB 3.35Å; R104-K107 PolarHBondContact O-N 3.28Å; R104-K107 VanDerWaalsContact O-N 3.07Å; R104-E108 WeakPolarHBondContact O-CB 3.32Å; R104-E108 PolarHBondContact O-N 2.63Å |
| 105 | E | 90.1 | Very high | 88.1 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.8 | -42.3 | 177.9 | -73.5 | 169 | -165.4 | 0 | 0 | 111.2 | K101 L102 K107 E108 F109 F115 F150 Q151 W152 | K101-E105 WeakPolarHBondContact O-CB 3Å; K101-E105 VanDerWaalsContact O-CG 3.29Å; K101-E105 WeakPolarHBondContact O-CG 3.2Å; K101-E105 PolarHBondContact O-N 2.78Å; L102-E105 PolarHBondContact O-N 2.72Å; E105-K107 VanDerWaalsContact C-N 3.32Å; E105-K107 PolarHBondContact O-N 3.41Å; E105-E108 PolarHBondContact O-N 2.89Å; E105-F109 WeakPolarHBondContact O-CD2 3.47Å; E105-F109 PolarHBondContact O-N 3.28Å; E105-F115 HydrophobicContact CB-CE1 4.29Å; E105-F115 HydrophobicContact CG-CE1 4.2Å; E105-F150 HydrophobicContact CG-CD1 4.11Å; E105-Q151 WeakPolarHBondContact OE1-CB 3.5Å; E105-Q151 PolarHBondContact OE1-N 2.96Å; E105-Q151 PolarHBondContact OE2-N 2.95Å; E105-W152 WeakPolarHBondContact OE2-CB 3.49Å; E105-W152 PolarHBondContact OE2-N 2.95Å |
| 106 | C | 90.6 | Very high | 87.4 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 10% | 0.101 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64 | -36.5 | 176 | -73.7 | 0 | 0 | 0 | 0 | 113.6 | L102 R104 G110 C111 W152 K169 | L102-C106 VanDerWaalsContact O-CB 3.26Å; L102-C106 WeakPolarHBondContact O-CB 3.45Å; L102-C106 PolarHBondContact O-N 2.99Å; L102-C106 PolarHBondContact O-SG 2.77Å; R104-C106 VanDerWaalsContact C-N 3.27Å; R104-C106 PolarHBondContact O-N 2.85Å; C106-G110 VanDerWaalsContact CA-O 3.23Å; C106-G110 WeakPolarHBondContact CA-O 3.42Å; C106-G110 CarbonylContact O-C 3.59Å; C106-G110 VanDerWaalsContact O-C 3.31Å; C106-G110 VanDerWaalsContact O-CA 3.28Å; C106-G110 WeakPolarHBondContact O-CA 3.28Å; C106-G110 PolarHBondContact O-N 3.17Å; C106-G110 VanDerWaalsContact O-N 3.15Å; C106-C111 HydrophobicContact CB-CB 4.04Å; C106-C111 VanDerWaalsContact SG-SG 3.66Å; C106-W152 VanDerWaalsContact SG-CZ3 3.55Å; C106-K169 HydrophobicContact CB-CD 3.98Å |
| 107 | K | 89.9 | Confident | 86.2 | Confident | 191 Ų | 191 | 60.1 Ų | 60.1 | 83% | 0.83 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -72.6 | -35.6 | 179.3 | -175.4 | 179.9 | 178.2 | -177.9 | 0 | 111.7 | S103 R104 E105 | S103-K107 WeakPolarHBondContact O-CB 3.46Å; S103-K107 PolarHBondContact O-N 3.34Å; S103-K107 VanDerWaalsContact O-N 3.08Å; R104-K107 WeakPolarHBondContact O-CB 3.35Å; R104-K107 PolarHBondContact O-N 3.28Å; R104-K107 VanDerWaalsContact O-N 3.07Å; E105-K107 VanDerWaalsContact C-N 3.32Å; E105-K107 PolarHBondContact O-N 3.41Å |
| 108 | E | 89.1 | Confident | 84.7 | Confident | 128 Ų | 128 | 67 Ų | 67 | 60% | 0.598 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -87.2 | -38.1 | -174.7 | -167.3 | 173.9 | 173.8 | 0 | 0 | 112.9 | R104 E105 | R104-E108 WeakPolarHBondContact O-CB 3.32Å; R104-E108 PolarHBondContact O-N 2.63Å; E105-E108 PolarHBondContact O-N 2.89Å |
| 109 | F | 90.7 | Very high | 82.8 | Confident | 45 Ų | 45 | 67 Ų | 67 | 20% | 0.197 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -118.9 | 1.7 | -171.6 | -53.1 | -67.7 | 0 | 0 | 0 | 114.4 | E105 P113 V114 F115 P116 F150 | E105-F109 WeakPolarHBondContact O-CD2 3.47Å; E105-F109 PolarHBondContact O-N 3.28Å; F109-P113 HydrophobicContact CB-CB 3.62Å; F109-P113 WeakPolarHBondContact O-CA 3.33Å; F109-V114 PolarHBondContact O-N 3.37Å; F109-F115 HydrophobicContact CB-CD1 4.37Å; F109-F115 HydrophobicContact CB-CE1 4.48Å; F109-F115 AromaticContact CD2-CD1 3.62Å; F109-F115 HydrophobicContact CD2-CD1 3.62Å; F109-F115 AromaticContact CD2-CE1 3.57Å; F109-F115 HydrophobicContact CD2-CE1 3.57Å; F109-F115 HydrophobicContact CE2-CD1 4.02Å; F109-F115 HydrophobicContact CE2-CE1 4.1Å; F109-F115 AromaticContact CG-CD1 3.92Å; F109-F115 HydrophobicContact CG-CD1 3.92Å; F109-F115 HydrophobicContact CG-CE1 4.19Å; F109-P116 HydrophobicContact CD1-CG 4.42Å; F109-P116 HydrophobicContact CE1-CG 3.9Å; F109-F150 AromaticContact CE2-CE1 3.89Å; F109-F150 HydrophobicContact CE2-CE1 3.89Å; F109-F150 HydrophobicContact CE2-CZ 4.48Å; F109-F150 HydrophobicContact CZ-CE1 4.31Å |
| 110 | G | 88.1 | Confident | 80.6 | Confident | 33 Ų | 33 | 71 Ų | 71 | 34% | 0.34 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | 175.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | C106 P112 P113 | C106-G110 VanDerWaalsContact CA-O 3.23Å; C106-G110 WeakPolarHBondContact CA-O 3.42Å; C106-G110 CarbonylContact O-C 3.59Å; C106-G110 VanDerWaalsContact O-C 3.31Å; C106-G110 VanDerWaalsContact O-CA 3.28Å; C106-G110 WeakPolarHBondContact O-CA 3.28Å; C106-G110 PolarHBondContact O-N 3.17Å; C106-G110 VanDerWaalsContact O-N 3.15Å; G110-P112 VanDerWaalsContact C-C 3.45Å; G110-P112 CarbonylContact C-O 3.56Å; G110-P112 VanDerWaalsContact C-O 3.28Å; G110-P112 CarbonylContact O-C 3.41Å; G110-P112 VanDerWaalsContact O-C 3.25Å; G110-P113 WeakPolarHBondContact O-CA 3.5Å; G110-P113 WeakPolarHBondContact O-CB 3.46Å |
| 111 | C | 86.2 | Confident | 78.2 | Confident | 65 Ų | 65 | 74.7 Ų | 74.7 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.5 | 96 | -176.1 | -174.7 | 0 | 0 | 0 | 0 | 110.1 | C106 | C106-C111 HydrophobicContact CB-CB 4.04Å; C106-C111 VanDerWaalsContact SG-SG 3.66Å |
| 112 | P | 86.8 | Confident | 75.9 | Confident | 70 Ų | 70 | 75.4 Ų | 75.4 | 46% | 0.455 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -69.5 | 149.6 | 7.6 | 29.1 | -35.3 | 0 | 0 | 0 | 113.6 | G110 W152 N162 | G110-P112 VanDerWaalsContact C-C 3.45Å; G110-P112 CarbonylContact C-O 3.56Å; G110-P112 VanDerWaalsContact C-O 3.28Å; G110-P112 CarbonylContact O-C 3.41Å; G110-P112 VanDerWaalsContact O-C 3.25Å; P112-W152 HydrophobicContact CB-CH2 4.37Å; P112-W152 HydrophobicContact CB-CZ2 3.65Å; P112-N162 HydrophobicContact CB-CB 4.23Å |
| 113 | P | 87.1 | Confident | 73.3 | Confident | 14 Ų | 14 | 80.3 Ų | 80.3 | 9% | 0.091 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 135.7 | -178.2 | 28.5 | -33.1 | 0 | 0 | 0 | 112.2 | F109 G110 F115 W152 | F109-P113 HydrophobicContact CB-CB 3.62Å; F109-P113 WeakPolarHBondContact O-CA 3.33Å; G110-P113 WeakPolarHBondContact O-CA 3.5Å; G110-P113 WeakPolarHBondContact O-CB 3.46Å; P113-F115 HydrophobicContact CB-CD1 4.34Å; P113-F115 HydrophobicContact CB-CE1 3.71Å; P113-F115 HydrophobicContact CB-CE2 4Å; P113-F115 HydrophobicContact CB-CZ 3.52Å; P113-F115 HydrophobicContact CG-CE1 4.03Å; P113-F115 HydrophobicContact CG-CE2 3.63Å; P113-F115 HydrophobicContact CG-CZ 3.3Å; P113-W152 HydrophobicContact CG-CB 3.71Å; P113-W152 HydrophobicContact CG-CD2 3.51Å; P113-W152 HydrophobicContact CG-CE3 3.91Å; P113-W152 HydrophobicContact CG-CG 3.39Å |
| 114 | V | 84.8 | Confident | 70.4 | Confident | 120 Ų | 120 | 82.6 Ų | 82.6 | 73% | 0.727 | 47% | 0.47 | S | S | * | . | trans | -103 | 97.2 | 170.2 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | F109 | F109-V114 PolarHBondContact O-N 3.37Š| ||
| 115 | F | 83.6 | Confident | 67.7 | Low | 34 Ų | 34 | 83.6 Ų | 83.6 | 15% | 0.149 | 49% | 0.485 | C | S | . | . | trans | -74.8 | 144.4 | -175.7 | -59.4 | -65.2 | 0 | 0 | 0 | 112.5 | E105 F109 P113 F150 W152 Q153 | E105-F115 HydrophobicContact CB-CE1 4.29Å; E105-F115 HydrophobicContact CG-CE1 4.2Å; F109-F115 HydrophobicContact CB-CD1 4.37Å; F109-F115 HydrophobicContact CB-CE1 4.48Å; F109-F115 AromaticContact CD2-CD1 3.62Å; F109-F115 HydrophobicContact CD2-CD1 3.62Å; F109-F115 AromaticContact CD2-CE1 3.57Å; F109-F115 HydrophobicContact CD2-CE1 3.57Å; F109-F115 HydrophobicContact CE2-CD1 4.02Å; F109-F115 HydrophobicContact CE2-CE1 4.1Å; F109-F115 AromaticContact CG-CD1 3.92Å; F109-F115 HydrophobicContact CG-CD1 3.92Å; F109-F115 HydrophobicContact CG-CE1 4.19Å; P113-F115 HydrophobicContact CB-CD1 4.34Å; P113-F115 HydrophobicContact CB-CE1 3.71Å; P113-F115 HydrophobicContact CB-CE2 4Å; P113-F115 HydrophobicContact CB-CZ 3.52Å; P113-F115 HydrophobicContact CG-CE1 4.03Å; P113-F115 HydrophobicContact CG-CE2 3.63Å; P113-F115 HydrophobicContact CG-CZ 3.3Å; F115-F150 HydrophobicContact CB-CD2 4.1Å; F115-F150 HydrophobicContact CB-CE2 3.74Å; F115-F150 HydrophobicContact CB-CZ 4.31Å; F115-F150 HydrophobicContact CD1-CB 4.32Å; F115-F150 AromaticContact CD1-CD1 3.63Å; F115-F150 HydrophobicContact CD1-CD1 3.63Å; F115-F150 AromaticContact CD1-CD2 3.46Å; F115-F150 HydrophobicContact CD1-CD2 3.46Å; F115-F150 VanDerWaalsContact CD1-CD2 3.46Å; F115-F150 AromaticContact CD1-CE1 3.63Å; F115-F150 HydrophobicContact CD1-CE1 3.63Å; F115-F150 AromaticContact CD1-CE2 3.48Å; F115-F150 HydrophobicContact CD1-CE2 3.48Å; F115-F150 VanDerWaalsContact CD1-CE2 3.48Å; F115-F150 AromaticContact CD1-CG 3.52Å; F115-F150 HydrophobicContact CD1-CG 3.52Å; F115-F150 AromaticContact CD1-CZ 3.55Å; F115-F150 HydrophobicContact CD1-CZ 3.55Å; F115-F150 HydrophobicContact CD2-CB 4.42Å; F115-F150 AromaticContact CD2-CD2 3.82Å; F115-F150 HydrophobicContact CD2-CD2 3.82Å; F115-F150 HydrophobicContact CD2-CE2 4.34Å; F115-F150 HydrophobicContact CD2-CG 4.21Å; F115-F150 HydrophobicContact CE1-CB 3.68Å; F115-F150 AromaticContact CE1-CD1 3.31Å; F115-F150 HydrophobicContact CE1-CD1 3.31Å; F115-F150 AromaticContact CE1-CD2 3.73Å; F115-F150 HydrophobicContact CE1-CD2 3.73Å; F115-F150 AromaticContact CE1-CE1 3.77Å; F115-F150 HydrophobicContact CE1-CE1 3.77Å; F115-F150 HydrophobicContact CE1-CE2 4.15Å; F115-F150 AromaticContact CE1-CG 3.27Å; F115-F150 HydrophobicContact CE1-CG 3.27Å; F115-F150 HydrophobicContact CE1-CZ 4.15Å; F115-F150 HydrophobicContact CE2-CB 3.81Å; F115-F150 HydrophobicContact CE2-CD2 4.07Å; F115-F150 HydrophobicContact CE2-CG 4Å; F115-F150 HydrophobicContact CG-CD1 4.49Å; F115-F150 AromaticContact CG-CD2 3.5Å; F115-F150 HydrophobicContact CG-CD2 3.5Å; F115-F150 AromaticContact CG-CE2 3.58Å; F115-F150 HydrophobicContact CG-CE2 3.58Å; F115-F150 AromaticContact CG-CG 3.98Å; F115-F150 HydrophobicContact CG-CG 3.98Å; F115-F150 HydrophobicContact CG-CZ 4.11Å; F115-F150 HydrophobicContact CZ-CB 3.38Å; F115-F150 AromaticContact CZ-CD1 3.98Å; F115-F150 HydrophobicContact CZ-CD1 3.98Å; F115-F150 HydrophobicContact CZ-CD2 4.02Å; F115-F150 AromaticContact CZ-CG 3.53Å; F115-F150 HydrophobicContact CZ-CG 3.53Å; F115-W152 HydrophobicContact CE2-CB 4.02Å; F115-W152 HydrophobicContact CZ-CB 3.78Å; F115-Q153 HydrophobicContact CD2-CG 4.1Å; F115-Q153 HydrophobicContact CE2-CG 3.83Å | ||
| 116 | P | 76.7 | Confident | 64.9 | Low | 59 Ų | 59 | 89.8 Ų | 89.8 | 38% | 0.383 | 52% | 0.517 | S | S | . | . | trans | -60.5 | 142.7 | 176 | -20.2 | 30.6 | 0 | 0 | 0 | 112 | F109 E118 A119 | F109-P116 HydrophobicContact CD1-CG 4.42Å; F109-P116 HydrophobicContact CE1-CG 3.9Å; P116-E118 VanDerWaalsContact C-N 3.31Å; P116-E118 PolarHBondContact O-N 3.42Å; P116-A119 HydrophobicContact CB-CB 4.31Å; P116-A119 VanDerWaalsContact O-CB 3.3Å; P116-A119 WeakPolarHBondContact O-CB 3.46Å; P116-A119 PolarHBondContact O-N 3.01Å | ||
| 117 | P | 63.4 | Low | 61.9 | Low | 112 Ų | 112 | 97.8 Ų | 97.8 | 73% | 0.727 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -58.6 | -39.8 | -179.6 | 10.8 | -18.1 | 0 | 0 | 0 | 113 | A119 S120 | P117-A119 PolarHBondContact O-N 2.91Å; P117-S120 PolarHBondContact O-N 3.46Å; P117-S120 VanDerWaalsContact O-N 3.15Å; P117-S120 PolarHBondContact O-OG 3.01Å |
| 118 | E | 53.1 | Low | 58.8 | Low | 176 Ų | 176 | 92.9 Ų | 92.9 | 82% | 0.822 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -63.6 | -20.7 | 176.6 | -67.8 | 177.9 | 174.4 | 0 | 0 | 113.1 | P116 S120 | P116-E118 VanDerWaalsContact C-N 3.31Å; P116-E118 PolarHBondContact O-N 3.42Å; E118-S120 PolarHBondContact O-N 2.82Å |
| 119 | A | 47 | Very low | 55.9 | Low | 15 Ų | 15 | 93.1 Ų | 93.1 | 12% | 0.124 | 56% | 0.558 | C | S | . | * | G | 310 helix | trans | -77.6 | -7.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P116 P117 K149 F150 | P116-A119 HydrophobicContact CB-CB 4.31Å; P116-A119 VanDerWaalsContact O-CB 3.3Å; P116-A119 WeakPolarHBondContact O-CB 3.46Å; P116-A119 PolarHBondContact O-N 3.01Å; P117-A119 PolarHBondContact O-N 2.91Å; A119-K149 WeakPolarHBondContact O-CD 3.48Å; A119-F150 HydrophobicContact CB-CE2 3.66Å; A119-F150 HydrophobicContact CB-CZ 3.66Å |
| 120 | S | 44 | Very low | 52.8 | Low | 85 Ų | 85 | 97.1 Ų | 97.1 | 59% | 0.594 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -87 | -9.8 | 177.2 | 67 | 0 | 0 | 0 | 0 | 114.2 | P117 E118 | P117-S120 PolarHBondContact O-N 3.46Å; P117-S120 VanDerWaalsContact O-N 3.15Å; P117-S120 PolarHBondContact O-OG 3.01Å; E118-S120 PolarHBondContact O-N 2.82Å |
| 121 | E | 36.2 | Very low | 50 | Low | 150 Ų | 150 | 100.8 Ų | 100.8 | 70% | 0.701 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -80.1 | 134.8 | 174.6 | -68.6 | -163.7 | 168.5 | 0 | 0 | 111.6 | ||
| 122 | P | 38.3 | Very low | 47.4 | Very low | 87 Ų | 87 | 102.6 Ų | 102.6 | 57% | 0.565 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 147.3 | -178.9 | 27.4 | -30.6 | 0 | 0 | 0 | 111.7 | A124 | P122-A124 PolarHBondContact O-N 3.12Š|
| 123 | S | 34.5 | Very low | 44.6 | Very low | 103 Ų | 103 | 109.2 Ų | 109.2 | 72% | 0.72 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 126.1 | 168.8 | 47.7 | 0 | 0 | 0 | 0 | 110.4 | D125 | S123-D125 VanDerWaalsContact C-N 3.29Å; S123-D125 PolarHBondContact O-N 3.16Å |
| 124 | A | 32.4 | Very low | 42 | Very low | 94 Ų | 94 | 112 Ų | 112 | 78% | 0.777 | 68% | 0.681 | S | S | * | * | trans | -77 | -8.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P122 I126 | P122-A124 PolarHBondContact O-N 3.12Å; A124-I126 PolarHBondContact O-N 3.01Å | ||
| 125 | D | 28.1 | Very low | 39.4 | Very low | 150 Ų | 150 | 116.6 Ų | 116.6 | 80% | 0.802 | 69% | 0.69 | S | S | * | * | trans | -96.4 | 44.3 | -163.2 | -66.5 | -28.9 | 0 | 0 | 0 | 115.5 | S123 | S123-D125 VanDerWaalsContact C-N 3.29Å; S123-D125 PolarHBondContact O-N 3.16Å | ||
| 126 | I | 32.1 | Very low | 36.9 | Very low | 140 Ų | 140 | 118.9 Ų | 118.9 | 72% | 0.718 | 71% | 0.711 | S | S | * | * | trans | -117.1 | 94.8 | 163.9 | -53.1 | -179.9 | 0 | 0 | 0 | 108.6 | A124 | A124-I126 PolarHBondContact O-N 3.01Š| ||
| 127 | E | 27.5 | Very low | 34.7 | Very low | 183 Ų | 183 | 125.8 Ų | 125.8 | 86% | 0.855 | 74% | 0.735 | S | S | * | * | trans | -52.4 | 139.7 | 178.4 | -71.6 | -173.7 | 149.8 | 0 | 0 | 112.2 | V129 | E127-V129 PolarHBondContact O-N 3.41Š| ||
| 128 | A | 25.3 | Very low | 32.9 | Very low | 88 Ų | 88 | 129.8 Ų | 129.8 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -68.7 | 108.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T130 | A128-T130 PolarHBondContact O-N 3.1Å; A128-T130 VanDerWaalsContact O-N 3.17Å | ||
| 129 | V | 28.3 | Very low | 31.9 | Very low | 133 Ų | 133 | 124.8 Ų | 124.8 | 81% | 0.806 | 73% | 0.725 | S | S | * | * | trans | -71 | 105 | 153.7 | -179 | 0 | 0 | 0 | 0 | 106.8 | E127 P131 | E127-V129 PolarHBondContact O-N 3.41Å; V129-P131 WeakPolarHBondContact O-CD 3.28Å | ||
| 130 | T | 25.4 | Very low | 31 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -65.9 | 118.1 | 179.4 | 42.9 | 0 | 0 | 0 | 0 | 112.2 | A128 | A128-T130 PolarHBondContact O-N 3.1Å; A128-T130 VanDerWaalsContact O-N 3.17Å | ||
| 131 | P | 29.6 | Very low | 30.3 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | trans | -112.2 | 150.3 | 167.5 | 7.3 | 18.1 | 0 | 0 | 0 | 111.3 | V129 | V129-P131 WeakPolarHBondContact O-CD 3.28Š| ||
| 132 | A | 31.4 | Very low | 30 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | trans | -57.5 | 159.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 133 | Q | 28.7 | Very low | 29.9 | Very low | 208 Ų | 208 | 126.6 Ų | 126.6 | 97% | 0.972 | 74% | 0.737 | S | S | * | * | trans | -48.3 | 122.5 | -175 | -64.5 | 168.1 | -15.7 | 0 | 0 | 114.6 | ||||
| 134 | G | 32.4 | Very low | 29.8 | Very low | 74 Ų | 74 | 129.3 Ų | 129.3 | 76% | 0.763 | 74% | 0.736 | S | S | * | * | trans | -172 | 129.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S136 | G134-S136 PolarHBondContact O-N 2.58Š| ||
| 135 | K | 29.7 | Very low | 29.9 | Very low | 215 Ų | 215 | 128.3 Ų | 128.3 | 94% | 0.935 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -62.4 | 115.5 | -167.7 | -65 | 168.4 | 176.5 | 173 | 0 | 114.2 | ||
| 136 | S | 30.1 | Very low | 30.3 | Very low | 82 Ų | 82 | 124.1 Ų | 124.1 | 57% | 0.573 | 72% | 0.72 | S | S | * | * | trans | 174.8 | 93.2 | 137 | 50.7 | 0 | 0 | 0 | 0 | 111.6 | G134 K138 | G134-S136 PolarHBondContact O-N 2.58Å; S136-K138 VanDerWaalsContact C-N 3.32Å; S136-K138 PolarHBondContact O-N 2.91Å | ||
| 137 | K | 30.8 | Very low | 31.1 | Very low | 204 Ų | 204 | 120.6 Ų | 120.6 | 89% | 0.887 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -71.6 | -18.3 | 178.8 | -83.9 | -175.9 | 174.1 | -178.4 | 0 | 114.5 | ||
| 138 | K | 26.8 | Very low | 32.5 | Very low | 197 Ų | 197 | 113.7 Ų | 113.7 | 86% | 0.857 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -87.5 | -23 | -172 | -79.7 | -172.5 | 174.7 | -176.7 | 0 | 115.4 | S136 | S136-K138 VanDerWaalsContact C-N 3.32Å; S136-K138 PolarHBondContact O-N 2.91Å |
| 139 | S | 32.3 | Very low | 34.4 | Very low | 71 Ų | 71 | 116.2 Ų | 116.2 | 50% | 0.497 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -86.2 | -32.4 | -178.2 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | A143 | S139-A143 PolarHBondContact O-N 2.66Å |
| 140 | K | 27.4 | Very low | 36.9 | Very low | 158 Ų | 158 | 111.1 Ų | 111.1 | 69% | 0.687 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -78.5 | -29.6 | -176.6 | -91.1 | -175.3 | 175.4 | 179.3 | 0 | 115.2 | V142 A143 K144 | K140-V142 VanDerWaalsContact C-N 3.3Å; K140-V142 PolarHBondContact O-N 3.05Å; K140-A143 PolarHBondContact O-N 3.43Å; K140-K144 PolarHBondContact O-N 3.49Å |
| 141 | A | 29.3 | Very low | 39.7 | Very low | 74 Ų | 74 | 106.2 Ų | 106.2 | 61% | 0.612 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.7 | -38 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 142 | V | 29.9 | Very low | 42.6 | Very low | 111 Ų | 111 | 101 Ų | 101 | 67% | 0.673 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.6 | -36 | 173.2 | -177.2 | 0 | 0 | 0 | 0 | 111.1 | K140 K144 A145 | K140-V142 VanDerWaalsContact C-N 3.3Å; K140-V142 PolarHBondContact O-N 3.05Å; V142-K144 VanDerWaalsContact C-N 3.3Å; V142-K144 PolarHBondContact O-N 3.06Å; V142-A145 PolarHBondContact O-N 3.42Å |
| 143 | A | 35.4 | Very low | 45.2 | Very low | 31 Ų | 31 | 98.8 Ų | 98.8 | 26% | 0.256 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.8 | -26.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S139 K140 | S139-A143 PolarHBondContact O-N 2.66Å; K140-A143 PolarHBondContact O-N 3.43Å |
| 144 | K | 33.3 | Very low | 47.7 | Very low | 160 Ų | 160 | 91.8 Ų | 91.8 | 70% | 0.696 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -84 | -17.6 | 175.3 | -85.6 | -164.7 | 172.8 | -166 | 0 | 114 | K140 V142 | K140-K144 PolarHBondContact O-N 3.49Å; V142-K144 VanDerWaalsContact C-N 3.3Å; V142-K144 PolarHBondContact O-N 3.06Å |
| 145 | A | 33.8 | Very low | 50.3 | Low | 73 Ų | 73 | 88.3 Ų | 88.3 | 60% | 0.603 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -86.7 | -6.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V142 | V142-A145 PolarHBondContact O-N 3.42Š|
| 146 | G | 37.9 | Very low | 52.9 | Low | 63 Ų | 63 | 82 Ų | 82 | 65% | 0.649 | 47% | 0.467 | S | S | * | . | trans | -121 | 19.5 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | A148 | G146-A148 PolarHBondContact O-N 2.83Å; G146-A148 VanDerWaalsContact O-N 3.15Å | ||
| 147 | G | 47.1 | Very low | 55.2 | Low | 66 Ų | 66 | 82.2 Ų | 82.2 | 68% | 0.68 | 47% | 0.468 | S | S | * | . | trans | -70.4 | 107.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110 | K149 | G147-K149 PolarHBondContact O-N 3.19Š| ||
| 148 | A | 57.4 | Low | 57.4 | Low | 38 Ų | 38 | 75.8 Ų | 75.8 | 31% | 0.314 | 44% | 0.443 | S | S | . | . | trans | -55.2 | 114.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | G146 Q153 I154 | G146-A148 PolarHBondContact O-N 2.83Å; G146-A148 VanDerWaalsContact O-N 3.15Å; A148-Q153 HydrophobicContact CB-CB 3.69Å; A148-I154 HydrophobicContact CB-CG1 3.67Å | ||
| 149 | K | 65.9 | Low | 59.8 | Low | 140 Ų | 140 | 69.8 Ų | 69.8 | 61% | 0.609 | 44% | 0.437 | S | S | * | . | trans | -76.8 | -31.7 | -176.8 | -171.5 | -179.8 | -176.6 | 175.1 | 0 | 111.8 | A119 G147 | A119-K149 WeakPolarHBondContact O-CD 3.48Å; G147-K149 PolarHBondContact O-N 3.19Å | ||
| 150 | F | 81 | Confident | 62.4 | Low | 27 Ų | 27 | 67.3 Ų | 67.3 | 12% | 0.118 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -100.6 | 145.6 | -176.2 | -62.6 | -76.9 | 0 | 0 | 0 | 111.7 | E105 F109 F115 A119 W152 Q153 I154 | E105-F150 HydrophobicContact CG-CD1 4.11Å; F109-F150 AromaticContact CE2-CE1 3.89Å; F109-F150 HydrophobicContact CE2-CE1 3.89Å; F109-F150 HydrophobicContact CE2-CZ 4.48Å; F109-F150 HydrophobicContact CZ-CE1 4.31Å; F115-F150 HydrophobicContact CB-CD2 4.1Å; F115-F150 HydrophobicContact CB-CE2 3.74Å; F115-F150 HydrophobicContact CB-CZ 4.31Å; F115-F150 HydrophobicContact CD1-CB 4.32Å; F115-F150 AromaticContact CD1-CD1 3.63Å; F115-F150 HydrophobicContact CD1-CD1 3.63Å; F115-F150 AromaticContact CD1-CD2 3.46Å; F115-F150 HydrophobicContact CD1-CD2 3.46Å; F115-F150 VanDerWaalsContact CD1-CD2 3.46Å; F115-F150 AromaticContact CD1-CE1 3.63Å; F115-F150 HydrophobicContact CD1-CE1 3.63Å; F115-F150 AromaticContact CD1-CE2 3.48Å; F115-F150 HydrophobicContact CD1-CE2 3.48Å; F115-F150 VanDerWaalsContact CD1-CE2 3.48Å; F115-F150 AromaticContact CD1-CG 3.52Å; F115-F150 HydrophobicContact CD1-CG 3.52Å; F115-F150 AromaticContact CD1-CZ 3.55Å; F115-F150 HydrophobicContact CD1-CZ 3.55Å; F115-F150 HydrophobicContact CD2-CB 4.42Å; F115-F150 AromaticContact CD2-CD2 3.82Å; F115-F150 HydrophobicContact CD2-CD2 3.82Å; F115-F150 HydrophobicContact CD2-CE2 4.34Å; F115-F150 HydrophobicContact CD2-CG 4.21Å; F115-F150 HydrophobicContact CE1-CB 3.68Å; F115-F150 AromaticContact CE1-CD1 3.31Å; F115-F150 HydrophobicContact CE1-CD1 3.31Å; F115-F150 AromaticContact CE1-CD2 3.73Å; F115-F150 HydrophobicContact CE1-CD2 3.73Å; F115-F150 AromaticContact CE1-CE1 3.77Å; F115-F150 HydrophobicContact CE1-CE1 3.77Å; F115-F150 HydrophobicContact CE1-CE2 4.15Å; F115-F150 AromaticContact CE1-CG 3.27Å; F115-F150 HydrophobicContact CE1-CG 3.27Å; F115-F150 HydrophobicContact CE1-CZ 4.15Å; F115-F150 HydrophobicContact CE2-CB 3.81Å; F115-F150 HydrophobicContact CE2-CD2 4.07Å; F115-F150 HydrophobicContact CE2-CG 4Å; F115-F150 HydrophobicContact CG-CD1 4.49Å; F115-F150 AromaticContact CG-CD2 3.5Å; F115-F150 HydrophobicContact CG-CD2 3.5Å; F115-F150 AromaticContact CG-CE2 3.58Å; F115-F150 HydrophobicContact CG-CE2 3.58Å; F115-F150 AromaticContact CG-CG 3.98Å; F115-F150 HydrophobicContact CG-CG 3.98Å; F115-F150 HydrophobicContact CG-CZ 4.11Å; F115-F150 HydrophobicContact CZ-CB 3.38Å; F115-F150 AromaticContact CZ-CD1 3.98Å; F115-F150 HydrophobicContact CZ-CD1 3.98Å; F115-F150 HydrophobicContact CZ-CD2 4.02Å; F115-F150 AromaticContact CZ-CG 3.53Å; F115-F150 HydrophobicContact CZ-CG 3.53Å; A119-F150 HydrophobicContact CB-CE2 3.66Å; A119-F150 HydrophobicContact CB-CZ 3.66Å; F150-W152 VanDerWaalsContact C-N 3.25Å; F150-W152 PolarHBondContact O-N 2.93Å; F150-Q153 HydrophobicContact CB-CG 4.35Å; F150-Q153 PolarHBondContact O-N 2.83Å; F150-I154 WeakPolarHBondContact O-CG1 3.43Å; F150-I154 PolarHBondContact O-N 2.8Å; F150-I154 VanDerWaalsContact O-N 3.17Å |
| 151 | Q | 83.7 | Confident | 65.3 | Low | 24 Ų | 24 | 66 Ų | 66 | 11% | 0.112 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.8 | -38.3 | 178.9 | -174 | 62 | 32.9 | 0 | 0 | 111 | K101 L102 E105 Q153 I154 M155 | K101-Q151 HydrophobicContact CB-CB 3.9Å; K101-Q151 HydrophobicContact CB-CG 4.27Å; K101-Q151 HydrophobicContact CD-CB 4.48Å; L102-Q151 HydrophobicContact CD1-CG 4.38Å; L102-Q151 HydrophobicContact CD2-CB 4.05Å; L102-Q151 HydrophobicContact CD2-CG 3.78Å; L102-Q151 HydrophobicContact CG-CB 4.29Å; L102-Q151 HydrophobicContact CG-CG 3.72Å; E105-Q151 WeakPolarHBondContact OE1-CB 3.5Å; E105-Q151 PolarHBondContact OE1-N 2.96Å; E105-Q151 PolarHBondContact OE2-N 2.95Å; Q151-Q153 PolarHBondContact O-N 3.31Å; Q151-I154 WeakPolarHBondContact O-CB 3.37Å; Q151-I154 PolarHBondContact O-N 2.99Å; Q151-M155 WeakPolarHBondContact O-CG 3.38Å; Q151-M155 PolarHBondContact O-N 2.67Å |
| 152 | W | 89.8 | Confident | 68.2 | Low | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.008 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -56.3 | -49.5 | 175.9 | -166.8 | -81.9 | 0 | 0 | 0 | 112.6 | L102 E105 C106 P112 P113 F115 F150 I154 M155 E156 N162 I165 A166 | L102-W152 HydrophobicContact CD2-CB 4.25Å; L102-W152 HydrophobicContact CD2-CE3 3.95Å; E105-W152 WeakPolarHBondContact OE2-CB 3.49Å; E105-W152 PolarHBondContact OE2-N 2.95Å; C106-W152 VanDerWaalsContact SG-CZ3 3.55Å; P112-W152 HydrophobicContact CB-CH2 4.37Å; P112-W152 HydrophobicContact CB-CZ2 3.65Å; P113-W152 HydrophobicContact CG-CB 3.71Å; P113-W152 HydrophobicContact CG-CD2 3.51Å; P113-W152 HydrophobicContact CG-CE3 3.91Å; P113-W152 HydrophobicContact CG-CG 3.39Å; F115-W152 HydrophobicContact CE2-CB 4.02Å; F115-W152 HydrophobicContact CZ-CB 3.78Å; F150-W152 VanDerWaalsContact C-N 3.25Å; F150-W152 PolarHBondContact O-N 2.93Å; W152-I154 VanDerWaalsContact C-N 3.28Å; W152-I154 PolarHBondContact O-N 3.06Å; W152-M155 WeakPolarHBondContact O-CA 3.28Å; W152-M155 WeakPolarHBondContact O-CB 3.18Å; W152-M155 PolarHBondContact O-N 3.01Å; W152-E156 PolarHBondContact NE1-OE1 3.49Å; W152-E156 PolarHBondContact O-N 3.07Å; W152-N162 WeakPolarHBondContact CH2-O 3.47Å; W152-N162 HydrophobicContact CZ2-CB 4.01Å; W152-N162 WeakPolarHBondContact CZ2-O 3.45Å; W152-N162 WeakPolarHBondContact CZ2-OD1 3.4Å; W152-N162 PolarHBondContact NE1-OD1 3.47Å; W152-I165 HydrophobicContact CD2-CB 4.36Å; W152-I165 HydrophobicContact CD2-CG2 3.52Å; W152-I165 HydrophobicContact CE3-CB 4.41Å; W152-I165 HydrophobicContact CE3-CG2 3.44Å; W152-I165 VanDerWaalsContact CE3-CG2 3.44Å; W152-I165 HydrophobicContact CG-CG2 4.2Å; W152-I165 HydrophobicContact CH2-CB 3.9Å; W152-I165 HydrophobicContact CH2-CG2 3.82Å; W152-I165 HydrophobicContact CZ2-CB 3.84Å; W152-I165 HydrophobicContact CZ2-CG2 3.89Å; W152-I165 HydrophobicContact CZ3-CB 4.19Å; W152-I165 HydrophobicContact CZ3-CG2 3.59Å; W152-A166 HydrophobicContact CH2-CB 4.07Å |
| 153 | Q | 85.7 | Confident | 71.1 | Confident | 56 Ų | 56 | 65.3 Ų | 65.3 | 26% | 0.262 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.4 | -34.3 | 178.7 | -68.8 | 176.4 | -28.2 | 0 | 0 | 112.1 | F115 A148 F150 Q151 M155 E156 S157 | F115-Q153 HydrophobicContact CD2-CG 4.1Å; F115-Q153 HydrophobicContact CE2-CG 3.83Å; A148-Q153 HydrophobicContact CB-CB 3.69Å; F150-Q153 HydrophobicContact CB-CG 4.35Å; F150-Q153 PolarHBondContact O-N 2.83Å; Q151-Q153 PolarHBondContact O-N 3.31Å; Q153-M155 VanDerWaalsContact C-N 3.31Å; Q153-E156 PolarHBondContact O-N 3.37Å; Q153-S157 PolarHBondContact O-N 3.15Å |
| 154 | I | 82.2 | Confident | 73.8 | Confident | 62 Ų | 62 | 66.3 Ų | 66.3 | 32% | 0.318 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 173.2 | -64.5 | 169 | 0 | 0 | 0 | 109.7 | A148 F150 Q151 W152 S157 L158 | A148-I154 HydrophobicContact CB-CG1 3.67Å; F150-I154 WeakPolarHBondContact O-CG1 3.43Å; F150-I154 PolarHBondContact O-N 2.8Å; F150-I154 VanDerWaalsContact O-N 3.17Å; Q151-I154 WeakPolarHBondContact O-CB 3.37Å; Q151-I154 PolarHBondContact O-N 2.99Å; W152-I154 VanDerWaalsContact C-N 3.28Å; W152-I154 PolarHBondContact O-N 3.06Å; I154-S157 WeakPolarHBondContact O-CB 3.29Å; I154-S157 PolarHBondContact O-N 3.01Å; I154-S157 PolarHBondContact O-OG 3.18Å; I154-L158 PolarHBondContact O-N 3.16Å |
| 155 | M | 86.3 | Confident | 76.6 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.7 | -38.7 | 178.2 | -59.5 | -159.7 | 71.2 | 0 | 0 | 112.8 | L102 Q151 W152 Q153 S157 L158 M160 I165 F168 W174 | L102-M155 HydrophobicContact CD1-SD 3.45Å; L102-M155 WeakPolarHBondContact CD1-SD 3.1Å; L102-M155 HydrophobicContact CD2-SD 4.03Å; L102-M155 HydrophobicContact CG-SD 4.29Å; Q151-M155 WeakPolarHBondContact O-CG 3.38Å; Q151-M155 PolarHBondContact O-N 2.67Å; W152-M155 WeakPolarHBondContact O-CA 3.28Å; W152-M155 WeakPolarHBondContact O-CB 3.18Å; W152-M155 PolarHBondContact O-N 3.01Å; Q153-M155 VanDerWaalsContact C-N 3.31Å; M155-S157 PolarHBondContact O-N 3.42Å; M155-L158 WeakPolarHBondContact O-CB 3Å; M155-L158 PolarHBondContact O-N 2.8Å; M155-M160 HydrophobicContact CB-SD 4.35Å; M155-M160 HydrophobicContact CE-CE 4.31Å; M155-M160 HydrophobicContact CE-SD 3.43Å; M155-M160 WeakPolarHBondContact CE-SD 3.2Å; M155-I165 HydrophobicContact CB-CD1 3.93Å; M155-I165 HydrophobicContact CB-CG1 3.87Å; M155-I165 HydrophobicContact CB-CG2 3.92Å; M155-I165 HydrophobicContact CG-CG2 4.41Å; M155-I165 HydrophobicContact SD-CG2 3.99Å; M155-F168 HydrophobicContact CE-CB 3.8Å; M155-F168 HydrophobicContact CE-CD1 3.72Å; M155-F168 HydrophobicContact CE-CD2 3.27Å; M155-F168 HydrophobicContact CE-CE1 3.98Å; M155-F168 HydrophobicContact CE-CE2 3.54Å; M155-F168 HydrophobicContact CE-CG 3.32Å; M155-F168 HydrophobicContact CE-CZ 3.87Å; M155-F168 HydrophobicContact SD-CB 3.94Å; M155-F168 HydrophobicContact SD-CD2 4.31Å; M155-F168 HydrophobicContact SD-CG 4.15Å; M155-W174 HydrophobicContact CE-CH2 3.97Å; M155-W174 HydrophobicContact CE-CZ2 4.13Å; M155-W174 HydrophobicContact SD-CH2 4.09Å; M155-W174 HydrophobicContact SD-CZ2 4.05Å |
| 156 | E | 84.9 | Confident | 79.4 | Confident | 83 Ų | 83 | 56.4 Ų | 56.4 | 39% | 0.388 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.1 | -39.8 | 170.8 | -70.2 | 179.1 | 136.9 | 0 | 0 | 111.2 | W152 Q153 L158 G159 N162 I165 | W152-E156 PolarHBondContact NE1-OE1 3.49Å; W152-E156 PolarHBondContact O-N 3.07Å; Q153-E156 PolarHBondContact O-N 3.37Å; E156-L158 PolarHBondContact O-N 3.02Å; E156-G159 WeakPolarHBondContact O-CA 3.39Å; E156-G159 PolarHBondContact O-N 3.11Å; E156-N162 PolarHBondContact OE1-OD1 3.4Å; E156-I165 HydrophobicContact CB-CD1 4.28Å; E156-I165 HydrophobicContact CG-CD1 3.46Å; E156-I165 VanDerWaalsContact CG-CD1 3.46Å |
| 157 | S | 78.5 | Confident | 82.1 | Confident | 86 Ų | 86 | 58.6 Ų | 58.6 | 60% | 0.601 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -16.2 | 176.5 | 83.5 | 0 | 0 | 0 | 0 | 114.1 | Q153 I154 M155 | Q153-S157 PolarHBondContact O-N 3.15Å; I154-S157 WeakPolarHBondContact O-CB 3.29Å; I154-S157 PolarHBondContact O-N 3.01Å; I154-S157 PolarHBondContact O-OG 3.18Å; M155-S157 PolarHBondContact O-N 3.42Å |
| 158 | L | 77.4 | Confident | 84.4 | Confident | 68 Ų | 68 | 55.4 Ų | 55.4 | 36% | 0.356 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 1.1 | 170.9 | -58.1 | 177.1 | 0 | 0 | 0 | 112.7 | I154 M155 E156 M160 F178 K725 | I154-L158 PolarHBondContact O-N 3.16Å; M155-L158 WeakPolarHBondContact O-CB 3Å; M155-L158 PolarHBondContact O-N 2.8Å; E156-L158 PolarHBondContact O-N 3.02Å; L158-M160 HydrophobicContact CB-CE 4.29Å; L158-M160 HydrophobicContact CB-CG 4.39Å; L158-M160 HydrophobicContact CD1-CE 4.16Å; L158-F178 HydrophobicContact CD1-CZ 4.44Å; L158-K725 VanDerWaalsContact CD2-NZ 3.33Å |
| 159 | G | 77.7 | Confident | 86.1 | Confident | 71 Ų | 71 | 57 Ų | 57 | 73% | 0.732 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 19 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E156 | E156-G159 WeakPolarHBondContact O-CA 3.39Å; E156-G159 PolarHBondContact O-N 3.11Å |
| 160 | M | 85.7 | Confident | 87.4 | Confident | 19 Ų | 19 | 54.4 Ų | 54.4 | 9% | 0.094 | 30% | 0.295 | C | S | . | . | trans | -86.3 | 142.6 | -179.9 | -62.4 | 178 | 178.4 | 0 | 0 | 111.6 | M155 L158 I165 F168 F177 F178 | M155-M160 HydrophobicContact CB-SD 4.35Å; M155-M160 HydrophobicContact CE-CE 4.31Å; M155-M160 HydrophobicContact CE-SD 3.43Å; M155-M160 WeakPolarHBondContact CE-SD 3.2Å; L158-M160 HydrophobicContact CB-CE 4.29Å; L158-M160 HydrophobicContact CB-CG 4.39Å; L158-M160 HydrophobicContact CD1-CE 4.16Å; M160-I165 HydrophobicContact CB-CD1 4.11Å; M160-I165 HydrophobicContact CB-CG1 3.65Å; M160-F168 HydrophobicContact CE-CE2 4.19Å; M160-F168 HydrophobicContact CE-CZ 3.89Å; M160-F168 HydrophobicContact SD-CD2 4.38Å; M160-F168 HydrophobicContact SD-CE2 3.56Å; M160-F168 VanDerWaalsContact SD-CE2 3.56Å; M160-F168 HydrophobicContact SD-CZ 3.88Å; M160-F177 HydrophobicContact CE-CD1 4.26Å; M160-F177 HydrophobicContact CE-CE1 3.46Å; M160-F177 VanDerWaalsContact CE-CE1 3.46Å; M160-F177 HydrophobicContact CE-CZ 4.04Å; M160-F178 HydrophobicContact CE-CE1 3.73Å; M160-F178 HydrophobicContact CE-CE2 4.43Å; M160-F178 HydrophobicContact CE-CZ 3.44Å; M160-F178 VanDerWaalsContact CE-CZ 3.44Å | ||
| 161 | E | 89.4 | Confident | 88 | Confident | 132 Ų | 132 | 54.4 Ų | 54.4 | 62% | 0.617 | 30% | 0.298 | S | S | * | . | trans | -80 | 151.2 | 175.3 | -67.4 | -171.3 | 171.6 | 0 | 0 | 112 | N163 E164 I165 | E161-N163 VanDerWaalsContact C-N 3.27Å; E161-N163 WeakPolarHBondContact CB-OD1 3.35Å; E161-N163 PolarHBondContact O-N 3.18Å; E161-N163 VanDerWaalsContact O-N 3.16Å; E161-E164 WeakPolarHBondContact O-CA 3.46Å; E161-E164 WeakPolarHBondContact O-CB 3.25Å; E161-E164 PolarHBondContact O-N 3.11Å; E161-I165 WeakPolarHBondContact O-CG1 3.49Å; E161-I165 PolarHBondContact O-N 3.43Å | ||
| 162 | N | 89.4 | Confident | 88.5 | Confident | 66 Ų | 66 | 55.8 Ų | 55.8 | 35% | 0.353 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -54.4 | -38 | -176.5 | -79.5 | -34.6 | 0 | 0 | 0 | 114.6 | P112 W152 E156 E164 A166 | P112-N162 HydrophobicContact CB-CB 4.23Å; W152-N162 WeakPolarHBondContact CH2-O 3.47Å; W152-N162 HydrophobicContact CZ2-CB 4.01Å; W152-N162 WeakPolarHBondContact CZ2-O 3.45Å; W152-N162 WeakPolarHBondContact CZ2-OD1 3.4Å; W152-N162 PolarHBondContact NE1-OD1 3.47Å; E156-N162 PolarHBondContact OE1-OD1 3.4Å; N162-E164 VanDerWaalsContact C-N 3.29Å; N162-E164 PolarHBondContact O-N 3.23Å; N162-A166 PolarHBondContact O-N 2.91Å; N162-A166 VanDerWaalsContact O-N 3.16Å |
| 163 | N | 90.2 | Very high | 88.8 | Confident | 104 Ų | 104 | 58 Ų | 58 | 56% | 0.556 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66.2 | -30.8 | 177.2 | 58.3 | -4.4 | 0 | 0 | 0 | 112.7 | E161 | E161-N163 VanDerWaalsContact C-N 3.27Å; E161-N163 WeakPolarHBondContact CB-OD1 3.35Å; E161-N163 PolarHBondContact O-N 3.18Å; E161-N163 VanDerWaalsContact O-N 3.16Å |
| 164 | E | 92.5 | Very high | 89.2 | Confident | 52 Ų | 52 | 55.5 Ų | 55.5 | 24% | 0.243 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -82.3 | -43.9 | 177.7 | -174.1 | 170 | -112.7 | 0 | 0 | 110.8 | E161 N162 A166 K167 F168 Y173 F177 | E161-E164 WeakPolarHBondContact O-CA 3.46Å; E161-E164 WeakPolarHBondContact O-CB 3.25Å; E161-E164 PolarHBondContact O-N 3.11Å; N162-E164 VanDerWaalsContact C-N 3.29Å; N162-E164 PolarHBondContact O-N 3.23Å; E164-A166 PolarHBondContact O-N 3.21Å; E164-K167 VanDerWaalsContact O-CB 3.31Å; E164-K167 WeakPolarHBondContact O-CB 3.37Å; E164-K167 PolarHBondContact O-N 3.5Å; E164-F168 HydrophobicContact CG-CE2 4.08Å; E164-F168 WeakPolarHBondContact O-CD2 3.46Å; E164-Y173 HydrophobicContact CG-CE1 4.27Å; E164-F177 HydrophobicContact CG-CE2 4.44Å; E164-F177 WeakPolarHBondContact OE1-CE2 3.23Å |
| 165 | I | 92.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.2 | -40.5 | 174.7 | -60.9 | 172.4 | 0 | 0 | 0 | 110.7 | L102 W152 M155 E156 M160 E161 K167 F168 | L102-I165 HydrophobicContact CD2-CG2 4.06Å; W152-I165 HydrophobicContact CD2-CB 4.36Å; W152-I165 HydrophobicContact CD2-CG2 3.52Å; W152-I165 HydrophobicContact CE3-CB 4.41Å; W152-I165 HydrophobicContact CE3-CG2 3.44Å; W152-I165 VanDerWaalsContact CE3-CG2 3.44Å; W152-I165 HydrophobicContact CG-CG2 4.2Å; W152-I165 HydrophobicContact CH2-CB 3.9Å; W152-I165 HydrophobicContact CH2-CG2 3.82Å; W152-I165 HydrophobicContact CZ2-CB 3.84Å; W152-I165 HydrophobicContact CZ2-CG2 3.89Å; W152-I165 HydrophobicContact CZ3-CB 4.19Å; W152-I165 HydrophobicContact CZ3-CG2 3.59Å; M155-I165 HydrophobicContact CB-CD1 3.93Å; M155-I165 HydrophobicContact CB-CG1 3.87Å; M155-I165 HydrophobicContact CB-CG2 3.92Å; M155-I165 HydrophobicContact CG-CG2 4.41Å; M155-I165 HydrophobicContact SD-CG2 3.99Å; E156-I165 HydrophobicContact CB-CD1 4.28Å; E156-I165 HydrophobicContact CG-CD1 3.46Å; E156-I165 VanDerWaalsContact CG-CD1 3.46Å; M160-I165 HydrophobicContact CB-CD1 4.11Å; M160-I165 HydrophobicContact CB-CG1 3.65Å; E161-I165 WeakPolarHBondContact O-CG1 3.49Å; E161-I165 PolarHBondContact O-N 3.43Å; I165-K167 PolarHBondContact O-N 3.03Å; I165-K167 VanDerWaalsContact O-N 3.12Å; I165-F168 WeakPolarHBondContact O-CB 3.35Å; I165-F168 PolarHBondContact O-N 2.85Å |
| 166 | A | 92.5 | Very high | 90.2 | Very high | 25 Ų | 25 | 58.5 Ų | 58.5 | 21% | 0.207 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -56.6 | -29.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | W152 N162 E164 F168 K169 | W152-A166 HydrophobicContact CH2-CB 4.07Å; N162-A166 PolarHBondContact O-N 2.91Å; N162-A166 VanDerWaalsContact O-N 3.16Å; E164-A166 PolarHBondContact O-N 3.21Å; A166-F168 VanDerWaalsContact C-N 3.34Å; A166-K169 WeakPolarHBondContact O-CE 3.34Å; A166-K169 WeakPolarHBondContact O-CG 3.09Å |
| 167 | K | 95.3 | Very high | 90.7 | Very high | 108 Ų | 108 | 56.4 Ų | 56.4 | 47% | 0.47 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -73.8 | -26.1 | 179.3 | -60 | 174 | -173.5 | 168.2 | 0 | 112.3 | E164 I165 K169 D170 Y173 | E164-K167 VanDerWaalsContact O-CB 3.31Å; E164-K167 WeakPolarHBondContact O-CB 3.37Å; E164-K167 PolarHBondContact O-N 3.5Å; I165-K167 PolarHBondContact O-N 3.03Å; I165-K167 VanDerWaalsContact O-N 3.12Å; K167-K169 PolarHBondContact O-N 2.96Å; K167-D170 PolarHBondContact O-N 3.5Å; K167-Y173 HydrophobicContact CB-CD1 3.48Å; K167-Y173 VanDerWaalsContact CB-CD1 3.48Å; K167-Y173 HydrophobicContact CB-CD2 4.19Å; K167-Y173 HydrophobicContact CB-CE1 3.56Å; K167-Y173 HydrophobicContact CB-CE2 4.29Å; K167-Y173 HydrophobicContact CB-CG 3.81Å; K167-Y173 HydrophobicContact CD-CD2 4.49Å; K167-Y173 HydrophobicContact CD-CE1 4.02Å; K167-Y173 HydrophobicContact CD-CE2 3.9Å; K167-Y173 HydrophobicContact CG-CE1 4.44Å; K167-Y173 WeakPolarHBondContact O-CB 3.45Å |
| 168 | F | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -72.5 | -2.9 | 178.6 | -71.9 | -84.3 | 0 | 0 | 0 | 114.2 | A99 L102 M155 M160 E164 I165 A166 D170 Y173 W174 F177 F178 | A99-F168 WeakPolarHBondContact CA-O 3.45Å; A99-F168 WeakPolarHBondContact CB-O 3.23Å; L102-F168 HydrophobicContact CD1-CB 3.64Å; M155-F168 HydrophobicContact CE-CB 3.8Å; M155-F168 HydrophobicContact CE-CD1 3.72Å; M155-F168 HydrophobicContact CE-CD2 3.27Å; M155-F168 HydrophobicContact CE-CE1 3.98Å; M155-F168 HydrophobicContact CE-CE2 3.54Å; M155-F168 HydrophobicContact CE-CG 3.32Å; M155-F168 HydrophobicContact CE-CZ 3.87Å; M155-F168 HydrophobicContact SD-CB 3.94Å; M155-F168 HydrophobicContact SD-CD2 4.31Å; M155-F168 HydrophobicContact SD-CG 4.15Å; M160-F168 HydrophobicContact CE-CE2 4.19Å; M160-F168 HydrophobicContact CE-CZ 3.89Å; M160-F168 HydrophobicContact SD-CD2 4.38Å; M160-F168 HydrophobicContact SD-CE2 3.56Å; M160-F168 VanDerWaalsContact SD-CE2 3.56Å; M160-F168 HydrophobicContact SD-CZ 3.88Å; E164-F168 HydrophobicContact CG-CE2 4.08Å; E164-F168 WeakPolarHBondContact O-CD2 3.46Å; I165-F168 WeakPolarHBondContact O-CB 3.35Å; I165-F168 PolarHBondContact O-N 2.85Å; A166-F168 VanDerWaalsContact C-N 3.34Å; F168-D170 PolarHBondContact O-N 3.08Å; F168-Y173 AromaticContact CD1-CD1 3.8Å; F168-Y173 HydrophobicContact CD1-CD1 3.8Å; F168-Y173 HydrophobicContact CD1-CE1 4.38Å; F168-Y173 AromaticContact CD2-CD1 3.87Å; F168-Y173 HydrophobicContact CD2-CD1 3.87Å; F168-Y173 AromaticContact CD2-CE1 3.85Å; F168-Y173 HydrophobicContact CD2-CE1 3.85Å; F168-Y173 AromaticContact CE1-CD1 3.92Å; F168-Y173 HydrophobicContact CE1-CD1 3.92Å; F168-Y173 HydrophobicContact CE1-CE1 4.17Å; F168-Y173 HydrophobicContact CE2-CD1 4Å; F168-Y173 AromaticContact CE2-CE1 3.63Å; F168-Y173 HydrophobicContact CE2-CE1 3.63Å; F168-Y173 AromaticContact CG-CD1 3.82Å; F168-Y173 HydrophobicContact CG-CD1 3.82Å; F168-Y173 HydrophobicContact CG-CE1 4.28Å; F168-Y173 HydrophobicContact CZ-CD1 4.04Å; F168-Y173 AromaticContact CZ-CE1 3.81Å; F168-Y173 HydrophobicContact CZ-CE1 3.81Å; F168-W174 HydrophobicContact CB-CZ2 3.9Å; F168-W174 AromaticContact CD1-CD1 3.68Å; F168-W174 AromaticContact CD1-CD2 3.53Å; F168-W174 HydrophobicContact CD1-CD2 3.53Å; F168-W174 AromaticContact CD1-CE2 3.41Å; F168-W174 VanDerWaalsContact CD1-CE2 3.41Å; F168-W174 HydrophobicContact CD1-CE3 4.15Å; F168-W174 AromaticContact CD1-CG 3.71Å; F168-W174 HydrophobicContact CD1-CG 3.71Å; F168-W174 HydrophobicContact CD1-CH2 4.41Å; F168-W174 AromaticContact CD1-CZ2 3.88Å; F168-W174 HydrophobicContact CD1-CZ2 3.88Å; F168-W174 AromaticContact CD1-NE1 3.54Å; F168-W174 HydrophobicContact CE1-CD2 4.08Å; F168-W174 HydrophobicContact CE1-CE3 4.34Å; F168-W174 HydrophobicContact CE1-CG 4.25Å; F168-W174 HydrophobicContact CG-CZ2 4.24Å; F168-W174 PolarHBondContact O-NE1 2.95Å; F168-F177 HydrophobicContact CE1-CB 4.09Å; F168-F177 HydrophobicContact CE1-CD1 4.05Å; F168-F177 HydrophobicContact CE1-CG 4.15Å; F168-F177 HydrophobicContact CZ-CB 4.06Å; F168-F177 AromaticContact CZ-CD1 3.49Å; F168-F177 HydrophobicContact CZ-CD1 3.49Å; F168-F177 VanDerWaalsContact CZ-CD1 3.49Å; F168-F177 HydrophobicContact CZ-CD2 4.19Å; F168-F177 AromaticContact CZ-CE1 3.88Å; F168-F177 HydrophobicContact CZ-CE1 3.88Å; F168-F177 AromaticContact CZ-CG 3.63Å; F168-F177 HydrophobicContact CZ-CG 3.63Å; F168-F177 HydrophobicContact CZ-CZ 4.39Å; F168-F178 HydrophobicContact CD1-CE2 4.38Å; F168-F178 HydrophobicContact CE1-CD2 4.07Å; F168-F178 AromaticContact CE1-CE2 3.52Å; F168-F178 HydrophobicContact CE1-CE2 3.52Å; F168-F178 HydrophobicContact CE1-CZ 4.24Å; F168-F178 HydrophobicContact CZ-CE2 4.05Å; F168-F178 HydrophobicContact CZ-CZ 4.34Å |
| 169 | K | 92.8 | Very high | 92.4 | Very high | 72 Ų | 72 | 49.2 Ų | 49.2 | 31% | 0.313 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -60.1 | -27.7 | 162.3 | -70.5 | -173.9 | -68.8 | -172.4 | 0 | 112.4 | L102 S103 C106 A166 K167 | L102-K169 HydrophobicContact CB-CG 3.91Å; S103-K169 WeakPolarHBondContact OG-CB 3.48Å; C106-K169 HydrophobicContact CB-CD 3.98Å; A166-K169 WeakPolarHBondContact O-CE 3.34Å; A166-K169 WeakPolarHBondContact O-CG 3.09Å; K167-K169 PolarHBondContact O-N 2.96Å |
| 170 | D | 94.6 | Very high | 93.2 | Very high | 84 Ų | 84 | 48 Ų | 48 | 45% | 0.449 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -90.1 | 116.4 | 171.7 | 179.1 | 7.1 | 0 | 0 | 0 | 109.6 | K167 F168 E172 Y173 | K167-D170 PolarHBondContact O-N 3.5Å; F168-D170 PolarHBondContact O-N 3.08Å; D170-E172 PolarHBondContact O-N 2.83Å; D170-E172 WeakPolarHBondContact OD1-CB 3.39Å; D170-E172 PolarHBondContact OD1-N 2.8Å; D170-Y173 WeakPolarHBondContact O-CB 3.33Å; D170-Y173 PolarHBondContact O-N 2.91Å; D170-Y173 VanDerWaalsContact O-N 3.08Å |
| 171 | P | 93.1 | Very high | 93.7 | Very high | 27 Ų | 27 | 49 Ų | 49 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.6 | -30.4 | 177.4 | 24.1 | -34.3 | 0 | 0 | 0 | 113.1 | I95 L96 A99 Y173 W174 L578 | I95-P171 HydrophobicContact CG2-CB 4.19Å; L96-P171 HydrophobicContact CD1-CB 4.17Å; L96-P171 HydrophobicContact CD1-CG 3.94Å; A99-P171 HydrophobicContact CB-CB 4.28Å; P171-Y173 PolarHBondContact O-N 3.2Å; P171-W174 WeakPolarHBondContact O-CB 3.24Å; P171-W174 PolarHBondContact O-N 3.07Å; P171-W174 VanDerWaalsContact O-N 3.13Å; P171-L578 HydrophobicContact CB-CD1 4.24Å; P171-L578 HydrophobicContact CB-CD2 4.26Å |
| 172 | E | 93.4 | Very high | 94 | Very high | 53 Ų | 53 | 42.7 Ų | 42.7 | 25% | 0.248 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.9 | -26.3 | 177.9 | -77 | -70.6 | 135.8 | 0 | 0 | 112.8 | D170 W174 L175 R617 | D170-E172 PolarHBondContact O-N 2.83Å; D170-E172 WeakPolarHBondContact OD1-CB 3.39Å; D170-E172 PolarHBondContact OD1-N 2.8Å; E172-W174 VanDerWaalsContact C-N 3.31Å; E172-W174 PolarHBondContact O-N 2.92Å; E172-L175 WeakPolarHBondContact O-CB 3.49Å; E172-L175 PolarHBondContact O-N 3.12Å; E172-L175 WeakPolarHBondContact OE1-CD1 3.36Å; E172-R617 IonicContact OE2-NH2 2.77Å |
| 173 | Y | 96 | Very high | 94.4 | Very high | 48 Ų | 48 | 40.1 Ų | 40.1 | 19% | 0.188 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.8 | -34.3 | 177 | -171 | -115.1 | 0 | 0 | 0 | 111.8 | E164 K167 F168 D170 P171 L175 K176 F177 | E164-Y173 HydrophobicContact CG-CE1 4.27Å; K167-Y173 HydrophobicContact CB-CD1 3.48Å; K167-Y173 VanDerWaalsContact CB-CD1 3.48Å; K167-Y173 HydrophobicContact CB-CD2 4.19Å; K167-Y173 HydrophobicContact CB-CE1 3.56Å; K167-Y173 HydrophobicContact CB-CE2 4.29Å; K167-Y173 HydrophobicContact CB-CG 3.81Å; K167-Y173 HydrophobicContact CD-CD2 4.49Å; K167-Y173 HydrophobicContact CD-CE1 4.02Å; K167-Y173 HydrophobicContact CD-CE2 3.9Å; K167-Y173 HydrophobicContact CG-CE1 4.44Å; K167-Y173 WeakPolarHBondContact O-CB 3.45Å; F168-Y173 AromaticContact CD1-CD1 3.8Å; F168-Y173 HydrophobicContact CD1-CD1 3.8Å; F168-Y173 HydrophobicContact CD1-CE1 4.38Å; F168-Y173 AromaticContact CD2-CD1 3.87Å; F168-Y173 HydrophobicContact CD2-CD1 3.87Å; F168-Y173 AromaticContact CD2-CE1 3.85Å; F168-Y173 HydrophobicContact CD2-CE1 3.85Å; F168-Y173 AromaticContact CE1-CD1 3.92Å; F168-Y173 HydrophobicContact CE1-CD1 3.92Å; F168-Y173 HydrophobicContact CE1-CE1 4.17Å; F168-Y173 HydrophobicContact CE2-CD1 4Å; F168-Y173 AromaticContact CE2-CE1 3.63Å; F168-Y173 HydrophobicContact CE2-CE1 3.63Å; F168-Y173 AromaticContact CG-CD1 3.82Å; F168-Y173 HydrophobicContact CG-CD1 3.82Å; F168-Y173 HydrophobicContact CG-CE1 4.28Å; F168-Y173 HydrophobicContact CZ-CD1 4.04Å; F168-Y173 AromaticContact CZ-CE1 3.81Å; F168-Y173 HydrophobicContact CZ-CE1 3.81Å; D170-Y173 WeakPolarHBondContact O-CB 3.33Å; D170-Y173 PolarHBondContact O-N 2.91Å; D170-Y173 VanDerWaalsContact O-N 3.08Å; P171-Y173 PolarHBondContact O-N 3.2Å; Y173-L175 VanDerWaalsContact C-N 3.3Å; Y173-L175 PolarHBondContact O-N 3.49Å; Y173-K176 PolarHBondContact O-N 3.37Å; Y173-F177 HydrophobicContact CE1-CB 4.35Å; Y173-F177 HydrophobicContact CE1-CD2 4.21Å; Y173-F177 HydrophobicContact CE1-CG 4.47Å; Y173-F177 WeakPolarHBondContact O-CB 3.47Å; Y173-F177 PolarHBondContact O-N 3.31Å |
| 174 | W | 95.2 | Very high | 94.6 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 2% | 0.019 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.8 | -41.2 | 175.4 | -63.3 | 72 | 0 | 0 | 0 | 111.5 | N54 I95 L102 M155 F168 P171 E172 K176 F177 F178 P179 | N54-W174 HydrophobicContact CB-CE3 4.47Å; N54-W174 HydrophobicContact CB-CZ3 4.3Å; I95-W174 HydrophobicContact CD1-CB 4.46Å; I95-W174 HydrophobicContact CG1-CB 4.49Å; I95-W174 HydrophobicContact CG1-CE3 4.35Å; I95-W174 HydrophobicContact CG2-CB 3.63Å; I95-W174 HydrophobicContact CG2-CD2 3.99Å; I95-W174 HydrophobicContact CG2-CG 3.56Å; L102-W174 HydrophobicContact CD1-CZ2 4.13Å; M155-W174 HydrophobicContact CE-CH2 3.97Å; M155-W174 HydrophobicContact CE-CZ2 4.13Å; M155-W174 HydrophobicContact SD-CH2 4.09Å; M155-W174 HydrophobicContact SD-CZ2 4.05Å; F168-W174 HydrophobicContact CB-CZ2 3.9Å; F168-W174 AromaticContact CD1-CD1 3.68Å; F168-W174 AromaticContact CD1-CD2 3.53Å; F168-W174 HydrophobicContact CD1-CD2 3.53Å; F168-W174 AromaticContact CD1-CE2 3.41Å; F168-W174 VanDerWaalsContact CD1-CE2 3.41Å; F168-W174 HydrophobicContact CD1-CE3 4.15Å; F168-W174 AromaticContact CD1-CG 3.71Å; F168-W174 HydrophobicContact CD1-CG 3.71Å; F168-W174 HydrophobicContact CD1-CH2 4.41Å; F168-W174 AromaticContact CD1-CZ2 3.88Å; F168-W174 HydrophobicContact CD1-CZ2 3.88Å; F168-W174 AromaticContact CD1-NE1 3.54Å; F168-W174 HydrophobicContact CE1-CD2 4.08Å; F168-W174 HydrophobicContact CE1-CE3 4.34Å; F168-W174 HydrophobicContact CE1-CG 4.25Å; F168-W174 HydrophobicContact CG-CZ2 4.24Å; F168-W174 PolarHBondContact O-NE1 2.95Å; P171-W174 WeakPolarHBondContact O-CB 3.24Å; P171-W174 PolarHBondContact O-N 3.07Å; P171-W174 VanDerWaalsContact O-N 3.13Å; E172-W174 VanDerWaalsContact C-N 3.31Å; E172-W174 PolarHBondContact O-N 2.92Å; W174-K176 PolarHBondContact O-N 2.91Å; W174-K176 VanDerWaalsContact O-N 3.17Å; W174-F177 PolarHBondContact O-N 3.26Å; W174-F178 HydrophobicContact CD2-CE2 4.28Å; W174-F178 AromaticContact CE3-CD2 3.69Å; W174-F178 HydrophobicContact CE3-CD2 3.69Å; W174-F178 AromaticContact CE3-CE2 3.37Å; W174-F178 HydrophobicContact CE3-CE2 3.37Å; W174-F178 HydrophobicContact CH2-CE2 4.46Å; W174-F178 HydrophobicContact CZ3-CD2 4.22Å; W174-F178 AromaticContact CZ3-CE2 3.49Å; W174-F178 HydrophobicContact CZ3-CE2 3.49Å; W174-F178 VanDerWaalsContact CZ3-CE2 3.49Å; W174-F178 HydrophobicContact CZ3-CZ 4.31Å; W174-F178 PolarHBondContact O-N 3.07Å; W174-P179 WeakPolarHBondContact O-CD 3.43Å |
| 175 | L | 94.8 | Very high | 94.8 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.2 | -16.8 | -179.9 | -53.7 | -176.6 | 0 | 0 | 0 | 113.5 | C90 I95 E172 Y173 P179 I200 A204 L578 | C90-L175 HydrophobicContact CB-CD2 3.29Å; C90-L175 WeakPolarHBondContact SG-CD2 3.17Å; I95-L175 HydrophobicContact CD1-CD2 4.4Å; E172-L175 WeakPolarHBondContact O-CB 3.49Å; E172-L175 PolarHBondContact O-N 3.12Å; E172-L175 WeakPolarHBondContact OE1-CD1 3.36Å; Y173-L175 VanDerWaalsContact C-N 3.3Å; Y173-L175 PolarHBondContact O-N 3.49Å; L175-P179 VanDerWaalsContact O-CG 3.26Å; L175-P179 WeakPolarHBondContact O-CG 3.46Å; L175-I200 HydrophobicContact CB-CD1 4.07Å; L175-A204 HydrophobicContact CD1-CB 3.76Å; L175-L578 HydrophobicContact CD2-CD1 4.19Å |
| 176 | K | 94 | Very high | 95.1 | Very high | 118 Ų | 118 | 36.1 Ų | 36.1 | 51% | 0.513 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -101 | -44.2 | 176.5 | -64.1 | 175.6 | -173.3 | 168.9 | 0 | 111.2 | Y173 W174 A180 | Y173-K176 PolarHBondContact O-N 3.37Å; W174-K176 PolarHBondContact O-N 2.91Å; W174-K176 VanDerWaalsContact O-N 3.17Å; K176-A180 WeakPolarHBondContact O-CB 3.35Å |
| 177 | F | 95.2 | Very high | 95.2 | Very high | 39 Ų | 39 | 39.7 Ų | 39.7 | 17% | 0.171 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.6 | -58.7 | -169.6 | -173.6 | -89 | 0 | 0 | 0 | 113 | M160 E164 F168 Y173 W174 A180 L181 | M160-F177 HydrophobicContact CE-CD1 4.26Å; M160-F177 HydrophobicContact CE-CE1 3.46Å; M160-F177 VanDerWaalsContact CE-CE1 3.46Å; M160-F177 HydrophobicContact CE-CZ 4.04Å; E164-F177 HydrophobicContact CG-CE2 4.44Å; E164-F177 WeakPolarHBondContact OE1-CE2 3.23Å; F168-F177 HydrophobicContact CE1-CB 4.09Å; F168-F177 HydrophobicContact CE1-CD1 4.05Å; F168-F177 HydrophobicContact CE1-CG 4.15Å; F168-F177 HydrophobicContact CZ-CB 4.06Å; F168-F177 AromaticContact CZ-CD1 3.49Å; F168-F177 HydrophobicContact CZ-CD1 3.49Å; F168-F177 VanDerWaalsContact CZ-CD1 3.49Å; F168-F177 HydrophobicContact CZ-CD2 4.19Å; F168-F177 AromaticContact CZ-CE1 3.88Å; F168-F177 HydrophobicContact CZ-CE1 3.88Å; F168-F177 AromaticContact CZ-CG 3.63Å; F168-F177 HydrophobicContact CZ-CG 3.63Å; F168-F177 HydrophobicContact CZ-CZ 4.39Å; Y173-F177 HydrophobicContact CE1-CB 4.35Å; Y173-F177 HydrophobicContact CE1-CD2 4.21Å; Y173-F177 HydrophobicContact CE1-CG 4.47Å; Y173-F177 WeakPolarHBondContact O-CB 3.47Å; Y173-F177 PolarHBondContact O-N 3.31Å; W174-F177 PolarHBondContact O-N 3.26Å; F177-A180 PolarHBondContact O-N 3.21Å; F177-L181 HydrophobicContact CD1-CD1 3.89Å; F177-L181 HydrophobicContact CE1-CD1 3.32Å; F177-L181 HydrophobicContact CE1-CG 4.33Å; F177-L181 HydrophobicContact CZ-CD1 3.84Å; F177-L181 PolarHBondContact O-N 3.24Å |
| 178 | F | 95.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72.6 | -38.7 | -174.7 | -72.8 | -66.2 | 0 | 0 | 0 | 113.9 | M53 G55 L158 M160 F168 W174 A180 L181 A182 | M53-F178 HydrophobicContact CB-CB 4.42Å; M53-F178 WeakPolarHBondContact O-CB 3.49Å; G55-F178 VanDerWaalsContact C-CD1 3.49Å; G55-F178 VanDerWaalsContact CA-CE1 3.47Å; L158-F178 HydrophobicContact CD1-CZ 4.44Å; M160-F178 HydrophobicContact CE-CE1 3.73Å; M160-F178 HydrophobicContact CE-CE2 4.43Å; M160-F178 HydrophobicContact CE-CZ 3.44Å; M160-F178 VanDerWaalsContact CE-CZ 3.44Å; F168-F178 HydrophobicContact CD1-CE2 4.38Å; F168-F178 HydrophobicContact CE1-CD2 4.07Å; F168-F178 AromaticContact CE1-CE2 3.52Å; F168-F178 HydrophobicContact CE1-CE2 3.52Å; F168-F178 HydrophobicContact CE1-CZ 4.24Å; F168-F178 HydrophobicContact CZ-CE2 4.05Å; F168-F178 HydrophobicContact CZ-CZ 4.34Å; W174-F178 HydrophobicContact CD2-CE2 4.28Å; W174-F178 AromaticContact CE3-CD2 3.69Å; W174-F178 HydrophobicContact CE3-CD2 3.69Å; W174-F178 AromaticContact CE3-CE2 3.37Å; W174-F178 HydrophobicContact CE3-CE2 3.37Å; W174-F178 HydrophobicContact CH2-CE2 4.46Å; W174-F178 HydrophobicContact CZ3-CD2 4.22Å; W174-F178 AromaticContact CZ3-CE2 3.49Å; W174-F178 HydrophobicContact CZ3-CE2 3.49Å; W174-F178 VanDerWaalsContact CZ3-CE2 3.49Å; W174-F178 HydrophobicContact CZ3-CZ 4.31Å; W174-F178 PolarHBondContact O-N 3.07Å; F178-A180 VanDerWaalsContact C-N 3.3Å; F178-A180 PolarHBondContact O-N 3.06Å; F178-L181 HydrophobicContact CD1-CD1 4.39Å; F178-L181 PolarHBondContact O-N 3.41Å; F178-A182 WeakPolarHBondContact O-CB 3.5Å; F178-A182 PolarHBondContact O-N 2.93Å |
| 179 | P | 96.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.8 | -43.2 | 172.8 | -33.6 | 42.8 | 0 | 0 | 0 | 113 | M53 L88 W174 L175 A182 V183 I200 L614 | M53-P179 HydrophobicContact CB-CG 3.92Å; M53-P179 HydrophobicContact CG-CG 3.82Å; M53-P179 HydrophobicContact SD-CB 4.38Å; M53-P179 HydrophobicContact SD-CG 4.06Å; L88-P179 HydrophobicContact CB-CB 4.46Å; L88-P179 HydrophobicContact CD1-CB 3.71Å; W174-P179 WeakPolarHBondContact O-CD 3.43Å; L175-P179 VanDerWaalsContact O-CG 3.26Å; L175-P179 WeakPolarHBondContact O-CG 3.46Å; P179-A182 PolarHBondContact O-N 3.1Å; P179-V183 WeakPolarHBondContact O-CG2 3.42Å; P179-V183 PolarHBondContact O-N 3.25Å; P179-I200 HydrophobicContact CB-CG2 3.83Å; P179-I200 HydrophobicContact CG-CG2 3.78Å; P179-L614 HydrophobicContact CB-CD1 4.26Å |
| 180 | A | 94.8 | Very high | 95.5 | Very high | 45 Ų | 45 | 36.5 Ų | 36.5 | 37% | 0.372 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.4 | -47.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K176 F177 F178 A182 V183 D184 | K176-A180 WeakPolarHBondContact O-CB 3.35Å; F177-A180 PolarHBondContact O-N 3.21Å; F178-A180 VanDerWaalsContact C-N 3.3Å; F178-A180 PolarHBondContact O-N 3.06Å; A180-A182 VanDerWaalsContact C-N 3.34Å; A180-A182 PolarHBondContact O-N 3.34Å; A180-V183 PolarHBondContact O-N 3.42Å; A180-D184 PolarHBondContact O-N 3.36Å |
| 181 | L | 95.1 | Very high | 95.6 | Very high | 40 Ų | 40 | 32.7 Ų | 32.7 | 21% | 0.209 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 176.5 | -68.4 | -179 | 0 | 0 | 0 | 112.7 | R56 F177 F178 D184 D185 | R56-L181 HydrophobicContact CG-CD1 4.25Å; F177-L181 HydrophobicContact CD1-CD1 3.89Å; F177-L181 HydrophobicContact CE1-CD1 3.32Å; F177-L181 HydrophobicContact CE1-CG 4.33Å; F177-L181 HydrophobicContact CZ-CD1 3.84Å; F177-L181 PolarHBondContact O-N 3.24Å; F178-L181 HydrophobicContact CD1-CD1 4.39Å; F178-L181 PolarHBondContact O-N 3.41Å; L181-D184 PolarHBondContact O-N 3.25Å; L181-D185 WeakPolarHBondContact O-CB 3.48Å; L181-D185 PolarHBondContact O-N 3.45Å |
| 182 | A | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.5 | -42.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M53 L57 L88 F178 P179 A180 D185 L186 | M53-A182 HydrophobicContact CE-CB 4.19Å; M53-A182 HydrophobicContact SD-CB 3.92Å; L57-A182 HydrophobicContact CD1-CB 4.19Å; L57-A182 HydrophobicContact CG-CB 4.17Å; L88-A182 HydrophobicContact CD2-CB 4.01Å; F178-A182 WeakPolarHBondContact O-CB 3.5Å; F178-A182 PolarHBondContact O-N 2.93Å; P179-A182 PolarHBondContact O-N 3.1Å; A180-A182 VanDerWaalsContact C-N 3.34Å; A180-A182 PolarHBondContact O-N 3.34Å; A182-D185 PolarHBondContact O-N 3.42Å; A182-L186 WeakPolarHBondContact O-CB 3.34Å; A182-L186 VanDerWaalsContact O-CG 3.28Å; A182-L186 WeakPolarHBondContact O-CG 3.31Å; A182-L186 PolarHBondContact O-N 3.42Å |
| 183 | V | 96.9 | Very high | 96 | Very high | 11 Ų | 11 | 29.3 Ų | 29.3 | 7% | 0.067 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 174.2 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | L88 P179 A180 D185 L186 R187 W195 L614 | L88-V183 HydrophobicContact CD1-CG2 3.76Å; P179-V183 WeakPolarHBondContact O-CG2 3.42Å; P179-V183 PolarHBondContact O-N 3.25Å; A180-V183 PolarHBondContact O-N 3.42Å; V183-D185 PolarHBondContact O-N 3.25Å; V183-L186 PolarHBondContact O-N 3.22Å; V183-R187 HydrophobicContact CG1-CG 4.36Å; V183-R187 WeakPolarHBondContact O-CB 3.44Å; V183-R187 WeakPolarHBondContact O-CG 3.28Å; V183-R187 PolarHBondContact O-N 3.07Å; V183-W195 HydrophobicContact CB-CZ3 4.22Å; V183-W195 HydrophobicContact CG1-CD2 4.3Å; V183-W195 HydrophobicContact CG1-CE3 3.92Å; V183-W195 HydrophobicContact CG1-CH2 4.23Å; V183-W195 HydrophobicContact CG1-CZ3 3.92Å; V183-W195 HydrophobicContact CG2-CE3 4.24Å; V183-W195 HydrophobicContact CG2-CZ3 3.82Å; V183-L614 HydrophobicContact CG2-CD1 4.38Å |
| 184 | D | 95.8 | Very high | 96 | Very high | 71 Ų | 71 | 27.1 Ų | 27.1 | 38% | 0.38 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -63.6 | -40.9 | 179.4 | -72.8 | -13.5 | 0 | 0 | 0 | 112.3 | A180 L181 R187 K188 | A180-D184 PolarHBondContact O-N 3.36Å; L181-D184 PolarHBondContact O-N 3.25Å; D184-R187 PolarHBondContact O-N 3.43Å; D184-K188 WeakPolarHBondContact O-CG 3.49Å; D184-K188 PolarHBondContact O-N 3.42Å |
| 185 | D | 96.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.6 | -40.7 | 178.4 | -68.3 | -15.1 | 0 | 0 | 0 | 111.4 | R56 L181 A182 V183 K188 L189 L733 | R56-D185 IonicContact CZ-OD1 3.69Å; R56-D185 IonicContact CZ-OD2 3.37Å; R56-D185 IonicContact NE-OD1 2.7Å; R56-D185 IonicContact NE-OD2 3.45Å; R56-D185 PolarHBondContact NE-OD2 2.93Å; R56-D185 VanDerWaalsContact NH2-CG 3.34Å; R56-D185 IonicContact NH2-OD1 3.05Å; R56-D185 PolarHBondContact NH2-OD1 2.89Å; R56-D185 IonicContact NH2-OD2 2.74Å; R56-D185 PolarHBondContact NH2-OD2 3.33Å; L181-D185 WeakPolarHBondContact O-CB 3.48Å; L181-D185 PolarHBondContact O-N 3.45Å; A182-D185 PolarHBondContact O-N 3.42Å; V183-D185 PolarHBondContact O-N 3.25Å; D185-K188 PolarHBondContact O-N 3.17Å; D185-L189 PolarHBondContact O-N 3.42Å; D185-L189 VanDerWaalsContact O-N 3.12Å; D185-L733 HydrophobicContact CB-CD2 4.01Å; D185-L733 HydrophobicContact CB-CG 4.26Å |
| 186 | L | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.9 | -36.7 | 175.4 | -71.9 | 169.1 | 0 | 0 | 0 | 112.3 | L57 L65 F86 A182 V183 K188 L189 G190 V191 W195 L733 | L57-L186 HydrophobicContact CD1-CD1 3.76Å; L57-L186 HydrophobicContact CD1-CD2 4.01Å; L57-L186 HydrophobicContact CD1-CG 3.76Å; L65-L186 HydrophobicContact CD1-CD2 4.03Å; L65-L186 HydrophobicContact CD2-CD2 3.75Å; F86-L186 HydrophobicContact CD1-CD1 3.97Å; F86-L186 HydrophobicContact CD2-CD1 4.38Å; F86-L186 HydrophobicContact CE1-CD1 3.56Å; F86-L186 HydrophobicContact CE2-CD1 4.01Å; F86-L186 HydrophobicContact CG-CD1 4.36Å; F86-L186 HydrophobicContact CZ-CD1 3.58Å; A182-L186 WeakPolarHBondContact O-CB 3.34Å; A182-L186 VanDerWaalsContact O-CG 3.28Å; A182-L186 WeakPolarHBondContact O-CG 3.31Å; A182-L186 PolarHBondContact O-N 3.42Å; V183-L186 PolarHBondContact O-N 3.22Å; L186-K188 VanDerWaalsContact C-N 3.35Å; L186-L189 WeakPolarHBondContact O-CB 3.46Å; L186-L189 PolarHBondContact O-N 2.82Å; L186-G190 PolarHBondContact O-N 3.4Å; L186-G190 VanDerWaalsContact O-N 3.1Å; L186-V191 HydrophobicContact CB-CG1 4.44Å; L186-V191 HydrophobicContact CB-CG2 3.89Å; L186-V191 HydrophobicContact CD2-CG1 4.04Å; L186-V191 WeakPolarHBondContact O-CG2 3.25Å; L186-V191 PolarHBondContact O-N 3.22Å; L186-W195 HydrophobicContact CB-CH2 3.67Å; L186-W195 HydrophobicContact CB-CZ2 3.91Å; L186-W195 HydrophobicContact CD1-CH2 3.91Å; L186-W195 HydrophobicContact CG-CH2 4.45Å; L186-L733 HydrophobicContact CD2-CD2 3.77Å; L186-L733 HydrophobicContact CG-CD2 4.2Å |
| 187 | R | 95.9 | Very high | 96.3 | Very high | 100 Ų | 100 | 24.8 Ų | 24.8 | 38% | 0.377 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 172.7 | -79.9 | -179.9 | 172.5 | 151.6 | -5.1 | 112.1 | V183 D184 L189 G190 W195 | V183-R187 HydrophobicContact CG1-CG 4.36Å; V183-R187 WeakPolarHBondContact O-CB 3.44Å; V183-R187 WeakPolarHBondContact O-CG 3.28Å; V183-R187 PolarHBondContact O-N 3.07Å; D184-R187 PolarHBondContact O-N 3.43Å; R187-L189 VanDerWaalsContact C-N 3.28Å; R187-L189 PolarHBondContact O-N 3.13Å; R187-G190 WeakPolarHBondContact O-CA 3.48Å; R187-G190 PolarHBondContact O-N 3.33Å; R187-W195 HydrophobicContact CG-CZ2 3.96Å |
| 188 | K | 95 | Very high | 96.4 | Very high | 108 Ų | 108 | 23 Ų | 23 | 47% | 0.47 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -64.2 | -32.5 | 173 | -74.5 | 171.5 | -175.8 | 170 | 0 | 112.9 | Q20 D184 D185 L186 G190 | Q20-K188 PolarHBondContact NE2-O 3.19Å; D184-K188 WeakPolarHBondContact O-CG 3.49Å; D184-K188 PolarHBondContact O-N 3.42Å; D185-K188 PolarHBondContact O-N 3.17Å; L186-K188 VanDerWaalsContact C-N 3.35Å; K188-G190 PolarHBondContact O-N 3Å |
| 189 | L | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.5 | -19.3 | 169.1 | -175 | 63.3 | 0 | 0 | 0 | 111.8 | T62 L65 D185 L186 R187 V191 L733 V737 A742 R746 H879 | T62-L189 HydrophobicContact CG2-CD2 3.69Å; L65-L189 HydrophobicContact CD1-CD2 4.2Å; D185-L189 PolarHBondContact O-N 3.42Å; D185-L189 VanDerWaalsContact O-N 3.12Å; L186-L189 WeakPolarHBondContact O-CB 3.46Å; L186-L189 PolarHBondContact O-N 2.82Å; R187-L189 VanDerWaalsContact C-N 3.28Å; R187-L189 PolarHBondContact O-N 3.13Å; L189-V191 HydrophobicContact CB-CG1 4.21Å; L189-V191 HydrophobicContact CD2-CG1 3.78Å; L189-V191 HydrophobicContact CG-CG1 4.1Å; L189-L733 HydrophobicContact CB-CD1 4.24Å; L189-L733 HydrophobicContact CD1-CD1 4.26Å; L189-L733 HydrophobicContact CD2-CD1 3.94Å; L189-L733 HydrophobicContact CD2-CD2 4.42Å; L189-L733 HydrophobicContact CG-CD1 4.38Å; L189-V737 HydrophobicContact CB-CG2 4.42Å; L189-V737 HydrophobicContact CD1-CG2 3.97Å; L189-A742 HydrophobicContact CD1-CB 4.18Å; L189-R746 HydrophobicContact CD1-CG 4.3Å; L189-R746 PolarHBondContact O-NH1 2.88Å; L189-R746 PolarHBondContact O-NH2 3.34Å; L189-H879 PolarHBondContact O-CE1 3.37Å; L189-H879 VanDerWaalsContact O-CE1 3.27Å |
| 190 | G | 96.2 | Very high | 96.5 | Very high | 5 Ų | 5 | 23 Ų | 23 | 5% | 0.052 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 38.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L186 R187 K188 R746 | L186-G190 PolarHBondContact O-N 3.4Å; L186-G190 VanDerWaalsContact O-N 3.1Å; R187-G190 WeakPolarHBondContact O-CA 3.48Å; R187-G190 PolarHBondContact O-N 3.33Å; K188-G190 PolarHBondContact O-N 3Å; G190-R746 VanDerWaalsContact C-NH2 3.29Å; G190-R746 PolarHBondContact O-NH2 3.29Å |
| 191 | V | 96.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 3% | 0.03 | 10% | 0.095 | C | C | . | . | trans | -64.5 | 147.3 | -179.5 | -64.2 | 0 | 0 | 0 | 0 | 112 | L65 W84 L186 L189 V193 W195 | L65-V191 HydrophobicContact CD1-CG1 4.28Å; W84-V191 HydrophobicContact CH2-CB 3.91Å; W84-V191 HydrophobicContact CH2-CG1 4.06Å; W84-V191 HydrophobicContact CZ3-CB 3.65Å; W84-V191 HydrophobicContact CZ3-CG1 4.25Å; L186-V191 HydrophobicContact CB-CG1 4.44Å; L186-V191 HydrophobicContact CB-CG2 3.89Å; L186-V191 HydrophobicContact CD2-CG1 4.04Å; L186-V191 WeakPolarHBondContact O-CG2 3.25Å; L186-V191 PolarHBondContact O-N 3.22Å; L189-V191 HydrophobicContact CB-CG1 4.21Å; L189-V191 HydrophobicContact CD2-CG1 3.78Å; L189-V191 HydrophobicContact CG-CG1 4.1Å; V191-V193 HydrophobicContact CB-CG2 4.06Å; V191-V193 HydrophobicContact CG2-CB 3.98Å; V191-V193 HydrophobicContact CG2-CG2 3.54Å; V191-V193 PolarHBondContact O-N 3.32Å; V191-W195 HydrophobicContact CG2-CH2 4.21Å; V191-W195 HydrophobicContact CG2-CZ2 3.51Å | ||
| 192 | K | 96.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.017 | 9% | 0.085 | C | C | . | . | trans | -81.8 | 44.6 | -175.2 | -51.6 | -179.5 | -177.4 | 72.3 | 0 | 112.6 | F29 E69 V72 W84 P875 S878 F896 | F29-K192 HydrophobicContact CD1-CB 3.75Å; F29-K192 HydrophobicContact CD1-CG 4.19Å; F29-K192 HydrophobicContact CD2-CB 4.43Å; F29-K192 HydrophobicContact CE1-CB 3.81Å; F29-K192 HydrophobicContact CE1-CD 4.13Å; F29-K192 HydrophobicContact CE1-CG 3.7Å; F29-K192 HydrophobicContact CE2-CB 4.47Å; F29-K192 HydrophobicContact CE2-CG 4.34Å; F29-K192 HydrophobicContact CG-CB 4.09Å; F29-K192 HydrophobicContact CZ-CB 4.19Å; F29-K192 HydrophobicContact CZ-CD 4.49Å; F29-K192 HydrophobicContact CZ-CG 3.79Å; E69-K192 PolarHBondContact O-NZ 2.95Å; E69-K192 IonicContact OE2-NZ 3.89Å; E69-K192 PolarHBondContact OE2-NZ 3.37Å; V72-K192 HydrophobicContact CB-CD 4.49Å; V72-K192 HydrophobicContact CG1-CB 3.9Å; V72-K192 HydrophobicContact CG1-CD 4.13Å; W84-K192 HydrophobicContact CE3-CB 4.25Å; K192-P875 PolarHBondContact NZ-O 3.31Å; K192-P875 VanDerWaalsContact NZ-O 3.09Å; K192-S878 WeakPolarHBondContact CE-OG 3.49Å; K192-S878 PolarHBondContact NZ-OG 3.43Å; K192-F896 HydrophobicContact CD-CE1 4.33Å; K192-F896 HydrophobicContact CD-CZ 4.35Å; K192-F896 VanDerWaalsContact CE-CE1 3.5Å | ||
| 193 | V | 97.5 | Very high | 96.2 | Very high | 5 Ų | 5 | 22.6 Ų | 22.6 | 3% | 0.03 | 10% | 0.104 | C | C | . | . | trans | -93.8 | 138.7 | -171.3 | 169.2 | 0 | 0 | 0 | 0 | 111.7 | W84 F86 V191 W195 | W84-V193 HydrophobicContact CD2-CG2 3.76Å; W84-V193 HydrophobicContact CE3-CG2 3.54Å; W84-V193 HydrophobicContact CG-CG2 4.44Å; W84-V193 HydrophobicContact CH2-CG2 4.01Å; W84-V193 HydrophobicContact CZ2-CG2 4.21Å; W84-V193 HydrophobicContact CZ3-CG2 3.67Å; W84-V193 CarbonylContact O-C 3.57Å; W84-V193 VanDerWaalsContact O-CA 3.22Å; W84-V193 WeakPolarHBondContact O-CA 3.46Å; F86-V193 HydrophobicContact CB-CG1 3.72Å; F86-V193 HydrophobicContact CB-CG2 4.15Å; F86-V193 HydrophobicContact CD2-CG2 4.3Å; V191-V193 HydrophobicContact CB-CG2 4.06Å; V191-V193 HydrophobicContact CG2-CB 3.98Å; V191-V193 HydrophobicContact CG2-CG2 3.54Å; V191-V193 PolarHBondContact O-N 3.32Å; V193-W195 HydrophobicContact CB-CD2 4.23Å; V193-W195 HydrophobicContact CB-CH2 4.46Å; V193-W195 HydrophobicContact CB-CZ2 4.02Å; V193-W195 HydrophobicContact CG1-CD2 3.68Å; V193-W195 HydrophobicContact CG1-CE3 3.81Å; V193-W195 HydrophobicContact CG1-CG 4.15Å; V193-W195 HydrophobicContact CG1-CH2 4.22Å; V193-W195 HydrophobicContact CG1-CZ2 4.14Å; V193-W195 HydrophobicContact CG1-CZ3 4.06Å; V193-W195 HydrophobicContact CG2-CZ2 4.43Å; V193-W195 PolarHBondContact O-N 3.17Å | ||
| 194 | D | 97.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | trans | -82.6 | 92 | 164.2 | -173.9 | -13.9 | 0 | 0 | 0 | 109.7 | F29 A31 L83 W84 R196 R197 | F29-D194 WeakPolarHBondContact O-CB 3.48Å; A31-D194 PolarHBondContact N-OD2 2.94Å; L83-D194 HydrophobicContact CD1-CB 4.09Å; W84-D194 PolarHBondContact O-N 3.42Å; D194-R196 PolarHBondContact O-N 2.99Å; D194-R196 VanDerWaalsContact O-N 3.16Å; D194-R196 WeakPolarHBondContact OD1-CB 3.47Å; D194-R196 IonicContact OD1-CZ 3.77Å; D194-R196 PolarHBondContact OD1-N 3.44Å; D194-R196 IonicContact OD1-NE 3.08Å; D194-R196 PolarHBondContact OD1-NE 3.34Å; D194-R196 IonicContact OD1-NH2 3.98Å; D194-R196 IonicContact OD2-CZ 3.88Å; D194-R196 IonicContact OD2-NE 3.73Å; D194-R196 IonicContact OD2-NH2 3.73Å; D194-R196 PolarHBondContact OD2-NH2 3Å; D194-R197 PolarHBondContact O-N 2.75Å; D194-R197 IonicContact OD2-NE 3.66Å; D194-R197 PolarHBondContact OD2-NE 2.89Å | ||
| 195 | W | 96.1 | Very high | 96.1 | Very high | 35 Ų | 35 | 19 Ų | 19 | 13% | 0.133 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -64.7 | -19.8 | -173.7 | -68.9 | 108.3 | 0 | 0 | 0 | 113.9 | F86 V183 L186 R187 V191 V193 R197 S198 | F86-W195 HydrophobicContact CB-CZ3 4.19Å; V183-W195 HydrophobicContact CB-CZ3 4.22Å; V183-W195 HydrophobicContact CG1-CD2 4.3Å; V183-W195 HydrophobicContact CG1-CE3 3.92Å; V183-W195 HydrophobicContact CG1-CH2 4.23Å; V183-W195 HydrophobicContact CG1-CZ3 3.92Å; V183-W195 HydrophobicContact CG2-CE3 4.24Å; V183-W195 HydrophobicContact CG2-CZ3 3.82Å; L186-W195 HydrophobicContact CB-CH2 3.67Å; L186-W195 HydrophobicContact CB-CZ2 3.91Å; L186-W195 HydrophobicContact CD1-CH2 3.91Å; L186-W195 HydrophobicContact CG-CH2 4.45Å; R187-W195 HydrophobicContact CG-CZ2 3.96Å; V191-W195 HydrophobicContact CG2-CH2 4.21Å; V191-W195 HydrophobicContact CG2-CZ2 3.51Å; V193-W195 HydrophobicContact CB-CD2 4.23Å; V193-W195 HydrophobicContact CB-CH2 4.46Å; V193-W195 HydrophobicContact CB-CZ2 4.02Å; V193-W195 HydrophobicContact CG1-CD2 3.68Å; V193-W195 HydrophobicContact CG1-CE3 3.81Å; V193-W195 HydrophobicContact CG1-CG 4.15Å; V193-W195 HydrophobicContact CG1-CH2 4.22Å; V193-W195 HydrophobicContact CG1-CZ2 4.14Å; V193-W195 HydrophobicContact CG1-CZ3 4.06Å; V193-W195 HydrophobicContact CG2-CZ2 4.43Å; V193-W195 PolarHBondContact O-N 3.17Å; W195-R197 PolarHBondContact O-N 3.02Å; W195-R197 VanDerWaalsContact O-N 3.15Å; W195-S198 WeakPolarHBondContact CA-OG 3.33Å; W195-S198 VanDerWaalsContact O-CB 3.3Å; W195-S198 WeakPolarHBondContact O-CB 3.45Å; W195-S198 PolarHBondContact O-N 2.96Å; W195-S198 VanDerWaalsContact O-N 3.1Å; W195-S198 PolarHBondContact O-OG 2.72Å |
| 196 | R | 96.5 | Very high | 96.1 | Very high | 47 Ų | 47 | 21.4 Ų | 21.4 | 18% | 0.177 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -63.3 | -21.5 | 178.1 | -55.5 | 173 | -63.2 | 161.3 | 18.1 | 112.3 | E30 A31 D32 D194 H607 G612 | E30-R196 VanDerWaalsContact CD-NE 3.34Å; E30-R196 VanDerWaalsContact OE2-CD 3.31Å; E30-R196 WeakPolarHBondContact OE2-CD 3.35Å; E30-R196 IonicContact OE2-CZ 3.3Å; E30-R196 VanDerWaalsContact OE2-CZ 3.26Å; E30-R196 IonicContact OE2-NE 2.71Å; E30-R196 PolarHBondContact OE2-NE 2.89Å; E30-R196 IonicContact OE2-NH1 2.78Å; E30-R196 PolarHBondContact OE2-NH1 3.04Å; A31-R196 PolarHBondContact O-NH2 3.46Å; D32-R196 IonicContact OD1-CZ 2.79Å; D32-R196 IonicContact OD1-NH1 3.25Å; D32-R196 PolarHBondContact OD1-NH1 3.33Å; D32-R196 IonicContact OD1-NH2 2.7Å; D32-R196 PolarHBondContact OD1-NH2 3.05Å; D32-R196 IonicContact OD2-NH1 3.34Å; D32-R196 PolarHBondContact OD2-NH1 3.24Å; D194-R196 PolarHBondContact O-N 2.99Å; D194-R196 VanDerWaalsContact O-N 3.16Å; D194-R196 WeakPolarHBondContact OD1-CB 3.47Å; D194-R196 IonicContact OD1-CZ 3.77Å; D194-R196 PolarHBondContact OD1-N 3.44Å; D194-R196 IonicContact OD1-NE 3.08Å; D194-R196 PolarHBondContact OD1-NE 3.34Å; D194-R196 IonicContact OD1-NH2 3.98Å; D194-R196 IonicContact OD2-CZ 3.88Å; D194-R196 IonicContact OD2-NE 3.73Å; D194-R196 IonicContact OD2-NH2 3.73Å; D194-R196 PolarHBondContact OD2-NH2 3Å; R196-H607 HydrophobicContact CB-CB 3.73Å; R196-H607 WeakPolarHBondContact O-CA 3.41Å; R196-G612 WeakPolarHBondContact O-CA 3.46Å; R196-G612 PolarHBondContact O-N 3.05Å |
| 197 | R | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -94.6 | 4 | -178.7 | -60.6 | 169.3 | -178.2 | -89.9 | 3.2 | 113 | A31 P85 D194 W195 F199 Y603 T604 A606 H607 E667 | A31-R197 PolarHBondContact O-NH2 2.79Å; P85-R197 HydrophobicContact CB-CB 3.75Å; D194-R197 PolarHBondContact O-N 2.75Å; D194-R197 IonicContact OD2-NE 3.66Å; D194-R197 PolarHBondContact OD2-NE 2.89Å; W195-R197 PolarHBondContact O-N 3.02Å; W195-R197 VanDerWaalsContact O-N 3.15Å; R197-F199 WeakPolarHBondContact O-CD1 3.16Å; R197-Y603 PolarHBondContact NH1-O 3.37Å; R197-T604 PolarHBondContact NH1-O 2.88Å; R197-A606 HydrophobicContact CB-CB 4.33Å; R197-H607 HydrophobicContact CG-CB 3.69Å; R197-H607 PolarHBondContact NH1-CE1 3.45Å; R197-H607 VanDerWaalsContact NH1-CE1 3.33Å; R197-H607 PolarHBondContact NH1-ND1 3.38Å; R197-H607 PolarHBondContact NH2-CE1 3.25Å; R197-H607 PolarHBondContact NH2-ND1 3.49Å; R197-E667 IonicContact CZ-OE1 3.77Å; R197-E667 IonicContact NH2-OE1 2.63Å; R197-E667 PolarHBondContact NH2-OE1 2.93Å |
| 198 | S | 97.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.007 | 8% | 0.083 | C | C | . | . | trans | -79.2 | 146 | -177.1 | -45.3 | 0 | 0 | 0 | 0 | 111.7 | F86 W195 L614 | F86-S198 WeakPolarHBondContact O-CA 3.24Å; F86-S198 WeakPolarHBondContact O-CB 3.46Å; F86-S198 PolarHBondContact O-OG 3.12Å; W195-S198 WeakPolarHBondContact CA-OG 3.33Å; W195-S198 VanDerWaalsContact O-CB 3.3Å; W195-S198 WeakPolarHBondContact O-CB 3.45Å; W195-S198 PolarHBondContact O-N 2.96Å; W195-S198 VanDerWaalsContact O-N 3.1Å; W195-S198 PolarHBondContact O-OG 2.72Å; S198-L614 VanDerWaalsContact CB-CD2 3.49Å | ||
| 199 | F | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | trans | -155.9 | 160 | 178 | 61.3 | -89.2 | 0 | 0 | 0 | 112.1 | G87 L88 R197 T201 Y208 Y599 Y602 Y603 L614 | G87-F199 CarbonylContact C-O 3.31Å; G87-F199 WeakPolarHBondContact CA-O 3.19Å; L88-F199 PolarHBondContact N-O 3.32Å; R197-F199 WeakPolarHBondContact O-CD1 3.16Å; F199-T201 HydrophobicContact CE2-CG2 4.35Å; F199-Y208 AromaticContact CD2-CD2 3.87Å; F199-Y208 HydrophobicContact CD2-CD2 3.87Å; F199-Y208 HydrophobicContact CD2-CE2 4.35Å; F199-Y208 HydrophobicContact CD2-CG 4.06Å; F199-Y208 HydrophobicContact CE2-CD1 4.41Å; F199-Y208 AromaticContact CE2-CD2 3.28Å; F199-Y208 HydrophobicContact CE2-CD2 3.28Å; F199-Y208 HydrophobicContact CE2-CE1 4.47Å; F199-Y208 AromaticContact CE2-CE2 3.35Å; F199-Y208 HydrophobicContact CE2-CE2 3.35Å; F199-Y208 AromaticContact CE2-CG 3.83Å; F199-Y208 HydrophobicContact CE2-CG 3.83Å; F199-Y208 AromaticContact CE2-CZ 3.97Å; F199-Y208 AromaticContact CZ-CD2 3.78Å; F199-Y208 HydrophobicContact CZ-CD2 3.78Å; F199-Y208 AromaticContact CZ-CE2 3.68Å; F199-Y208 HydrophobicContact CZ-CE2 3.68Å; F199-Y599 HydrophobicContact CZ-CD2 4.38Å; F199-Y602 AromaticContact CD1-CD1 3.85Å; F199-Y602 HydrophobicContact CD1-CD1 3.85Å; F199-Y602 AromaticContact CD1-CE1 3.56Å; F199-Y602 HydrophobicContact CD1-CE1 3.56Å; F199-Y602 HydrophobicContact CD2-CE1 4.29Å; F199-Y602 AromaticContact CE1-CD1 3.39Å; F199-Y602 HydrophobicContact CE1-CD1 3.39Å; F199-Y602 AromaticContact CE1-CE1 3.63Å; F199-Y602 HydrophobicContact CE1-CE1 3.63Å; F199-Y602 HydrophobicContact CE2-CD1 4.31Å; F199-Y602 HydrophobicContact CE2-CE1 4.39Å; F199-Y602 HydrophobicContact CG-CD1 4.46Å; F199-Y602 AromaticContact CG-CE1 3.91Å; F199-Y602 HydrophobicContact CG-CE1 3.91Å; F199-Y602 AromaticContact CZ-CD1 3.67Å; F199-Y602 HydrophobicContact CZ-CD1 3.67Å; F199-Y602 HydrophobicContact CZ-CE1 4.08Å; F199-Y603 HydrophobicContact CD1-CD1 4.18Å; F199-Y603 AromaticContact CD1-CE1 3.95Å; F199-Y603 HydrophobicContact CD1-CE1 3.95Å; F199-Y603 AromaticContact CE1-CD1 3.42Å; F199-Y603 HydrophobicContact CE1-CD1 3.42Å; F199-Y603 VanDerWaalsContact CE1-CD1 3.42Å; F199-Y603 AromaticContact CE1-CE1 3.2Å; F199-Y603 HydrophobicContact CE1-CE1 3.2Å; F199-Y603 HydrophobicContact CE1-CG 4.4Å; F199-Y603 HydrophobicContact CZ-CD1 4.31Å; F199-Y603 AromaticContact CZ-CE1 3.87Å; F199-Y603 HydrophobicContact CZ-CE1 3.87Å; F199-L614 CarbonylContact C-O 3.57Å; F199-L614 VanDerWaalsContact CA-O 3.28Å; F199-L614 WeakPolarHBondContact CA-O 3.44Å | ||
| 200 | I | 97.3 | Very high | 96.3 | Very high | 5 Ų | 5 | 14 Ų | 14 | 3% | 0.026 | 8% | 0.076 | C | C | . | . | B | Isolated β-bridge | trans | -94.5 | 147 | 163.5 | 56.4 | 163.9 | 0 | 0 | 0 | 110.4 | L88 L175 P179 A204 N205 L614 D615 | L88-I200 HydrophobicContact CB-CG2 3.95Å; L88-I200 VanDerWaalsContact O-CA 3.27Å; L88-I200 WeakPolarHBondContact O-CA 3.27Å; L175-I200 HydrophobicContact CB-CD1 4.07Å; P179-I200 HydrophobicContact CB-CG2 3.83Å; P179-I200 HydrophobicContact CG-CG2 3.78Å; I200-A204 HydrophobicContact CD1-CB 4.18Å; I200-N205 VanDerWaalsContact O-CB 3.31Å; I200-N205 WeakPolarHBondContact O-CB 3.41Å; I200-L614 WeakPolarHBondContact CG1-O 3.39Å; I200-L614 HydrophobicContact CG2-CB 4.4Å; I200-L614 PolarHBondContact N-O 3.32Å; I200-D615 HydrophobicContact CD1-CB 4.23Å |
| 201 | T | 95.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -78 | -178.2 | 171.4 | 74.1 | 0 | 0 | 0 | 0 | 111.1 | Y50 L88 H89 C90 T91 F199 Y208 | Y50-T201 HydrophobicContact CD1-CG2 4.11Å; Y50-T201 HydrophobicContact CE1-CG2 3.52Å; Y50-T201 HydrophobicContact CE2-CG2 4.41Å; L88-T201 PolarHBondContact O-N 3.32Å; H89-T201 PolarHBondContact CD2-OG1 2.98Å; C90-T201 PolarHBondContact N-OG1 3.21Å; T91-T201 PolarHBondContact N-OG1 2.83Å; T91-T201 WeakPolarHBondContact OG1-CB 3.37Å; T91-T201 PolarHBondContact OG1-OG1 3.21Å; F199-T201 HydrophobicContact CE2-CG2 4.35Å; T201-Y208 HydrophobicContact CG2-CD1 4.31Å; T201-Y208 HydrophobicContact CG2-CE1 3.73Å | ||
| 202 | T | 91.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.006 | 7% | 0.072 | C | C | . | . | S | Bend | trans | 85.5 | 171.8 | -173.9 | 76.7 | 0 | 0 | 0 | 0 | 114.8 | C90 A204 N205 L578 | C90-T202 HydrophobicContact CB-CG2 3.82Å; T202-A204 PolarHBondContact O-N 3.34Å; T202-A204 VanDerWaalsContact OG1-CB 3.29Å; T202-A204 WeakPolarHBondContact OG1-CB 3.45Å; T202-A204 PolarHBondContact OG1-N 3.23Å; T202-N205 PolarHBondContact O-N 3.42Å; T202-N205 VanDerWaalsContact O-N 3.13Å; T202-L578 HydrophobicContact CG2-CB 3.87Å |
| 203 | D | 93 | Very high | 96.5 | Very high | 74 Ų | 74 | 17 Ų | 17 | 40% | 0.396 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -12.5 | 171.6 | 59.9 | -23.8 | 0 | 0 | 0 | 113.4 | N205 | D203-N205 PolarHBondContact O-N 3.04Š|
| 204 | A | 94 | Very high | 96.5 | Very high | 8 Ų | 8 | 17 Ų | 17 | 7% | 0.066 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L175 I200 T202 | L175-A204 HydrophobicContact CD1-CB 3.76Å; I200-A204 HydrophobicContact CD1-CB 4.18Å; T202-A204 PolarHBondContact O-N 3.34Å; T202-A204 VanDerWaalsContact OG1-CB 3.29Å; T202-A204 WeakPolarHBondContact OG1-CB 3.45Å; T202-A204 PolarHBondContact OG1-N 3.23Å |
| 205 | N | 96.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -108.6 | 98.9 | 167.7 | -174.4 | -35.3 | 0 | 0 | 0 | 111.1 | I200 T202 D203 Y207 Y208 D209 Q610 L614 D615 G616 | I200-N205 VanDerWaalsContact O-CB 3.31Å; I200-N205 WeakPolarHBondContact O-CB 3.41Å; T202-N205 PolarHBondContact O-N 3.42Å; T202-N205 VanDerWaalsContact O-N 3.13Å; D203-N205 PolarHBondContact O-N 3.04Å; N205-Y207 VanDerWaalsContact C-N 3.29Å; N205-Y207 PolarHBondContact O-N 3.16Å; N205-Y207 PolarHBondContact OD1-N 2.99Å; N205-Y207 VanDerWaalsContact OD1-N 3.09Å; N205-Y208 PolarHBondContact O-N 3.11Å; N205-Y208 VanDerWaalsContact O-N 3.17Å; N205-Y208 PolarHBondContact OD1-N 3.21Å; N205-Y208 VanDerWaalsContact OD1-N 3.09Å; N205-D209 WeakPolarHBondContact O-CB 3.41Å; N205-D209 PolarHBondContact O-N 3.32Å; N205-Q610 PolarHBondContact ND2-OE1 3Å; N205-L614 PolarHBondContact ND2-O 2.86Å; N205-D615 VanDerWaalsContact CA-O 3.3Å; N205-D615 WeakPolarHBondContact CA-O 3.17Å; N205-G616 PolarHBondContact ND2-N 3.05Å |
| 206 | P | 96.6 | Very high | 96.7 | Very high | 50 Ų | 50 | 15.2 Ų | 15.2 | 33% | 0.325 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -64.3 | -27.2 | -174.8 | -25 | 35.7 | 0 | 0 | 0 | 114.9 | S210 P626 | P206-S210 WeakPolarHBondContact O-CB 3.26Å; P206-S210 PolarHBondContact O-N 3.34Å; P206-S210 VanDerWaalsContact O-N 3.08Å; P206-S210 PolarHBondContact O-OG 3.04Å; P206-S210 VanDerWaalsContact O-OG 3.11Å; P206-P626 HydrophobicContact CB-CB 3.54Å; P206-P626 HydrophobicContact CB-CG 3.71Å; P206-P626 HydrophobicContact CG-CG 4.39Å |
| 207 | Y | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -70.1 | -45.9 | 174.8 | -65.1 | -76.8 | 0 | 0 | 0 | 111 | N205 D209 S210 F211 Y602 L609 Q610 G616 P619 I624 P626 M629 | N205-Y207 VanDerWaalsContact C-N 3.29Å; N205-Y207 PolarHBondContact O-N 3.16Å; N205-Y207 PolarHBondContact OD1-N 2.99Å; N205-Y207 VanDerWaalsContact OD1-N 3.09Å; Y207-D209 VanDerWaalsContact C-N 3.35Å; Y207-S210 PolarHBondContact O-OG 2.89Å; Y207-F211 PolarHBondContact O-N 2.72Å; Y207-F211 VanDerWaalsContact O-N 3.14Å; Y207-Y602 WeakPolarHBondContact CB-OH 3.36Å; Y207-L609 HydrophobicContact CD1-CB 4.11Å; Y207-L609 HydrophobicContact CD1-CD1 4.21Å; Y207-L609 HydrophobicContact CE1-CB 4.16Å; Y207-L609 HydrophobicContact CG-CB 4.47Å; Y207-L609 PolarHBondContact OH-O 3.14Å; Y207-Q610 HydrophobicContact CD2-CB 4.11Å; Y207-Q610 HydrophobicContact CE2-CB 4.04Å; Y207-G616 WeakPolarHBondContact CD2-O 3.03Å; Y207-G616 WeakPolarHBondContact CE2-O 3.09Å; Y207-P619 WeakPolarHBondContact OH-CA 3.44Å; Y207-I624 WeakPolarHBondContact CE1-O 3.33Å; Y207-I624 PolarHBondContact OH-O 3.23Å; Y207-P626 HydrophobicContact CD1-CB 4.14Å; Y207-P626 HydrophobicContact CD1-CG 4.04Å; Y207-P626 HydrophobicContact CD2-CG 4.01Å; Y207-P626 HydrophobicContact CE1-CB 4.19Å; Y207-P626 HydrophobicContact CE1-CG 3.78Å; Y207-P626 HydrophobicContact CE2-CG 3.74Å; Y207-P626 HydrophobicContact CG-CB 4.42Å; Y207-P626 HydrophobicContact CG-CG 4.14Å; Y207-P626 WeakPolarHBondContact OH-CD 3.5Å; Y207-M629 HydrophobicContact CD1-CG 4.11Å; Y207-M629 HydrophobicContact CE1-CG 4.45Å |
| 208 | Y | 96.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67.5 | -39.2 | 177.8 | -171.5 | -104.1 | 0 | 0 | 0 | 111.3 | Y50 F199 T201 N205 F211 V212 D595 Y599 Y602 | Y50-Y208 PolarHBondContact OH-OH 3.39Å; F199-Y208 AromaticContact CD2-CD2 3.87Å; F199-Y208 HydrophobicContact CD2-CD2 3.87Å; F199-Y208 HydrophobicContact CD2-CE2 4.35Å; F199-Y208 HydrophobicContact CD2-CG 4.06Å; F199-Y208 HydrophobicContact CE2-CD1 4.41Å; F199-Y208 AromaticContact CE2-CD2 3.28Å; F199-Y208 HydrophobicContact CE2-CD2 3.28Å; F199-Y208 HydrophobicContact CE2-CE1 4.47Å; F199-Y208 AromaticContact CE2-CE2 3.35Å; F199-Y208 HydrophobicContact CE2-CE2 3.35Å; F199-Y208 AromaticContact CE2-CG 3.83Å; F199-Y208 HydrophobicContact CE2-CG 3.83Å; F199-Y208 AromaticContact CE2-CZ 3.97Å; F199-Y208 AromaticContact CZ-CD2 3.78Å; F199-Y208 HydrophobicContact CZ-CD2 3.78Å; F199-Y208 AromaticContact CZ-CE2 3.68Å; F199-Y208 HydrophobicContact CZ-CE2 3.68Å; T201-Y208 HydrophobicContact CG2-CD1 4.31Å; T201-Y208 HydrophobicContact CG2-CE1 3.73Å; N205-Y208 PolarHBondContact O-N 3.11Å; N205-Y208 VanDerWaalsContact O-N 3.17Å; N205-Y208 PolarHBondContact OD1-N 3.21Å; N205-Y208 VanDerWaalsContact OD1-N 3.09Å; Y208-F211 HydrophobicContact CD2-CD1 4.26Å; Y208-F211 HydrophobicContact CE2-CD1 4.1Å; Y208-F211 HydrophobicContact CE2-CE1 4.47Å; Y208-F211 WeakPolarHBondContact O-CB 3.49Å; Y208-F211 PolarHBondContact O-N 2.9Å; Y208-V212 HydrophobicContact CD1-CG2 3.91Å; Y208-V212 HydrophobicContact CE1-CG2 3.45Å; Y208-V212 VanDerWaalsContact CE1-CG2 3.45Å; Y208-V212 HydrophobicContact CE2-CG2 4.29Å; Y208-V212 WeakPolarHBondContact O-CG2 3.46Å; Y208-V212 PolarHBondContact O-N 3.47Å; Y208-D595 PolarHBondContact OH-O 3.06Å; Y208-Y599 WeakPolarHBondContact OH-CB 3.46Å; Y208-Y602 AromaticContact CD2-CD1 3.86Å; Y208-Y602 HydrophobicContact CD2-CD1 3.86Å; Y208-Y602 HydrophobicContact CD2-CE1 4.08Å; Y208-Y602 HydrophobicContact CD2-CG 4.3Å; Y208-Y602 HydrophobicContact CE2-CD1 4.47Å |
| 209 | D | 97.1 | Very high | 96.8 | Very high | 29 Ų | 29 | 17 Ų | 17 | 16% | 0.155 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -56.9 | -51.1 | 175.1 | -173.8 | 72.8 | 0 | 0 | 0 | 112 | N205 Y207 F211 V212 R213 T580 | N205-D209 WeakPolarHBondContact O-CB 3.41Å; N205-D209 PolarHBondContact O-N 3.32Å; Y207-D209 VanDerWaalsContact C-N 3.35Å; D209-F211 VanDerWaalsContact C-N 3.29Å; D209-F211 PolarHBondContact O-N 3.25Å; D209-V212 PolarHBondContact O-N 3.41Å; D209-R213 WeakPolarHBondContact O-CB 3.48Å; D209-R213 VanDerWaalsContact O-CG 3.24Å; D209-R213 WeakPolarHBondContact O-CG 3.47Å; D209-R213 PolarHBondContact O-N 3.34Å; D209-R213 VanDerWaalsContact OD2-CD 3.23Å; D209-R213 WeakPolarHBondContact OD2-CD 3.42Å; D209-T580 WeakPolarHBondContact OD1-CA 3.49Å; D209-T580 VanDerWaalsContact OD1-CB 3.22Å; D209-T580 WeakPolarHBondContact OD1-CB 3.21Å; D209-T580 WeakPolarHBondContact OD1-CG2 3.36Å; D209-T580 PolarHBondContact OD1-OG1 2.92Å |
| 210 | S | 97.4 | Very high | 96.8 | Very high | 23 Ų | 23 | 21.2 Ų | 21.2 | 16% | 0.161 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.4 | -34.9 | 177.5 | 61 | 0 | 0 | 0 | 0 | 112.9 | P206 Y207 W214 | P206-S210 WeakPolarHBondContact O-CB 3.26Å; P206-S210 PolarHBondContact O-N 3.34Å; P206-S210 VanDerWaalsContact O-N 3.08Å; P206-S210 PolarHBondContact O-OG 3.04Å; P206-S210 VanDerWaalsContact O-OG 3.11Å; Y207-S210 PolarHBondContact O-OG 2.89Å; S210-W214 WeakPolarHBondContact O-CB 3.44Å; S210-W214 PolarHBondContact O-N 2.84Å |
| 211 | F | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.2 | -47.9 | 174 | 170.1 | -100.7 | 0 | 0 | 0 | 112.6 | Y207 Y208 D209 R213 W214 Q215 I598 Y602 W634 F638 | Y207-F211 PolarHBondContact O-N 2.72Å; Y207-F211 VanDerWaalsContact O-N 3.14Å; Y208-F211 HydrophobicContact CD2-CD1 4.26Å; Y208-F211 HydrophobicContact CE2-CD1 4.1Å; Y208-F211 HydrophobicContact CE2-CE1 4.47Å; Y208-F211 WeakPolarHBondContact O-CB 3.49Å; Y208-F211 PolarHBondContact O-N 2.9Å; D209-F211 VanDerWaalsContact C-N 3.29Å; D209-F211 PolarHBondContact O-N 3.25Å; F211-R213 VanDerWaalsContact C-N 3.34Å; F211-R213 PolarHBondContact O-N 2.8Å; F211-W214 AromaticContact CD2-CE3 3.95Å; F211-W214 HydrophobicContact CD2-CE3 3.95Å; F211-W214 HydrophobicContact CD2-CZ3 4.18Å; F211-W214 AromaticContact CE2-CE3 3.95Å; F211-W214 HydrophobicContact CE2-CE3 3.95Å; F211-W214 AromaticContact CE2-CZ3 3.72Å; F211-W214 HydrophobicContact CE2-CZ3 3.72Å; F211-W214 HydrophobicContact CZ-CZ3 4.49Å; F211-W214 WeakPolarHBondContact O-CB 3.17Å; F211-W214 PolarHBondContact O-N 3.17Å; F211-Q215 PolarHBondContact O-N 3.23Å; F211-I598 HydrophobicContact CE1-CD1 4.32Å; F211-I598 HydrophobicContact CE1-CG1 4.15Å; F211-I598 HydrophobicContact CE2-CD1 4.09Å; F211-I598 HydrophobicContact CZ-CD1 3.55Å; F211-I598 HydrophobicContact CZ-CG1 3.73Å; F211-Y602 HydrophobicContact CB-CD2 4.2Å; F211-Y602 HydrophobicContact CD1-CG 4.49Å; F211-Y602 HydrophobicContact CD2-CD2 4.46Å; F211-Y602 HydrophobicContact CG-CD2 4.19Å; F211-Y602 HydrophobicContact CG-CG 4.44Å; F211-W634 HydrophobicContact CB-CH2 4.09Å; F211-W634 HydrophobicContact CB-CZ2 3.92Å; F211-W634 HydrophobicContact CD2-CE3 4.3Å; F211-W634 HydrophobicContact CD2-CZ3 4.26Å; F211-F638 HydrophobicContact CD2-CD2 4.33Å; F211-F638 AromaticContact CD2-CE2 3.65Å; F211-F638 HydrophobicContact CD2-CE2 3.65Å; F211-F638 HydrophobicContact CD2-CZ 4.45Å; F211-F638 AromaticContact CE2-CD2 3.99Å; F211-F638 HydrophobicContact CE2-CD2 3.99Å; F211-F638 AromaticContact CE2-CE2 3.46Å; F211-F638 HydrophobicContact CE2-CE2 3.46Å; F211-F638 VanDerWaalsContact CE2-CE2 3.46Å; F211-F638 HydrophobicContact CE2-CZ 4.11Å |
| 212 | V | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.1 | -41 | 177.6 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | Y208 D209 W214 Q215 F216 T580 I590 D595 | Y208-V212 HydrophobicContact CD1-CG2 3.91Å; Y208-V212 HydrophobicContact CE1-CG2 3.45Å; Y208-V212 VanDerWaalsContact CE1-CG2 3.45Å; Y208-V212 HydrophobicContact CE2-CG2 4.29Å; Y208-V212 WeakPolarHBondContact O-CG2 3.46Å; Y208-V212 PolarHBondContact O-N 3.47Å; D209-V212 PolarHBondContact O-N 3.41Å; V212-W214 VanDerWaalsContact C-N 3.33Å; V212-W214 PolarHBondContact O-N 3.4Å; V212-Q215 WeakPolarHBondContact O-CB 3.45Å; V212-Q215 PolarHBondContact O-N 3.29Å; V212-F216 HydrophobicContact CG1-CD2 4.43Å; V212-F216 PolarHBondContact O-N 2.88Å; V212-F216 VanDerWaalsContact O-N 3.08Å; V212-T580 HydrophobicContact CB-CG2 4.11Å; V212-T580 HydrophobicContact CG1-CG2 3.84Å; V212-I590 HydrophobicContact CG1-CD1 3.58Å; V212-D595 HydrophobicContact CB-CB 4.46Å; V212-D595 HydrophobicContact CG1-CB 3.56Å; V212-D595 HydrophobicContact CG2-CB 3.97Å |
| 213 | R | 97.9 | Very high | 96.9 | Very high | 79 Ų | 79 | 35.5 Ų | 35.5 | 30% | 0.298 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.6 | -44.1 | 174.5 | -71.3 | 175.2 | 69.5 | 91.8 | -5.6 | 111.4 | D209 F211 F216 L217 T580 R581 P583 | D209-R213 WeakPolarHBondContact O-CB 3.48Å; D209-R213 VanDerWaalsContact O-CG 3.24Å; D209-R213 WeakPolarHBondContact O-CG 3.47Å; D209-R213 PolarHBondContact O-N 3.34Å; D209-R213 VanDerWaalsContact OD2-CD 3.23Å; D209-R213 WeakPolarHBondContact OD2-CD 3.42Å; F211-R213 VanDerWaalsContact C-N 3.34Å; F211-R213 PolarHBondContact O-N 2.8Å; R213-F216 PolarHBondContact O-N 3.08Å; R213-L217 WeakPolarHBondContact O-CG 3.26Å; R213-L217 PolarHBondContact O-N 2.88Å; R213-T580 HydrophobicContact CG-CG2 3.47Å; R213-T580 VanDerWaalsContact CG-CG2 3.47Å; R213-R581 PolarHBondContact NH1-O 2.85Å; R213-P583 HydrophobicContact CB-CG 3.71Å; R213-P583 HydrophobicContact CG-CG 3.95Å; R213-P583 WeakPolarHBondContact O-CG 3.21Å |
| 214 | W | 98.3 | Very high | 97.1 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 1% | 0.011 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60 | -48.3 | 175.3 | 164.1 | 78 | 0 | 0 | 0 | 111.9 | S210 F211 V212 F216 L217 T218 I598 W634 D635 F638 L639 I698 | S210-W214 WeakPolarHBondContact O-CB 3.44Å; S210-W214 PolarHBondContact O-N 2.84Å; F211-W214 AromaticContact CD2-CE3 3.95Å; F211-W214 HydrophobicContact CD2-CE3 3.95Å; F211-W214 HydrophobicContact CD2-CZ3 4.18Å; F211-W214 AromaticContact CE2-CE3 3.95Å; F211-W214 HydrophobicContact CE2-CE3 3.95Å; F211-W214 AromaticContact CE2-CZ3 3.72Å; F211-W214 HydrophobicContact CE2-CZ3 3.72Å; F211-W214 HydrophobicContact CZ-CZ3 4.49Å; F211-W214 WeakPolarHBondContact O-CB 3.17Å; F211-W214 PolarHBondContact O-N 3.17Å; V212-W214 VanDerWaalsContact C-N 3.33Å; V212-W214 PolarHBondContact O-N 3.4Å; W214-F216 VanDerWaalsContact C-N 3.28Å; W214-F216 PolarHBondContact O-N 3.25Å; W214-L217 PolarHBondContact O-N 3.36Å; W214-T218 PolarHBondContact O-N 2.94Å; W214-T218 PolarHBondContact O-OG1 3.09Å; W214-I598 HydrophobicContact CZ3-CD1 3.78Å; W214-W634 HydrophobicContact CB-CB 4.13Å; W214-W634 HydrophobicContact CB-CG 4.03Å; W214-W634 VanDerWaalsContact CD1-CB 3.45Å; W214-W634 HydrophobicContact CD2-CB 3.58Å; W214-W634 HydrophobicContact CD2-CG 4.21Å; W214-W634 HydrophobicContact CE3-CB 4.33Å; W214-W634 HydrophobicContact CG-CB 3.44Å; W214-W634 VanDerWaalsContact CG-CB 3.44Å; W214-W634 AromaticContact CG-CD1 3.98Å; W214-W634 AromaticContact CG-CG 3.87Å; W214-W634 HydrophobicContact CG-CG 3.87Å; W214-W634 HydrophobicContact CZ2-CB 4.49Å; W214-D635 PolarHBondContact NE1-OD1 2.71Å; W214-F638 HydrophobicContact CE3-CD2 4.45Å; W214-F638 HydrophobicContact CH2-CB 3.71Å; W214-F638 AromaticContact CH2-CD2 3.86Å; W214-F638 HydrophobicContact CH2-CD2 3.86Å; W214-F638 HydrophobicContact CH2-CG 4.19Å; W214-F638 HydrophobicContact CZ2-CB 4.17Å; W214-F638 HydrophobicContact CZ3-CB 4.49Å; W214-F638 AromaticContact CZ3-CD2 3.83Å; W214-F638 HydrophobicContact CZ3-CD2 3.83Å; W214-L639 HydrophobicContact CZ2-CD1 3.97Å; W214-L639 HydrophobicContact CZ2-CD2 4.31Å; W214-L639 HydrophobicContact CZ2-CG 3.92Å; W214-I698 HydrophobicContact CH2-CG2 4.08Å |
| 215 | Q | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -52.8 | -48.8 | 176.6 | 178.3 | -167.8 | -17.7 | 0 | 0 | 111.3 | F211 V212 T218 L219 T597 I598 N694 I698 | F211-Q215 PolarHBondContact O-N 3.23Å; V212-Q215 WeakPolarHBondContact O-CB 3.45Å; V212-Q215 PolarHBondContact O-N 3.29Å; Q215-T218 WeakPolarHBondContact O-CB 3.42Å; Q215-T218 PolarHBondContact O-N 2.93Å; Q215-L219 HydrophobicContact CG-CD1 4.15Å; Q215-L219 WeakPolarHBondContact O-CG 3.49Å; Q215-L219 PolarHBondContact O-N 3.3Å; Q215-T597 PolarHBondContact NE2-OG1 3.21Å; Q215-I598 HydrophobicContact CB-CD1 4.04Å; Q215-I598 HydrophobicContact CB-CG1 4.5Å; Q215-I598 VanDerWaalsContact CD-CG1 3.49Å; Q215-I598 HydrophobicContact CG-CD1 3.75Å; Q215-I598 HydrophobicContact CG-CG1 3.93Å; Q215-N694 PolarHBondContact NE2-OD1 2.96Å; Q215-I698 HydrophobicContact CG-CD1 4.15Å |
| 216 | F | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.9 | -35.7 | -178 | -94.1 | -112.5 | 0 | 0 | 0 | 113.1 | V212 R213 W214 T218 L219 K220 I225 C572 L582 W584 I590 | V212-F216 HydrophobicContact CG1-CD2 4.43Å; V212-F216 PolarHBondContact O-N 2.88Å; V212-F216 VanDerWaalsContact O-N 3.08Å; R213-F216 PolarHBondContact O-N 3.08Å; W214-F216 VanDerWaalsContact C-N 3.28Å; W214-F216 PolarHBondContact O-N 3.25Å; F216-T218 VanDerWaalsContact C-N 3.31Å; F216-T218 PolarHBondContact O-N 2.95Å; F216-L219 PolarHBondContact O-N 2.93Å; F216-K220 WeakPolarHBondContact O-CB 3.49Å; F216-K220 PolarHBondContact O-N 3.37Å; F216-I225 HydrophobicContact CB-CD1 4.49Å; F216-I225 HydrophobicContact CD1-CD1 3.65Å; F216-I225 HydrophobicContact CE1-CD1 4.16Å; F216-I225 HydrophobicContact CG-CD1 4.27Å; F216-C572 HydrophobicContact CE1-CB 4.2Å; F216-C572 HydrophobicContact CZ-CB 4.33Å; F216-L582 HydrophobicContact CD1-CD2 3.52Å; F216-L582 HydrophobicContact CE1-CD2 3.93Å; F216-L582 HydrophobicContact CG-CD2 4.46Å; F216-W584 HydrophobicContact CB-CH2 3.9Å; F216-W584 HydrophobicContact CB-CZ3 4.12Å; F216-W584 HydrophobicContact CD1-CH2 4.14Å; F216-W584 WeakPolarHBondContact O-CH2 3.48Å; F216-W584 WeakPolarHBondContact O-CZ3 3.38Å; F216-I590 HydrophobicContact CB-CD1 4.12Å; F216-I590 HydrophobicContact CD1-CD1 3.74Å; F216-I590 HydrophobicContact CD1-CG1 3.92Å; F216-I590 HydrophobicContact CD2-CD1 3.61Å; F216-I590 HydrophobicContact CD2-CG1 4.4Å; F216-I590 HydrophobicContact CD2-CG2 4.41Å; F216-I590 HydrophobicContact CE1-CB 4.46Å; F216-I590 HydrophobicContact CE1-CD1 4Å; F216-I590 HydrophobicContact CE1-CG1 3.79Å; F216-I590 HydrophobicContact CE1-CG2 3.93Å; F216-I590 HydrophobicContact CE2-CD1 3.89Å; F216-I590 HydrophobicContact CE2-CG1 4.28Å; F216-I590 HydrophobicContact CE2-CG2 3.57Å; F216-I590 HydrophobicContact CG-CD1 3.52Å; F216-I590 HydrophobicContact CG-CG1 4.22Å; F216-I590 HydrophobicContact CZ-CB 4.24Å; F216-I590 HydrophobicContact CZ-CD1 4.07Å; F216-I590 HydrophobicContact CZ-CG1 3.97Å; F216-I590 HydrophobicContact CZ-CG2 3.28Å |
| 217 | L | 98 | Very high | 96.6 | Very high | 69 Ų | 69 | 40.3 Ų | 40.3 | 36% | 0.361 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.5 | -43.2 | 171.5 | -76.8 | 167.2 | 0 | 0 | 0 | 111.1 | R213 W214 K220 K221 P583 W584 P631 | R213-L217 WeakPolarHBondContact O-CG 3.26Å; R213-L217 PolarHBondContact O-N 2.88Å; W214-L217 PolarHBondContact O-N 3.36Å; L217-K220 PolarHBondContact O-N 2.76Å; L217-K221 WeakPolarHBondContact O-CB 3.47Å; L217-K221 PolarHBondContact O-N 3.37Å; L217-P583 HydrophobicContact CD1-CB 4.13Å; L217-P583 HydrophobicContact CD1-CG 4.4Å; L217-P583 HydrophobicContact CD2-CB 3.86Å; L217-P583 HydrophobicContact CD2-CG 4.39Å; L217-P583 HydrophobicContact CG-CB 3.84Å; L217-P583 HydrophobicContact CG-CG 3.93Å; L217-W584 HydrophobicContact CD2-CE3 3.84Å; L217-W584 HydrophobicContact CD2-CZ3 4.06Å; L217-W584 HydrophobicContact CG-CZ3 4.37Å; L217-P631 HydrophobicContact CD1-CG 4.17Å |
| 218 | T | 98 | Very high | 96.1 | Very high | 16 Ų | 16 | 41 Ų | 41 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.5 | -48.8 | 177.4 | -61 | 0 | 0 | 0 | 0 | 111.4 | W214 Q215 F216 K220 K221 Q222 I698 | W214-T218 PolarHBondContact O-N 2.94Å; W214-T218 PolarHBondContact O-OG1 3.09Å; Q215-T218 WeakPolarHBondContact O-CB 3.42Å; Q215-T218 PolarHBondContact O-N 2.93Å; F216-T218 VanDerWaalsContact C-N 3.31Å; F216-T218 PolarHBondContact O-N 2.95Å; T218-K220 VanDerWaalsContact C-N 3.34Å; T218-K220 PolarHBondContact O-N 3.47Å; T218-K221 PolarHBondContact O-N 3.45Å; T218-Q222 WeakPolarHBondContact O-CG 3.44Å; T218-Q222 PolarHBondContact O-N 3.38Å; T218-Q222 VanDerWaalsContact O-N 3.13Å; T218-I698 HydrophobicContact CG2-CD1 3.79Å |
| 219 | L | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.2 | -40.7 | 177 | -67.7 | 170.9 | 0 | 0 | 0 | 112.4 | Q215 F216 Q222 G223 K224 I225 L532 W539 N694 A697 I698 | Q215-L219 HydrophobicContact CG-CD1 4.15Å; Q215-L219 WeakPolarHBondContact O-CG 3.49Å; Q215-L219 PolarHBondContact O-N 3.3Å; F216-L219 PolarHBondContact O-N 2.93Å; L219-Q222 PolarHBondContact O-N 2.89Å; L219-G223 PolarHBondContact O-N 3.46Å; L219-K224 HydrophobicContact CB-CB 4.33Å; L219-K224 HydrophobicContact CD2-CB 4.36Å; L219-K224 HydrophobicContact CD2-CG 4.42Å; L219-K224 WeakPolarHBondContact O-CB 3.42Å; L219-K224 PolarHBondContact O-N 3.09Å; L219-I225 HydrophobicContact CB-CD1 3.74Å; L219-I225 HydrophobicContact CB-CG1 4.05Å; L219-L532 HydrophobicContact CD1-CD2 4.07Å; L219-W539 HydrophobicContact CD2-CH2 4.44Å; L219-W539 HydrophobicContact CD2-CZ2 4.5Å; L219-N694 VanDerWaalsContact CD1-OD1 3.28Å; L219-N694 WeakPolarHBondContact CD1-OD1 3.22Å; L219-A697 HydrophobicContact CD2-CB 3.62Å; L219-I698 HydrophobicContact CD2-CD1 4.36Å; L219-I698 HydrophobicContact CG-CD1 4.39Å |
| 220 | K | 96.7 | Very high | 94.7 | Very high | 88 Ų | 88 | 49.3 Ų | 49.3 | 38% | 0.383 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.8 | -42.9 | 176.1 | -176.5 | 174.9 | -171.1 | -64.4 | 0 | 112.1 | F216 L217 T218 Q222 G223 I225 W584 | F216-K220 WeakPolarHBondContact O-CB 3.49Å; F216-K220 PolarHBondContact O-N 3.37Å; L217-K220 PolarHBondContact O-N 2.76Å; T218-K220 VanDerWaalsContact C-N 3.34Å; T218-K220 PolarHBondContact O-N 3.47Å; K220-Q222 PolarHBondContact O-N 3.28Å; K220-G223 PolarHBondContact O-N 2.91Å; K220-I225 HydrophobicContact CB-CB 4.5Å; K220-I225 HydrophobicContact CB-CD1 4.27Å; K220-W584 HydrophobicContact CB-CH2 3.74Å; K220-W584 HydrophobicContact CB-CZ2 4.29Å; K220-W584 HydrophobicContact CB-CZ3 3.88Å; K220-W584 HydrophobicContact CD-CD2 3.36Å; K220-W584 VanDerWaalsContact CD-CE2 3.45Å; K220-W584 HydrophobicContact CD-CE3 3.45Å; K220-W584 VanDerWaalsContact CD-CE3 3.45Å; K220-W584 HydrophobicContact CD-CG 4.01Å; K220-W584 HydrophobicContact CD-CH2 3.72Å; K220-W584 HydrophobicContact CD-CZ2 3.65Å; K220-W584 HydrophobicContact CD-CZ3 3.63Å; K220-W584 HydrophobicContact CG-CH2 4.3Å; K220-W584 HydrophobicContact CG-CZ2 4.42Å; K220-W584 HydrophobicContact CG-CZ3 4.41Å |
| 221 | K | 96.2 | Very high | 94.2 | Very high | 185 Ų | 185 | 51.7 Ų | 51.7 | 80% | 0.804 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -60.2 | -31.9 | 177.1 | -176.6 | 179.6 | 176.3 | -177 | 0 | 111.9 | L217 T218 G223 | L217-K221 WeakPolarHBondContact O-CB 3.47Å; L217-K221 PolarHBondContact O-N 3.37Å; T218-K221 PolarHBondContact O-N 3.45Å; K221-G223 VanDerWaalsContact C-N 3.3Å |
| 222 | Q | 95.6 | Very high | 93.6 | Very high | 76 Ų | 76 | 52.6 Ų | 52.6 | 36% | 0.355 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 2.8 | 175.9 | -65.2 | 177.1 | 10.6 | 0 | 0 | 114.1 | T218 L219 K220 K224 A697 | T218-Q222 WeakPolarHBondContact O-CG 3.44Å; T218-Q222 PolarHBondContact O-N 3.38Å; T218-Q222 VanDerWaalsContact O-N 3.13Å; L219-Q222 PolarHBondContact O-N 2.89Å; K220-Q222 PolarHBondContact O-N 3.28Å; Q222-K224 HydrophobicContact CB-CG 4.01Å; Q222-K224 PolarHBondContact O-N 2.98Å; Q222-A697 PolarHBondContact NE2-O 3.16Å; Q222-A697 PolarHBondContact OE1-O 2.98Å |
| 223 | G | 95.3 | Very high | 93.1 | Very high | 45 Ų | 45 | 52.7 Ų | 52.7 | 46% | 0.464 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 14.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | L219 K220 K221 I225 | L219-G223 PolarHBondContact O-N 3.46Å; K220-G223 PolarHBondContact O-N 2.91Å; K221-G223 VanDerWaalsContact C-N 3.3Å; G223-I225 VanDerWaalsContact C-N 3.3Å |
| 224 | K | 96.5 | Very high | 92.7 | Very high | 34 Ų | 34 | 49.6 Ų | 49.6 | 15% | 0.148 | 24% | 0.235 | C | C | . | . | trans | -78.1 | -15.3 | 179.8 | -60 | -49.6 | -167.5 | -179.3 | 0 | 113.7 | L219 Q222 L532 D533 W539 | L219-K224 HydrophobicContact CB-CB 4.33Å; L219-K224 HydrophobicContact CD2-CB 4.36Å; L219-K224 HydrophobicContact CD2-CG 4.42Å; L219-K224 WeakPolarHBondContact O-CB 3.42Å; L219-K224 PolarHBondContact O-N 3.09Å; Q222-K224 HydrophobicContact CB-CG 4.01Å; Q222-K224 PolarHBondContact O-N 2.98Å; K224-L532 WeakPolarHBondContact O-CA 3Å; K224-D533 PolarHBondContact O-N 2.71Å; K224-W539 HydrophobicContact CB-CE3 4.32Å; K224-W539 HydrophobicContact CB-CH2 3.83Å; K224-W539 HydrophobicContact CB-CZ3 3.62Å; K224-W539 HydrophobicContact CD-CD2 3.99Å; K224-W539 HydrophobicContact CD-CE3 3.6Å; K224-W539 HydrophobicContact CD-CH2 4.35Å; K224-W539 HydrophobicContact CD-CZ3 3.81Å; K224-W539 HydrophobicContact CG-CE3 4.2Å; K224-W539 HydrophobicContact CG-CH2 4.05Å; K224-W539 HydrophobicContact CG-CZ2 4.47Å; K224-W539 HydrophobicContact CG-CZ3 3.91Å | ||
| 225 | I | 95.7 | Very high | 92.1 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.3 | 179.1 | -62.2 | 171.3 | 0 | 0 | 0 | 109.1 | F216 L219 K220 G223 W530 Y531 L532 W584 | F216-I225 HydrophobicContact CB-CD1 4.49Å; F216-I225 HydrophobicContact CD1-CD1 3.65Å; F216-I225 HydrophobicContact CE1-CD1 4.16Å; F216-I225 HydrophobicContact CG-CD1 4.27Å; L219-I225 HydrophobicContact CB-CD1 3.74Å; L219-I225 HydrophobicContact CB-CG1 4.05Å; K220-I225 HydrophobicContact CB-CB 4.5Å; K220-I225 HydrophobicContact CB-CD1 4.27Å; G223-I225 VanDerWaalsContact C-N 3.3Å; I225-W530 HydrophobicContact CG2-CE3 3.69Å; I225-W530 HydrophobicContact CG2-CZ3 4.31Å; I225-Y531 WeakPolarHBondContact CA-O 3.45Å; I225-L532 HydrophobicContact CD1-CD2 4.29Å; I225-L532 HydrophobicContact CG1-CD2 3.56Å; I225-L532 HydrophobicContact CG1-CG 4.47Å; I225-W584 HydrophobicContact CD1-CH2 3.75Å; I225-W584 HydrophobicContact CD1-CZ2 4.15Å; I225-W584 HydrophobicContact CG2-CZ2 4.17Å |
| 226 | Q | 92 | Very high | 91.5 | Very high | 77 Ų | 77 | 50.7 Ų | 50.7 | 36% | 0.36 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 164.7 | 179.1 | -61.7 | -176.1 | 33.5 | 0 | 0 | 110.8 | W530 Y531 D533 | Q226-W530 WeakPolarHBondContact O-CA 3.48Å; Q226-Y531 HydrophobicContact CB-CD2 4.18Å; Q226-Y531 HydrophobicContact CB-CE1 3.91Å; Q226-Y531 HydrophobicContact CB-CE2 3.51Å; Q226-Y531 WeakPolarHBondContact CB-OH 3.41Å; Q226-Y531 HydrophobicContact CG-CE2 4.23Å; Q226-Y531 PolarHBondContact N-O 2.99Å; Q226-Y531 WeakPolarHBondContact O-CD1 3.41Å; Q226-Y531 PolarHBondContact O-N 2.91Å; Q226-Y531 PolarHBondContact OE1-OH 2.75Å; Q226-D533 PolarHBondContact NE2-OD2 3.47Å; Q226-D533 VanDerWaalsContact NE2-OD2 3.15Å |
| 227 | Y | 90.4 | Very high | 90.6 | Very high | 111 Ų | 111 | 57.3 Ų | 57.3 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 138.1 | 179 | -174.8 | -102.6 | 0 | 0 | 0 | 110.1 | D528 W530 | Y227-D528 HydrophobicContact CE1-CB 4.49Å; Y227-D528 WeakPolarHBondContact OH-CB 3.13Å; Y227-W530 AromaticContact CD2-CD1 3.8Å; Y227-W530 AromaticContact CD2-CD2 3.62Å; Y227-W530 HydrophobicContact CD2-CD2 3.62Å; Y227-W530 AromaticContact CD2-CE2 3.55Å; Y227-W530 HydrophobicContact CD2-CE3 4.2Å; Y227-W530 AromaticContact CD2-CG 3.8Å; Y227-W530 HydrophobicContact CD2-CG 3.8Å; Y227-W530 HydrophobicContact CD2-CZ2 4.08Å; Y227-W530 AromaticContact CD2-NE1 3.66Å; Y227-W530 HydrophobicContact CE2-CG 4.46Å; Y227-W530 AromaticContact CE2-NE1 3.85Å; Y227-W530 HydrophobicContact CG-CD2 4.28Å; Y227-W530 HydrophobicContact CG-CE3 4.43Å; Y227-W530 HydrophobicContact CG-CZ2 4.36Å |
| 228 | G | 85.6 | Confident | 89.5 | Confident | 15 Ų | 15 | 57.9 Ų | 57.9 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.8 | 175.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q529 | G228-Q529 PolarHBondContact N-O 3.07Å; G228-Q529 PolarHBondContact O-N 3.42Å; G228-Q529 VanDerWaalsContact O-N 3.11Å |
| 229 | K | 83.4 | Confident | 88.5 | Confident | 116 Ų | 116 | 62.3 Ų | 62.3 | 50% | 0.504 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 129.4 | 172.9 | -71.5 | -168.6 | 178.1 | -170.7 | 0 | 110.6 | L526 C527 D528 | K229-L526 HydrophobicContact CB-CD1 3.84Å; K229-L526 HydrophobicContact CB-CD2 4.41Å; K229-L526 HydrophobicContact CB-CG 3.93Å; K229-L526 HydrophobicContact CD-CD2 4.25Å; K229-L526 HydrophobicContact CD-CG 4.28Å; K229-C527 CarbonylContact C-O 3.58Å; K229-C527 WeakPolarHBondContact CA-O 3.22Å; K229-D528 WeakPolarHBondContact CE-OD1 3.18Å; K229-D528 WeakPolarHBondContact CE-OD2 3.26Å; K229-D528 WeakPolarHBondContact CG-OD1 3.21Å |
| 230 | R | 80.8 | Confident | 87.5 | Confident | 88 Ų | 88 | 63.8 Ų | 63.8 | 33% | 0.332 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 143.8 | 179.1 | -70.6 | -64 | -172.1 | -104.4 | 11.1 | 111.5 | T232 L526 C527 Y531 E569 | R230-T232 PolarHBondContact O-N 2.99Å; R230-T232 PolarHBondContact O-OG1 2.85Å; R230-L526 CarbonylContact O-C 3.51Å; R230-L526 WeakPolarHBondContact O-CA 3.35Å; R230-C527 PolarHBondContact N-O 2.98Å; R230-C527 PolarHBondContact O-N 3.48Å; R230-Y531 HydrophobicContact CG-CD1 4.43Å; R230-Y531 PolarHBondContact NH2-OH 2.57Å; R230-Y531 VanDerWaalsContact NH2-OH 3.12Å; R230-E569 IonicContact CZ-OE1 2.85Å; R230-E569 IonicContact NE-OE1 2.72Å; R230-E569 IonicContact NH2-OE1 2.78Å; R230-E569 PolarHBondContact NH2-OE1 3.49Å |
| 231 | Y | 86.4 | Confident | 86.6 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 28% | 0.282 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 114.8 | 169.6 | -68.7 | -72.6 | 0 | 0 | 0 | 107.6 | P255 Q334 Y508 V524 A525 L526 | Y231-P255 WeakPolarHBondContact O-CG 3.25Å; Y231-Q334 HydrophobicContact CD1-CG 4.24Å; Y231-Q334 HydrophobicContact CE1-CB 4.41Å; Y231-Q334 HydrophobicContact CE1-CG 3.95Å; Y231-Y508 AromaticContact CD1-CD2 3.6Å; Y231-Y508 HydrophobicContact CD1-CD2 3.6Å; Y231-Y508 HydrophobicContact CD1-CE2 4.18Å; Y231-Y508 AromaticContact CD1-CG 3.88Å; Y231-Y508 HydrophobicContact CD1-CG 3.88Å; Y231-Y508 HydrophobicContact CD2-CD1 4.24Å; Y231-Y508 AromaticContact CD2-CD2 3.63Å; Y231-Y508 HydrophobicContact CD2-CD2 3.63Å; Y231-Y508 AromaticContact CD2-CE1 3.99Å; Y231-Y508 HydrophobicContact CD2-CE1 3.99Å; Y231-Y508 AromaticContact CD2-CE2 3.36Å; Y231-Y508 HydrophobicContact CD2-CE2 3.36Å; Y231-Y508 HydrophobicContact CD2-CG 4.07Å; Y231-Y508 AromaticContact CD2-CZ 3.55Å; Y231-Y508 AromaticContact CE1-CD2 3.44Å; Y231-Y508 HydrophobicContact CE1-CD2 3.44Å; Y231-Y508 VanDerWaalsContact CE1-CD2 3.44Å; Y231-Y508 AromaticContact CE1-CE2 3.91Å; Y231-Y508 HydrophobicContact CE1-CE2 3.91Å; Y231-Y508 HydrophobicContact CE1-CG 4.19Å; Y231-Y508 AromaticContact CE2-CD2 3.5Å; Y231-Y508 HydrophobicContact CE2-CD2 3.5Å; Y231-Y508 HydrophobicContact CE2-CE1 4.46Å; Y231-Y508 AromaticContact CE2-CE2 3.03Å; Y231-Y508 HydrophobicContact CE2-CE2 3.03Å; Y231-Y508 HydrophobicContact CE2-CG 4.39Å; Y231-Y508 AromaticContact CE2-CZ 3.6Å; Y231-Y508 HydrophobicContact CG-CD1 4.15Å; Y231-Y508 AromaticContact CG-CD2 3.67Å; Y231-Y508 HydrophobicContact CG-CD2 3.67Å; Y231-Y508 HydrophobicContact CG-CE1 4.36Å; Y231-Y508 AromaticContact CG-CE2 3.92Å; Y231-Y508 HydrophobicContact CG-CE2 3.92Å; Y231-Y508 AromaticContact CG-CG 3.8Å; Y231-Y508 HydrophobicContact CG-CG 3.8Å; Y231-Y508 AromaticContact CZ-CD2 3.39Å; Y231-Y508 AromaticContact CZ-CE2 3.33Å; Y231-V524 HydrophobicContact CD1-CG1 3.84Å; Y231-V524 HydrophobicContact CG-CG1 4.21Å; Y231-A525 CarbonylContact C-O 3.54Å; Y231-A525 WeakPolarHBondContact CA-O 3.5Å; Y231-L526 HydrophobicContact CD1-CB 4.29Å; Y231-L526 HydrophobicContact CD1-CD1 4.09Å; Y231-L526 HydrophobicContact CD2-CD1 4.17Å; Y231-L526 HydrophobicContact CE1-CB 4.14Å; Y231-L526 HydrophobicContact CE1-CD1 4.03Å; Y231-L526 HydrophobicContact CE1-CG 4.5Å; Y231-L526 HydrophobicContact CE2-CD1 4.08Å; Y231-L526 HydrophobicContact CG-CD1 4.18Å |
| 232 | T | 85.9 | Confident | 85.9 | Confident | 19 Ų | 19 | 52 Ų | 52 | 12% | 0.117 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 141 | -175.3 | -51.8 | 0 | 0 | 0 | 0 | 108.8 | R230 F234 P241 V524 A525 | R230-T232 PolarHBondContact O-N 2.99Å; R230-T232 PolarHBondContact O-OG1 2.85Å; T232-F234 PolarHBondContact O-N 3.06Å; T232-P241 HydrophobicContact CG2-CB 3.86Å; T232-V524 WeakPolarHBondContact O-CA 3.19Å; T232-A525 PolarHBondContact N-O 3.47Å; T232-A525 PolarHBondContact O-N 2.73Å |
| 233 | I | 88.8 | Confident | 84.9 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 129.4 | 169.2 | -58.1 | -65.1 | 0 | 0 | 0 | 107.7 | P241 C242 P255 P510 V514 A522 V523 V524 | I233-P241 CarbonylContact O-C 3.58Å; I233-P241 WeakPolarHBondContact O-CA 3.49Å; I233-C242 HydrophobicContact CG2-CB 4.27Å; I233-C242 PolarHBondContact O-N 3.39Å; I233-P255 HydrophobicContact CD1-CG 4.22Å; I233-P255 HydrophobicContact CG1-CG 4.43Å; I233-P510 HydrophobicContact CD1-CB 3.91Å; I233-P510 HydrophobicContact CD1-CG 3.92Å; I233-V514 HydrophobicContact CG2-CB 4.38Å; I233-V514 HydrophobicContact CG2-CG1 3.9Å; I233-V514 HydrophobicContact CG2-CG2 4.46Å; I233-A522 HydrophobicContact CG2-CB 3.69Å; I233-V523 CarbonylContact C-O 3.58Å; I233-V524 HydrophobicContact CD1-CG2 3.92Å |
| 234 | F | 88.6 | Confident | 83.7 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 6% | 0.057 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 133 | -163.4 | -172.1 | -90.5 | 0 | 0 | 0 | 110.7 | T232 A236 N239 Q240 P241 Y333 A522 V523 A525 C527 | T232-F234 PolarHBondContact O-N 3.06Å; F234-A236 PolarHBondContact O-N 2.88Å; F234-N239 VanDerWaalsContact CZ-CA 3.49Å; F234-N239 HydrophobicContact CZ-CB 4.37Å; F234-N239 WeakPolarHBondContact CZ-O 3.33Å; F234-N239 WeakPolarHBondContact CZ-OD1 3.39Å; F234-Q240 WeakPolarHBondContact CD2-O 3.43Å; F234-P241 HydrophobicContact CD2-CG 4.38Å; F234-Y333 HydrophobicContact CD1-CD1 4.05Å; F234-Y333 HydrophobicContact CD1-CE1 4.13Å; F234-Y333 AromaticContact CE1-CD1 3.74Å; F234-Y333 HydrophobicContact CE1-CD1 3.74Å; F234-Y333 AromaticContact CE1-CE1 3.54Å; F234-Y333 HydrophobicContact CE1-CE1 3.54Å; F234-Y333 HydrophobicContact CZ-CD1 4.48Å; F234-Y333 HydrophobicContact CZ-CE1 4.39Å; F234-A522 WeakPolarHBondContact O-CA 3.22Å; F234-V523 HydrophobicContact CB-CG2 4.18Å; F234-V523 HydrophobicContact CD1-CG2 4.09Å; F234-V523 PolarHBondContact N-O 3Å; F234-V523 PolarHBondContact O-N 3.08Å; F234-A525 HydrophobicContact CB-CB 3.55Å; F234-A525 HydrophobicContact CD1-CB 4.03Å; F234-A525 HydrophobicContact CD2-CB 3.72Å; F234-A525 HydrophobicContact CE2-CB 4.38Å; F234-A525 HydrophobicContact CG-CB 3.51Å; F234-C527 VanDerWaalsContact CD2-SG 3.59Å |
| 235 | S | 86.9 | Confident | 82.2 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 104.5 | 171.3 | -179.7 | 0 | 0 | 0 | 0 | 108.5 | R237 D238 N239 Q240 | S235-R237 PolarHBondContact O-N 3.27Å; S235-D238 WeakPolarHBondContact CB-OD2 3.4Å; S235-D238 PolarHBondContact O-N 2.91Å; S235-D238 WeakPolarHBondContact OG-CB 3.43Å; S235-D238 VanDerWaalsContact OG-CG 3.28Å; S235-D238 PolarHBondContact OG-N 3.42Å; S235-D238 PolarHBondContact OG-OD2 2.83Å; S235-N239 VanDerWaalsContact O-CA 3.31Å; S235-N239 WeakPolarHBondContact O-CA 3.35Å; S235-N239 PolarHBondContact O-N 3.36Å; S235-Q240 PolarHBondContact N-O 3.04Å; S235-Q240 PolarHBondContact O-N 3.17Å |
| 236 | A | 84.3 | Confident | 80.8 | Confident | 24 Ų | 24 | 49.6 Ų | 49.6 | 20% | 0.198 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -33.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | F234 Y333 V523 | F234-A236 PolarHBondContact O-N 2.88Å; A236-Y333 HydrophobicContact CB-CE2 3.68Å; A236-Y333 WeakPolarHBondContact CB-OH 3.3Å; A236-Y333 PolarHBondContact O-OH 3.36Å; A236-V523 HydrophobicContact CB-CG2 4.14Å |
| 237 | R | 80.2 | Confident | 80.1 | Confident | 139 Ų | 139 | 47 Ų | 47 | 53% | 0.525 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -48.7 | 179 | 179 | 179.5 | 178.3 | -175.8 | 3.4 | 112.9 | S235 G518 D520 | S235-R237 PolarHBondContact O-N 3.27Å; R237-G518 PolarHBondContact NH1-O 2.94Å; R237-D520 WeakPolarHBondContact CD-OD2 3.37Å; R237-D520 IonicContact CZ-OD2 3.78Å; R237-D520 IonicContact NE-OD2 3.71Å; R237-D520 IonicContact NH1-OD2 2.86Å; R237-D520 PolarHBondContact NH1-OD2 3.13Å |
| 238 | D | 73.4 | Confident | 79.3 | Confident | 80 Ų | 80 | 46 Ų | 46 | 43% | 0.428 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -8.2 | -178.3 | -52 | -52 | 0 | 0 | 0 | 111.9 | S235 Q240 | S235-D238 WeakPolarHBondContact CB-OD2 3.4Å; S235-D238 PolarHBondContact O-N 2.91Å; S235-D238 WeakPolarHBondContact OG-CB 3.43Å; S235-D238 VanDerWaalsContact OG-CG 3.28Å; S235-D238 PolarHBondContact OG-N 3.42Å; S235-D238 PolarHBondContact OG-OD2 2.83Å; D238-Q240 VanDerWaalsContact C-N 3.32Å; D238-Q240 HydrophobicContact CB-CG 3.85Å; D238-Q240 PolarHBondContact O-N 3.33Å |
| 239 | N | 77.2 | Confident | 78.9 | Confident | 110 Ų | 110 | 48.8 Ų | 48.8 | 59% | 0.588 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 44.6 | -177.5 | -161.4 | 46.6 | 0 | 0 | 0 | 113.2 | F234 S235 | F234-N239 VanDerWaalsContact CZ-CA 3.49Å; F234-N239 HydrophobicContact CZ-CB 4.37Å; F234-N239 WeakPolarHBondContact CZ-O 3.33Å; F234-N239 WeakPolarHBondContact CZ-OD1 3.39Å; S235-N239 VanDerWaalsContact O-CA 3.31Å; S235-N239 WeakPolarHBondContact O-CA 3.35Å; S235-N239 PolarHBondContact O-N 3.36Å |
| 240 | Q | 77 | Confident | 78.6 | Confident | 30 Ų | 30 | 43.9 Ų | 43.9 | 14% | 0.14 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 157 | 179.3 | 63.3 | -177.5 | -25 | 0 | 0 | 112.8 | F234 S235 D238 C242 | F234-Q240 WeakPolarHBondContact CD2-O 3.43Å; S235-Q240 PolarHBondContact N-O 3.04Å; S235-Q240 PolarHBondContact O-N 3.17Å; D238-Q240 VanDerWaalsContact C-N 3.32Å; D238-Q240 HydrophobicContact CB-CG 3.85Å; D238-Q240 PolarHBondContact O-N 3.33Å; Q240-C242 PolarHBondContact O-N 3.41Å |
| 241 | P | 79.5 | Confident | 78.4 | Confident | 20 Ų | 20 | 46.1 Ų | 46.1 | 13% | 0.13 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.4 | 133.4 | 168.1 | -28.1 | 37.2 | 0 | 0 | 0 | 112 | T232 I233 F234 C527 | T232-P241 HydrophobicContact CG2-CB 3.86Å; I233-P241 CarbonylContact O-C 3.58Å; I233-P241 WeakPolarHBondContact O-CA 3.49Å; F234-P241 HydrophobicContact CD2-CG 4.38Å; P241-C527 HydrophobicContact CG-CB 4.49Å |
| 242 | C | 80.7 | Confident | 77.7 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | trans | -102.2 | 101.9 | 178.1 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | I233 Q240 R247 | I233-C242 HydrophobicContact CG2-CB 4.27Å; I233-C242 PolarHBondContact O-N 3.39Å; Q240-C242 PolarHBondContact O-N 3.41Å; C242-R247 PolarHBondContact O-NE 2.94Å; C242-R247 PolarHBondContact O-NH2 2.75Å | ||
| 243 | M | 74.3 | Confident | 77.5 | Confident | 15 Ų | 15 | 44.9 Ų | 44.9 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | trans | -72.2 | 158.8 | -176.8 | -60.3 | -58 | -68.6 | 0 | 0 | 111 | H245 E246 A571 E591 | M243-H245 PolarHBondContact O-N 3.22Å; M243-E246 HydrophobicContact CB-CG 4.08Å; M243-E246 PolarHBondContact N-OE2 3.5Å; M243-E246 WeakPolarHBondContact O-CB 3.32Å; M243-E246 PolarHBondContact O-N 3.31Å; M243-A571 HydrophobicContact CE-CB 4.27Å; M243-A571 WeakPolarHBondContact CE-O 3.27Å; M243-E591 HydrophobicContact CE-CG 4.24Å | ||
| 244 | D | 69.8 | Low | 77.2 | Confident | 41 Ų | 41 | 47.7 Ų | 47.7 | 22% | 0.219 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -56.5 | -46.2 | -169.8 | -156.3 | 42.4 | 0 | 0 | 0 | 113.5 | E246 R247 E251 G252 | D244-E246 PolarHBondContact O-N 2.86Å; D244-E246 VanDerWaalsContact O-N 3.16Å; D244-R247 WeakPolarHBondContact O-CB 3.27Å; D244-R247 WeakPolarHBondContact O-CG 3.17Å; D244-R247 PolarHBondContact O-N 2.96Å; D244-R247 IonicContact OD1-CZ 2.75Å; D244-R247 IonicContact OD1-NE 3.9Å; D244-R247 IonicContact OD1-NH1 3.96Å; D244-R247 PolarHBondContact OD1-NH1 3.32Å; D244-E251 VanDerWaalsContact OD1-CA 3.25Å; D244-E251 WeakPolarHBondContact OD1-CA 3.33Å; D244-G252 PolarHBondContact OD1-N 2.8Å; D244-G252 PolarHBondContact OD2-N 3.44Å |
| 245 | H | 65.8 | Low | 77.3 | Confident | 45 Ų | 45 | 48.9 Ų | 48.9 | 21% | 0.208 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -70.3 | -8 | 178.7 | 56.9 | -89.6 | 0 | 0 | 0 | 114.6 | M243 R517 E591 S592 | M243-H245 PolarHBondContact O-N 3.22Å; H245-R517 PolarHBondContact O-NH2 3.34Å; H245-R517 VanDerWaalsContact O-NH2 3.09Å; H245-E591 IonicContact CE1-OE2 3.12Å; H245-S592 PolarHBondContact CE1-OG 3.02Å; H245-S592 VanDerWaalsContact CE1-OG 3.24Å; H245-S592 PolarHBondContact NE2-OG 2.75Å |
| 246 | E | 66.2 | Low | 77.5 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -95.9 | -2.3 | 178.4 | -54.4 | 177.1 | 155.3 | 0 | 0 | 112.3 | T93 M243 D244 R517 R574 | T93-E246 WeakPolarHBondContact CB-OE1 3.46Å; T93-E246 WeakPolarHBondContact CG2-OE1 3.08Å; T93-E246 VanDerWaalsContact OG1-CD 3.27Å; T93-E246 PolarHBondContact OG1-OE1 2.99Å; M243-E246 HydrophobicContact CB-CG 4.08Å; M243-E246 PolarHBondContact N-OE2 3.5Å; M243-E246 WeakPolarHBondContact O-CB 3.32Å; M243-E246 PolarHBondContact O-N 3.31Å; D244-E246 PolarHBondContact O-N 2.86Å; D244-E246 VanDerWaalsContact O-N 3.16Å; E246-R517 VanDerWaalsContact O-CG 3.3Å; E246-R517 WeakPolarHBondContact O-CG 3.44Å; E246-R517 PolarHBondContact O-N 3.25Å; E246-R574 IonicContact OE1-NH1 3.6Å |
| 247 | R | 77.9 | Confident | 78 | Confident | 22 Ų | 22 | 53.1 Ų | 53.1 | 8% | 0.083 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 148.3 | -179 | -59.8 | 170.6 | -169.5 | -178.6 | 7.9 | 110.4 | C242 D244 G250 E251 V253 V514 | C242-R247 PolarHBondContact O-NE 2.94Å; C242-R247 PolarHBondContact O-NH2 2.75Å; D244-R247 WeakPolarHBondContact O-CB 3.27Å; D244-R247 WeakPolarHBondContact O-CG 3.17Å; D244-R247 PolarHBondContact O-N 2.96Å; D244-R247 IonicContact OD1-CZ 2.75Å; D244-R247 IonicContact OD1-NE 3.9Å; D244-R247 IonicContact OD1-NH1 3.96Å; D244-R247 PolarHBondContact OD1-NH1 3.32Å; R247-G250 VanDerWaalsContact CD-O 3.25Å; R247-G250 WeakPolarHBondContact CD-O 2.98Å; R247-G250 PolarHBondContact NH1-O 2.99Å; R247-E251 HydrophobicContact CB-CG 4.42Å; R247-V253 PolarHBondContact NH1-O 3.11Å; R247-V514 HydrophobicContact CB-CG1 4.45Å; R247-V514 HydrophobicContact CG-CG1 3.82Å |
| 248 | T | 71.8 | Confident | 78.7 | Confident | 91 Ų | 91 | 47.4 Ų | 47.4 | 56% | 0.558 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -33.6 | 170.1 | -54.5 | 0 | 0 | 0 | 0 | 110.6 | V515 T516 R517 | T248-V515 PolarHBondContact N-O 2.93Å; T248-T516 PolarHBondContact OG1-O 2.97Å; T248-R517 WeakPolarHBondContact OG1-CA 3.21Å |
| 249 | V | 77.7 | Confident | 79.9 | Confident | 72 Ų | 72 | 43.7 Ų | 43.7 | 44% | 0.436 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 142.7 | 173.7 | -179 | 0 | 0 | 0 | 0 | 107.4 | V514 V515 | V249-V514 WeakPolarHBondContact O-CA 3.49Å; V249-V515 HydrophobicContact CB-CB 3.99Å; V249-V515 HydrophobicContact CB-CG2 4Å; V249-V515 HydrophobicContact CG2-CB 4.23Å; V249-V515 HydrophobicContact CG2-CG2 4.25Å; V249-V515 PolarHBondContact N-O 2.85Å; V249-V515 PolarHBondContact O-N 3.27Å |
| 250 | G | 77.6 | Confident | 80.9 | Confident | 14 Ų | 14 | 38.4 Ų | 38.4 | 14% | 0.144 | 22% | 0.218 | C | C | . | . | trans | 90.1 | 30.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R247 V253 | R247-G250 VanDerWaalsContact CD-O 3.25Å; R247-G250 WeakPolarHBondContact CD-O 2.98Å; R247-G250 PolarHBondContact NH1-O 2.99Å; G250-V253 VanDerWaalsContact CA-CG2 3.47Å; G250-V253 VanDerWaalsContact O-CB 3.27Å; G250-V253 WeakPolarHBondContact O-CB 3.41Å; G250-V253 WeakPolarHBondContact O-CG2 3.45Å; G250-V253 PolarHBondContact O-N 2.89Å; G250-V253 VanDerWaalsContact O-N 3.16Å | ||
| 251 | E | 75.8 | Confident | 81.9 | Confident | 135 Ų | 135 | 37 Ų | 37 | 63% | 0.631 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | 137.3 | 162.7 | -68.9 | 175.8 | 178.7 | 0 | 0 | 109.7 | D244 R247 V253 | D244-E251 VanDerWaalsContact OD1-CA 3.25Å; D244-E251 WeakPolarHBondContact OD1-CA 3.33Å; R247-E251 HydrophobicContact CB-CG 4.42Å; E251-V253 PolarHBondContact O-N 3.48Å |
| 252 | G | 71.6 | Confident | 82.8 | Confident | 50 Ų | 50 | 36.2 Ų | 36.2 | 52% | 0.515 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | -7.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | D244 | D244-G252 PolarHBondContact OD1-N 2.8Å; D244-G252 PolarHBondContact OD2-N 3.44Å |
| 253 | V | 82.5 | Confident | 83.6 | Confident | 15 Ų | 15 | 35.9 Ų | 35.9 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | trans | -70.9 | 132.6 | -179.5 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | R247 G250 E251 P510 E511 N512 V514 | R247-V253 PolarHBondContact NH1-O 3.11Å; G250-V253 VanDerWaalsContact CA-CG2 3.47Å; G250-V253 VanDerWaalsContact O-CB 3.27Å; G250-V253 WeakPolarHBondContact O-CB 3.41Å; G250-V253 WeakPolarHBondContact O-CG2 3.45Å; G250-V253 PolarHBondContact O-N 2.89Å; G250-V253 VanDerWaalsContact O-N 3.16Å; E251-V253 PolarHBondContact O-N 3.48Å; V253-P510 HydrophobicContact CG1-CB 4.18Å; V253-E511 HydrophobicContact CG1-CB 4.14Å; V253-N512 HydrophobicContact CG1-CB 4.42Å; V253-N512 HydrophobicContact CG2-CB 3.95Å; V253-V514 HydrophobicContact CB-CG2 3.62Å; V253-V514 HydrophobicContact CG1-CG2 3.55Å; V253-V514 HydrophobicContact CG2-CG2 4.17Å | ||
| 254 | V | 83.2 | Confident | 84.7 | Confident | 61 Ų | 61 | 39.6 Ų | 39.6 | 37% | 0.37 | 22% | 0.22 | S | C | . | . | trans | -113 | 164.6 | 178.5 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | Q256 E511 | V254-Q256 PolarHBondContact O-N 3.12Å; V254-E511 WeakPolarHBondContact O-CB 3.23Å; V254-E511 PolarHBondContact O-N 3.45Å | ||
| 255 | P | 89.7 | Confident | 86 | Confident | 38 Ų | 38 | 38.5 Ų | 38.5 | 25% | 0.247 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 128.8 | 168.4 | -24.2 | 35.8 | 0 | 0 | 0 | 112 | Y231 I233 Y508 V524 | Y231-P255 WeakPolarHBondContact O-CG 3.25Å; I233-P255 HydrophobicContact CD1-CG 4.22Å; I233-P255 HydrophobicContact CG1-CG 4.43Å; P255-Y508 HydrophobicContact CB-CD1 3.98Å; P255-V524 HydrophobicContact CB-CG1 4.01Å; P255-V524 HydrophobicContact CB-CG2 3.81Å; P255-V524 HydrophobicContact CG-CG1 4.21Å; P255-V524 HydrophobicContact CG-CG2 4.04Å |
| 256 | Q | 91.8 | Very high | 87.4 | Confident | 59 Ų | 59 | 40.3 Ų | 40.3 | 28% | 0.276 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 124.1 | 172.5 | 174.8 | 62.1 | 74.8 | 0 | 0 | 110 | V254 Y258 L290 Y508 E509 E511 | V254-Q256 PolarHBondContact O-N 3.12Å; Q256-Y258 HydrophobicContact CB-CE2 4.3Å; Q256-Y258 HydrophobicContact CG-CD2 4.08Å; Q256-Y258 HydrophobicContact CG-CE2 3.6Å; Q256-L290 HydrophobicContact CG-CD2 4.21Å; Q256-Y508 VanDerWaalsContact O-CA 3.27Å; Q256-Y508 WeakPolarHBondContact O-CA 3.38Å; Q256-E509 PolarHBondContact N-O 2.94Å; Q256-E509 PolarHBondContact O-N 3.12Å; Q256-E509 VanDerWaalsContact O-N 3.09Å; Q256-E511 HydrophobicContact CB-CB 4.06Å; Q256-E511 HydrophobicContact CB-CG 4.45Å |
| 257 | E | 94 | Very high | 88.7 | Confident | 58 Ų | 58 | 41.4 Ų | 41.4 | 27% | 0.271 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 134.7 | 173.1 | -169.1 | -177.6 | 102.9 | 0 | 0 | 111.3 | L290 Q495 I506 Y508 | E257-L290 WeakPolarHBondContact O-CD2 3.48Å; E257-Q495 PolarHBondContact OE1-NE2 3.17Å; E257-Q495 PolarHBondContact OE1-OE1 2.83Å; E257-I506 HydrophobicContact CG-CG2 3.94Å; E257-Y508 HydrophobicContact CB-CD1 3.94Å; E257-Y508 HydrophobicContact CB-CE1 3.46Å; E257-Y508 VanDerWaalsContact CB-CE1 3.46Å; E257-Y508 HydrophobicContact CB-CE2 4.46Å; E257-Y508 HydrophobicContact CG-CD1 4.49Å; E257-Y508 HydrophobicContact CG-CE1 3.9Å; E257-Y508 HydrophobicContact CG-CE2 4.02Å; E257-Y508 VanDerWaalsContact OE2-CZ 3.31Å; E257-Y508 PolarHBondContact OE2-OH 3.16Å |
| 258 | Y | 96 | Very high | 89.4 | Confident | 18 Ų | 18 | 48 Ų | 48 | 7% | 0.071 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 156 | 164.5 | -69.5 | -96.7 | 0 | 0 | 0 | 110.4 | Q256 A288 L290 K384 Y507 E509 | Q256-Y258 HydrophobicContact CB-CE2 4.3Å; Q256-Y258 HydrophobicContact CG-CD2 4.08Å; Q256-Y258 HydrophobicContact CG-CE2 3.6Å; Y258-A288 HydrophobicContact CD1-CB 3.92Å; Y258-A288 HydrophobicContact CE1-CB 4.5Å; Y258-A288 HydrophobicContact CG-CB 4.29Å; Y258-L290 HydrophobicContact CD1-CD2 3.63Å; Y258-L290 HydrophobicContact CD1-CG 3.85Å; Y258-L290 HydrophobicContact CD2-CD2 4.47Å; Y258-L290 HydrophobicContact CE1-CD1 4.25Å; Y258-L290 HydrophobicContact CE1-CD2 3.7Å; Y258-L290 HydrophobicContact CE1-CG 3.66Å; Y258-L290 HydrophobicContact CG-CD2 4.05Å; Y258-K384 WeakPolarHBondContact OH-CE 3.33Å; Y258-Y507 HydrophobicContact CD2-CD1 4.27Å; Y258-Y507 HydrophobicContact CD2-CE1 4.43Å; Y258-Y507 PolarHBondContact N-O 3.38Å; Y258-Y507 PolarHBondContact O-N 3.08Å; Y258-Y507 VanDerWaalsContact O-O 3.12Å; Y258-E509 HydrophobicContact CD2-CG 4.04Å; Y258-E509 HydrophobicContact CE2-CG 3.63Å; Y258-E509 WeakPolarHBondContact CE2-OE1 3.41Å |
| 259 | T | 97.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 119.2 | 165.2 | -50.5 | 0 | 0 | 0 | 0 | 108.6 | I261 T289 P292 Q495 A504 | T259-I261 HydrophobicContact CG2-CD1 3.85Å; T259-T289 PolarHBondContact N-O 3.36Å; T259-T289 PolarHBondContact O-N 3.23Å; T259-P292 HydrophobicContact CG2-CB 4.12Å; T259-Q495 HydrophobicContact CG2-CG 4.18Å; T259-Q495 WeakPolarHBondContact OG1-CG 3.32Å; T259-Q495 PolarHBondContact OG1-NE2 3.42Å; T259-A504 HydrophobicContact CG2-CB 3.63Å |
| 260 | L | 98.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 108.2 | 174.3 | -55.8 | -172.2 | 0 | 0 | 0 | 110 | V286 A287 A288 M331 T386 A504 I505 Y507 | L260-V286 HydrophobicContact CB-CB 4.31Å; L260-V286 HydrophobicContact CD1-CB 4.46Å; L260-A287 CarbonylContact C-O 3.42Å; L260-A287 WeakPolarHBondContact CA-O 2.87Å; L260-A288 HydrophobicContact CD2-CB 3.69Å; L260-M331 HydrophobicContact CD1-CE 3.44Å; L260-M331 VanDerWaalsContact CD1-CE 3.44Å; L260-M331 HydrophobicContact CD1-SD 4.14Å; L260-T386 HydrophobicContact CD1-CG2 4.25Å; L260-T386 HydrophobicContact CD2-CG2 3.6Å; L260-A504 CarbonylContact O-C 3.53Å; L260-A504 WeakPolarHBondContact O-CA 3.29Å; L260-A504 WeakPolarHBondContact O-CB 3.5Å; L260-I505 HydrophobicContact CB-CB 4.24Å; L260-I505 PolarHBondContact N-O 3.18Å; L260-I505 PolarHBondContact O-N 3.11Å; L260-Y507 HydrophobicContact CD1-CD2 4.12Å; L260-Y507 HydrophobicContact CD1-CG 3.84Å; L260-Y507 HydrophobicContact CD2-CD1 3.92Å; L260-Y507 HydrophobicContact CD2-CG 4Å; L260-Y507 VanDerWaalsContact CG-CB 3.45Å; L260-Y507 HydrophobicContact CG-CD1 4.44Å; L260-Y507 HydrophobicContact CG-CG 4.02Å |
| 261 | I | 98.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 125.9 | 177.9 | -53.2 | -63.1 | 0 | 0 | 0 | 109.2 | T259 L263 V286 A287 T289 M295 P364 T390 L498 A504 | T259-I261 HydrophobicContact CG2-CD1 3.85Å; I261-L263 HydrophobicContact CG2-CD2 3.92Å; I261-L263 PolarHBondContact O-N 2.78Å; I261-V286 WeakPolarHBondContact O-CA 3.32Å; I261-A287 PolarHBondContact N-O 2.88Å; I261-A287 PolarHBondContact O-N 3.34Å; I261-T289 HydrophobicContact CD1-CG2 4.22Å; I261-T289 HydrophobicContact CG1-CG2 3.79Å; I261-M295 HydrophobicContact CD1-CG 3.79Å; I261-M295 HydrophobicContact CD1-SD 4Å; I261-M295 HydrophobicContact CG1-CG 4.13Å; I261-M295 HydrophobicContact CG1-SD 3.63Å; I261-M295 HydrophobicContact CG2-SD 4.45Å; I261-P364 HydrophobicContact CG2-CG 4.1Å; I261-T390 HydrophobicContact CB-CG2 4.03Å; I261-T390 HydrophobicContact CG1-CG2 4.08Å; I261-T390 HydrophobicContact CG2-CG2 4.39Å; I261-L498 HydrophobicContact CD1-CD1 3.85Å; I261-A504 HydrophobicContact CD1-CB 4.15Å |
| 262 | K | 98.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.013 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 100.6 | -179.2 | -64.7 | -175.6 | -168.7 | 167.4 | 0 | 110.8 | K264 F284 V286 P364 N502 D503 | K262-K264 PolarHBondContact O-N 3Å; K262-F284 HydrophobicContact CB-CB 4.24Å; K262-F284 HydrophobicContact CB-CD1 3.57Å; K262-F284 HydrophobicContact CB-CE1 4.01Å; K262-F284 HydrophobicContact CB-CG 3.99Å; K262-F284 HydrophobicContact CD-CD1 4.5Å; K262-F284 HydrophobicContact CD-CG 4.48Å; K262-F284 HydrophobicContact CG-CD1 4.49Å; K262-F284 HydrophobicContact CG-CG 4.5Å; K262-V286 HydrophobicContact CG-CG1 4.37Å; K262-P364 WeakPolarHBondContact O-CD 3.17Å; K262-P364 WeakPolarHBondContact O-CG 3.17Å; K262-N502 WeakPolarHBondContact CD-O 3.17Å; K262-N502 WeakPolarHBondContact CE-O 3.5Å; K262-N502 VanDerWaalsContact NZ-CG 3.34Å; K262-N502 PolarHBondContact NZ-O 2.96Å; K262-N502 PolarHBondContact NZ-OD1 3.19Å; K262-D503 VanDerWaalsContact CB-O 3.31Å; K262-D503 WeakPolarHBondContact CB-O 3.4Å; K262-D503 PolarHBondContact N-O 3.17Å |
| 263 | L | 98.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 100.6 | 176.5 | -53.3 | 177.1 | 0 | 0 | 0 | 109.3 | I261 V265 F284 L285 A287 C301 V361 A363 | I261-L263 HydrophobicContact CG2-CD2 3.92Å; I261-L263 PolarHBondContact O-N 2.78Å; L263-V265 PolarHBondContact O-N 3.37Å; L263-F284 WeakPolarHBondContact O-CA 3.47Å; L263-L285 HydrophobicContact CB-CB 4.3Å; L263-L285 WeakPolarHBondContact CB-O 3.44Å; L263-L285 PolarHBondContact N-O 2.97Å; L263-L285 PolarHBondContact O-N 3.46Å; L263-A287 HydrophobicContact CD1-CB 3.89Å; L263-A287 HydrophobicContact CG-CB 4.39Å; L263-C301 HydrophobicContact CD1-CB 3.35Å; L263-V361 HydrophobicContact CB-CB 4.04Å; L263-V361 HydrophobicContact CB-CG1 4.45Å; L263-V361 HydrophobicContact CB-CG2 4.1Å; L263-A363 HydrophobicContact CD2-CB 3.64Å |
| 264 | K | 97.5 | Very high | 92.7 | Very high | 93 Ų | 93 | 48.4 Ų | 48.4 | 40% | 0.404 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 123.6 | -173.7 | -172 | 178.1 | 177.9 | 177 | 0 | 110.7 | K262 I266 F284 V361 K362 | K262-K264 PolarHBondContact O-N 3Å; K264-I266 HydrophobicContact CG-CG2 4.44Å; K264-I266 PolarHBondContact O-N 2.66Å; K264-F284 VanDerWaalsContact CA-CD1 3.42Å; K264-F284 HydrophobicContact CB-CD1 3.68Å; K264-F284 HydrophobicContact CB-CE1 3.53Å; K264-F284 HydrophobicContact CD-CE1 4.26Å; K264-F284 HydrophobicContact CG-CD1 4.17Å; K264-F284 HydrophobicContact CG-CE1 3.81Å; K264-F284 HydrophobicContact CG-CZ 4.42Å; K264-V361 CarbonylContact O-C 3.57Å; K264-V361 WeakPolarHBondContact O-CA 2.95Å; K264-K362 HydrophobicContact CB-CB 4.29Å; K264-K362 PolarHBondContact N-O 2.87Å; K264-K362 PolarHBondContact O-N 2.98Å |
| 265 | V | 97.2 | Very high | 92.8 | Very high | 18 Ų | 18 | 48.9 Ų | 48.9 | 11% | 0.109 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 126.4 | 173.5 | -173.9 | 0 | 0 | 0 | 0 | 109.5 | L263 S267 F269 I283 L285 L359 V361 | L263-V265 PolarHBondContact O-N 3.37Å; V265-S267 WeakPolarHBondContact CG1-O 3.3Å; V265-F269 HydrophobicContact CB-CE2 4.26Å; V265-F269 HydrophobicContact CB-CZ 4.33Å; V265-F269 HydrophobicContact CG1-CD2 4.47Å; V265-F269 HydrophobicContact CG1-CE2 3.8Å; V265-F269 HydrophobicContact CG1-CZ 4.01Å; V265-F269 HydrophobicContact CG2-CE2 4.43Å; V265-F269 HydrophobicContact CG2-CZ 4Å; V265-I283 HydrophobicContact CG2-CG2 4.35Å; V265-I283 PolarHBondContact N-O 2.9Å; V265-L285 HydrophobicContact CG2-CD1 3.34Å; V265-L359 HydrophobicContact CG1-CD2 4.49Å; V265-V361 HydrophobicContact CG2-CG1 4.25Å |
| 266 | I | 95.5 | Very high | 92.7 | Very high | 82 Ų | 82 | 47.5 Ų | 47.5 | 42% | 0.421 | 26% | 0.256 | S | S | . | . | trans | -123.1 | -5.7 | -179.2 | 59.3 | 169.2 | 0 | 0 | 0 | 113.3 | K264 K360 K362 | K264-I266 HydrophobicContact CG-CG2 4.44Å; K264-I266 PolarHBondContact O-N 2.66Å; I266-K360 HydrophobicContact CD1-CD 4.01Å; I266-K360 HydrophobicContact CD1-CG 4.05Å; I266-K360 HydrophobicContact CG1-CB 4.06Å; I266-K360 HydrophobicContact CG1-CD 4.36Å; I266-K360 HydrophobicContact CG1-CG 4.07Å; I266-K360 WeakPolarHBondContact CG1-O 3.5Å; I266-K360 PolarHBondContact N-O 2.81Å; I266-K362 HydrophobicContact CD1-CB 4.47Å; I266-K362 HydrophobicContact CG2-CB 4.12Å | ||
| 267 | S | 93.6 | Very high | 92.5 | Very high | 39 Ų | 39 | 47.6 Ų | 47.6 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -95.9 | 162.6 | 167.6 | 61.7 | 0 | 0 | 0 | 0 | 111.3 | V265 L359 K360 | V265-S267 WeakPolarHBondContact CG1-O 3.3Å; S267-L359 WeakPolarHBondContact OG-CD2 3.47Å; S267-K360 PolarHBondContact N-O 3.19Å; S267-K360 PolarHBondContact OG-N 3.4Å |
| 268 | E | 91.3 | Very high | 92.1 | Very high | 161 Ų | 161 | 52.5 Ų | 52.5 | 75% | 0.752 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 142.5 | 169.1 | -65.8 | -175.7 | 178.6 | 0 | 0 | 111.1 | ||
| 269 | F | 92.3 | Very high | 91.5 | Very high | 10 Ų | 10 | 55.3 Ų | 55.3 | 4% | 0.044 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 153.1 | 168.4 | -77.2 | -91.4 | 0 | 0 | 0 | 111.2 | V265 F273 L276 N277 I283 I322 F351 L356 L359 | V265-F269 HydrophobicContact CB-CE2 4.26Å; V265-F269 HydrophobicContact CB-CZ 4.33Å; V265-F269 HydrophobicContact CG1-CD2 4.47Å; V265-F269 HydrophobicContact CG1-CE2 3.8Å; V265-F269 HydrophobicContact CG1-CZ 4.01Å; V265-F269 HydrophobicContact CG2-CE2 4.43Å; V265-F269 HydrophobicContact CG2-CZ 4Å; F269-F273 HydrophobicContact CB-CB 3.99Å; F269-F273 HydrophobicContact CD1-CB 4.48Å; F269-F273 HydrophobicContact CG-CB 4.47Å; F269-L276 HydrophobicContact CD1-CD1 4.27Å; F269-L276 HydrophobicContact CD2-CB 4.05Å; F269-L276 HydrophobicContact CE1-CD1 4.29Å; F269-L276 HydrophobicContact CE2-CB 4.39Å; F269-L276 HydrophobicContact CG-CB 4.41Å; F269-L276 HydrophobicContact CG-CD1 4.39Å; F269-L276 HydrophobicContact CZ-CD1 4.44Å; F269-N277 WeakPolarHBondContact CB-OD1 3.22Å; F269-N277 WeakPolarHBondContact CD2-OD1 3.34Å; F269-N277 PolarHBondContact N-ND2 3.39Å; F269-N277 PolarHBondContact N-OD1 3.15Å; F269-N277 PolarHBondContact O-ND2 2.95Å; F269-I283 HydrophobicContact CE2-CB 4.43Å; F269-I283 HydrophobicContact CE2-CD1 3.73Å; F269-I283 HydrophobicContact CE2-CG2 4.22Å; F269-I283 HydrophobicContact CZ-CD1 4.34Å; F269-I283 HydrophobicContact CZ-CG2 3.89Å; F269-I322 HydrophobicContact CE1-CD1 3.98Å; F269-I322 HydrophobicContact CZ-CD1 3.84Å; F269-F351 HydrophobicContact CD1-CE1 4.18Å; F269-F351 HydrophobicContact CE1-CE1 4.05Å; F269-F351 HydrophobicContact CE1-CZ 4.28Å; F269-L356 HydrophobicContact CE1-CD2 4.44Å; F269-L359 HydrophobicContact CD1-CD1 4Å; F269-L359 HydrophobicContact CD1-CD2 4.33Å; F269-L359 HydrophobicContact CE1-CD1 3.67Å; F269-L359 HydrophobicContact CZ-CD1 4.32Å |
| 270 | P | 87 | Confident | 91 | Very high | 58 Ų | 58 | 65.6 Ų | 65.6 | 38% | 0.377 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -51.5 | 153 | 171.8 | -24.8 | 33.3 | 0 | 0 | 0 | 112.1 | K272 F273 S274 | P270-K272 PolarHBondContact O-N 3.18Å; P270-F273 CarbonylContact O-C 3.46Å; P270-F273 PolarHBondContact O-N 2.86Å; P270-S274 PolarHBondContact O-N 3.27Å |
| 271 | S | 85 | Confident | 90.7 | Very high | 109 Ų | 109 | 68.8 Ų | 68.8 | 76% | 0.762 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -49.8 | -35.2 | -175.5 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | F273 S274 | S271-F273 PolarHBondContact O-N 3.34Å; S271-F273 VanDerWaalsContact O-N 3.13Å; S271-S274 WeakPolarHBondContact O-CB 3.49Å; S271-S274 PolarHBondContact O-N 3.07Å; S271-S274 VanDerWaalsContact O-N 3.1Å; S271-S274 PolarHBondContact O-OG 3.03Å |
| 272 | K | 87 | Confident | 90.6 | Very high | 134 Ų | 134 | 71 Ų | 71 | 58% | 0.583 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -51.3 | -30.3 | 172.8 | -178.3 | 179.5 | 169 | -164.5 | 0 | 113.6 | P270 D355 | P270-K272 PolarHBondContact O-N 3.18Å; K272-D355 IonicContact NZ-OD1 3.14Å; K272-D355 PolarHBondContact NZ-OD1 2.77Å; K272-D355 IonicContact NZ-OD2 2.76Å; K272-D355 PolarHBondContact NZ-OD2 3.42Å |
| 273 | F | 90.5 | Very high | 90.5 | Very high | 13 Ų | 13 | 71.5 Ų | 71.5 | 6% | 0.057 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -119.6 | 26.2 | -178.1 | -53.7 | -78.2 | 0 | 0 | 0 | 112.5 | F269 P270 S271 C275 L276 A349 N350 F351 D355 | F269-F273 HydrophobicContact CB-CB 3.99Å; F269-F273 HydrophobicContact CD1-CB 4.48Å; F269-F273 HydrophobicContact CG-CB 4.47Å; P270-F273 CarbonylContact O-C 3.46Å; P270-F273 PolarHBondContact O-N 2.86Å; S271-F273 PolarHBondContact O-N 3.34Å; S271-F273 VanDerWaalsContact O-N 3.13Å; F273-C275 PolarHBondContact O-N 2.72Å; F273-L276 HydrophobicContact CB-CD1 3.9Å; F273-L276 HydrophobicContact CB-CG 4.25Å; F273-L276 HydrophobicContact CD1-CD1 4.45Å; F273-L276 HydrophobicContact CG-CD1 4.47Å; F273-L276 VanDerWaalsContact O-CB 3.32Å; F273-L276 WeakPolarHBondContact O-CB 3.43Å; F273-L276 PolarHBondContact O-N 3.46Å; F273-A349 HydrophobicContact CD1-CB 4.36Å; F273-N350 VanDerWaalsContact CE1-O 3.26Å; F273-N350 WeakPolarHBondContact CE1-O 3.31Å; F273-N350 WeakPolarHBondContact CZ-O 3.37Å; F273-F351 HydrophobicContact CB-CE1 4.46Å; F273-F351 HydrophobicContact CD1-CD1 4.04Å; F273-F351 AromaticContact CD1-CE1 3.66Å; F273-F351 HydrophobicContact CD1-CE1 3.66Å; F273-F351 HydrophobicContact CD1-CZ 4.41Å; F273-F351 HydrophobicContact CD2-CD1 4.1Å; F273-F351 HydrophobicContact CD2-CE1 4.02Å; F273-F351 AromaticContact CE1-CD1 3.65Å; F273-F351 HydrophobicContact CE1-CD1 3.65Å; F273-F351 AromaticContact CE1-CE1 3.76Å; F273-F351 HydrophobicContact CE1-CE1 3.76Å; F273-F351 HydrophobicContact CE1-CG 4.4Å; F273-F351 AromaticContact CE2-CD1 3.75Å; F273-F351 HydrophobicContact CE2-CD1 3.75Å; F273-F351 HydrophobicContact CE2-CE1 4.14Å; F273-F351 HydrophobicContact CG-CD1 4.23Å; F273-F351 AromaticContact CG-CE1 3.78Å; F273-F351 HydrophobicContact CG-CE1 3.78Å; F273-F351 AromaticContact CZ-CD1 3.48Å; F273-F351 HydrophobicContact CZ-CD1 3.48Å; F273-F351 VanDerWaalsContact CZ-CD1 3.48Å; F273-F351 AromaticContact CZ-CE1 3.99Å; F273-F351 HydrophobicContact CZ-CE1 3.99Å; F273-F351 HydrophobicContact CZ-CG 4.28Å; F273-D355 HydrophobicContact CE2-CB 3.66Å; F273-D355 HydrophobicContact CZ-CB 4.17Å |
| 274 | S | 84.5 | Confident | 90.5 | Very high | 60 Ų | 60 | 72.8 Ų | 72.8 | 42% | 0.42 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -54.7 | -25.8 | 178.6 | 50.5 | 0 | 0 | 0 | 0 | 114.2 | P270 S271 L276 N277 | P270-S274 PolarHBondContact O-N 3.27Å; S271-S274 WeakPolarHBondContact O-CB 3.49Å; S271-S274 PolarHBondContact O-N 3.07Å; S271-S274 VanDerWaalsContact O-N 3.1Å; S271-S274 PolarHBondContact O-OG 3.03Å; S274-L276 PolarHBondContact O-N 3.29Å; S274-N277 WeakPolarHBondContact O-CB 3.47Å; S274-N277 PolarHBondContact O-N 3.03Å |
| 275 | C | 85.8 | Confident | 90.6 | Very high | 72 Ų | 72 | 68.4 Ų | 68.4 | 49% | 0.486 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.5 | -31.2 | 172.2 | 59.6 | 0 | 0 | 0 | 0 | 113 | F273 N277 Q278 | F273-C275 PolarHBondContact O-N 2.72Å; C275-N277 VanDerWaalsContact C-N 3.34Å; C275-Q278 PolarHBondContact O-N 3.31Å |
| 276 | L | 88.1 | Confident | 90.6 | Very high | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.6 | -31.9 | 177.3 | -60.5 | -178.8 | 0 | 0 | 0 | 111.8 | F269 F273 S274 Q278 L279 I283 V348 A349 F351 | F269-L276 HydrophobicContact CD1-CD1 4.27Å; F269-L276 HydrophobicContact CD2-CB 4.05Å; F269-L276 HydrophobicContact CE1-CD1 4.29Å; F269-L276 HydrophobicContact CE2-CB 4.39Å; F269-L276 HydrophobicContact CG-CB 4.41Å; F269-L276 HydrophobicContact CG-CD1 4.39Å; F269-L276 HydrophobicContact CZ-CD1 4.44Å; F273-L276 HydrophobicContact CB-CD1 3.9Å; F273-L276 HydrophobicContact CB-CG 4.25Å; F273-L276 HydrophobicContact CD1-CD1 4.45Å; F273-L276 HydrophobicContact CG-CD1 4.47Å; F273-L276 VanDerWaalsContact O-CB 3.32Å; F273-L276 WeakPolarHBondContact O-CB 3.43Å; F273-L276 PolarHBondContact O-N 3.46Å; S274-L276 PolarHBondContact O-N 3.29Å; L276-Q278 PolarHBondContact O-N 2.7Å; L276-L279 HydrophobicContact CD2-CD1 3.69Å; L276-L279 WeakPolarHBondContact O-CB 3.34Å; L276-L279 PolarHBondContact O-N 2.96Å; L276-I283 HydrophobicContact CB-CD1 3.91Å; L276-V348 HydrophobicContact CD2-CG2 4.37Å; L276-A349 HydrophobicContact CD1-CB 4.08Å; L276-A349 HydrophobicContact CD2-CB 4.34Å; L276-F351 HydrophobicContact CD1-CE1 3.85Å; L276-F351 HydrophobicContact CD1-CZ 3.44Å; L276-F351 VanDerWaalsContact CD1-CZ 3.44Å |
| 277 | N | 87.2 | Confident | 90.8 | Very high | 62 Ų | 62 | 63.6 Ų | 63.6 | 33% | 0.332 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66 | -22.6 | 176.1 | -62.7 | -28.6 | 0 | 0 | 0 | 112.3 | F269 S274 C275 | F269-N277 WeakPolarHBondContact CB-OD1 3.22Å; F269-N277 WeakPolarHBondContact CD2-OD1 3.34Å; F269-N277 PolarHBondContact N-ND2 3.39Å; F269-N277 PolarHBondContact N-OD1 3.15Å; F269-N277 PolarHBondContact O-ND2 2.95Å; S274-N277 WeakPolarHBondContact O-CB 3.47Å; S274-N277 PolarHBondContact O-N 3.03Å; C275-N277 VanDerWaalsContact C-N 3.34Å |
| 278 | Q | 84.6 | Confident | 90.9 | Very high | 160 Ų | 160 | 62.3 Ų | 62.3 | 75% | 0.748 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -9.5 | 179.4 | -61 | 174.9 | 2.5 | 0 | 0 | 112.9 | C275 L276 | C275-Q278 PolarHBondContact O-N 3.31Å; L276-Q278 PolarHBondContact O-N 2.7Å |
| 279 | L | 84.7 | Confident | 91.1 | Very high | 78 Ų | 78 | 55.4 Ų | 55.4 | 41% | 0.408 | 30% | 0.3 | S | S | . | . | trans | -73.3 | 133.8 | -178.9 | -65.5 | 175.1 | 0 | 0 | 0 | 110.7 | L276 V281 I320 | L276-L279 HydrophobicContact CD2-CD1 3.69Å; L276-L279 WeakPolarHBondContact O-CB 3.34Å; L276-L279 PolarHBondContact O-N 2.96Å; L279-V281 HydrophobicContact CB-CG2 4.21Å; L279-V281 PolarHBondContact O-N 3.15Å; L279-I320 HydrophobicContact CD1-CD1 3.32Å | ||
| 280 | K | 85.6 | Confident | 91.1 | Very high | 217 Ų | 217 | 58.2 Ų | 58.2 | 94% | 0.943 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -81.7 | -1.2 | 177.4 | -63.9 | -174.5 | 179 | -179.1 | 0 | 113.7 | ||
| 281 | V | 92.5 | Very high | 91.4 | Very high | 68 Ų | 68 | 56.5 Ų | 56.5 | 41% | 0.412 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -98.9 | 144.4 | 179.7 | -66.3 | 0 | 0 | 0 | 0 | 110.4 | L279 I320 | L279-V281 HydrophobicContact CB-CG2 4.21Å; L279-V281 PolarHBondContact O-N 3.15Å; V281-I320 HydrophobicContact CG2-CD1 3.83Å; V281-I320 HydrophobicContact CG2-CG1 4.11Å |
| 282 | P | 95.6 | Very high | 91.9 | Very high | 46 Ų | 46 | 51.4 Ų | 51.4 | 30% | 0.299 | 27% | 0.265 | S | S | . | . | trans | -66.8 | 145.5 | 177.8 | 27.9 | -33.4 | 0 | 0 | 0 | 111.1 | F284 C319 I320 | P282-F284 HydrophobicContact CB-CD2 4.42Å; P282-F284 HydrophobicContact CB-CE2 3.62Å; P282-F284 HydrophobicContact CB-CZ 3.86Å; P282-F284 HydrophobicContact CG-CE2 3.74Å; P282-F284 HydrophobicContact CG-CZ 4.2Å; P282-C319 HydrophobicContact CG-CB 3.82Å; P282-C319 WeakPolarHBondContact O-CA 3.25Å; P282-C319 VanDerWaalsContact O-CB 3.26Å; P282-C319 WeakPolarHBondContact O-CB 3.46Å; P282-I320 PolarHBondContact O-N 3.35Å | ||
| 283 | I | 97.6 | Very high | 92.2 | Very high | 13 Ų | 13 | 45 Ų | 45 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 129.5 | 178.2 | -52.6 | 178.7 | 0 | 0 | 0 | 108 | V265 F269 L276 I320 I322 | V265-I283 HydrophobicContact CG2-CG2 4.35Å; V265-I283 PolarHBondContact N-O 2.9Å; F269-I283 HydrophobicContact CE2-CB 4.43Å; F269-I283 HydrophobicContact CE2-CD1 3.73Å; F269-I283 HydrophobicContact CE2-CG2 4.22Å; F269-I283 HydrophobicContact CZ-CD1 4.34Å; F269-I283 HydrophobicContact CZ-CG2 3.89Å; L276-I283 HydrophobicContact CB-CD1 3.91Å; I283-I320 WeakPolarHBondContact CA-O 3.39Å; I283-I320 HydrophobicContact CD1-CD1 4.47Å; I283-I320 HydrophobicContact CG1-CB 4.16Å; I283-I320 HydrophobicContact CG1-CD1 4.25Å; I283-I320 HydrophobicContact CG2-CB 4.26Å; I283-I320 HydrophobicContact CG2-CG2 4.11Å; I283-I322 HydrophobicContact CG2-CD1 3.71Å; I283-I322 HydrophobicContact CG2-CG1 4.07Å |
| 284 | F | 98.2 | Very high | 92.5 | Very high | 28 Ų | 28 | 44.7 Ų | 44.7 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 136.2 | -177.7 | -60.2 | -85.2 | 0 | 0 | 0 | 111 | K262 L263 K264 P282 C319 I320 L321 I322 | K262-F284 HydrophobicContact CB-CB 4.24Å; K262-F284 HydrophobicContact CB-CD1 3.57Å; K262-F284 HydrophobicContact CB-CE1 4.01Å; K262-F284 HydrophobicContact CB-CG 3.99Å; K262-F284 HydrophobicContact CD-CD1 4.5Å; K262-F284 HydrophobicContact CD-CG 4.48Å; K262-F284 HydrophobicContact CG-CD1 4.49Å; K262-F284 HydrophobicContact CG-CG 4.5Å; L263-F284 WeakPolarHBondContact O-CA 3.47Å; K264-F284 VanDerWaalsContact CA-CD1 3.42Å; K264-F284 HydrophobicContact CB-CD1 3.68Å; K264-F284 HydrophobicContact CB-CE1 3.53Å; K264-F284 HydrophobicContact CD-CE1 4.26Å; K264-F284 HydrophobicContact CG-CD1 4.17Å; K264-F284 HydrophobicContact CG-CE1 3.81Å; K264-F284 HydrophobicContact CG-CZ 4.42Å; P282-F284 HydrophobicContact CB-CD2 4.42Å; P282-F284 HydrophobicContact CB-CE2 3.62Å; P282-F284 HydrophobicContact CB-CZ 3.86Å; P282-F284 HydrophobicContact CG-CE2 3.74Å; P282-F284 HydrophobicContact CG-CZ 4.2Å; F284-C319 HydrophobicContact CD2-CB 3.75Å; F284-C319 HydrophobicContact CE2-CB 3.62Å; F284-I320 PolarHBondContact N-O 3.33Å; F284-L321 HydrophobicContact CB-CD2 4.29Å; F284-L321 HydrophobicContact CD2-CD2 4.43Å; F284-L321 CarbonylContact O-C 3.49Å; F284-L321 WeakPolarHBondContact O-CA 3.47Å; F284-I322 PolarHBondContact O-N 3.19Å |
| 285 | L | 98.5 | Very high | 93 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 124.4 | 156.8 | -75.5 | 77 | 0 | 0 | 0 | 107.1 | L263 V265 V303 I322 V361 V374 V388 | L263-L285 HydrophobicContact CB-CB 4.3Å; L263-L285 WeakPolarHBondContact CB-O 3.44Å; L263-L285 PolarHBondContact N-O 2.97Å; L263-L285 PolarHBondContact O-N 3.46Å; V265-L285 HydrophobicContact CG2-CD1 3.34Å; L285-V303 HydrophobicContact CD2-CG1 4.36Å; L285-I322 HydrophobicContact CD1-CD1 4.15Å; L285-I322 HydrophobicContact CG-CB 4.18Å; L285-I322 HydrophobicContact CG-CG2 4.34Å; L285-V361 HydrophobicContact CD1-CG1 4.15Å; L285-V374 HydrophobicContact CD2-CG1 4.31Å; L285-V374 HydrophobicContact CD2-CG2 3.81Å; L285-V388 HydrophobicContact CB-CG1 4.09Å; L285-V388 HydrophobicContact CD2-CG1 4.29Å |
| 286 | V | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 105.4 | -178.5 | -76.6 | 0 | 0 | 0 | 0 | 110 | L260 I261 K262 L321 I322 C323 M331 T386 | L260-V286 HydrophobicContact CB-CB 4.31Å; L260-V286 HydrophobicContact CD1-CB 4.46Å; I261-V286 WeakPolarHBondContact O-CA 3.32Å; K262-V286 HydrophobicContact CG-CG1 4.37Å; V286-L321 HydrophobicContact CG1-CB 4.27Å; V286-L321 HydrophobicContact CG1-CD1 4.41Å; V286-L321 HydrophobicContact CG1-CD2 3.73Å; V286-L321 HydrophobicContact CG1-CG 4.35Å; V286-L321 HydrophobicContact CG2-CB 4.26Å; V286-I322 WeakPolarHBondContact CG2-O 3.34Å; V286-I322 PolarHBondContact N-O 3.24Å; V286-C323 HydrophobicContact CG2-CB 3.76Å; V286-M331 HydrophobicContact CG2-CE 4.03Å; V286-T386 HydrophobicContact CG2-CG2 4.14Å; V286-T386 WeakPolarHBondContact O-CB 3.45Å; V286-T386 WeakPolarHBondContact O-CG2 3.39Å; V286-T386 PolarHBondContact O-OG1 3.27Å |
| 287 | A | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 122.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L260 I261 L263 V388 T390 | L260-A287 CarbonylContact C-O 3.42Å; L260-A287 WeakPolarHBondContact CA-O 2.87Å; I261-A287 PolarHBondContact N-O 2.88Å; I261-A287 PolarHBondContact O-N 3.34Å; L263-A287 HydrophobicContact CD1-CB 3.89Å; L263-A287 HydrophobicContact CG-CB 4.39Å; A287-V388 VanDerWaalsContact CA-O 3.28Å; A287-V388 WeakPolarHBondContact CA-O 3.21Å; A287-V388 HydrophobicContact CB-CB 4.31Å; A287-V388 HydrophobicContact CB-CG1 3.79Å; A287-T390 HydrophobicContact CB-CG2 3.46Å; A287-T390 VanDerWaalsContact CB-CG2 3.46Å |
| 288 | A | 97 | Very high | 94.2 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 10% | 0.099 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 126.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y258 L260 T386 V388 | Y258-A288 HydrophobicContact CD1-CB 3.92Å; Y258-A288 HydrophobicContact CE1-CB 4.5Å; Y258-A288 HydrophobicContact CG-CB 4.29Å; L260-A288 HydrophobicContact CD2-CB 3.69Å; A288-T386 HydrophobicContact CB-CG2 4.25Å; A288-T386 PolarHBondContact N-OG1 3.35Å; A288-V388 PolarHBondContact N-O 3.29Å; A288-V388 VanDerWaalsContact N-O 3.1Å |
| 289 | T | 95.4 | Very high | 94.8 | Very high | 15 Ų | 15 | 28.6 Ų | 28.6 | 9% | 0.092 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 144.3 | 174.7 | -173.2 | 0 | 0 | 0 | 0 | 112.2 | T259 I261 R291 M295 | T259-T289 PolarHBondContact N-O 3.36Å; T259-T289 PolarHBondContact O-N 3.23Å; I261-T289 HydrophobicContact CD1-CG2 4.22Å; I261-T289 HydrophobicContact CG1-CG2 3.79Å; T289-R291 PolarHBondContact OG1-N 3.36Å; T289-M295 HydrophobicContact CG2-CE 4.07Å; T289-M295 HydrophobicContact CG2-SD 4.24Å |
| 290 | L | 92.7 | Very high | 95.4 | Very high | 69 Ų | 69 | 25 Ų | 25 | 36% | 0.361 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -90.9 | -6.4 | 168.9 | -65.5 | 175.6 | 0 | 0 | 0 | 112.3 | Q256 E257 Y258 P292 K491 | Q256-L290 HydrophobicContact CG-CD2 4.21Å; E257-L290 WeakPolarHBondContact O-CD2 3.48Å; Y258-L290 HydrophobicContact CD1-CD2 3.63Å; Y258-L290 HydrophobicContact CD1-CG 3.85Å; Y258-L290 HydrophobicContact CD2-CD2 4.47Å; Y258-L290 HydrophobicContact CE1-CD1 4.25Å; Y258-L290 HydrophobicContact CE1-CD2 3.7Å; Y258-L290 HydrophobicContact CE1-CG 3.66Å; Y258-L290 HydrophobicContact CG-CD2 4.05Å; L290-P292 WeakPolarHBondContact O-CD 3.48Å; L290-K491 WeakPolarHBondContact O-CE 3.42Å; L290-K491 PolarHBondContact O-NZ 2.94Å |
| 291 | R | 93.4 | Very high | 96 | Very high | 23 Ų | 23 | 14.7 Ų | 14.7 | 9% | 0.087 | 8% | 0.081 | C | C | . | . | trans | -125.2 | 60.1 | -172.2 | -65.4 | -168.9 | 68.8 | -165.8 | -2.2 | 111.7 | T289 E293 T294 D395 Y468 | T289-R291 PolarHBondContact OG1-N 3.36Å; R291-E293 WeakPolarHBondContact CA-OE2 3.45Å; R291-E293 WeakPolarHBondContact CB-OE1 3.34Å; R291-E293 IonicContact CZ-OE1 2.74Å; R291-E293 IonicContact NE-OE1 3.61Å; R291-E293 PolarHBondContact NE-OE1 3.06Å; R291-E293 VanDerWaalsContact NE-OE1 3.12Å; R291-E293 IonicContact NH2-OE1 3.77Å; R291-E293 PolarHBondContact O-N 3.13Å; R291-E293 VanDerWaalsContact O-N 3.11Å; R291-T294 HydrophobicContact CB-CG2 3.98Å; R291-T294 PolarHBondContact O-N 3.18Å; R291-T294 PolarHBondContact O-OG1 3.38Å; R291-D395 PolarHBondContact NH1-O 3.47Å; R291-Y468 VanDerWaalsContact NH1-CD1 3.27Å | ||
| 292 | P | 95 | Very high | 96.2 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.006 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -59.2 | -22.5 | -178.4 | 27 | -35.6 | 0 | 0 | 0 | 113.3 | T259 L290 T294 M295 K491 I494 Q495 L498 | T259-P292 HydrophobicContact CG2-CB 4.12Å; L290-P292 WeakPolarHBondContact O-CD 3.48Å; P292-T294 PolarHBondContact O-N 3.36Å; P292-M295 VanDerWaalsContact O-CG 3.23Å; P292-M295 WeakPolarHBondContact O-CG 3.27Å; P292-M295 PolarHBondContact O-N 3.33Å; P292-K491 HydrophobicContact CG-CG 4.15Å; P292-I494 WeakPolarHBondContact O-CG2 3.44Å; P292-Q495 HydrophobicContact CB-CB 4.2Å; P292-Q495 HydrophobicContact CG-CB 3.84Å; P292-Q495 HydrophobicContact CG-CG 4.31Å; P292-L498 HydrophobicContact CB-CD1 4.33Å |
| 293 | E | 94.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -61.3 | -22.5 | 174.4 | 70.9 | -79.7 | -178.7 | 0 | 0 | 113.7 | R291 V487 K491 I494 | R291-E293 WeakPolarHBondContact CA-OE2 3.45Å; R291-E293 WeakPolarHBondContact CB-OE1 3.34Å; R291-E293 IonicContact CZ-OE1 2.74Å; R291-E293 IonicContact NE-OE1 3.61Å; R291-E293 PolarHBondContact NE-OE1 3.06Å; R291-E293 VanDerWaalsContact NE-OE1 3.12Å; R291-E293 IonicContact NH2-OE1 3.77Å; R291-E293 PolarHBondContact O-N 3.13Å; R291-E293 VanDerWaalsContact O-N 3.11Å; E293-V487 HydrophobicContact CG-CG1 3.93Å; E293-K491 WeakPolarHBondContact OE2-CG 3.48Å; E293-I494 HydrophobicContact CB-CD1 3.91Å |
| 294 | T | 94.7 | Very high | 96.3 | Very high | 7 Ų | 7 | 10 Ų | 10 | 4% | 0.043 | 5% | 0.05 | C | C | . | . | G | 310 helix | trans | -87.3 | -3 | -173.7 | 62.9 | 0 | 0 | 0 | 0 | 113.8 | R291 P292 F296 G297 D395 I431 I432 | R291-T294 HydrophobicContact CB-CG2 3.98Å; R291-T294 PolarHBondContact O-N 3.18Å; R291-T294 PolarHBondContact O-OG1 3.38Å; P292-T294 PolarHBondContact O-N 3.36Å; T294-F296 PolarHBondContact O-N 3.2Å; T294-G297 PolarHBondContact O-N 2.98Å; T294-D395 HydrophobicContact CG2-CB 4.48Å; T294-I431 HydrophobicContact CG2-CD1 4.31Å; T294-I431 VanDerWaalsContact O-CD1 3.27Å; T294-I431 WeakPolarHBondContact O-CD1 3.35Å; T294-I432 HydrophobicContact CG2-CD1 4.12Å |
| 295 | M | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | G | 310 helix | trans | -65.2 | -16.1 | -169.3 | -64.6 | -56.7 | 98.7 | 0 | 0 | 114.9 | I261 T289 P292 G297 Q298 L365 T390 V392 L498 | I261-M295 HydrophobicContact CD1-CG 3.79Å; I261-M295 HydrophobicContact CD1-SD 4Å; I261-M295 HydrophobicContact CG1-CG 4.13Å; I261-M295 HydrophobicContact CG1-SD 3.63Å; I261-M295 HydrophobicContact CG2-SD 4.45Å; T289-M295 HydrophobicContact CG2-CE 4.07Å; T289-M295 HydrophobicContact CG2-SD 4.24Å; P292-M295 VanDerWaalsContact O-CG 3.23Å; P292-M295 WeakPolarHBondContact O-CG 3.27Å; P292-M295 PolarHBondContact O-N 3.33Å; M295-G297 PolarHBondContact O-N 2.81Å; M295-Q298 VanDerWaalsContact O-CG 3.25Å; M295-Q298 WeakPolarHBondContact O-CG 3.48Å; M295-Q298 PolarHBondContact O-N 2.96Å; M295-Q298 PolarHBondContact O-NE2 3.31Å; M295-Q298 HydrophobicContact SD-CG 4.09Å; M295-Q298 PolarHBondContact SD-OE1 3.29Å; M295-Q298 VanDerWaalsContact SD-OE1 3.41Å; M295-L365 HydrophobicContact CB-CD1 4.33Å; M295-T390 HydrophobicContact CE-CG2 4.41Å; M295-T390 HydrophobicContact SD-CG2 3.75Å; M295-V392 HydrophobicContact CE-CG2 3.96Å; M295-L498 HydrophobicContact CG-CD1 4.32Å |
| 296 | F | 95 | Very high | 96.1 | Very high | 23 Ų | 23 | 13.4 Ų | 13.4 | 10% | 0.101 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -63.4 | -26.7 | 172 | -63.9 | -81.7 | 0 | 0 | 0 | 113.3 | T294 L365 I431 M477 V479 Y482 I494 | T294-F296 PolarHBondContact O-N 3.2Å; F296-L365 HydrophobicContact CD1-CB 3.86Å; F296-L365 HydrophobicContact CE1-CB 3.89Å; F296-L365 HydrophobicContact CE1-CD1 4.08Å; F296-L365 HydrophobicContact CE1-CD2 3.92Å; F296-L365 HydrophobicContact CE1-CG 4.18Å; F296-L365 HydrophobicContact CE2-CD1 3.97Å; F296-L365 HydrophobicContact CG-CB 4.34Å; F296-L365 HydrophobicContact CZ-CB 4.39Å; F296-L365 HydrophobicContact CZ-CD1 3.73Å; F296-L365 HydrophobicContact CZ-CD2 4.16Å; F296-L365 HydrophobicContact CZ-CG 4.32Å; F296-I431 HydrophobicContact CB-CG2 3.79Å; F296-M477 HydrophobicContact CD2-CE 4.33Å; F296-M477 HydrophobicContact CE2-CE 4.49Å; F296-V479 HydrophobicContact CB-CG2 3.74Å; F296-V479 HydrophobicContact CD1-CG1 3.62Å; F296-V479 HydrophobicContact CD1-CG2 4.24Å; F296-V479 HydrophobicContact CD2-CB 4.48Å; F296-V479 HydrophobicContact CD2-CG1 4.23Å; F296-V479 HydrophobicContact CD2-CG2 3.87Å; F296-V479 HydrophobicContact CE1-CG1 3.68Å; F296-V479 HydrophobicContact CE2-CG1 4.28Å; F296-V479 HydrophobicContact CG-CB 4.39Å; F296-V479 HydrophobicContact CG-CG1 3.91Å; F296-V479 HydrophobicContact CG-CG2 3.68Å; F296-V479 HydrophobicContact CZ-CG1 4.02Å; F296-Y482 HydrophobicContact CE2-CD2 4.23Å; F296-Y482 HydrophobicContact CE2-CE2 4.27Å; F296-Y482 HydrophobicContact CZ-CD2 4.14Å; F296-Y482 AromaticContact CZ-CE2 3.94Å; F296-Y482 HydrophobicContact CZ-CE2 3.94Å; F296-I494 HydrophobicContact CE2-CD1 4.13Å; F296-I494 HydrophobicContact CE2-CG2 4.37Å |
| 297 | G | 94.9 | Very high | 96 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | G | 310 helix | trans | -94.5 | 13.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T294 M295 T299 | T294-G297 PolarHBondContact O-N 2.98Å; M295-G297 PolarHBondContact O-N 2.81Å; G297-T299 PolarHBondContact O-N 3.16Å |
| 298 | Q | 97 | Very high | 96 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | trans | -66.1 | 122.7 | -176.9 | -70.9 | 170.1 | 118.8 | 0 | 0 | 112 | M295 A363 P364 S366 S391 V392 | M295-Q298 VanDerWaalsContact O-CG 3.25Å; M295-Q298 WeakPolarHBondContact O-CG 3.48Å; M295-Q298 PolarHBondContact O-N 2.96Å; M295-Q298 PolarHBondContact O-NE2 3.31Å; M295-Q298 HydrophobicContact SD-CG 4.09Å; M295-Q298 PolarHBondContact SD-OE1 3.29Å; M295-Q298 VanDerWaalsContact SD-OE1 3.41Å; Q298-A363 HydrophobicContact CB-CB 4.41Å; Q298-P364 PolarHBondContact NE2-O 3.43Å; Q298-S366 PolarHBondContact O-OG 3.28Å; Q298-S391 VanDerWaalsContact CA-O 3.27Å; Q298-S391 WeakPolarHBondContact CA-O 3.44Å; Q298-V392 HydrophobicContact CG-CG2 4.13Å | ||
| 299 | T | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -104.2 | -28.9 | 176.9 | 54.9 | 0 | 0 | 0 | 0 | 112.9 | G297 Y368 V372 S391 P393 F426 E427 | G297-T299 PolarHBondContact O-N 3.16Å; T299-Y368 HydrophobicContact CG2-CE2 4.16Å; T299-V372 VanDerWaalsContact O-CB 3.32Å; T299-V372 WeakPolarHBondContact O-CB 3.41Å; T299-V372 VanDerWaalsContact O-CG1 3.25Å; T299-V372 WeakPolarHBondContact O-CG1 3.42Å; T299-S391 PolarHBondContact N-O 3.39Å; T299-P393 HydrophobicContact CG2-CG 3.97Å; T299-P393 WeakPolarHBondContact OG1-CD 3.4Å; T299-P393 WeakPolarHBondContact OG1-CG 3.08Å; T299-F426 WeakPolarHBondContact O-CD1 3.49Å; T299-E427 WeakPolarHBondContact CG2-O 3.39Å | ||
| 300 | N | 97.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 18.3 Ų | 18.3 | 2% | 0.016 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | -176.9 | -176.9 | 65 | -80.7 | 0 | 0 | 0 | 109.7 | W302 F373 L375 S391 | N300-W302 VanDerWaalsContact ND2-CD2 3.33Å; N300-W302 VanDerWaalsContact ND2-CH2 3.33Å; N300-W302 WeakPolarHBondContact ND2-CH2 3.5Å; N300-W302 WeakPolarHBondContact ND2-CZ2 3.44Å; N300-W302 WeakPolarHBondContact ND2-CZ3 3.49Å; N300-F373 WeakPolarHBondContact CB-O 3.33Å; N300-L375 HydrophobicContact CB-CD1 3.69Å; N300-L375 HydrophobicContact CB-CG 4.07Å; N300-S391 VanDerWaalsContact ND2-CB 3.27Å; N300-S391 WeakPolarHBondContact ND2-CB 3.4Å; N300-S391 PolarHBondContact ND2-OG 3.28Å; N300-S391 WeakPolarHBondContact O-CB 3.49Å; N300-S391 PolarHBondContact O-N 3.41Å; N300-S391 WeakPolarHBondContact OD1-CB 3.45Å; N300-S391 PolarHBondContact OD1-OG 3.13Å |
| 301 | C | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 160.6 | 163 | 67 | 0 | 0 | 0 | 0 | 111 | L263 F373 L375 V389 | L263-C301 HydrophobicContact CD1-CB 3.35Å; C301-F373 PolarHBondContact N-O 3.22Å; C301-F373 VanDerWaalsContact N-O 3.12Å; C301-L375 PolarHBondContact O-N 2.98Å; C301-V389 CarbonylContact C-O 3.52Å; C301-V389 WeakPolarHBondContact CA-O 3.3Å; C301-V389 WeakPolarHBondContact CB-O 3.15Å |
| 302 | W | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 139.1 | -172.8 | -59.1 | 123.8 | 0 | 0 | 0 | 111.8 | N300 L375 P376 M377 I380 V389 S391 D399 A402 L403 L406 | N300-W302 VanDerWaalsContact ND2-CD2 3.33Å; N300-W302 VanDerWaalsContact ND2-CH2 3.33Å; N300-W302 WeakPolarHBondContact ND2-CH2 3.5Å; N300-W302 WeakPolarHBondContact ND2-CZ2 3.44Å; N300-W302 WeakPolarHBondContact ND2-CZ3 3.49Å; W302-L375 WeakPolarHBondContact CA-O 3.32Å; W302-L375 HydrophobicContact CE3-CB 3.66Å; W302-L375 HydrophobicContact CH2-CB 4.31Å; W302-L375 HydrophobicContact CH2-CD1 4.37Å; W302-L375 HydrophobicContact CZ3-CB 3.38Å; W302-L375 HydrophobicContact CZ3-CD1 4.21Å; W302-L375 HydrophobicContact CZ3-CG 4.44Å; W302-P376 WeakPolarHBondContact CZ3-O 3.47Å; W302-M377 HydrophobicContact CB-CB 3.78Å; W302-M377 HydrophobicContact CB-SD 4.16Å; W302-M377 HydrophobicContact CD2-CB 3.94Å; W302-M377 HydrophobicContact CD2-CG 4.46Å; W302-M377 HydrophobicContact CD2-SD 4.33Å; W302-M377 HydrophobicContact CE3-CB 3.88Å; W302-M377 HydrophobicContact CG-CB 3.92Å; W302-M377 HydrophobicContact CG-CG 4.43Å; W302-M377 HydrophobicContact CG-SD 3.88Å; W302-I380 HydrophobicContact CB-CD1 3.47Å; W302-I380 VanDerWaalsContact CB-CD1 3.47Å; W302-V389 HydrophobicContact CB-CB 4.27Å; W302-V389 PolarHBondContact N-O 2.72Å; W302-V389 PolarHBondContact O-N 2.92Å; W302-S391 WeakPolarHBondContact CZ2-OG 3.47Å; W302-S391 PolarHBondContact NE1-OG 3.19Å; W302-S391 VanDerWaalsContact NE1-OG 3.12Å; W302-D399 VanDerWaalsContact CD1-OD1 3.32Å; W302-D399 PolarHBondContact NE1-OD1 2.73Å; W302-A402 HydrophobicContact CH2-CB 3.85Å; W302-A402 HydrophobicContact CZ2-CB 3.8Å; W302-A402 HydrophobicContact CZ3-CB 4.39Å; W302-L403 HydrophobicContact CH2-CB 4.12Å; W302-L403 HydrophobicContact CH2-CD1 4.48Å; W302-L403 HydrophobicContact CZ2-CB 4.2Å; W302-L406 HydrophobicContact CH2-CD1 4.03Å; W302-L406 HydrophobicContact CZ3-CD1 3.67Å |
| 303 | V | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 152.2 | 167.4 | -63.2 | 0 | 0 | 0 | 0 | 109.8 | L285 Y309 L357 V374 L375 P376 M377 V388 | L285-V303 HydrophobicContact CD2-CG1 4.36Å; V303-Y309 HydrophobicContact CB-CE2 4.38Å; V303-Y309 WeakPolarHBondContact CB-OH 3.38Å; V303-Y309 HydrophobicContact CG1-CE1 4.44Å; V303-L357 HydrophobicContact CG2-CD2 3.46Å; V303-L357 VanDerWaalsContact CG2-CD2 3.46Å; V303-L357 HydrophobicContact CG2-CG 4.38Å; V303-V374 HydrophobicContact CB-CG1 4.36Å; V303-V374 HydrophobicContact CG1-CG1 3.9Å; V303-V374 HydrophobicContact CG2-CG1 3.56Å; V303-L375 PolarHBondContact N-O 3.5Å; V303-P376 WeakPolarHBondContact O-CA 3.33Å; V303-M377 PolarHBondContact O-N 2.93Å; V303-V388 HydrophobicContact CG1-CG1 4.32Å; V303-V388 HydrophobicContact CG1-CG2 4.19Å |
| 304 | H | 97.5 | Very high | 96.7 | Very high | 27 Ų | 27 | 19.1 Ų | 19.1 | 13% | 0.125 | 10% | 0.095 | C | C | . | . | trans | -83.5 | 124.4 | 171.6 | -170 | -65 | 0 | 0 | 0 | 109.1 | D306 I307 Y309 G353 M378 I380 | H304-D306 VanDerWaalsContact C-N 3.32Å; H304-D306 IonicContact CE1-OD2 3.94Å; H304-D306 PolarHBondContact CE1-OD2 3.11Å; H304-D306 PolarHBondContact ND1-N 3.28Å; H304-D306 PolarHBondContact O-N 3.06Å; H304-I307 HydrophobicContact CB-CD1 3.84Å; H304-I307 HydrophobicContact CB-CG1 3.9Å; H304-I307 HydrophobicContact CB-CG2 4.07Å; H304-Y309 PolarHBondContact N-OH 2.74Å; H304-G353 WeakPolarHBondContact O-CA 3.49Å; H304-M378 PolarHBondContact CD2-O 2.82Å; H304-M378 PolarHBondContact NE2-O 3.4Å; H304-I380 HydrophobicContact CB-CB 4.09Å; H304-I380 HydrophobicContact CB-CG2 4.32Å; H304-I380 PolarHBondContact CD2-O 3.07Å; H304-I380 VanDerWaalsContact CD2-O 3.26Å | ||
| 305 | P | 96.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -38 | -174.1 | -24.3 | 33.9 | 0 | 0 | 0 | 114.3 | G353 T354 L357 P376 M378 Y416 | P305-G353 CarbonylContact O-C 3.53Å; P305-G353 VanDerWaalsContact O-CA 3.26Å; P305-G353 WeakPolarHBondContact O-CA 3.29Å; P305-G353 PolarHBondContact O-N 3.18Å; P305-T354 HydrophobicContact CB-CG2 3.66Å; P305-T354 PolarHBondContact O-N 2.6Å; P305-L357 HydrophobicContact CB-CD1 4.2Å; P305-L357 HydrophobicContact CG-CD1 4.12Å; P305-P376 HydrophobicContact CG-CB 3.65Å; P305-M378 VanDerWaalsContact CD-CE 3.48Å; P305-M378 HydrophobicContact CG-CE 3.47Å; P305-M378 VanDerWaalsContact CG-CE 3.47Å; P305-M378 HydrophobicContact CG-SD 4.18Å; P305-Y416 HydrophobicContact CB-CD1 4.34Å; P305-Y416 HydrophobicContact CB-CE1 3.6Å; P305-Y416 HydrophobicContact CG-CD1 4.42Å; P305-Y416 HydrophobicContact CG-CE1 3.7Å; P305-Y416 HydrophobicContact CG-CE2 4.48Å |
| 306 | D | 96.1 | Very high | 96.4 | Very high | 101 Ų | 101 | 27.9 Ų | 27.9 | 54% | 0.54 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -8.4 | -168.9 | -50.1 | -45.4 | 0 | 0 | 0 | 115.1 | H304 | H304-D306 VanDerWaalsContact C-N 3.32Å; H304-D306 IonicContact CE1-OD2 3.94Å; H304-D306 PolarHBondContact CE1-OD2 3.11Å; H304-D306 PolarHBondContact ND1-N 3.28Å; H304-D306 PolarHBondContact O-N 3.06Å |
| 307 | I | 96.6 | Very high | 96.2 | Very high | 26 Ų | 26 | 28.6 Ų | 28.6 | 13% | 0.133 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -89.4 | 161.9 | -179.5 | 77.6 | -178.7 | 0 | 0 | 0 | 111.9 | H304 Y309 T324 G353 I380 | H304-I307 HydrophobicContact CB-CD1 3.84Å; H304-I307 HydrophobicContact CB-CG1 3.9Å; H304-I307 HydrophobicContact CB-CG2 4.07Å; I307-Y309 HydrophobicContact CD1-CE1 4.43Å; I307-Y309 HydrophobicContact CD1-CE2 4.02Å; I307-Y309 WeakPolarHBondContact CD1-OH 3.07Å; I307-Y309 HydrophobicContact CG1-CD2 4.14Å; I307-Y309 HydrophobicContact CG1-CE2 3.35Å; I307-Y309 WeakPolarHBondContact O-CD2 3.34Å; I307-T324 HydrophobicContact CD1-CG2 4.26Å; I307-G353 PolarHBondContact O-N 3.09Å; I307-I380 HydrophobicContact CD1-CG2 4.46Å |
| 308 | D | 97.7 | Very high | 96.2 | Very high | 98 Ų | 98 | 32.9 Ų | 32.9 | 52% | 0.524 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 138.4 | -179.8 | -65.8 | -58.1 | 0 | 0 | 0 | 112.4 | K352 | D308-K352 WeakPolarHBondContact OD1-CD 3.44Å; D308-K352 WeakPolarHBondContact OD1-CE 3.46Å; D308-K352 IonicContact OD1-NZ 2.75Å; D308-K352 PolarHBondContact OD1-NZ 3.41Å; D308-K352 IonicContact OD2-NZ 3.56Å; D308-K352 PolarHBondContact OD2-NZ 2.86Å |
| 309 | Y | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 33 Ų | 33 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 155.6 | 174.8 | -62.2 | -97.1 | 0 | 0 | 0 | 109.8 | V303 H304 I307 C323 T324 F351 L356 G387 V388 | V303-Y309 HydrophobicContact CB-CE2 4.38Å; V303-Y309 WeakPolarHBondContact CB-OH 3.38Å; V303-Y309 HydrophobicContact CG1-CE1 4.44Å; H304-Y309 PolarHBondContact N-OH 2.74Å; I307-Y309 HydrophobicContact CD1-CE1 4.43Å; I307-Y309 HydrophobicContact CD1-CE2 4.02Å; I307-Y309 WeakPolarHBondContact CD1-OH 3.07Å; I307-Y309 HydrophobicContact CG1-CD2 4.14Å; I307-Y309 HydrophobicContact CG1-CE2 3.35Å; I307-Y309 WeakPolarHBondContact O-CD2 3.34Å; Y309-C323 CarbonylContact C-O 3.56Å; Y309-C323 WeakPolarHBondContact CA-O 3.42Å; Y309-T324 HydrophobicContact CD1-CG2 4.3Å; Y309-T324 HydrophobicContact CE1-CG2 4.23Å; Y309-F351 PolarHBondContact N-O 3.04Å; Y309-F351 PolarHBondContact O-N 3.11Å; Y309-L356 HydrophobicContact CD1-CD1 4.36Å; Y309-L356 HydrophobicContact CD2-CD1 4.05Å; Y309-L356 HydrophobicContact CG-CD1 3.94Å; Y309-G387 VanDerWaalsContact CE1-O 3.28Å; Y309-G387 WeakPolarHBondContact CE1-O 3.3Å; Y309-G387 PolarHBondContact OH-O 3.3Å; Y309-V388 HydrophobicContact CD1-CG2 4.35Å; Y309-V388 HydrophobicContact CE1-CG2 3.95Å |
| 310 | V | 97.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.024 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 141.7 | 177.5 | -65 | 0 | 0 | 0 | 0 | 109.6 | V312 I322 C323 Q325 A328 I347 A349 | V310-V312 HydrophobicContact CB-CG1 4.21Å; V310-V312 HydrophobicContact CG2-CG1 3.73Å; V310-I322 WeakPolarHBondContact O-CA 3.3Å; V310-C323 WeakPolarHBondContact CG2-O 3.39Å; V310-C323 PolarHBondContact N-O 2.95Å; V310-C323 PolarHBondContact O-N 3.05Å; V310-C323 VanDerWaalsContact O-N 3.08Å; V310-Q325 HydrophobicContact CG1-CB 4.21Å; V310-Q325 HydrophobicContact CG2-CB 4.34Å; V310-A328 HydrophobicContact CG2-CB 4.16Å; V310-I347 HydrophobicContact CB-CG2 4.32Å; V310-I347 HydrophobicContact CG1-CD1 4.23Å; V310-I347 HydrophobicContact CG1-CG2 4.41Å; V310-A349 WeakPolarHBondContact CA-O 3.23Å |
| 311 | G | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 120.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | L321 I347 V348 A349 | G311-L321 CarbonylContact C-O 3.59Å; G311-L321 WeakPolarHBondContact CA-O 3.25Å; G311-I347 WeakPolarHBondContact O-CA 3.47Å; G311-V348 VanDerWaalsContact O-CG2 3.25Å; G311-V348 WeakPolarHBondContact O-CG2 3.09Å; G311-V348 PolarHBondContact O-N 3.22Å; G311-A349 PolarHBondContact N-O 3.3Å |
| 312 | V | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139.5 | -178.4 | -62.2 | 0 | 0 | 0 | 0 | 111 | V310 I320 L321 A328 L337 I345 D346 I347 | V310-V312 HydrophobicContact CB-CG1 4.21Å; V310-V312 HydrophobicContact CG2-CG1 3.73Å; V312-I320 CarbonylContact O-C 3.51Å; V312-I320 WeakPolarHBondContact O-CA 3.46Å; V312-L321 HydrophobicContact CG2-CB 4.13Å; V312-L321 WeakPolarHBondContact CG2-O 3.21Å; V312-L321 PolarHBondContact N-O 3.06Å; V312-L321 PolarHBondContact O-N 2.91Å; V312-A328 HydrophobicContact CG1-CB 3.97Å; V312-A328 HydrophobicContact CG2-CB 4.29Å; V312-L337 HydrophobicContact CB-CD1 4.44Å; V312-L337 HydrophobicContact CG2-CD1 4.15Å; V312-L337 HydrophobicContact CG2-CD2 3.76Å; V312-I345 HydrophobicContact CB-CG2 4.16Å; V312-I345 HydrophobicContact CG1-CG2 3.46Å; V312-I345 VanDerWaalsContact CG1-CG2 3.46Å; V312-D346 WeakPolarHBondContact CA-O 3.45Å; V312-I347 HydrophobicContact CG1-CG1 4.11Å |
| 313 | K | 96.3 | Very high | 96.3 | Very high | 110 Ų | 110 | 33.1 Ų | 33.1 | 48% | 0.478 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 126 | 175.1 | -172.8 | 179.9 | 178.9 | -175.7 | 0 | 109.6 | D346 V348 | K313-D346 HydrophobicContact CB-CB 4.14Å; K313-D346 PolarHBondContact N-O 3.11Å; K313-V348 HydrophobicContact CB-CG1 4.43Å |
| 314 | S | 96.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 112.6 | 166.1 | 172.9 | 0 | 0 | 0 | 0 | 109 | Q317 S318 C319 I336 L337 | S314-Q317 VanDerWaalsContact OG-CB 3.24Å; S314-Q317 WeakPolarHBondContact OG-CB 3.34Å; S314-Q317 VanDerWaalsContact OG-CG 3.29Å; S314-Q317 WeakPolarHBondContact OG-CG 3.47Å; S314-Q317 PolarHBondContact OG-N 2.93Å; S314-S318 WeakPolarHBondContact O-CA 3.37Å; S314-S318 PolarHBondContact O-N 3.48Å; S314-C319 PolarHBondContact N-O 3.06Å; S314-C319 PolarHBondContact O-N 3.34Å; S314-C319 VanDerWaalsContact O-N 3.16Å; S314-I336 PolarHBondContact OG-O 2.8Å; S314-L337 CarbonylContact C-O 3.36Å |
| 315 | I | 92.7 | Very high | 96.1 | Very high | 79 Ų | 79 | 37.4 Ų | 37.4 | 41% | 0.405 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -43 | 172.3 | -58.9 | -179.6 | 0 | 0 | 0 | 108.8 | Q317 S318 L337 D338 | I315-Q317 VanDerWaalsContact C-N 3.29Å; I315-Q317 PolarHBondContact O-N 2.94Å; I315-S318 PolarHBondContact O-N 3.21Å; I315-S318 VanDerWaalsContact O-N 3.17Å; I315-L337 PolarHBondContact N-O 3.25Å; I315-D338 HydrophobicContact CD1-CB 4.32Å; I315-D338 WeakPolarHBondContact CD1-OD2 3.5Å |
| 316 | Q | 90.9 | Very high | 96 | Very high | 111 Ų | 111 | 39.3 Ų | 39.3 | 52% | 0.519 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -40.6 | 179.8 | -176.9 | 60.7 | 13.4 | 0 | 0 | 112.7 | L337 P339 | Q316-L337 PolarHBondContact N-O 2.89Å; Q316-L337 VanDerWaalsContact N-O 3.17Å; Q316-P339 HydrophobicContact CB-CG 4.08Å; Q316-P339 HydrophobicContact CG-CG 4.21Å |
| 317 | Q | 91.9 | Very high | 96 | Very high | 38 Ų | 38 | 34.5 Ų | 34.5 | 18% | 0.178 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -0.6 | -177.8 | -57 | -66.7 | -48.2 | 0 | 0 | 112.8 | S314 I315 C319 N502 I505 | S314-Q317 VanDerWaalsContact OG-CB 3.24Å; S314-Q317 WeakPolarHBondContact OG-CB 3.34Å; S314-Q317 VanDerWaalsContact OG-CG 3.29Å; S314-Q317 WeakPolarHBondContact OG-CG 3.47Å; S314-Q317 PolarHBondContact OG-N 2.93Å; I315-Q317 VanDerWaalsContact C-N 3.29Å; I315-Q317 PolarHBondContact O-N 2.94Å; Q317-C319 VanDerWaalsContact C-N 3.26Å; Q317-C319 WeakPolarHBondContact CB-SG 3.38Å; Q317-C319 PolarHBondContact O-N 2.81Å; Q317-C319 PolarHBondContact O-SG 2.96Å; Q317-N502 PolarHBondContact OE1-OD1 2.87Å; Q317-N502 VanDerWaalsContact OE1-OD1 3.07Å; Q317-I505 HydrophobicContact CG-CD1 3.82Å |
| 318 | S | 94.2 | Very high | 96 | Very high | 90 Ų | 90 | 33.2 Ų | 33.2 | 63% | 0.629 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 42.8 | -176.9 | -64.1 | 0 | 0 | 0 | 0 | 113.8 | S314 I315 | S314-S318 WeakPolarHBondContact O-CA 3.37Å; S314-S318 PolarHBondContact O-N 3.48Å; I315-S318 PolarHBondContact O-N 3.21Å; I315-S318 VanDerWaalsContact O-N 3.17Å |
| 319 | C | 96.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.02 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 178.9 | -174.7 | 65.4 | 0 | 0 | 0 | 0 | 112.6 | P282 F284 S314 Q317 L321 | P282-C319 HydrophobicContact CG-CB 3.82Å; P282-C319 WeakPolarHBondContact O-CA 3.25Å; P282-C319 VanDerWaalsContact O-CB 3.26Å; P282-C319 WeakPolarHBondContact O-CB 3.46Å; F284-C319 HydrophobicContact CD2-CB 3.75Å; F284-C319 HydrophobicContact CE2-CB 3.62Å; S314-C319 PolarHBondContact N-O 3.06Å; S314-C319 PolarHBondContact O-N 3.34Å; S314-C319 VanDerWaalsContact O-N 3.16Å; Q317-C319 VanDerWaalsContact C-N 3.26Å; Q317-C319 WeakPolarHBondContact CB-SG 3.38Å; Q317-C319 PolarHBondContact O-N 2.81Å; Q317-C319 PolarHBondContact O-SG 2.96Å; C319-L321 WeakPolarHBondContact SG-CD2 3.43Å |
| 320 | I | 97 | Very high | 95.6 | Very high | 6 Ų | 6 | 31.4 Ų | 31.4 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 132.8 | 168 | -67 | 163.2 | 0 | 0 | 0 | 108.9 | L279 V281 P282 I283 F284 V312 V348 | L279-I320 HydrophobicContact CD1-CD1 3.32Å; V281-I320 HydrophobicContact CG2-CD1 3.83Å; V281-I320 HydrophobicContact CG2-CG1 4.11Å; P282-I320 PolarHBondContact O-N 3.35Å; I283-I320 WeakPolarHBondContact CA-O 3.39Å; I283-I320 HydrophobicContact CD1-CD1 4.47Å; I283-I320 HydrophobicContact CG1-CB 4.16Å; I283-I320 HydrophobicContact CG1-CD1 4.25Å; I283-I320 HydrophobicContact CG2-CB 4.26Å; I283-I320 HydrophobicContact CG2-CG2 4.11Å; F284-I320 PolarHBondContact N-O 3.33Å; V312-I320 CarbonylContact O-C 3.51Å; V312-I320 WeakPolarHBondContact O-CA 3.46Å; I320-V348 HydrophobicContact CD1-CG2 4Å; I320-V348 HydrophobicContact CG1-CG2 4.29Å; I320-V348 HydrophobicContact CG2-CG2 3.91Å |
| 321 | L | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 132.1 | 177.2 | -52 | -177.5 | 0 | 0 | 0 | 109.3 | F284 V286 G311 V312 C319 M331 I336 L337 I505 | F284-L321 HydrophobicContact CB-CD2 4.29Å; F284-L321 HydrophobicContact CD2-CD2 4.43Å; F284-L321 CarbonylContact O-C 3.49Å; F284-L321 WeakPolarHBondContact O-CA 3.47Å; V286-L321 HydrophobicContact CG1-CB 4.27Å; V286-L321 HydrophobicContact CG1-CD1 4.41Å; V286-L321 HydrophobicContact CG1-CD2 3.73Å; V286-L321 HydrophobicContact CG1-CG 4.35Å; V286-L321 HydrophobicContact CG2-CB 4.26Å; G311-L321 CarbonylContact C-O 3.59Å; G311-L321 WeakPolarHBondContact CA-O 3.25Å; V312-L321 HydrophobicContact CG2-CB 4.13Å; V312-L321 WeakPolarHBondContact CG2-O 3.21Å; V312-L321 PolarHBondContact N-O 3.06Å; V312-L321 PolarHBondContact O-N 2.91Å; C319-L321 WeakPolarHBondContact SG-CD2 3.43Å; L321-M331 HydrophobicContact CD1-SD 4.17Å; L321-I336 HydrophobicContact CD1-CG2 4.27Å; L321-L337 HydrophobicContact CD1-CD2 4.1Å; L321-I505 HydrophobicContact CD1-CD1 4.14Å |
| 322 | I | 98.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 118.9 | 174.7 | -60.6 | 176.9 | 0 | 0 | 0 | 108.8 | F269 I283 F284 L285 V286 V310 F351 L356 | F269-I322 HydrophobicContact CE1-CD1 3.98Å; F269-I322 HydrophobicContact CZ-CD1 3.84Å; I283-I322 HydrophobicContact CG2-CD1 3.71Å; I283-I322 HydrophobicContact CG2-CG1 4.07Å; F284-I322 PolarHBondContact O-N 3.19Å; L285-I322 HydrophobicContact CD1-CD1 4.15Å; L285-I322 HydrophobicContact CG-CB 4.18Å; L285-I322 HydrophobicContact CG-CG2 4.34Å; V286-I322 WeakPolarHBondContact CG2-O 3.34Å; V286-I322 PolarHBondContact N-O 3.24Å; V310-I322 WeakPolarHBondContact O-CA 3.3Å; I322-F351 HydrophobicContact CD1-CE2 4.17Å; I322-F351 HydrophobicContact CD1-CZ 4.1Å; I322-F351 HydrophobicContact CG1-CE2 4.26Å; I322-F351 HydrophobicContact CG2-CD2 4.48Å; I322-L356 HydrophobicContact CD1-CD2 4.29Å; I322-L356 HydrophobicContact CG2-CD1 3.85Å; I322-L356 HydrophobicContact CG2-CD2 4.3Å |
| 323 | C | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 175.1 | -179.8 | 59.6 | 0 | 0 | 0 | 0 | 110.8 | V286 Y309 V310 A327 M331 T386 | V286-C323 HydrophobicContact CG2-CB 3.76Å; Y309-C323 CarbonylContact C-O 3.56Å; Y309-C323 WeakPolarHBondContact CA-O 3.42Å; V310-C323 WeakPolarHBondContact CG2-O 3.39Å; V310-C323 PolarHBondContact N-O 2.95Å; V310-C323 PolarHBondContact O-N 3.05Å; V310-C323 VanDerWaalsContact O-N 3.08Å; C323-A327 HydrophobicContact CB-CB 4.27Å; C323-M331 HydrophobicContact CB-CE 4.31Å; C323-T386 WeakPolarHBondContact CA-O 3.42Å; C323-T386 HydrophobicContact CB-CG2 4.24Å |
| 324 | T | 97.7 | Very high | 95.1 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | trans | -64.8 | 151 | 168.9 | 58.7 | 0 | 0 | 0 | 0 | 111.4 | I307 Y309 R326 A327 A328 T386 | I307-T324 HydrophobicContact CD1-CG2 4.26Å; Y309-T324 HydrophobicContact CD1-CG2 4.3Å; Y309-T324 HydrophobicContact CE1-CG2 4.23Å; T324-R326 PolarHBondContact O-N 3.21Å; T324-A327 PolarHBondContact O-N 2.81Å; T324-A327 WeakPolarHBondContact OG1-CB 3.37Å; T324-A327 PolarHBondContact OG1-N 2.98Å; T324-A328 PolarHBondContact O-N 2.94Å; T324-T386 WeakPolarHBondContact CG2-O 3.02Å; T324-T386 PolarHBondContact N-O 2.81Å | ||
| 325 | Q | 95.1 | Very high | 94.8 | Very high | 114 Ų | 114 | 29 Ų | 29 | 53% | 0.533 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -57.9 | -36.4 | 177.7 | -175.3 | 172.2 | -2.2 | 0 | 0 | 112.7 | V310 A327 A328 Q329 | V310-Q325 HydrophobicContact CG1-CB 4.21Å; V310-Q325 HydrophobicContact CG2-CB 4.34Å; Q325-A327 VanDerWaalsContact C-N 3.35Å; Q325-A327 PolarHBondContact O-N 3.2Å; Q325-A328 WeakPolarHBondContact O-CB 3.29Å; Q325-A328 PolarHBondContact O-N 3.41Å; Q325-Q329 PolarHBondContact O-N 2.63Å |
| 326 | R | 93.7 | Very high | 94.9 | Very high | 39 Ų | 39 | 25.8 Ų | 25.8 | 15% | 0.147 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.6 | -45.5 | 174.6 | -178.5 | -173.9 | 173.6 | -83.1 | -4.9 | 112.4 | T324 Q329 N330 S383 E509 E521 | T324-R326 PolarHBondContact O-N 3.21Å; R326-Q329 WeakPolarHBondContact O-CB 3.17Å; R326-Q329 PolarHBondContact O-N 2.72Å; R326-N330 PolarHBondContact O-N 2.88Å; R326-N330 VanDerWaalsContact O-N 3.17Å; R326-N330 PolarHBondContact O-ND2 2.94Å; R326-S383 VanDerWaalsContact CZ-O 3.27Å; R326-S383 PolarHBondContact NH1-O 2.91Å; R326-E509 IonicContact NH1-OE2 3.02Å; R326-E509 PolarHBondContact NH1-OE2 3.23Å; R326-E521 IonicContact CZ-OE1 3.56Å; R326-E521 VanDerWaalsContact CZ-OE1 3.23Å; R326-E521 IonicContact NE-OE1 3.26Å; R326-E521 PolarHBondContact NE-OE1 2.88Å; R326-E521 IonicContact NE-OE2 2.8Å; R326-E521 IonicContact NH2-OE1 3.7Å; R326-E521 PolarHBondContact NH2-OE1 3.33Å |
| 327 | A | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -69.3 | -38.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | C323 T324 Q325 Q329 N330 M331 T386 | C323-A327 HydrophobicContact CB-CB 4.27Å; T324-A327 PolarHBondContact O-N 2.81Å; T324-A327 WeakPolarHBondContact OG1-CB 3.37Å; T324-A327 PolarHBondContact OG1-N 2.98Å; Q325-A327 VanDerWaalsContact C-N 3.35Å; Q325-A327 PolarHBondContact O-N 3.2Å; A327-Q329 VanDerWaalsContact C-N 3.28Å; A327-Q329 PolarHBondContact O-N 3.2Å; A327-N330 PolarHBondContact O-N 3Å; A327-M331 HydrophobicContact CB-CE 4.04Å; A327-M331 WeakPolarHBondContact O-CB 3.19Å; A327-M331 VanDerWaalsContact O-CG 3.28Å; A327-M331 WeakPolarHBondContact O-CG 3.33Å; A327-M331 PolarHBondContact O-N 3.32Å; A327-T386 HydrophobicContact CB-CG2 4Å |
| 328 | A | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.5 | -39.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | V310 V312 T324 Q325 M331 A332 I345 | V310-A328 HydrophobicContact CG2-CB 4.16Å; V312-A328 HydrophobicContact CG1-CB 3.97Å; V312-A328 HydrophobicContact CG2-CB 4.29Å; T324-A328 PolarHBondContact O-N 2.94Å; Q325-A328 WeakPolarHBondContact O-CB 3.29Å; Q325-A328 PolarHBondContact O-N 3.41Å; A328-M331 PolarHBondContact O-N 3.42Å; A328-A332 WeakPolarHBondContact O-CB 3.03Å; A328-A332 PolarHBondContact O-N 3.47Å; A328-I345 HydrophobicContact CB-CD1 4.06Å; A328-I345 HydrophobicContact CB-CG2 4.36Å |
| 329 | Q | 93.8 | Very high | 94.9 | Very high | 58 Ų | 58 | 17.7 Ų | 17.7 | 27% | 0.271 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -60.6 | -49.3 | 173.7 | -166.4 | 74.1 | 12 | 0 | 0 | 111.7 | Q325 R326 A327 M331 A332 Y333 I345 V523 | Q325-Q329 PolarHBondContact O-N 2.63Å; R326-Q329 WeakPolarHBondContact O-CB 3.17Å; R326-Q329 PolarHBondContact O-N 2.72Å; A327-Q329 VanDerWaalsContact C-N 3.28Å; A327-Q329 PolarHBondContact O-N 3.2Å; Q329-M331 VanDerWaalsContact C-N 3.34Å; Q329-M331 PolarHBondContact O-N 3.08Å; Q329-A332 WeakPolarHBondContact O-CB 3.37Å; Q329-A332 PolarHBondContact O-N 3.21Å; Q329-Y333 HydrophobicContact CG-CE2 4.38Å; Q329-Y333 WeakPolarHBondContact O-CD2 3.39Å; Q329-Y333 PolarHBondContact O-N 3.17Å; Q329-I345 HydrophobicContact CB-CD1 4.27Å; Q329-V523 HydrophobicContact CG-CG1 3.97Å |
| 330 | N | 94.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.011 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 175 | -83.5 | -70.1 | 0 | 0 | 0 | 111.9 | R326 A327 A332 Y333 Q334 Y507 V523 V524 | R326-N330 PolarHBondContact O-N 2.88Å; R326-N330 VanDerWaalsContact O-N 3.17Å; R326-N330 PolarHBondContact O-ND2 2.94Å; A327-N330 PolarHBondContact O-N 3Å; N330-A332 VanDerWaalsContact C-N 3.28Å; N330-A332 PolarHBondContact O-N 3.15Å; N330-Y333 PolarHBondContact O-N 3.26Å; N330-Q334 PolarHBondContact O-N 2.99Å; N330-Q334 PolarHBondContact O-NE2 3.26Å; N330-Y507 HydrophobicContact CB-CE2 3.53Å; N330-Y507 WeakPolarHBondContact CB-OH 3.45Å; N330-V523 WeakPolarHBondContact OD1-CA 3.35Å; N330-V523 WeakPolarHBondContact OD1-CB 3.02Å; N330-V524 PolarHBondContact OD1-N 3.15Å |
| 331 | M | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -36.9 | 177.7 | -72.9 | -179.2 | -147.3 | 0 | 0 | 112.9 | L260 V286 L321 C323 A327 A328 Q329 Y333 Q334 G335 I336 L337 T386 Y507 | L260-M331 HydrophobicContact CD1-CE 3.44Å; L260-M331 VanDerWaalsContact CD1-CE 3.44Å; L260-M331 HydrophobicContact CD1-SD 4.14Å; V286-M331 HydrophobicContact CG2-CE 4.03Å; L321-M331 HydrophobicContact CD1-SD 4.17Å; C323-M331 HydrophobicContact CB-CE 4.31Å; A327-M331 HydrophobicContact CB-CE 4.04Å; A327-M331 WeakPolarHBondContact O-CB 3.19Å; A327-M331 VanDerWaalsContact O-CG 3.28Å; A327-M331 WeakPolarHBondContact O-CG 3.33Å; A327-M331 PolarHBondContact O-N 3.32Å; A328-M331 PolarHBondContact O-N 3.42Å; Q329-M331 VanDerWaalsContact C-N 3.34Å; Q329-M331 PolarHBondContact O-N 3.08Å; M331-Y333 VanDerWaalsContact C-N 3.3Å; M331-Y333 PolarHBondContact O-N 3.07Å; M331-Q334 PolarHBondContact O-N 3.19Å; M331-G335 PolarHBondContact O-N 3.32Å; M331-I336 HydrophobicContact CB-CB 3.91Å; M331-I336 HydrophobicContact CB-CD1 4.34Å; M331-I336 HydrophobicContact CB-CG2 4.1Å; M331-I336 HydrophobicContact CG-CB 4.24Å; M331-I336 HydrophobicContact CG-CD1 4Å; M331-I336 HydrophobicContact CG-CG2 4.07Å; M331-I336 PolarHBondContact O-N 3.2Å; M331-I336 VanDerWaalsContact O-N 3.07Å; M331-I336 HydrophobicContact SD-CG2 4.13Å; M331-L337 HydrophobicContact CB-CD1 4.44Å; M331-L337 HydrophobicContact CB-CD2 4.23Å; M331-L337 HydrophobicContact CB-CG 3.98Å; M331-T386 HydrophobicContact CE-CG2 3.63Å; M331-Y507 HydrophobicContact CE-CD2 4.33Å; M331-Y507 HydrophobicContact CE-CE2 4.29Å; M331-Y507 HydrophobicContact CG-CD2 3.73Å; M331-Y507 HydrophobicContact CG-CE2 3.82Å |
| 332 | A | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.7 | -33.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A328 Q329 N330 L337 G343 I345 | A328-A332 WeakPolarHBondContact O-CB 3.03Å; A328-A332 PolarHBondContact O-N 3.47Å; Q329-A332 WeakPolarHBondContact O-CB 3.37Å; Q329-A332 PolarHBondContact O-N 3.21Å; N330-A332 VanDerWaalsContact C-N 3.28Å; N330-A332 PolarHBondContact O-N 3.15Å; A332-L337 HydrophobicContact CB-CD1 4.11Å; A332-G343 PolarHBondContact O-N 3.06Å; A332-I345 HydrophobicContact CB-CG1 4Å |
| 333 | Y | 92 | Very high | 93.1 | Very high | 32 Ų | 32 | 34.8 Ų | 34.8 | 13% | 0.125 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -86.4 | -5.8 | 177.4 | -75 | -83.7 | 0 | 0 | 0 | 114.4 | F234 A236 Q329 N330 M331 V523 A525 L526 | F234-Y333 HydrophobicContact CD1-CD1 4.05Å; F234-Y333 HydrophobicContact CD1-CE1 4.13Å; F234-Y333 AromaticContact CE1-CD1 3.74Å; F234-Y333 HydrophobicContact CE1-CD1 3.74Å; F234-Y333 AromaticContact CE1-CE1 3.54Å; F234-Y333 HydrophobicContact CE1-CE1 3.54Å; F234-Y333 HydrophobicContact CZ-CD1 4.48Å; F234-Y333 HydrophobicContact CZ-CE1 4.39Å; A236-Y333 HydrophobicContact CB-CE2 3.68Å; A236-Y333 WeakPolarHBondContact CB-OH 3.3Å; A236-Y333 PolarHBondContact O-OH 3.36Å; Q329-Y333 HydrophobicContact CG-CE2 4.38Å; Q329-Y333 WeakPolarHBondContact O-CD2 3.39Å; Q329-Y333 PolarHBondContact O-N 3.17Å; N330-Y333 PolarHBondContact O-N 3.26Å; M331-Y333 VanDerWaalsContact C-N 3.3Å; M331-Y333 PolarHBondContact O-N 3.07Å; Y333-V523 HydrophobicContact CD2-CG2 3.74Å; Y333-V523 HydrophobicContact CE2-CG2 4.23Å; Y333-V523 HydrophobicContact CG-CG2 4Å; Y333-A525 HydrophobicContact CD1-CB 4.47Å; Y333-A525 HydrophobicContact CG-CB 4.5Å; Y333-L526 PolarHBondContact O-N 3.3Å |
| 334 | Q | 92.7 | Very high | 92.8 | Very high | 14 Ų | 14 | 38 Ų | 38 | 7% | 0.065 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 4.5 | 176.6 | -67.3 | 170.2 | 38.2 | 0 | 0 | 112.5 | Y231 N330 M331 I336 Y508 V524 | Y231-Q334 HydrophobicContact CD1-CG 4.24Å; Y231-Q334 HydrophobicContact CE1-CB 4.41Å; Y231-Q334 HydrophobicContact CE1-CG 3.95Å; N330-Q334 PolarHBondContact O-N 2.99Å; N330-Q334 PolarHBondContact O-NE2 3.26Å; M331-Q334 PolarHBondContact O-N 3.19Å; Q334-I336 HydrophobicContact CB-CD1 4.05Å; Q334-I336 HydrophobicContact CB-CG1 4.14Å; Q334-I336 PolarHBondContact O-N 3.25Å; Q334-Y508 PolarHBondContact NE2-O 2.92Å; Q334-V524 WeakPolarHBondContact CG-O 3.41Å; Q334-V524 PolarHBondContact NE2-O 3.17Å |
| 335 | G | 89.8 | Confident | 92.7 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 14.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | M331 P339 | M331-G335 PolarHBondContact O-N 3.32Å; G335-P339 WeakPolarHBondContact O-CG 3.35Å |
| 336 | I | 94.8 | Very high | 92.7 | Very high | 11 Ų | 11 | 36.6 Ų | 36.6 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -74.7 | -29.9 | 179.7 | -65.2 | 169.7 | 0 | 0 | 0 | 111 | S314 L321 M331 Q334 I505 Y507 | S314-I336 PolarHBondContact OG-O 2.8Å; L321-I336 HydrophobicContact CD1-CG2 4.27Å; M331-I336 HydrophobicContact CB-CB 3.91Å; M331-I336 HydrophobicContact CB-CD1 4.34Å; M331-I336 HydrophobicContact CB-CG2 4.1Å; M331-I336 HydrophobicContact CG-CB 4.24Å; M331-I336 HydrophobicContact CG-CD1 4Å; M331-I336 HydrophobicContact CG-CG2 4.07Å; M331-I336 PolarHBondContact O-N 3.2Å; M331-I336 VanDerWaalsContact O-N 3.07Å; M331-I336 HydrophobicContact SD-CG2 4.13Å; Q334-I336 HydrophobicContact CB-CD1 4.05Å; Q334-I336 HydrophobicContact CB-CG1 4.14Å; Q334-I336 PolarHBondContact O-N 3.25Å; I336-I505 HydrophobicContact CD1-CG2 3.93Å; I336-I505 HydrophobicContact CG1-CG2 3.99Å; I336-I505 HydrophobicContact CG2-CD1 3.99Å; I336-I505 HydrophobicContact CG2-CG2 4.05Å; I336-Y507 HydrophobicContact CD1-CD2 4.21Å |
| 337 | L | 96.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -92.1 | -69.6 | 178.4 | -56.9 | -173.1 | 0 | 0 | 0 | 111.7 | V312 S314 I315 Q316 L321 M331 A332 I345 | V312-L337 HydrophobicContact CB-CD1 4.44Å; V312-L337 HydrophobicContact CG2-CD1 4.15Å; V312-L337 HydrophobicContact CG2-CD2 3.76Å; S314-L337 CarbonylContact C-O 3.36Å; I315-L337 PolarHBondContact N-O 3.25Å; Q316-L337 PolarHBondContact N-O 2.89Å; Q316-L337 VanDerWaalsContact N-O 3.17Å; L321-L337 HydrophobicContact CD1-CD2 4.1Å; M331-L337 HydrophobicContact CB-CD1 4.44Å; M331-L337 HydrophobicContact CB-CD2 4.23Å; M331-L337 HydrophobicContact CB-CG 3.98Å; A332-L337 HydrophobicContact CB-CD1 4.11Å; L337-I345 HydrophobicContact CD1-CG1 4.27Å; L337-I345 HydrophobicContact CD1-CG2 4.3Å |
| 338 | D | 94 | Very high | 92.6 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 6% | 0.059 | 22% | 0.222 | C | C | . | . | trans | -136.1 | 98.8 | 179.9 | -173.5 | -13 | 0 | 0 | 0 | 109.9 | I315 L340 R341 | I315-D338 HydrophobicContact CD1-CB 4.32Å; I315-D338 WeakPolarHBondContact CD1-OD2 3.5Å; D338-L340 PolarHBondContact O-N 2.87Å; D338-L340 WeakPolarHBondContact OD1-CB 3.28Å; D338-L340 PolarHBondContact OD1-N 2.86Å; D338-R341 CarbonylContact O-C 3.42Å; D338-R341 VanDerWaalsContact O-C 3.31Å; D338-R341 PolarHBondContact O-N 3.47Å; D338-R341 PolarHBondContact OD1-N 3.28Å; D338-R341 IonicContact OD2-CZ 3.49Å; D338-R341 VanDerWaalsContact OD2-CZ 3.26Å; D338-R341 IonicContact OD2-NE 2.7Å; D338-R341 PolarHBondContact OD2-NE 3.13Å; D338-R341 IonicContact OD2-NH2 3.43Å; D338-R341 PolarHBondContact OD2-NH2 3.46Å | ||
| 339 | P | 87.8 | Confident | 92.5 | Very high | 57 Ų | 57 | 41.8 Ų | 41.8 | 37% | 0.37 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.3 | 179.4 | -15.9 | 23 | 0 | 0 | 0 | 114.1 | Q316 G335 | Q316-P339 HydrophobicContact CB-CG 4.08Å; Q316-P339 HydrophobicContact CG-CG 4.21Å; G335-P339 WeakPolarHBondContact O-CG 3.35Å |
| 340 | L | 88.6 | Confident | 92.6 | Very high | 161 Ų | 161 | 44 Ų | 44 | 84% | 0.843 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -19.2 | -179.6 | -61.4 | 177.6 | 0 | 0 | 0 | 112.2 | D338 | D338-L340 PolarHBondContact O-N 2.87Å; D338-L340 WeakPolarHBondContact OD1-CB 3.28Å; D338-L340 PolarHBondContact OD1-N 2.86Å |
| 341 | R | 88.1 | Confident | 92.7 | Very high | 104 Ų | 104 | 44.1 Ų | 44.1 | 39% | 0.392 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -130 | 73.6 | 176.3 | -63.3 | -177 | -66 | 156.2 | 6.7 | 110.5 | D338 G343 H344 D346 | D338-R341 CarbonylContact O-C 3.42Å; D338-R341 VanDerWaalsContact O-C 3.31Å; D338-R341 PolarHBondContact O-N 3.47Å; D338-R341 PolarHBondContact OD1-N 3.28Å; D338-R341 IonicContact OD2-CZ 3.49Å; D338-R341 VanDerWaalsContact OD2-CZ 3.26Å; D338-R341 IonicContact OD2-NE 2.7Å; D338-R341 PolarHBondContact OD2-NE 3.13Å; D338-R341 IonicContact OD2-NH2 3.43Å; D338-R341 PolarHBondContact OD2-NH2 3.46Å; R341-G343 PolarHBondContact O-N 2.91Å; R341-H344 HydrophobicContact CB-CB 3.77Å; R341-H344 VanDerWaalsContact CZ-CD2 3.42Å; R341-H344 PolarHBondContact NH1-CD2 3.33Å; R341-H344 PolarHBondContact NH1-NE2 3.34Å; R341-H344 PolarHBondContact NH2-CD2 3.04Å; R341-H344 VanDerWaalsContact O-CB 3.25Å; R341-H344 WeakPolarHBondContact O-CB 3.43Å; R341-H344 PolarHBondContact O-N 3.29Å; R341-H344 VanDerWaalsContact O-N 3.1Å; R341-D346 IonicContact NH2-OD2 2.72Å; R341-D346 PolarHBondContact NH2-OD2 3.11Å |
| 342 | P | 85.7 | Confident | 92.7 | Very high | 88 Ų | 88 | 48.2 Ų | 48.2 | 57% | 0.571 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 136.1 | 177.6 | -25.4 | 34.4 | 0 | 0 | 0 | 112.3 | H344 | P342-H344 PolarHBondContact O-N 2.94Š|
| 343 | G | 88.7 | Confident | 92.7 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | -9.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A332 R341 | A332-G343 PolarHBondContact O-N 3.06Å; R341-G343 PolarHBondContact O-N 2.91Å |
| 344 | H | 92.9 | Very high | 92.9 | Very high | 68 Ų | 68 | 49.7 Ų | 49.7 | 32% | 0.315 | 27% | 0.271 | S | S | . | . | trans | -79.6 | 135.5 | 177.2 | -173.4 | 78.4 | 0 | 0 | 0 | 111.8 | R341 P342 D346 | R341-H344 HydrophobicContact CB-CB 3.77Å; R341-H344 VanDerWaalsContact CZ-CD2 3.42Å; R341-H344 PolarHBondContact NH1-CD2 3.33Å; R341-H344 PolarHBondContact NH1-NE2 3.34Å; R341-H344 PolarHBondContact NH2-CD2 3.04Å; R341-H344 VanDerWaalsContact O-CB 3.25Å; R341-H344 WeakPolarHBondContact O-CB 3.43Å; R341-H344 PolarHBondContact O-N 3.29Å; R341-H344 VanDerWaalsContact O-N 3.1Å; P342-H344 PolarHBondContact O-N 2.94Å; H344-D346 IonicContact CD2-OD1 3.27Å; H344-D346 IonicContact CD2-OD2 3.53Å; H344-D346 IonicContact CE1-OD1 3.96Å; H344-D346 VanDerWaalsContact NE2-CG 3.32Å; H344-D346 IonicContact NE2-OD1 2.91Å; H344-D346 PolarHBondContact NE2-OD1 2.87Å; H344-D346 IonicContact NE2-OD2 2.87Å | ||
| 345 | I | 94.5 | Very high | 93 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 17% | 0.169 | 28% | 0.275 | C | S | . | . | trans | -123.9 | 121.5 | 177.6 | -53.4 | 178 | 0 | 0 | 0 | 110.1 | V312 A328 Q329 A332 L337 I347 | V312-I345 HydrophobicContact CB-CG2 4.16Å; V312-I345 HydrophobicContact CG1-CG2 3.46Å; V312-I345 VanDerWaalsContact CG1-CG2 3.46Å; A328-I345 HydrophobicContact CB-CD1 4.06Å; A328-I345 HydrophobicContact CB-CG2 4.36Å; Q329-I345 HydrophobicContact CB-CD1 4.27Å; A332-I345 HydrophobicContact CB-CG1 4Å; L337-I345 HydrophobicContact CD1-CG1 4.27Å; L337-I345 HydrophobicContact CD1-CG2 4.3Å; I345-I347 HydrophobicContact CG2-CG1 3.74Å | ||
| 346 | D | 94.7 | Very high | 93.3 | Very high | 54 Ų | 54 | 49.5 Ų | 49.5 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | trans | -97.1 | 91.2 | 171.7 | -75.7 | -39.2 | 0 | 0 | 0 | 110.2 | V312 K313 R341 H344 | V312-D346 WeakPolarHBondContact CA-O 3.45Å; K313-D346 HydrophobicContact CB-CB 4.14Å; K313-D346 PolarHBondContact N-O 3.11Å; R341-D346 IonicContact NH2-OD2 2.72Å; R341-D346 PolarHBondContact NH2-OD2 3.11Å; H344-D346 IonicContact CD2-OD1 3.27Å; H344-D346 IonicContact CD2-OD2 3.53Å; H344-D346 IonicContact CE1-OD1 3.96Å; H344-D346 VanDerWaalsContact NE2-CG 3.32Å; H344-D346 IonicContact NE2-OD1 2.91Å; H344-D346 PolarHBondContact NE2-OD1 2.87Å; H344-D346 IonicContact NE2-OD2 2.87Å | ||
| 347 | I | 95.7 | Very high | 93.4 | Very high | 72 Ų | 72 | 50 Ų | 50 | 37% | 0.369 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 124.6 | 177.5 | -58.2 | 175 | 0 | 0 | 0 | 109.9 | V310 G311 V312 I345 | V310-I347 HydrophobicContact CB-CG2 4.32Å; V310-I347 HydrophobicContact CG1-CD1 4.23Å; V310-I347 HydrophobicContact CG1-CG2 4.41Å; G311-I347 WeakPolarHBondContact O-CA 3.47Å; V312-I347 HydrophobicContact CG1-CG1 4.11Å; I345-I347 HydrophobicContact CG2-CG1 3.74Å |
| 348 | V | 93.3 | Very high | 93.4 | Very high | 65 Ų | 65 | 50.8 Ų | 50.8 | 39% | 0.394 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | -22.9 | 177.1 | -61.7 | 0 | 0 | 0 | 0 | 113.4 | L276 G311 K313 I320 | L276-V348 HydrophobicContact CD2-CG2 4.37Å; G311-V348 VanDerWaalsContact O-CG2 3.25Å; G311-V348 WeakPolarHBondContact O-CG2 3.09Å; G311-V348 PolarHBondContact O-N 3.22Å; K313-V348 HydrophobicContact CB-CG1 4.43Å; I320-V348 HydrophobicContact CD1-CG2 4Å; I320-V348 HydrophobicContact CG1-CG2 4.29Å; I320-V348 HydrophobicContact CG2-CG2 3.91Å |
| 349 | A | 94.2 | Very high | 93.5 | Very high | 12 Ų | 12 | 50.6 Ų | 50.6 | 10% | 0.099 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 152.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F273 L276 V310 G311 F351 | F273-A349 HydrophobicContact CD1-CB 4.36Å; L276-A349 HydrophobicContact CD1-CB 4.08Å; L276-A349 HydrophobicContact CD2-CB 4.34Å; V310-A349 WeakPolarHBondContact CA-O 3.23Å; G311-A349 PolarHBondContact N-O 3.3Å; A349-F351 HydrophobicContact CB-CD2 4.47Å; A349-F351 HydrophobicContact CB-CE1 4.37Å; A349-F351 HydrophobicContact CB-CE2 3.68Å; A349-F351 HydrophobicContact CB-CZ 3.64Å |
| 350 | N | 96.3 | Very high | 94 | Very high | 105 Ų | 105 | 50.3 Ų | 50.3 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 133.9 | 171.7 | -63.2 | -75.2 | 0 | 0 | 0 | 109.1 | F273 | F273-N350 VanDerWaalsContact CE1-O 3.26Å; F273-N350 WeakPolarHBondContact CE1-O 3.31Å; F273-N350 WeakPolarHBondContact CZ-O 3.37Å |
| 351 | F | 96.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 144.7 | -176.4 | -52.2 | -92.8 | 0 | 0 | 0 | 110.3 | F269 F273 L276 Y309 I322 A349 D355 L356 | F269-F351 HydrophobicContact CD1-CE1 4.18Å; F269-F351 HydrophobicContact CE1-CE1 4.05Å; F269-F351 HydrophobicContact CE1-CZ 4.28Å; F273-F351 HydrophobicContact CB-CE1 4.46Å; F273-F351 HydrophobicContact CD1-CD1 4.04Å; F273-F351 AromaticContact CD1-CE1 3.66Å; F273-F351 HydrophobicContact CD1-CE1 3.66Å; F273-F351 HydrophobicContact CD1-CZ 4.41Å; F273-F351 HydrophobicContact CD2-CD1 4.1Å; F273-F351 HydrophobicContact CD2-CE1 4.02Å; F273-F351 AromaticContact CE1-CD1 3.65Å; F273-F351 HydrophobicContact CE1-CD1 3.65Å; F273-F351 AromaticContact CE1-CE1 3.76Å; F273-F351 HydrophobicContact CE1-CE1 3.76Å; F273-F351 HydrophobicContact CE1-CG 4.4Å; F273-F351 AromaticContact CE2-CD1 3.75Å; F273-F351 HydrophobicContact CE2-CD1 3.75Å; F273-F351 HydrophobicContact CE2-CE1 4.14Å; F273-F351 HydrophobicContact CG-CD1 4.23Å; F273-F351 AromaticContact CG-CE1 3.78Å; F273-F351 HydrophobicContact CG-CE1 3.78Å; F273-F351 AromaticContact CZ-CD1 3.48Å; F273-F351 HydrophobicContact CZ-CD1 3.48Å; F273-F351 VanDerWaalsContact CZ-CD1 3.48Å; F273-F351 AromaticContact CZ-CE1 3.99Å; F273-F351 HydrophobicContact CZ-CE1 3.99Å; F273-F351 HydrophobicContact CZ-CG 4.28Å; L276-F351 HydrophobicContact CD1-CE1 3.85Å; L276-F351 HydrophobicContact CD1-CZ 3.44Å; L276-F351 VanDerWaalsContact CD1-CZ 3.44Å; Y309-F351 PolarHBondContact N-O 3.04Å; Y309-F351 PolarHBondContact O-N 3.11Å; I322-F351 HydrophobicContact CD1-CE2 4.17Å; I322-F351 HydrophobicContact CD1-CZ 4.1Å; I322-F351 HydrophobicContact CG1-CE2 4.26Å; I322-F351 HydrophobicContact CG2-CD2 4.48Å; A349-F351 HydrophobicContact CB-CD2 4.47Å; A349-F351 HydrophobicContact CB-CE1 4.37Å; A349-F351 HydrophobicContact CB-CE2 3.68Å; A349-F351 HydrophobicContact CB-CZ 3.64Å; F351-D355 HydrophobicContact CB-CB 4.31Å; F351-D355 HydrophobicContact CD1-CB 4.32Å; F351-L356 HydrophobicContact CB-CD2 4.24Å; F351-L356 HydrophobicContact CB-CG 4.24Å; F351-L356 HydrophobicContact CD1-CD2 3.75Å; F351-L356 HydrophobicContact CD2-CD2 4.47Å; F351-L356 HydrophobicContact CE1-CD2 4.14Å; F351-L356 HydrophobicContact CG-CD2 3.93Å; F351-L356 HydrophobicContact CG-CG 4.46Å |
| 352 | K | 95.4 | Very high | 94.8 | Very high | 86 Ų | 86 | 43.3 Ų | 43.3 | 37% | 0.374 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 150.9 | 152 | -74.3 | -68.5 | -178.5 | -169.1 | 0 | 108.8 | D308 T354 D355 | D308-K352 WeakPolarHBondContact OD1-CD 3.44Å; D308-K352 WeakPolarHBondContact OD1-CE 3.46Å; D308-K352 IonicContact OD1-NZ 2.75Å; D308-K352 PolarHBondContact OD1-NZ 3.41Å; D308-K352 IonicContact OD2-NZ 3.56Å; D308-K352 PolarHBondContact OD2-NZ 2.86Å; K352-T354 PolarHBondContact O-N 3.28Å; K352-T354 VanDerWaalsContact O-N 3.13Å; K352-D355 PolarHBondContact N-OD2 3.21Å; K352-D355 WeakPolarHBondContact O-CA 3.26Å; K352-D355 WeakPolarHBondContact O-CB 3.24Å; K352-D355 PolarHBondContact O-N 2.86Å |
| 353 | G | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -53.9 | -34.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | H304 P305 I307 D355 L356 L357 | H304-G353 WeakPolarHBondContact O-CA 3.49Å; P305-G353 CarbonylContact O-C 3.53Å; P305-G353 VanDerWaalsContact O-CA 3.26Å; P305-G353 WeakPolarHBondContact O-CA 3.29Å; P305-G353 PolarHBondContact O-N 3.18Å; I307-G353 PolarHBondContact O-N 3.09Å; G353-D355 PolarHBondContact O-N 3.16Å; G353-L356 WeakPolarHBondContact O-CB 3.43Å; G353-L356 PolarHBondContact O-N 3.03Å; G353-L357 PolarHBondContact O-N 3.22Å |
| 354 | T | 95.1 | Very high | 95.5 | Very high | 64 Ų | 64 | 39.4 Ų | 39.4 | 39% | 0.393 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -56.4 | -31.3 | 171.8 | 50.7 | 0 | 0 | 0 | 0 | 113.8 | P305 K352 L356 Y416 | P305-T354 HydrophobicContact CB-CG2 3.66Å; P305-T354 PolarHBondContact O-N 2.6Å; K352-T354 PolarHBondContact O-N 3.28Å; K352-T354 VanDerWaalsContact O-N 3.13Å; T354-L356 PolarHBondContact O-N 3.27Å; T354-Y416 HydrophobicContact CG2-CD1 4.36Å; T354-Y416 HydrophobicContact CG2-CE1 4.26Å |
| 355 | D | 95 | Very high | 95.5 | Very high | 29 Ų | 29 | 38.3 Ų | 38.3 | 16% | 0.155 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -70.8 | -18 | 178.1 | -65 | -36.3 | 0 | 0 | 0 | 112.3 | K272 F273 F351 K352 G353 | K272-D355 IonicContact NZ-OD1 3.14Å; K272-D355 PolarHBondContact NZ-OD1 2.77Å; K272-D355 IonicContact NZ-OD2 2.76Å; K272-D355 PolarHBondContact NZ-OD2 3.42Å; F273-D355 HydrophobicContact CE2-CB 3.66Å; F273-D355 HydrophobicContact CZ-CB 4.17Å; F351-D355 HydrophobicContact CB-CB 4.31Å; F351-D355 HydrophobicContact CD1-CB 4.32Å; K352-D355 PolarHBondContact N-OD2 3.21Å; K352-D355 WeakPolarHBondContact O-CA 3.26Å; K352-D355 WeakPolarHBondContact O-CB 3.24Å; K352-D355 PolarHBondContact O-N 2.86Å; G353-D355 PolarHBondContact O-N 3.16Å |
| 356 | L | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -17.1 | -178.1 | -58.1 | 177 | 0 | 0 | 0 | 113.2 | F269 Y309 I322 F351 G353 T354 L359 V374 | F269-L356 HydrophobicContact CE1-CD2 4.44Å; Y309-L356 HydrophobicContact CD1-CD1 4.36Å; Y309-L356 HydrophobicContact CD2-CD1 4.05Å; Y309-L356 HydrophobicContact CG-CD1 3.94Å; I322-L356 HydrophobicContact CD1-CD2 4.29Å; I322-L356 HydrophobicContact CG2-CD1 3.85Å; I322-L356 HydrophobicContact CG2-CD2 4.3Å; F351-L356 HydrophobicContact CB-CD2 4.24Å; F351-L356 HydrophobicContact CB-CG 4.24Å; F351-L356 HydrophobicContact CD1-CD2 3.75Å; F351-L356 HydrophobicContact CD2-CD2 4.47Å; F351-L356 HydrophobicContact CE1-CD2 4.14Å; F351-L356 HydrophobicContact CG-CD2 3.93Å; F351-L356 HydrophobicContact CG-CG 4.46Å; G353-L356 WeakPolarHBondContact O-CB 3.43Å; G353-L356 PolarHBondContact O-N 3.03Å; T354-L356 PolarHBondContact O-N 3.27Å; L356-L359 HydrophobicContact CB-CD1 4.38Å; L356-L359 HydrophobicContact CD2-CD1 4.05Å; L356-L359 WeakPolarHBondContact O-CB 3.48Å; L356-L359 WeakPolarHBondContact O-CG 3.27Å; L356-L359 PolarHBondContact O-N 3.24Å; L356-V374 HydrophobicContact CB-CG1 4.41Å; L356-V374 VanDerWaalsContact O-CB 3.3Å; L356-V374 WeakPolarHBondContact O-CB 3.45Å; L356-V374 WeakPolarHBondContact O-CG1 3.48Å |
| 357 | L | 96.9 | Very high | 95.1 | Very high | 22 Ų | 22 | 38.4 Ų | 38.4 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 138.8 | -177.2 | -63.8 | 179.6 | 0 | 0 | 0 | 111.5 | V303 P305 G353 L359 V374 P376 Y416 L418 | V303-L357 HydrophobicContact CG2-CD2 3.46Å; V303-L357 VanDerWaalsContact CG2-CD2 3.46Å; V303-L357 HydrophobicContact CG2-CG 4.38Å; P305-L357 HydrophobicContact CB-CD1 4.2Å; P305-L357 HydrophobicContact CG-CD1 4.12Å; G353-L357 PolarHBondContact O-N 3.22Å; L357-L359 VanDerWaalsContact C-N 3.26Å; L357-L359 PolarHBondContact O-N 2.88Å; L357-V374 HydrophobicContact CD2-CG1 4.41Å; L357-P376 HydrophobicContact CD1-CB 4.05Å; L357-P376 HydrophobicContact CD2-CB 3.91Å; L357-P376 HydrophobicContact CD2-CG 4.49Å; L357-Y416 HydrophobicContact CD1-CD1 3.44Å; L357-Y416 VanDerWaalsContact CD1-CD1 3.44Å; L357-Y416 HydrophobicContact CD1-CE1 4.18Å; L357-Y416 HydrophobicContact CD1-CG 3.66Å; L357-L418 HydrophobicContact CB-CD2 4.4Å |
| 358 | G | 95.7 | Very high | 95 | Very high | 17 Ų | 17 | 37.8 Ų | 37.8 | 18% | 0.175 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -5.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | F373 V374 | G358-F373 WeakPolarHBondContact O-CD1 3.36Å; G358-V374 PolarHBondContact N-O 3.01Å |
| 359 | L | 96.7 | Very high | 94.7 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | trans | -60.5 | 138.7 | 170.8 | -70.4 | 175.4 | 0 | 0 | 0 | 110.3 | V265 S267 F269 L356 L357 F373 V374 | V265-L359 HydrophobicContact CG1-CD2 4.49Å; S267-L359 WeakPolarHBondContact OG-CD2 3.47Å; F269-L359 HydrophobicContact CD1-CD1 4Å; F269-L359 HydrophobicContact CD1-CD2 4.33Å; F269-L359 HydrophobicContact CE1-CD1 3.67Å; F269-L359 HydrophobicContact CZ-CD1 4.32Å; L356-L359 HydrophobicContact CB-CD1 4.38Å; L356-L359 HydrophobicContact CD2-CD1 4.05Å; L356-L359 WeakPolarHBondContact O-CB 3.48Å; L356-L359 WeakPolarHBondContact O-CG 3.27Å; L356-L359 PolarHBondContact O-N 3.24Å; L357-L359 VanDerWaalsContact C-N 3.26Å; L357-L359 PolarHBondContact O-N 2.88Å; L359-F373 WeakPolarHBondContact O-CA 3.41Å; L359-V374 HydrophobicContact CB-CB 4.49Å; L359-V374 HydrophobicContact CB-CG2 3.89Å; L359-V374 PolarHBondContact O-N 2.75Å | ||
| 360 | K | 97.8 | Very high | 94.5 | Very high | 52 Ų | 52 | 46 Ų | 46 | 23% | 0.226 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 127.9 | 173.3 | -157.4 | 179.8 | -165.4 | -167.1 | 0 | 109.4 | I266 S267 S370 G371 V372 F373 | I266-K360 HydrophobicContact CD1-CD 4.01Å; I266-K360 HydrophobicContact CD1-CG 4.05Å; I266-K360 HydrophobicContact CG1-CB 4.06Å; I266-K360 HydrophobicContact CG1-CD 4.36Å; I266-K360 HydrophobicContact CG1-CG 4.07Å; I266-K360 WeakPolarHBondContact CG1-O 3.5Å; I266-K360 PolarHBondContact N-O 2.81Å; S267-K360 PolarHBondContact N-O 3.19Å; S267-K360 PolarHBondContact OG-N 3.4Å; K360-S370 WeakPolarHBondContact CE-O 3.45Å; K360-S370 PolarHBondContact NZ-O 3.48Å; K360-S370 PolarHBondContact NZ-OG 3.37Å; K360-G371 WeakPolarHBondContact CE-O 3.13Å; K360-V372 CarbonylContact C-O 3.56Å; K360-V372 WeakPolarHBondContact CA-O 3.29Å; K360-V372 WeakPolarHBondContact CG-O 3.33Å; K360-F373 HydrophobicContact CB-CD1 3.97Å; K360-F373 HydrophobicContact CB-CE1 3.67Å; K360-F373 HydrophobicContact CB-CZ 4.38Å; K360-F373 HydrophobicContact CD-CE1 4.01Å; K360-F373 HydrophobicContact CD-CZ 3.86Å; K360-F373 HydrophobicContact CG-CD1 4.05Å; K360-F373 HydrophobicContact CG-CE1 3.64Å; K360-F373 HydrophobicContact CG-CE2 4.45Å; K360-F373 HydrophobicContact CG-CZ 3.87Å |
| 361 | V | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 141.1 | -179.7 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | L263 K264 V265 L285 G371 V372 V374 | L263-V361 HydrophobicContact CB-CB 4.04Å; L263-V361 HydrophobicContact CB-CG1 4.45Å; L263-V361 HydrophobicContact CB-CG2 4.1Å; K264-V361 CarbonylContact O-C 3.57Å; K264-V361 WeakPolarHBondContact O-CA 2.95Å; V265-V361 HydrophobicContact CG2-CG1 4.25Å; L285-V361 HydrophobicContact CD1-CG1 4.15Å; V361-G371 CarbonylContact O-C 3.59Å; V361-G371 VanDerWaalsContact O-CA 3.22Å; V361-G371 WeakPolarHBondContact O-CA 3.33Å; V361-V372 HydrophobicContact CG2-CG2 3.78Å; V361-V372 PolarHBondContact N-O 3.25Å; V361-V372 PolarHBondContact O-N 2.9Å; V361-V374 HydrophobicContact CG1-CG2 3.94Å |
| 362 | K | 97.1 | Very high | 94.4 | Very high | 117 Ų | 117 | 41 Ų | 41 | 51% | 0.509 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 115.6 | 168.1 | -171.6 | 174.9 | -176.6 | 176.3 | 0 | 108.6 | K264 I266 | K264-K362 HydrophobicContact CB-CB 4.29Å; K264-K362 PolarHBondContact N-O 2.87Å; K264-K362 PolarHBondContact O-N 2.98Å; I266-K362 HydrophobicContact CD1-CB 4.47Å; I266-K362 HydrophobicContact CG2-CB 4.12Å |
| 363 | A | 95.3 | Very high | 94.6 | Very high | 9 Ų | 9 | 38.1 Ų | 38.1 | 7% | 0.074 | 21% | 0.206 | C | C | . | . | trans | -95.7 | 124.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L263 Q298 S366 V372 | L263-A363 HydrophobicContact CD2-CB 3.64Å; Q298-A363 HydrophobicContact CB-CB 4.41Å; A363-S366 WeakPolarHBondContact O-CB 3.49Å; A363-S366 PolarHBondContact O-N 3.22Å; A363-V372 HydrophobicContact CB-CG2 3.99Å | ||
| 364 | P | 93.6 | Very high | 94.7 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 8% | 0.078 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 141.7 | 177.1 | -26.2 | 34.8 | 0 | 0 | 0 | 112.3 | I261 K262 Q298 S366 L498 D503 | I261-P364 HydrophobicContact CG2-CG 4.1Å; K262-P364 WeakPolarHBondContact O-CD 3.17Å; K262-P364 WeakPolarHBondContact O-CG 3.17Å; Q298-P364 PolarHBondContact NE2-O 3.43Å; P364-S366 PolarHBondContact O-N 3.02Å; P364-L498 HydrophobicContact CB-CD2 3.95Å; P364-D503 HydrophobicContact CB-CB 3.76Å; P364-D503 HydrophobicContact CG-CB 3.73Å |
| 365 | L | 92.6 | Very high | 94.8 | Very high | 46 Ų | 46 | 35.1 Ų | 35.1 | 24% | 0.241 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | -7.6 | -179 | -53 | 177.3 | 0 | 0 | 0 | 116.8 | M295 F296 I494 L498 | M295-L365 HydrophobicContact CB-CD1 4.33Å; F296-L365 HydrophobicContact CD1-CB 3.86Å; F296-L365 HydrophobicContact CE1-CB 3.89Å; F296-L365 HydrophobicContact CE1-CD1 4.08Å; F296-L365 HydrophobicContact CE1-CD2 3.92Å; F296-L365 HydrophobicContact CE1-CG 4.18Å; F296-L365 HydrophobicContact CE2-CD1 3.97Å; F296-L365 HydrophobicContact CG-CB 4.34Å; F296-L365 HydrophobicContact CZ-CB 4.39Å; F296-L365 HydrophobicContact CZ-CD1 3.73Å; F296-L365 HydrophobicContact CZ-CD2 4.16Å; F296-L365 HydrophobicContact CZ-CG 4.32Å; L365-I494 HydrophobicContact CD1-CG2 4.14Å; L365-L498 HydrophobicContact CD1-CD1 4.13Å; L365-L498 HydrophobicContact CD1-CD2 3.66Å; L365-L498 HydrophobicContact CD1-CG 3.96Å; L365-L498 HydrophobicContact CG-CD2 3.89Å |
| 366 | S | 91.8 | Very high | 94.9 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 8% | 0.084 | 18% | 0.181 | C | C | . | . | trans | -62.2 | 140.1 | 178.2 | 179.6 | 0 | 0 | 0 | 0 | 111 | Q298 A363 P364 Y368 | Q298-S366 PolarHBondContact O-OG 3.28Å; A363-S366 WeakPolarHBondContact O-CB 3.49Å; A363-S366 PolarHBondContact O-N 3.22Å; P364-S366 PolarHBondContact O-N 3.02Å; S366-Y368 PolarHBondContact O-N 3.11Å; S366-Y368 PolarHBondContact OG-N 2.78Å | ||
| 367 | S | 88.6 | Confident | 94.8 | Very high | 77 Ų | 77 | 34.1 Ų | 34.1 | 54% | 0.538 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -68.3 | -18.1 | 173.4 | -55.7 | 0 | 0 | 0 | 0 | 112.6 | E369 | S367-E369 VanDerWaalsContact C-N 3.32Å; S367-E369 PolarHBondContact O-N 2.84Å; S367-E369 VanDerWaalsContact O-N 3.07Å |
| 368 | Y | 92.8 | Very high | 94.4 | Very high | 58 Ų | 58 | 36.4 Ų | 36.4 | 23% | 0.227 | 19% | 0.194 | C | C | . | . | trans | -84 | 72.7 | 175.3 | -63.5 | -73.3 | 0 | 0 | 0 | 110.8 | T299 S366 S370 G371 V372 F426 E427 I429 | T299-Y368 HydrophobicContact CG2-CE2 4.16Å; S366-Y368 PolarHBondContact O-N 3.11Å; S366-Y368 PolarHBondContact OG-N 2.78Å; Y368-S370 PolarHBondContact O-N 3.04Å; Y368-G371 PolarHBondContact O-N 2.8Å; Y368-V372 HydrophobicContact CD2-CG1 4.18Å; Y368-V372 HydrophobicContact CG-CG1 4.32Å; Y368-F426 AromaticContact CD1-CD1 3.85Å; Y368-F426 HydrophobicContact CD1-CD1 3.85Å; Y368-F426 AromaticContact CD1-CE1 3.97Å; Y368-F426 HydrophobicContact CD1-CE1 3.97Å; Y368-F426 AromaticContact CD2-CD1 3.84Å; Y368-F426 HydrophobicContact CD2-CD1 3.84Å; Y368-F426 HydrophobicContact CD2-CE1 4.36Å; Y368-F426 AromaticContact CE1-CD1 3.93Å; Y368-F426 HydrophobicContact CE1-CD1 3.93Å; Y368-F426 HydrophobicContact CE1-CE1 4.45Å; Y368-F426 AromaticContact CE2-CD1 3.93Å; Y368-F426 HydrophobicContact CE2-CD1 3.93Å; Y368-F426 AromaticContact CG-CD1 3.81Å; Y368-F426 HydrophobicContact CG-CD1 3.81Å; Y368-F426 AromaticContact CG-CE1 3.93Å; Y368-F426 HydrophobicContact CG-CE1 3.93Å; Y368-F426 AromaticContact CZ-CD1 3.99Å; Y368-E427 PolarHBondContact OH-N 3.08Å; Y368-E427 PolarHBondContact OH-O 3.3Å; Y368-I429 HydrophobicContact CD2-CD1 3.95Å; Y368-I429 HydrophobicContact CE2-CD1 3.55Å; Y368-I429 HydrophobicContact CE2-CG1 4.09Å | ||
| 369 | E | 86.8 | Confident | 94.1 | Very high | 169 Ų | 169 | 39 Ų | 39 | 79% | 0.79 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -28.9 | -174.3 | -64 | -171.3 | 172.4 | 0 | 0 | 114.3 | S367 G371 | S367-E369 VanDerWaalsContact C-N 3.32Å; S367-E369 PolarHBondContact O-N 2.84Å; S367-E369 VanDerWaalsContact O-N 3.07Å; E369-G371 PolarHBondContact O-N 2.55Å |
| 370 | S | 90.4 | Very high | 93.9 | Very high | 82 Ų | 82 | 39.4 Ų | 39.4 | 57% | 0.573 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -10.6 | 177.3 | 85.4 | 0 | 0 | 0 | 0 | 113.8 | K360 Y368 | K360-S370 WeakPolarHBondContact CE-O 3.45Å; K360-S370 PolarHBondContact NZ-O 3.48Å; K360-S370 PolarHBondContact NZ-OG 3.37Å; Y368-S370 PolarHBondContact O-N 3.04Å |
| 371 | G | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | 101.7 | 157.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K360 V361 Y368 E369 | K360-G371 WeakPolarHBondContact CE-O 3.13Å; V361-G371 CarbonylContact O-C 3.59Å; V361-G371 VanDerWaalsContact O-CA 3.22Å; V361-G371 WeakPolarHBondContact O-CA 3.33Å; Y368-G371 PolarHBondContact O-N 2.8Å; E369-G371 PolarHBondContact O-N 2.55Å | ||
| 372 | V | 96.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 177.8 | 178 | -59.8 | 0 | 0 | 0 | 0 | 110.1 | T299 K360 V361 A363 Y368 F426 | T299-V372 VanDerWaalsContact O-CB 3.32Å; T299-V372 WeakPolarHBondContact O-CB 3.41Å; T299-V372 VanDerWaalsContact O-CG1 3.25Å; T299-V372 WeakPolarHBondContact O-CG1 3.42Å; K360-V372 CarbonylContact C-O 3.56Å; K360-V372 WeakPolarHBondContact CA-O 3.29Å; K360-V372 WeakPolarHBondContact CG-O 3.33Å; V361-V372 HydrophobicContact CG2-CG2 3.78Å; V361-V372 PolarHBondContact N-O 3.25Å; V361-V372 PolarHBondContact O-N 2.9Å; A363-V372 HydrophobicContact CB-CG2 3.99Å; Y368-V372 HydrophobicContact CD2-CG1 4.18Å; Y368-V372 HydrophobicContact CG-CG1 4.32Å; V372-F426 HydrophobicContact CB-CE1 4.35Å; V372-F426 HydrophobicContact CG1-CD1 4.22Å; V372-F426 HydrophobicContact CG1-CE1 3.96Å |
| 373 | F | 98.1 | Very high | 92.7 | Very high | 26 Ų | 26 | 45.9 Ų | 45.9 | 11% | 0.114 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 152.9 | -174.7 | -65.2 | -86.2 | 0 | 0 | 0 | 113.7 | N300 C301 G358 L359 K360 L375 M422 F426 | N300-F373 WeakPolarHBondContact CB-O 3.33Å; C301-F373 PolarHBondContact N-O 3.22Å; C301-F373 VanDerWaalsContact N-O 3.12Å; G358-F373 WeakPolarHBondContact O-CD1 3.36Å; L359-F373 WeakPolarHBondContact O-CA 3.41Å; K360-F373 HydrophobicContact CB-CD1 3.97Å; K360-F373 HydrophobicContact CB-CE1 3.67Å; K360-F373 HydrophobicContact CB-CZ 4.38Å; K360-F373 HydrophobicContact CD-CE1 4.01Å; K360-F373 HydrophobicContact CD-CZ 3.86Å; K360-F373 HydrophobicContact CG-CD1 4.05Å; K360-F373 HydrophobicContact CG-CE1 3.64Å; K360-F373 HydrophobicContact CG-CE2 4.45Å; K360-F373 HydrophobicContact CG-CZ 3.87Å; F373-L375 HydrophobicContact CB-CD2 4.32Å; F373-M422 HydrophobicContact CB-CB 4.2Å; F373-M422 HydrophobicContact CD1-CB 4.16Å; F373-M422 HydrophobicContact CD1-CE 4.47Å; F373-M422 HydrophobicContact CD1-CG 3.77Å; F373-M422 HydrophobicContact CD1-SD 4.32Å; F373-M422 HydrophobicContact CD2-CB 3.82Å; F373-M422 HydrophobicContact CD2-CG 4.11Å; F373-M422 HydrophobicContact CE1-CE 4.25Å; F373-M422 HydrophobicContact CE1-CG 3.78Å; F373-M422 HydrophobicContact CE2-CB 4.19Å; F373-M422 HydrophobicContact CE2-CG 4.12Å; F373-M422 HydrophobicContact CG-CB 3.79Å; F373-M422 HydrophobicContact CG-CG 3.93Å; F373-M422 HydrophobicContact CZ-CG 3.96Å; F373-F426 AromaticContact CD2-CE2 3.67Å; F373-F426 HydrophobicContact CD2-CE2 3.67Å; F373-F426 AromaticContact CD2-CZ 3.7Å; F373-F426 HydrophobicContact CD2-CZ 3.7Å; F373-F426 AromaticContact CE2-CE2 3.83Å; F373-F426 HydrophobicContact CE2-CE2 3.83Å; F373-F426 AromaticContact CE2-CZ 3.72Å; F373-F426 HydrophobicContact CE2-CZ 3.72Å |
| 374 | V | 98.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 119.7 | 171.1 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | L285 V303 L356 L357 G358 L359 V361 | L285-V374 HydrophobicContact CD2-CG1 4.31Å; L285-V374 HydrophobicContact CD2-CG2 3.81Å; V303-V374 HydrophobicContact CB-CG1 4.36Å; V303-V374 HydrophobicContact CG1-CG1 3.9Å; V303-V374 HydrophobicContact CG2-CG1 3.56Å; L356-V374 HydrophobicContact CB-CG1 4.41Å; L356-V374 VanDerWaalsContact O-CB 3.3Å; L356-V374 WeakPolarHBondContact O-CB 3.45Å; L356-V374 WeakPolarHBondContact O-CG1 3.48Å; L357-V374 HydrophobicContact CD2-CG1 4.41Å; G358-V374 PolarHBondContact N-O 3.01Å; L359-V374 HydrophobicContact CB-CB 4.49Å; L359-V374 HydrophobicContact CB-CG2 3.89Å; L359-V374 PolarHBondContact O-N 2.75Å; V361-V374 HydrophobicContact CG1-CG2 3.94Å |
| 375 | L | 98 | Very high | 92.4 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 159.8 | -174.9 | -60.2 | -175.1 | 0 | 0 | 0 | 111.7 | N300 C301 W302 V303 F373 L403 L406 L418 V423 | N300-L375 HydrophobicContact CB-CD1 3.69Å; N300-L375 HydrophobicContact CB-CG 4.07Å; C301-L375 PolarHBondContact O-N 2.98Å; W302-L375 WeakPolarHBondContact CA-O 3.32Å; W302-L375 HydrophobicContact CE3-CB 3.66Å; W302-L375 HydrophobicContact CH2-CB 4.31Å; W302-L375 HydrophobicContact CH2-CD1 4.37Å; W302-L375 HydrophobicContact CZ3-CB 3.38Å; W302-L375 HydrophobicContact CZ3-CD1 4.21Å; W302-L375 HydrophobicContact CZ3-CG 4.44Å; V303-L375 PolarHBondContact N-O 3.5Å; F373-L375 HydrophobicContact CB-CD2 4.32Å; L375-L403 HydrophobicContact CD1-CD1 4.13Å; L375-L406 HydrophobicContact CB-CD1 3.99Å; L375-L406 HydrophobicContact CD1-CD1 4.02Å; L375-L406 HydrophobicContact CG-CD1 4.46Å; L375-L418 HydrophobicContact CD2-CD1 4.06Å; L375-L418 HydrophobicContact CD2-CD2 4.14Å; L375-V423 HydrophobicContact CD1-CG2 4.23Å; L375-V423 HydrophobicContact CD2-CG2 3.92Å |
| 376 | P | 96.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 135.6 | -174.7 | 32.7 | -37 | 0 | 0 | 0 | 113.1 | W302 V303 P305 L357 M378 L406 Y416 L418 | W302-P376 WeakPolarHBondContact CZ3-O 3.47Å; V303-P376 WeakPolarHBondContact O-CA 3.33Å; P305-P376 HydrophobicContact CG-CB 3.65Å; L357-P376 HydrophobicContact CD1-CB 4.05Å; L357-P376 HydrophobicContact CD2-CB 3.91Å; L357-P376 HydrophobicContact CD2-CG 4.49Å; P376-M378 HydrophobicContact CB-CE 3.66Å; P376-L406 HydrophobicContact CG-CD1 4.29Å; P376-L406 HydrophobicContact CG-CD2 4.06Å; P376-Y416 HydrophobicContact CB-CD2 4.24Å; P376-Y416 HydrophobicContact CB-CE2 4.26Å; P376-Y416 HydrophobicContact CG-CD2 3.87Å; P376-Y416 HydrophobicContact CG-CE2 4.24Å; P376-Y416 HydrophobicContact CG-CG 4.45Å; P376-L418 HydrophobicContact CG-CD1 4.08Å |
| 377 | M | 93.5 | Very high | 92.7 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.039 | 26% | 0.259 | C | S | . | . | trans | -137.8 | 119.7 | 170.6 | -166.2 | -169.8 | -159.5 | 0 | 0 | 111.1 | W302 V303 S379 I380 D398 A402 | W302-M377 HydrophobicContact CB-CB 3.78Å; W302-M377 HydrophobicContact CB-SD 4.16Å; W302-M377 HydrophobicContact CD2-CB 3.94Å; W302-M377 HydrophobicContact CD2-CG 4.46Å; W302-M377 HydrophobicContact CD2-SD 4.33Å; W302-M377 HydrophobicContact CE3-CB 3.88Å; W302-M377 HydrophobicContact CG-CB 3.92Å; W302-M377 HydrophobicContact CG-CG 4.43Å; W302-M377 HydrophobicContact CG-SD 3.88Å; V303-M377 PolarHBondContact O-N 2.93Å; M377-S379 VanDerWaalsContact C-N 3.33Å; M377-S379 WeakPolarHBondContact CE-OG 3.41Å; M377-S379 PolarHBondContact O-N 3.46Å; M377-I380 HydrophobicContact CB-CD1 3.96Å; M377-I380 HydrophobicContact CB-CG1 4.27Å; M377-I380 HydrophobicContact CG-CG1 4.48Å; M377-I380 HydrophobicContact SD-CD1 4.2Å; M377-I380 HydrophobicContact SD-CG1 4.05Å; M377-D398 HydrophobicContact CE-CB 3.72Å; M377-A402 HydrophobicContact CE-CB 4.23Å; M377-A402 HydrophobicContact CG-CB 4.33Å | ||
| 378 | M | 89.9 | Confident | 93.2 | Very high | 70 Ų | 70 | 45.2 Ų | 45.2 | 35% | 0.345 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -11.7 | -171.2 | -51.4 | -57.6 | 117.5 | 0 | 0 | 114.1 | H304 P305 P376 F412 Y416 | H304-M378 PolarHBondContact CD2-O 2.82Å; H304-M378 PolarHBondContact NE2-O 3.4Å; P305-M378 VanDerWaalsContact CD-CE 3.48Å; P305-M378 HydrophobicContact CG-CE 3.47Å; P305-M378 VanDerWaalsContact CG-CE 3.47Å; P305-M378 HydrophobicContact CG-SD 4.18Å; P376-M378 HydrophobicContact CB-CE 3.66Å; M378-F412 HydrophobicContact CE-CZ 4.08Å; M378-Y416 HydrophobicContact CE-CE2 4.32Å |
| 379 | S | 88.1 | Confident | 93.4 | Very high | 71 Ų | 71 | 44.7 Ų | 44.7 | 50% | 0.497 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -12.9 | -177.9 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | M377 | M377-S379 VanDerWaalsContact C-N 3.33Å; M377-S379 WeakPolarHBondContact CE-OG 3.41Å; M377-S379 PolarHBondContact O-N 3.46Å |
| 380 | I | 93.2 | Very high | 93.9 | Very high | 16 Ų | 16 | 37 Ų | 37 | 8% | 0.082 | 20% | 0.2 | C | C | . | . | trans | -68.6 | 135.2 | 179.2 | -66.5 | 174.6 | 0 | 0 | 0 | 109.9 | W302 H304 I307 M377 G387 V389 | W302-I380 HydrophobicContact CB-CD1 3.47Å; W302-I380 VanDerWaalsContact CB-CD1 3.47Å; H304-I380 HydrophobicContact CB-CB 4.09Å; H304-I380 HydrophobicContact CB-CG2 4.32Å; H304-I380 PolarHBondContact CD2-O 3.07Å; H304-I380 VanDerWaalsContact CD2-O 3.26Å; I307-I380 HydrophobicContact CD1-CG2 4.46Å; M377-I380 HydrophobicContact CB-CD1 3.96Å; M377-I380 HydrophobicContact CB-CG1 4.27Å; M377-I380 HydrophobicContact CG-CG1 4.48Å; M377-I380 HydrophobicContact SD-CD1 4.2Å; M377-I380 HydrophobicContact SD-CG1 4.05Å; I380-G387 WeakPolarHBondContact CG2-O 3.4Å; I380-V389 HydrophobicContact CD1-CB 4.05Å; I380-V389 HydrophobicContact CD1-CG2 3.74Å; I380-V389 HydrophobicContact CG1-CG2 3.95Å | ||
| 381 | R | 91.7 | Very high | 94.2 | Very high | 179 Ų | 179 | 33 Ų | 33 | 68% | 0.675 | 17% | 0.173 | S | C | * | . | trans | -114.8 | 144.8 | 179.4 | -60 | -175.3 | -177.9 | -173.6 | 0.3 | 110.3 | S383 K384 | R381-S383 PolarHBondContact O-N 3.2Å; R381-K384 PolarHBondContact O-N 3.18Å | ||
| 382 | S | 89.1 | Confident | 94.3 | Very high | 61 Ų | 61 | 33.2 Ų | 33.2 | 43% | 0.427 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -18.7 | 173.2 | 53.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 383 | S | 86.5 | Confident | 94.3 | Very high | 65 Ų | 65 | 33.2 Ų | 33.2 | 46% | 0.455 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 2 | -177.6 | 70.2 | 0 | 0 | 0 | 0 | 114.5 | R326 R381 | R326-S383 VanDerWaalsContact CZ-O 3.27Å; R326-S383 PolarHBondContact NH1-O 2.91Å; R381-S383 PolarHBondContact O-N 3.2Å |
| 384 | K | 89.1 | Confident | 94.2 | Very high | 135 Ų | 135 | 32 Ų | 32 | 59% | 0.587 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -138.4 | 129.4 | -176.2 | -173.1 | 170.8 | -177 | 166.9 | 0 | 111.4 | Y258 R381 | Y258-K384 WeakPolarHBondContact OH-CE 3.33Å; R381-K384 PolarHBondContact O-N 3.18Å |
| 385 | G | 92.8 | Very high | 94 | Very high | 5 Ų | 5 | 32 Ų | 32 | 5% | 0.052 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | -145 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E509 | G385-E509 PolarHBondContact N-OE1 3.11Å; G385-E509 PolarHBondContact N-OE2 2.92Å |
| 386 | T | 96.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 1.2 | -177.3 | 55 | 0 | 0 | 0 | 0 | 114.2 | L260 V286 A288 C323 T324 A327 M331 V388 | L260-T386 HydrophobicContact CD1-CG2 4.25Å; L260-T386 HydrophobicContact CD2-CG2 3.6Å; V286-T386 HydrophobicContact CG2-CG2 4.14Å; V286-T386 WeakPolarHBondContact O-CB 3.45Å; V286-T386 WeakPolarHBondContact O-CG2 3.39Å; V286-T386 PolarHBondContact O-OG1 3.27Å; A288-T386 HydrophobicContact CB-CG2 4.25Å; A288-T386 PolarHBondContact N-OG1 3.35Å; C323-T386 WeakPolarHBondContact CA-O 3.42Å; C323-T386 HydrophobicContact CB-CG2 4.24Å; T324-T386 WeakPolarHBondContact CG2-O 3.02Å; T324-T386 PolarHBondContact N-O 2.81Å; A327-T386 HydrophobicContact CB-CG2 4Å; M331-T386 HydrophobicContact CE-CG2 3.63Å; T386-V388 PolarHBondContact O-N 3.25Å; T386-V388 PolarHBondContact OG1-N 2.92Å; T386-V388 PolarHBondContact OG1-O 3Å |
| 387 | G | 95.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 69.2 | 0.8 | -165.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y309 I380 | Y309-G387 VanDerWaalsContact CE1-O 3.28Å; Y309-G387 WeakPolarHBondContact CE1-O 3.3Å; Y309-G387 PolarHBondContact OH-O 3.3Å; I380-G387 WeakPolarHBondContact CG2-O 3.4Å |
| 388 | V | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132.4 | 172.6 | -173.9 | 0 | 0 | 0 | 0 | 107.5 | L285 A287 A288 V303 Y309 T386 | L285-V388 HydrophobicContact CB-CG1 4.09Å; L285-V388 HydrophobicContact CD2-CG1 4.29Å; A287-V388 VanDerWaalsContact CA-O 3.28Å; A287-V388 WeakPolarHBondContact CA-O 3.21Å; A287-V388 HydrophobicContact CB-CB 4.31Å; A287-V388 HydrophobicContact CB-CG1 3.79Å; A288-V388 PolarHBondContact N-O 3.29Å; A288-V388 VanDerWaalsContact N-O 3.1Å; V303-V388 HydrophobicContact CG1-CG1 4.32Å; V303-V388 HydrophobicContact CG1-CG2 4.19Å; Y309-V388 HydrophobicContact CD1-CG2 4.35Å; Y309-V388 HydrophobicContact CE1-CG2 3.95Å; T386-V388 PolarHBondContact O-N 3.25Å; T386-V388 PolarHBondContact OG1-N 2.92Å; T386-V388 PolarHBondContact OG1-O 3Å |
| 389 | V | 97.1 | Very high | 94 | Very high | 47 Ų | 47 | 30.5 Ų | 30.5 | 29% | 0.285 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 136.4 | -176.1 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | C301 W302 I380 | C301-V389 CarbonylContact C-O 3.52Å; C301-V389 WeakPolarHBondContact CA-O 3.3Å; C301-V389 WeakPolarHBondContact CB-O 3.15Å; W302-V389 HydrophobicContact CB-CB 4.27Å; W302-V389 PolarHBondContact N-O 2.72Å; W302-V389 PolarHBondContact O-N 2.92Å; I380-V389 HydrophobicContact CD1-CB 4.05Å; I380-V389 HydrophobicContact CD1-CG2 3.74Å; I380-V389 HydrophobicContact CG1-CG2 3.95Å |
| 390 | T | 96.6 | Very high | 94.4 | Very high | 6 Ų | 6 | 28.7 Ų | 28.7 | 4% | 0.037 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 137.3 | 172.2 | 52.4 | 0 | 0 | 0 | 0 | 109.9 | I261 A287 M295 | I261-T390 HydrophobicContact CB-CG2 4.03Å; I261-T390 HydrophobicContact CG1-CG2 4.08Å; I261-T390 HydrophobicContact CG2-CG2 4.39Å; A287-T390 HydrophobicContact CB-CG2 3.46Å; A287-T390 VanDerWaalsContact CB-CG2 3.46Å; M295-T390 HydrophobicContact CE-CG2 4.41Å; M295-T390 HydrophobicContact SD-CG2 3.75Å |
| 391 | S | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 120.2 | 176.8 | -175.3 | 0 | 0 | 0 | 0 | 110.7 | Q298 T299 N300 W302 D399 | Q298-S391 VanDerWaalsContact CA-O 3.27Å; Q298-S391 WeakPolarHBondContact CA-O 3.44Å; T299-S391 PolarHBondContact N-O 3.39Å; N300-S391 VanDerWaalsContact ND2-CB 3.27Å; N300-S391 WeakPolarHBondContact ND2-CB 3.4Å; N300-S391 PolarHBondContact ND2-OG 3.28Å; N300-S391 WeakPolarHBondContact O-CB 3.49Å; N300-S391 PolarHBondContact O-N 3.41Å; N300-S391 WeakPolarHBondContact OD1-CB 3.45Å; N300-S391 PolarHBondContact OD1-OG 3.13Å; W302-S391 WeakPolarHBondContact CZ2-OG 3.47Å; W302-S391 PolarHBondContact NE1-OG 3.19Å; W302-S391 VanDerWaalsContact NE1-OG 3.12Å; S391-D399 WeakPolarHBondContact CA-OD2 3.42Å |
| 392 | V | 97.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.024 | 11% | 0.111 | C | C | . | . | trans | -127.1 | 78.1 | 173.3 | -170.8 | 0 | 0 | 0 | 0 | 110.1 | M295 Q298 S394 D395 S396 D399 I431 | M295-V392 HydrophobicContact CE-CG2 3.96Å; Q298-V392 HydrophobicContact CG-CG2 4.13Å; V392-S394 WeakPolarHBondContact CG1-OG 3.36Å; V392-S394 PolarHBondContact O-N 3.25Å; V392-D395 HydrophobicContact CG1-CB 4.39Å; V392-D395 PolarHBondContact O-N 2.86Å; V392-S396 WeakPolarHBondContact O-CB 3.32Å; V392-S396 PolarHBondContact O-N 3.36Å; V392-D399 PolarHBondContact N-OD2 2.92Å; V392-I431 HydrophobicContact CG1-CD1 3.79Å | ||
| 393 | P | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -15.3 | -173.1 | -26.3 | 36.2 | 0 | 0 | 0 | 116.1 | T299 D395 D399 W400 L403 P428 A442 | T299-P393 HydrophobicContact CG2-CG 3.97Å; T299-P393 WeakPolarHBondContact OG1-CD 3.4Å; T299-P393 WeakPolarHBondContact OG1-CG 3.08Å; P393-D395 VanDerWaalsContact C-N 3.35Å; P393-D399 HydrophobicContact CG-CB 4.25Å; P393-W400 HydrophobicContact CB-CB 4.25Å; P393-W400 HydrophobicContact CB-CE3 4.11Å; P393-L403 HydrophobicContact CB-CD2 4.29Å; P393-L403 HydrophobicContact CG-CD2 3.64Å; P393-P428 HydrophobicContact CB-CB 4.15Å; P393-P428 HydrophobicContact CB-CG 3.99Å; P393-A442 WeakPolarHBondContact O-CB 3.35Å |
| 394 | S | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -34.5 | 173.9 | 55.1 | 0 | 0 | 0 | 0 | 112 | V392 I429 L440 P441 A442 | V392-S394 WeakPolarHBondContact CG1-OG 3.36Å; V392-S394 PolarHBondContact O-N 3.25Å; S394-I429 WeakPolarHBondContact CB-O 3.46Å; S394-I429 PolarHBondContact OG-O 2.99Å; S394-I429 VanDerWaalsContact OG-O 3.13Å; S394-L440 CarbonylContact O-C 3.59Å; S394-P441 WeakPolarHBondContact O-CD 3.35Å; S394-P441 WeakPolarHBondContact O-CG 3.37Å; S394-A442 VanDerWaalsContact O-CB 3.25Å; S394-A442 WeakPolarHBondContact O-CB 3.17Å; S394-A442 PolarHBondContact O-N 2.95Å |
| 395 | D | 95.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 9.4 Ų | 9.4 | 1% | 0.005 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | -0.5 | -166.3 | -71.1 | -93.6 | 0 | 0 | 0 | 114 | R291 T294 V392 P393 I431 V467 Y468 | R291-D395 PolarHBondContact NH1-O 3.47Å; T294-D395 HydrophobicContact CG2-CB 4.48Å; V392-D395 HydrophobicContact CG1-CB 4.39Å; V392-D395 PolarHBondContact O-N 2.86Å; P393-D395 VanDerWaalsContact C-N 3.35Å; D395-I431 WeakPolarHBondContact OD2-CD1 3.34Å; D395-I431 WeakPolarHBondContact OD2-CG1 3.42Å; D395-V467 VanDerWaalsContact O-CG1 3.24Å; D395-V467 WeakPolarHBondContact O-CG1 3.36Å; D395-Y468 WeakPolarHBondContact O-CE1 3.42Å |
| 396 | S | 95.4 | Very high | 94.9 | Very high | 7 Ų | 7 | 9.2 Ų | 9.2 | 5% | 0.049 | 5% | 0.049 | C | C | . | . | trans | -125.7 | 108.2 | 177.6 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | V392 D398 D399 W400 | V392-S396 WeakPolarHBondContact O-CB 3.32Å; V392-S396 PolarHBondContact O-N 3.36Å; S396-D398 VanDerWaalsContact C-N 3.26Å; S396-D398 PolarHBondContact O-N 3.5Å; S396-D399 WeakPolarHBondContact CB-OD2 3.31Å; S396-D399 PolarHBondContact O-N 3.21Å; S396-D399 PolarHBondContact OG-N 3.28Å; S396-D399 PolarHBondContact OG-OD2 3.45Å; S396-W400 PolarHBondContact O-N 3.42Å | ||
| 397 | P | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -57.2 | -37.9 | 176.6 | -28.8 | 37.4 | 0 | 0 | 0 | 113.4 | D399 W400 V401 A442 I445 V446 L460 A463 V467 | P397-D399 VanDerWaalsContact C-N 3.35Å; P397-D399 PolarHBondContact O-N 3.44Å; P397-W400 PolarHBondContact O-N 2.91Å; P397-V401 WeakPolarHBondContact O-CG2 3.43Å; P397-V401 PolarHBondContact O-N 3.3Å; P397-A442 HydrophobicContact CG-CB 4.19Å; P397-I445 HydrophobicContact CG-CG2 4.08Å; P397-V446 HydrophobicContact CB-CG2 4.07Å; P397-L460 HydrophobicContact CB-CD2 4.36Å; P397-A463 HydrophobicContact CB-CB 3.96Å; P397-A463 HydrophobicContact CG-CB 3.95Å; P397-V467 HydrophobicContact CG-CB 4.32Å; P397-V467 HydrophobicContact CG-CG2 3.95Å |
| 398 | D | 92.4 | Very high | 94.4 | Very high | 33 Ų | 33 | 18.5 Ų | 18.5 | 18% | 0.176 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62 | -43.5 | 177.8 | -68.6 | -33.1 | 0 | 0 | 0 | 111.2 | M377 S396 A402 K464 | M377-D398 HydrophobicContact CE-CB 3.72Å; S396-D398 VanDerWaalsContact C-N 3.26Å; S396-D398 PolarHBondContact O-N 3.5Å; D398-A402 VanDerWaalsContact O-CB 3.28Å; D398-A402 WeakPolarHBondContact O-CB 3.41Å; D398-A402 PolarHBondContact O-N 3.35Å; D398-K464 IonicContact OD2-NZ 3.33Å; D398-K464 PolarHBondContact OD2-NZ 2.97Å |
| 399 | D | 95.1 | Very high | 94 | Very high | 9 Ų | 9 | 23 Ų | 23 | 5% | 0.048 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.8 | -42.5 | 179.9 | -65.6 | -22.8 | 0 | 0 | 0 | 111.5 | W302 S391 V392 P393 S396 P397 A402 L403 | W302-D399 VanDerWaalsContact CD1-OD1 3.32Å; W302-D399 PolarHBondContact NE1-OD1 2.73Å; S391-D399 WeakPolarHBondContact CA-OD2 3.42Å; V392-D399 PolarHBondContact N-OD2 2.92Å; P393-D399 HydrophobicContact CG-CB 4.25Å; S396-D399 WeakPolarHBondContact CB-OD2 3.31Å; S396-D399 PolarHBondContact O-N 3.21Å; S396-D399 PolarHBondContact OG-N 3.28Å; S396-D399 PolarHBondContact OG-OD2 3.45Å; P397-D399 VanDerWaalsContact C-N 3.35Å; P397-D399 PolarHBondContact O-N 3.44Å; D399-A402 PolarHBondContact O-N 2.99Å; D399-L403 VanDerWaalsContact O-CB 3.26Å; D399-L403 WeakPolarHBondContact O-CB 3.36Å; D399-L403 PolarHBondContact O-N 3.47Å |
| 400 | W | 94.9 | Very high | 93.7 | Very high | 32 Ų | 32 | 24.1 Ų | 24.1 | 12% | 0.121 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.1 | -48.2 | 177.6 | 175.2 | -129.1 | 0 | 0 | 0 | 112 | P393 S396 P397 L403 Q404 P428 A442 V443 | P393-W400 HydrophobicContact CB-CB 4.25Å; P393-W400 HydrophobicContact CB-CE3 4.11Å; S396-W400 PolarHBondContact O-N 3.42Å; P397-W400 PolarHBondContact O-N 2.91Å; W400-L403 PolarHBondContact O-N 3.02Å; W400-Q404 HydrophobicContact CD2-CG 3.65Å; W400-Q404 VanDerWaalsContact CE2-CG 3.48Å; W400-Q404 HydrophobicContact CE3-CG 3.79Å; W400-Q404 HydrophobicContact CG-CG 4.42Å; W400-Q404 VanDerWaalsContact CH2-CD 3.49Å; W400-Q404 HydrophobicContact CH2-CG 3.76Å; W400-Q404 HydrophobicContact CZ2-CG 3.54Å; W400-Q404 HydrophobicContact CZ3-CG 3.84Å; W400-Q404 VanDerWaalsContact O-CB 3.28Å; W400-Q404 WeakPolarHBondContact O-CB 3.34Å; W400-Q404 VanDerWaalsContact O-CG 3.25Å; W400-Q404 WeakPolarHBondContact O-CG 3.46Å; W400-Q404 PolarHBondContact O-N 3.05Å; W400-P428 HydrophobicContact CE3-CG 3.66Å; W400-P428 HydrophobicContact CH2-CG 4.14Å; W400-P428 HydrophobicContact CZ3-CG 3.34Å; W400-A442 HydrophobicContact CB-CB 4.49Å; W400-V443 HydrophobicContact CD2-CG2 3.88Å; W400-V443 HydrophobicContact CE3-CG2 4.27Å; W400-V443 HydrophobicContact CG-CG2 4.21Å; W400-V443 HydrophobicContact CH2-CG2 4.39Å; W400-V443 HydrophobicContact CZ2-CG1 3.84Å; W400-V443 HydrophobicContact CZ2-CG2 4.08Å |
| 401 | V | 92.9 | Very high | 93.4 | Very high | 7 Ų | 7 | 27.6 Ų | 27.6 | 4% | 0.042 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.9 | -39.4 | -178.8 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | P397 Q404 D405 V446 I451 S453 Q454 L460 | P397-V401 WeakPolarHBondContact O-CG2 3.43Å; P397-V401 PolarHBondContact O-N 3.3Å; V401-Q404 PolarHBondContact O-N 3.2Å; V401-D405 PolarHBondContact O-N 2.91Å; V401-V446 HydrophobicContact CG2-CG1 3.91Å; V401-V446 HydrophobicContact CG2-CG2 3.78Å; V401-I451 HydrophobicContact CG1-CG2 4.45Å; V401-I451 HydrophobicContact CG2-CG2 3.9Å; V401-S453 VanDerWaalsContact CG1-C 3.4Å; V401-Q454 HydrophobicContact CG1-CG 3.94Å; V401-L460 HydrophobicContact CB-CD2 4.33Å; V401-L460 HydrophobicContact CG2-CD2 3.92Å |
| 402 | A | 92.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.1 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | W302 M377 D398 D399 D405 L406 Q454 | W302-A402 HydrophobicContact CH2-CB 3.85Å; W302-A402 HydrophobicContact CZ2-CB 3.8Å; W302-A402 HydrophobicContact CZ3-CB 4.39Å; M377-A402 HydrophobicContact CE-CB 4.23Å; M377-A402 HydrophobicContact CG-CB 4.33Å; D398-A402 VanDerWaalsContact O-CB 3.28Å; D398-A402 WeakPolarHBondContact O-CB 3.41Å; D398-A402 PolarHBondContact O-N 3.35Å; D399-A402 PolarHBondContact O-N 2.99Å; A402-D405 PolarHBondContact O-N 3.37Å; A402-L406 PolarHBondContact O-N 2.87Å; A402-Q454 HydrophobicContact CB-CG 4.41Å |
| 403 | L | 93.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67 | -42.1 | 176.1 | -175.5 | 61 | 0 | 0 | 0 | 111.5 | W302 L375 P393 D399 W400 D405 L406 I407 V423 | W302-L403 HydrophobicContact CH2-CB 4.12Å; W302-L403 HydrophobicContact CH2-CD1 4.48Å; W302-L403 HydrophobicContact CZ2-CB 4.2Å; L375-L403 HydrophobicContact CD1-CD1 4.13Å; P393-L403 HydrophobicContact CB-CD2 4.29Å; P393-L403 HydrophobicContact CG-CD2 3.64Å; D399-L403 VanDerWaalsContact O-CB 3.26Å; D399-L403 WeakPolarHBondContact O-CB 3.36Å; D399-L403 PolarHBondContact O-N 3.47Å; W400-L403 PolarHBondContact O-N 3.02Å; L403-D405 VanDerWaalsContact C-N 3.35Å; L403-D405 PolarHBondContact O-N 3.16Å; L403-L406 WeakPolarHBondContact O-CB 3.41Å; L403-L406 PolarHBondContact O-N 3.36Å; L403-L406 VanDerWaalsContact O-N 3.15Å; L403-I407 HydrophobicContact CD1-CD1 4.49Å; L403-I407 HydrophobicContact CG-CD1 3.98Å; L403-I407 WeakPolarHBondContact O-CG1 3.33Å; L403-I407 PolarHBondContact O-N 2.79Å; L403-V423 HydrophobicContact CD1-CG1 3.97Å |
| 404 | Q | 91.9 | Very high | 92.6 | Very high | 31 Ų | 31 | 34.7 Ų | 34.7 | 15% | 0.145 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.7 | -39.9 | 175.8 | -80.6 | -66.4 | -55.1 | 0 | 0 | 112.9 | W400 V401 L406 I407 K408 | W400-Q404 HydrophobicContact CD2-CG 3.65Å; W400-Q404 VanDerWaalsContact CE2-CG 3.48Å; W400-Q404 HydrophobicContact CE3-CG 3.79Å; W400-Q404 HydrophobicContact CG-CG 4.42Å; W400-Q404 VanDerWaalsContact CH2-CD 3.49Å; W400-Q404 HydrophobicContact CH2-CG 3.76Å; W400-Q404 HydrophobicContact CZ2-CG 3.54Å; W400-Q404 HydrophobicContact CZ3-CG 3.84Å; W400-Q404 VanDerWaalsContact O-CB 3.28Å; W400-Q404 WeakPolarHBondContact O-CB 3.34Å; W400-Q404 VanDerWaalsContact O-CG 3.25Å; W400-Q404 WeakPolarHBondContact O-CG 3.46Å; W400-Q404 PolarHBondContact O-N 3.05Å; V401-Q404 PolarHBondContact O-N 3.2Å; Q404-L406 VanDerWaalsContact C-N 3.29Å; Q404-L406 PolarHBondContact O-N 3.46Å; Q404-I407 PolarHBondContact O-N 3.37Å; Q404-K408 WeakPolarHBondContact O-CB 3.5Å; Q404-K408 WeakPolarHBondContact O-CG 3.5Å; Q404-K408 PolarHBondContact O-N 3.05Å |
| 405 | D | 89.9 | Confident | 92.4 | Very high | 14 Ų | 14 | 41.3 Ų | 41.3 | 8% | 0.075 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.9 | -44.7 | 173.5 | -91.1 | -28.5 | 0 | 0 | 0 | 111 | V401 A402 L403 K409 Q454 | V401-D405 PolarHBondContact O-N 2.91Å; A402-D405 PolarHBondContact O-N 3.37Å; L403-D405 VanDerWaalsContact C-N 3.35Å; L403-D405 PolarHBondContact O-N 3.16Å; D405-K409 VanDerWaalsContact O-CB 3.24Å; D405-K409 WeakPolarHBondContact O-CB 3Å; D405-K409 WeakPolarHBondContact O-CG 3.42Å; D405-K409 PolarHBondContact O-N 3.18Å; D405-K409 IonicContact OD1-NZ 2.91Å; D405-K409 PolarHBondContact OD1-NZ 2.95Å; D405-Q454 WeakPolarHBondContact OD2-CG 3.37Å; D405-Q454 PolarHBondContact OD2-NE2 3.13Å |
| 406 | L | 91.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.3 | -36.9 | 176.5 | -76.1 | 166.9 | 0 | 0 | 0 | 112.6 | W302 L375 P376 A402 L403 Q404 F412 R413 L418 V423 | W302-L406 HydrophobicContact CH2-CD1 4.03Å; W302-L406 HydrophobicContact CZ3-CD1 3.67Å; L375-L406 HydrophobicContact CB-CD1 3.99Å; L375-L406 HydrophobicContact CD1-CD1 4.02Å; L375-L406 HydrophobicContact CG-CD1 4.46Å; P376-L406 HydrophobicContact CG-CD1 4.29Å; P376-L406 HydrophobicContact CG-CD2 4.06Å; A402-L406 PolarHBondContact O-N 2.87Å; L403-L406 WeakPolarHBondContact O-CB 3.41Å; L403-L406 PolarHBondContact O-N 3.36Å; L403-L406 VanDerWaalsContact O-N 3.15Å; Q404-L406 VanDerWaalsContact C-N 3.29Å; Q404-L406 PolarHBondContact O-N 3.46Å; L406-F412 HydrophobicContact CD2-CD1 3.4Å; L406-F412 VanDerWaalsContact CD2-CD1 3.4Å; L406-F412 HydrophobicContact CD2-CE1 3.7Å; L406-F412 HydrophobicContact CD2-CG 4.16Å; L406-F412 HydrophobicContact CG-CD1 3.91Å; L406-F412 HydrophobicContact CG-CE1 3.98Å; L406-R413 HydrophobicContact CD2-CG 4.2Å; L406-R413 WeakPolarHBondContact O-CD 3.34Å; L406-R413 WeakPolarHBondContact O-CG 3.4Å; L406-R413 PolarHBondContact O-NH1 2.91Å; L406-L418 HydrophobicContact CD2-CD1 4.14Å; L406-V423 HydrophobicContact CB-CG1 3.81Å |
| 407 | I | 91.8 | Very high | 92.1 | Very high | 50 Ų | 50 | 48.9 Ų | 48.9 | 26% | 0.256 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.8 | -47 | 177.3 | -68.9 | 166.3 | 0 | 0 | 0 | 110.8 | L403 Q404 R413 V423 | L403-I407 HydrophobicContact CD1-CD1 4.49Å; L403-I407 HydrophobicContact CG-CD1 3.98Å; L403-I407 WeakPolarHBondContact O-CG1 3.33Å; L403-I407 PolarHBondContact O-N 2.79Å; Q404-I407 PolarHBondContact O-N 3.37Å; I407-R413 PolarHBondContact O-NH1 2.7Å; I407-V423 HydrophobicContact CG1-CG1 3.81Å |
| 408 | K | 90.3 | Very high | 92.1 | Very high | 148 Ų | 148 | 49.3 Ų | 49.3 | 64% | 0.643 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -79.1 | -21.3 | -173.1 | -70.9 | 172.2 | 174.5 | 157.7 | 0 | 114.2 | Q404 P410 | Q404-K408 WeakPolarHBondContact O-CB 3.5Å; Q404-K408 WeakPolarHBondContact O-CG 3.5Å; Q404-K408 PolarHBondContact O-N 3.05Å; K408-P410 VanDerWaalsContact O-CD 3.27Å; K408-P410 WeakPolarHBondContact O-CD 3.39Å |
| 409 | K | 90.7 | Very high | 92.1 | Very high | 94 Ų | 94 | 52.7 Ų | 52.7 | 41% | 0.409 | 27% | 0.274 | S | S | . | . | trans | -116.2 | 87.3 | -174.4 | -61.1 | 167.7 | 177.9 | 160.3 | 0 | 111.6 | D405 A411 F412 R413 | D405-K409 VanDerWaalsContact O-CB 3.24Å; D405-K409 WeakPolarHBondContact O-CB 3Å; D405-K409 WeakPolarHBondContact O-CG 3.42Å; D405-K409 PolarHBondContact O-N 3.18Å; D405-K409 IonicContact OD1-NZ 2.91Å; D405-K409 PolarHBondContact OD1-NZ 2.95Å; K409-A411 PolarHBondContact O-N 3.45Å; K409-F412 HydrophobicContact CB-CB 3.85Å; K409-F412 WeakPolarHBondContact O-CB 3.5Å; K409-F412 PolarHBondContact O-N 2.97Å; K409-R413 PolarHBondContact O-N 2.72Å | ||
| 410 | P | 90.7 | Very high | 92 | Very high | 71 Ų | 71 | 56.2 Ų | 56.2 | 46% | 0.461 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -52 | -40.3 | 175.5 | -26.7 | 32.9 | 0 | 0 | 0 | 113.8 | K408 F412 R413 T414 | K408-P410 VanDerWaalsContact O-CD 3.27Å; K408-P410 WeakPolarHBondContact O-CD 3.39Å; P410-F412 PolarHBondContact O-N 3.06Å; P410-R413 WeakPolarHBondContact O-CB 3.45Å; P410-R413 PolarHBondContact O-N 3.03Å; P410-T414 PolarHBondContact O-N 2.96Å; P410-T414 PolarHBondContact O-OG1 3.1Å; P410-T414 VanDerWaalsContact O-OG1 3.09Å |
| 411 | A | 90 | Very high | 91.9 | Very high | 79 Ų | 79 | 58.3 Ų | 58.3 | 65% | 0.653 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59 | -31.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K409 K415 | K409-A411 PolarHBondContact O-N 3.45Å; A411-K415 PolarHBondContact O-N 3.27Å |
| 412 | F | 89.5 | Confident | 92 | Very high | 41 Ų | 41 | 59.4 Ų | 59.4 | 18% | 0.18 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71.6 | -35.2 | 177.3 | -168 | -141.5 | 0 | 0 | 0 | 111.6 | M378 L406 K409 P410 Y416 | M378-F412 HydrophobicContact CE-CZ 4.08Å; L406-F412 HydrophobicContact CD2-CD1 3.4Å; L406-F412 VanDerWaalsContact CD2-CD1 3.4Å; L406-F412 HydrophobicContact CD2-CE1 3.7Å; L406-F412 HydrophobicContact CD2-CG 4.16Å; L406-F412 HydrophobicContact CG-CD1 3.91Å; L406-F412 HydrophobicContact CG-CE1 3.98Å; K409-F412 HydrophobicContact CB-CB 3.85Å; K409-F412 WeakPolarHBondContact O-CB 3.5Å; K409-F412 PolarHBondContact O-N 2.97Å; P410-F412 PolarHBondContact O-N 3.06Å; F412-Y416 HydrophobicContact CD2-CD2 4.44Å; F412-Y416 HydrophobicContact CD2-CE2 4.06Å; F412-Y416 HydrophobicContact CE2-CD2 4.29Å; F412-Y416 AromaticContact CE2-CE2 3.58Å; F412-Y416 HydrophobicContact CE2-CE2 3.58Å; F412-Y416 HydrophobicContact CZ-CE2 4.26Å |
| 413 | R | 93.2 | Very high | 92 | Very high | 10 Ų | 10 | 59.4 Ų | 59.4 | 4% | 0.038 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.7 | -46.1 | 171.8 | -59.8 | -169.2 | -62.9 | -91.7 | 11.9 | 111.4 | L406 I407 K409 P410 K415 Y416 N417 L418 D420 | L406-R413 HydrophobicContact CD2-CG 4.2Å; L406-R413 WeakPolarHBondContact O-CD 3.34Å; L406-R413 WeakPolarHBondContact O-CG 3.4Å; L406-R413 PolarHBondContact O-NH1 2.91Å; I407-R413 PolarHBondContact O-NH1 2.7Å; K409-R413 PolarHBondContact O-N 2.72Å; P410-R413 WeakPolarHBondContact O-CB 3.45Å; P410-R413 PolarHBondContact O-N 3.03Å; R413-K415 VanDerWaalsContact C-N 3.29Å; R413-K415 PolarHBondContact O-N 2.78Å; R413-Y416 CarbonylContact O-C 3.57Å; R413-Y416 PolarHBondContact O-N 2.71Å; R413-Y416 VanDerWaalsContact O-N 3.15Å; R413-N417 PolarHBondContact O-N 3.5Å; R413-N417 VanDerWaalsContact O-N 3.16Å; R413-L418 HydrophobicContact CB-CB 4.1Å; R413-L418 PolarHBondContact O-N 3.28Å; R413-D420 IonicContact CZ-OD1 2.85Å; R413-D420 IonicContact NE-OD1 3.41Å; R413-D420 PolarHBondContact NE-OD1 2.86Å; R413-D420 IonicContact NH2-OD1 3.9Å; R413-D420 PolarHBondContact NH2-OD1 3.12Å; R413-D420 IonicContact NH2-OD2 3.24Å |
| 414 | T | 91.1 | Very high | 92 | Very high | 101 Ų | 101 | 63.1 Ų | 63.1 | 62% | 0.62 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -58.7 | -39.5 | 177.6 | -49.9 | 0 | 0 | 0 | 0 | 112.1 | P410 Y416 N417 | P410-T414 PolarHBondContact O-N 2.96Å; P410-T414 PolarHBondContact O-OG1 3.1Å; P410-T414 VanDerWaalsContact O-OG1 3.09Å; T414-Y416 PolarHBondContact O-N 3.23Å; T414-Y416 VanDerWaalsContact O-N 3.15Å; T414-N417 PolarHBondContact O-N 3.33Å; T414-N417 VanDerWaalsContact O-N 3.13Å |
| 415 | K | 92.1 | Very high | 92 | Very high | 139 Ų | 139 | 65.4 Ų | 65.4 | 60% | 0.604 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -53.4 | -35.9 | 177.6 | -176.5 | -175.4 | 176.7 | -164 | 0 | 113.1 | A411 R413 | A411-K415 PolarHBondContact O-N 3.27Å; R413-K415 VanDerWaalsContact C-N 3.29Å; R413-K415 PolarHBondContact O-N 2.78Å |
| 416 | Y | 92.4 | Very high | 92.2 | Very high | 23 Ų | 23 | 65.5 Ų | 65.5 | 9% | 0.09 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 17.5 | -177.3 | -63.2 | -69.1 | 0 | 0 | 0 | 113.2 | P305 T354 L357 P376 M378 F412 R413 T414 L418 | P305-Y416 HydrophobicContact CB-CD1 4.34Å; P305-Y416 HydrophobicContact CB-CE1 3.6Å; P305-Y416 HydrophobicContact CG-CD1 4.42Å; P305-Y416 HydrophobicContact CG-CE1 3.7Å; P305-Y416 HydrophobicContact CG-CE2 4.48Å; T354-Y416 HydrophobicContact CG2-CD1 4.36Å; T354-Y416 HydrophobicContact CG2-CE1 4.26Å; L357-Y416 HydrophobicContact CD1-CD1 3.44Å; L357-Y416 VanDerWaalsContact CD1-CD1 3.44Å; L357-Y416 HydrophobicContact CD1-CE1 4.18Å; L357-Y416 HydrophobicContact CD1-CG 3.66Å; P376-Y416 HydrophobicContact CB-CD2 4.24Å; P376-Y416 HydrophobicContact CB-CE2 4.26Å; P376-Y416 HydrophobicContact CG-CD2 3.87Å; P376-Y416 HydrophobicContact CG-CE2 4.24Å; P376-Y416 HydrophobicContact CG-CG 4.45Å; M378-Y416 HydrophobicContact CE-CE2 4.32Å; F412-Y416 HydrophobicContact CD2-CD2 4.44Å; F412-Y416 HydrophobicContact CD2-CE2 4.06Å; F412-Y416 HydrophobicContact CE2-CD2 4.29Å; F412-Y416 AromaticContact CE2-CE2 3.58Å; F412-Y416 HydrophobicContact CE2-CE2 3.58Å; F412-Y416 HydrophobicContact CZ-CE2 4.26Å; R413-Y416 CarbonylContact O-C 3.57Å; R413-Y416 PolarHBondContact O-N 2.71Å; R413-Y416 VanDerWaalsContact O-N 3.15Å; T414-Y416 PolarHBondContact O-N 3.23Å; T414-Y416 VanDerWaalsContact O-N 3.15Å; Y416-L418 PolarHBondContact O-N 3.18Å |
| 417 | N | 91.5 | Very high | 92.2 | Very high | 144 Ų | 144 | 72.2 Ų | 72.2 | 77% | 0.77 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 35 | 180 | -55.6 | -52.6 | 0 | 0 | 0 | 114.2 | R413 T414 | R413-N417 PolarHBondContact O-N 3.5Å; R413-N417 VanDerWaalsContact O-N 3.16Å; T414-N417 PolarHBondContact O-N 3.33Å; T414-N417 VanDerWaalsContact O-N 3.13Å |
| 418 | L | 94.7 | Very high | 92.3 | Very high | 10 Ų | 10 | 71 Ų | 71 | 5% | 0.052 | 38% | 0.38 | C | S | . | . | trans | -89.1 | 132 | 178.8 | -59.8 | 170.8 | 0 | 0 | 0 | 110.6 | L357 L375 P376 L406 R413 Y416 M422 | L357-L418 HydrophobicContact CB-CD2 4.4Å; L375-L418 HydrophobicContact CD2-CD1 4.06Å; L375-L418 HydrophobicContact CD2-CD2 4.14Å; P376-L418 HydrophobicContact CG-CD1 4.08Å; L406-L418 HydrophobicContact CD2-CD1 4.14Å; R413-L418 HydrophobicContact CB-CB 4.1Å; R413-L418 PolarHBondContact O-N 3.28Å; Y416-L418 PolarHBondContact O-N 3.18Å; L418-M422 HydrophobicContact CD2-SD 4.37Å | ||
| 419 | L | 93.7 | Very high | 92.5 | Very high | 103 Ų | 103 | 65.2 Ų | 65.2 | 54% | 0.539 | 36% | 0.356 | S | S | . | . | trans | -82.1 | 150.8 | 176.3 | -58.7 | 178.2 | 0 | 0 | 0 | 111 | S421 M422 | L419-S421 PolarHBondContact O-N 3.34Å; L419-M422 HydrophobicContact CB-CE 4.34Å; L419-M422 HydrophobicContact CB-CG 4.08Å; L419-M422 HydrophobicContact CB-SD 4.07Å; L419-M422 HydrophobicContact CD1-CE 4.03Å; L419-M422 HydrophobicContact CG-CE 4.08Å; L419-M422 HydrophobicContact CG-SD 4.33Å; L419-M422 PolarHBondContact N-SD 3.42Å; L419-M422 VanDerWaalsContact O-CB 3.31Å; L419-M422 WeakPolarHBondContact O-CB 3.42Å; L419-M422 PolarHBondContact O-N 2.85Å | ||
| 420 | D | 92.3 | Very high | 92.8 | Very high | 84 Ų | 84 | 63.8 Ų | 63.8 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -57.1 | -36.7 | 176.1 | -78.7 | 3.7 | 0 | 0 | 0 | 112.2 | R413 M422 V423 I424 | R413-D420 IonicContact CZ-OD1 2.85Å; R413-D420 IonicContact NE-OD1 3.41Å; R413-D420 PolarHBondContact NE-OD1 2.86Å; R413-D420 IonicContact NH2-OD1 3.9Å; R413-D420 PolarHBondContact NH2-OD1 3.12Å; R413-D420 IonicContact NH2-OD2 3.24Å; D420-M422 PolarHBondContact O-N 3.35Å; D420-V423 PolarHBondContact O-N 3.45Å; D420-V423 VanDerWaalsContact O-N 3.15Å; D420-I424 HydrophobicContact CB-CD1 3.71Å; D420-I424 HydrophobicContact CB-CG1 4.33Å; D420-I424 WeakPolarHBondContact O-CB 3.37Å; D420-I424 WeakPolarHBondContact O-CG1 3.16Å; D420-I424 PolarHBondContact O-N 3.38Å |
| 421 | S | 93.4 | Very high | 93 | Very high | 75 Ų | 75 | 60.5 Ų | 60.5 | 52% | 0.524 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -64.8 | -16.3 | 175.9 | 61.3 | 0 | 0 | 0 | 0 | 114.2 | L419 | L419-S421 PolarHBondContact O-N 3.34Š|
| 422 | M | 93.9 | Very high | 93.2 | Very high | 30 Ų | 30 | 56.8 Ų | 56.8 | 15% | 0.148 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -86.3 | -15.1 | 177.6 | -61.6 | 171 | 171.9 | 0 | 0 | 112.9 | F373 L418 L419 D420 F426 | F373-M422 HydrophobicContact CB-CB 4.2Å; F373-M422 HydrophobicContact CD1-CB 4.16Å; F373-M422 HydrophobicContact CD1-CE 4.47Å; F373-M422 HydrophobicContact CD1-CG 3.77Å; F373-M422 HydrophobicContact CD1-SD 4.32Å; F373-M422 HydrophobicContact CD2-CB 3.82Å; F373-M422 HydrophobicContact CD2-CG 4.11Å; F373-M422 HydrophobicContact CE1-CE 4.25Å; F373-M422 HydrophobicContact CE1-CG 3.78Å; F373-M422 HydrophobicContact CE2-CB 4.19Å; F373-M422 HydrophobicContact CE2-CG 4.12Å; F373-M422 HydrophobicContact CG-CB 3.79Å; F373-M422 HydrophobicContact CG-CG 3.93Å; F373-M422 HydrophobicContact CZ-CG 3.96Å; L418-M422 HydrophobicContact CD2-SD 4.37Å; L419-M422 HydrophobicContact CB-CE 4.34Å; L419-M422 HydrophobicContact CB-CG 4.08Å; L419-M422 HydrophobicContact CB-SD 4.07Å; L419-M422 HydrophobicContact CD1-CE 4.03Å; L419-M422 HydrophobicContact CG-CE 4.08Å; L419-M422 HydrophobicContact CG-SD 4.33Å; L419-M422 PolarHBondContact N-SD 3.42Å; L419-M422 VanDerWaalsContact O-CB 3.31Å; L419-M422 WeakPolarHBondContact O-CB 3.42Å; L419-M422 PolarHBondContact O-N 2.85Å; D420-M422 PolarHBondContact O-N 3.35Å; M422-F426 WeakPolarHBondContact O-CD2 3.35Å; M422-F426 WeakPolarHBondContact O-CE2 3.22Å |
| 423 | V | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | -51.3 | -170.9 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | L375 L403 L406 I407 D420 F426 | L375-V423 HydrophobicContact CD1-CG2 4.23Å; L375-V423 HydrophobicContact CD2-CG2 3.92Å; L403-V423 HydrophobicContact CD1-CG1 3.97Å; L406-V423 HydrophobicContact CB-CG1 3.81Å; I407-V423 HydrophobicContact CG1-CG1 3.81Å; D420-V423 PolarHBondContact O-N 3.45Å; D420-V423 VanDerWaalsContact O-N 3.15Å; V423-F426 PolarHBondContact O-N 2.92Å |
| 424 | I | 92.2 | Very high | 93.6 | Very high | 78 Ų | 78 | 58 Ų | 58 | 40% | 0.4 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -40.4 | -168.3 | -58.6 | -178.9 | 0 | 0 | 0 | 113.5 | D420 F426 | D420-I424 HydrophobicContact CB-CD1 3.71Å; D420-I424 HydrophobicContact CB-CG1 4.33Å; D420-I424 WeakPolarHBondContact O-CB 3.37Å; D420-I424 WeakPolarHBondContact O-CG1 3.16Å; D420-I424 PolarHBondContact O-N 3.38Å; I424-F426 PolarHBondContact O-N 3.12Å |
| 425 | P | 93 | Very high | 93.5 | Very high | 79 Ų | 79 | 56.7 Ų | 56.7 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -5.5 | -177.1 | -20.9 | 34.6 | 0 | 0 | 0 | 115.8 | E427 | P425-E427 PolarHBondContact O-N 3.48Š|
| 426 | F | 93.1 | Very high | 93.4 | Very high | 16 Ų | 16 | 53.8 Ų | 53.8 | 7% | 0.07 | 31% | 0.314 | C | S | . | . | trans | -100 | 88.5 | -171.6 | -62.5 | -87.5 | 0 | 0 | 0 | 110.8 | T299 Y368 V372 F373 M422 V423 I424 | T299-F426 WeakPolarHBondContact O-CD1 3.49Å; Y368-F426 AromaticContact CD1-CD1 3.85Å; Y368-F426 HydrophobicContact CD1-CD1 3.85Å; Y368-F426 AromaticContact CD1-CE1 3.97Å; Y368-F426 HydrophobicContact CD1-CE1 3.97Å; Y368-F426 AromaticContact CD2-CD1 3.84Å; Y368-F426 HydrophobicContact CD2-CD1 3.84Å; Y368-F426 HydrophobicContact CD2-CE1 4.36Å; Y368-F426 AromaticContact CE1-CD1 3.93Å; Y368-F426 HydrophobicContact CE1-CD1 3.93Å; Y368-F426 HydrophobicContact CE1-CE1 4.45Å; Y368-F426 AromaticContact CE2-CD1 3.93Å; Y368-F426 HydrophobicContact CE2-CD1 3.93Å; Y368-F426 AromaticContact CG-CD1 3.81Å; Y368-F426 HydrophobicContact CG-CD1 3.81Å; Y368-F426 AromaticContact CG-CE1 3.93Å; Y368-F426 HydrophobicContact CG-CE1 3.93Å; Y368-F426 AromaticContact CZ-CD1 3.99Å; V372-F426 HydrophobicContact CB-CE1 4.35Å; V372-F426 HydrophobicContact CG1-CD1 4.22Å; V372-F426 HydrophobicContact CG1-CE1 3.96Å; F373-F426 AromaticContact CD2-CE2 3.67Å; F373-F426 HydrophobicContact CD2-CE2 3.67Å; F373-F426 AromaticContact CD2-CZ 3.7Å; F373-F426 HydrophobicContact CD2-CZ 3.7Å; F373-F426 AromaticContact CE2-CE2 3.83Å; F373-F426 HydrophobicContact CE2-CE2 3.83Å; F373-F426 AromaticContact CE2-CZ 3.72Å; F373-F426 HydrophobicContact CE2-CZ 3.72Å; M422-F426 WeakPolarHBondContact O-CD2 3.35Å; M422-F426 WeakPolarHBondContact O-CE2 3.22Å; V423-F426 PolarHBondContact O-N 2.92Å; I424-F426 PolarHBondContact O-N 3.12Å | ||
| 427 | E | 92.4 | Very high | 93.4 | Very high | 142 Ų | 142 | 53.1 Ų | 53.1 | 66% | 0.664 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -84.8 | 152 | 177.3 | -64.4 | -173.9 | 169.3 | 0 | 0 | 112.1 | T299 Y368 P425 I429 | T299-E427 WeakPolarHBondContact CG2-O 3.39Å; Y368-E427 PolarHBondContact OH-N 3.08Å; Y368-E427 PolarHBondContact OH-O 3.3Å; P425-E427 PolarHBondContact O-N 3.48Å; E427-I429 PolarHBondContact O-N 3.45Å |
| 428 | P | 94.7 | Very high | 93.6 | Very high | 25 Ų | 25 | 47.4 Ų | 47.4 | 16% | 0.162 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 132.3 | 174.7 | -21.7 | 32 | 0 | 0 | 0 | 112.1 | P393 W400 L440 V443 | P393-P428 HydrophobicContact CB-CB 4.15Å; P393-P428 HydrophobicContact CB-CG 3.99Å; W400-P428 HydrophobicContact CE3-CG 3.66Å; W400-P428 HydrophobicContact CH2-CG 4.14Å; W400-P428 HydrophobicContact CZ3-CG 3.34Å; P428-L440 HydrophobicContact CB-CD2 3.99Å; P428-V443 HydrophobicContact CB-CG2 4.48Å; P428-V443 HydrophobicContact CG-CG2 4.22Å |
| 429 | I | 94.8 | Very high | 93.6 | Very high | 26 Ų | 26 | 49 Ų | 49 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -98.8 | 123.6 | -178.6 | -58.2 | 159.8 | 0 | 0 | 0 | 109 | Y368 S394 E427 I431 | Y368-I429 HydrophobicContact CD2-CD1 3.95Å; Y368-I429 HydrophobicContact CE2-CD1 3.55Å; Y368-I429 HydrophobicContact CE2-CG1 4.09Å; S394-I429 WeakPolarHBondContact CB-O 3.46Å; S394-I429 PolarHBondContact OG-O 2.99Å; S394-I429 VanDerWaalsContact OG-O 3.13Å; E427-I429 PolarHBondContact O-N 3.45Å; I429-I431 HydrophobicContact CG2-CG2 4.1Å; I429-I431 PolarHBondContact O-N 2.96Å |
| 430 | P | 95.4 | Very high | 93.7 | Very high | 64 Ų | 64 | 46.5 Ų | 46.5 | 42% | 0.416 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 116.4 | 176.9 | 27.1 | -32.8 | 0 | 0 | 0 | 111 | S439 L440 L478 | P430-S439 WeakPolarHBondContact CA-O 3.41Å; P430-L440 HydrophobicContact CB-CD2 4.07Å; P430-L478 HydrophobicContact CB-CD1 4.26Å |
| 431 | I | 95.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | trans | -122.8 | -23.6 | -176.7 | 55 | 167.2 | 0 | 0 | 0 | 113.9 | T294 F296 V392 D395 I429 L478 V479 | T294-I431 HydrophobicContact CG2-CD1 4.31Å; T294-I431 VanDerWaalsContact O-CD1 3.27Å; T294-I431 WeakPolarHBondContact O-CD1 3.35Å; F296-I431 HydrophobicContact CB-CG2 3.79Å; V392-I431 HydrophobicContact CG1-CD1 3.79Å; D395-I431 WeakPolarHBondContact OD2-CD1 3.34Å; D395-I431 WeakPolarHBondContact OD2-CG1 3.42Å; I429-I431 HydrophobicContact CG2-CG2 4.1Å; I429-I431 PolarHBondContact O-N 2.96Å; I431-L478 PolarHBondContact O-N 3.32Å; I431-V479 HydrophobicContact CB-CG2 4.15Å; I431-V479 HydrophobicContact CG2-CG2 4.11Å | ||
| 432 | I | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 127.5 | -179 | -62.6 | 167 | 0 | 0 | 0 | 108.5 | T294 T434 S439 I476 M477 V487 | T294-I432 HydrophobicContact CG2-CD1 4.12Å; I432-T434 PolarHBondContact O-N 3.28Å; I432-S439 WeakPolarHBondContact O-CA 3.4Å; I432-I476 CarbonylContact C-O 3.23Å; I432-I476 WeakPolarHBondContact CA-O 3.3Å; I432-M477 HydrophobicContact CD1-SD 4.43Å; I432-M477 HydrophobicContact CG1-SD 3.9Å; I432-V487 HydrophobicContact CD1-CG2 3.76Å; I432-V487 HydrophobicContact CG1-CG2 3.97Å; I432-V487 HydrophobicContact CG2-CG2 3.89Å |
| 433 | E | 96.6 | Very high | 94.1 | Very high | 78 Ų | 78 | 38.5 Ų | 38.5 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 112.6 | 166.1 | -174.9 | 61.7 | -125 | 0 | 0 | 108.4 | G438 G475 I476 L478 | E433-G438 VanDerWaalsContact OE1-C 3.29Å; E433-G438 VanDerWaalsContact OE1-CA 3.24Å; E433-G438 WeakPolarHBondContact OE1-CA 3.31Å; E433-G475 WeakPolarHBondContact O-CA 3.33Å; E433-I476 HydrophobicContact CB-CB 4.46Å; E433-I476 PolarHBondContact N-O 3.2Å; E433-I476 PolarHBondContact O-N 2.82Å; E433-L478 HydrophobicContact CB-CD1 4.31Å; E433-L478 HydrophobicContact CB-CD2 3.98Å; E433-L478 HydrophobicContact CB-CG 4.16Å |
| 434 | T | 93.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -106.6 | 118.6 | -178.1 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | I432 G436 L437 G438 P441 V470 | I432-T434 PolarHBondContact O-N 3.28Å; T434-G436 PolarHBondContact O-N 2.83Å; T434-L437 HydrophobicContact CG2-CB 4.19Å; T434-L437 HydrophobicContact CG2-CD1 4.15Å; T434-L437 HydrophobicContact CG2-CG 4.5Å; T434-L437 PolarHBondContact O-N 3.36Å; T434-G438 PolarHBondContact N-O 3.42Å; T434-G438 PolarHBondContact O-N 2.82Å; T434-P441 HydrophobicContact CG2-CB 4.28Å; T434-V470 HydrophobicContact CG2-CB 4.06Å; T434-V470 HydrophobicContact CG2-CG1 3.63Å |
| 435 | P | 89.9 | Confident | 94.3 | Very high | 73 Ų | 73 | 37 Ų | 37 | 47% | 0.474 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 125.4 | -178.6 | -30.6 | 37.8 | 0 | 0 | 0 | 113.2 | L437 D474 | P435-L437 PolarHBondContact O-N 2.91Å; P435-D474 HydrophobicContact CG-CB 3.97Å |
| 436 | G | 90 | Very high | 94.3 | Very high | 78 Ų | 78 | 33.6 Ų | 33.6 | 80% | 0.804 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | -8.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | T434 | T434-G436 PolarHBondContact O-N 2.83Š|
| 437 | L | 92.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 38 Ų | 38 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | -13.8 | 178.8 | -63 | 178.8 | 0 | 0 | 0 | 113.6 | T434 P435 P441 T444 I445 V467 | T434-L437 HydrophobicContact CG2-CB 4.19Å; T434-L437 HydrophobicContact CG2-CD1 4.15Å; T434-L437 HydrophobicContact CG2-CG 4.5Å; T434-L437 PolarHBondContact O-N 3.36Å; P435-L437 PolarHBondContact O-N 2.91Å; L437-P441 HydrophobicContact CB-CB 3.63Å; L437-P441 HydrophobicContact CD1-CB 4.01Å; L437-P441 HydrophobicContact CG-CB 4.48Å; L437-T444 HydrophobicContact CD2-CG2 4.39Å; L437-T444 VanDerWaalsContact O-CB 3.23Å; L437-T444 WeakPolarHBondContact O-CB 3.23Å; L437-T444 WeakPolarHBondContact O-CG2 3.38Å; L437-T444 PolarHBondContact O-OG1 3.24Å; L437-I445 HydrophobicContact CD1-CD1 4.41Å; L437-I445 HydrophobicContact CD2-CB 4.26Å; L437-I445 HydrophobicContact CD2-CD1 4.46Å; L437-V467 HydrophobicContact CD1-CG2 4Å |
| 438 | G | 94.1 | Very high | 94.3 | Very high | 24 Ų | 24 | 36.4 Ų | 36.4 | 25% | 0.247 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | 84.2 | -163.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E433 T434 | E433-G438 VanDerWaalsContact OE1-C 3.29Å; E433-G438 VanDerWaalsContact OE1-CA 3.24Å; E433-G438 WeakPolarHBondContact OE1-CA 3.31Å; T434-G438 PolarHBondContact N-O 3.42Å; T434-G438 PolarHBondContact O-N 2.82Å |
| 439 | S | 95 | Very high | 94.2 | Very high | 42 Ų | 42 | 37.2 Ų | 37.2 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -82.1 | -9.9 | -179.7 | 61.6 | 0 | 0 | 0 | 0 | 115.1 | P430 I432 P441 | P430-S439 WeakPolarHBondContact CA-O 3.41Å; I432-S439 WeakPolarHBondContact O-CA 3.4Å; S439-P441 VanDerWaalsContact C-CD 3.41Å |
| 440 | L | 96.6 | Very high | 94 | Very high | 51 Ų | 51 | 43.7 Ų | 43.7 | 27% | 0.267 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -125.5 | 61.5 | 174.6 | -64.9 | 177.9 | 0 | 0 | 0 | 110.1 | S394 P428 P430 A442 V443 T444 | S394-L440 CarbonylContact O-C 3.59Å; P428-L440 HydrophobicContact CB-CD2 3.99Å; P430-L440 HydrophobicContact CB-CD2 4.07Å; L440-A442 VanDerWaalsContact C-N 3.3Å; L440-A442 PolarHBondContact O-N 2.98Å; L440-V443 HydrophobicContact CB-CB 4.12Å; L440-V443 HydrophobicContact CB-CG2 4.09Å; L440-V443 PolarHBondContact O-N 3.07Å; L440-V443 VanDerWaalsContact O-N 3.11Å; L440-T444 PolarHBondContact O-N 2.98Å; L440-T444 PolarHBondContact O-OG1 3.19Å |
| 441 | P | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.1 | -35.7 | -167.8 | 24 | -36.2 | 0 | 0 | 0 | 114.3 | S394 T434 L437 S439 I445 V467 | S394-P441 WeakPolarHBondContact O-CD 3.35Å; S394-P441 WeakPolarHBondContact O-CG 3.37Å; T434-P441 HydrophobicContact CG2-CB 4.28Å; L437-P441 HydrophobicContact CB-CB 3.63Å; L437-P441 HydrophobicContact CD1-CB 4.01Å; L437-P441 HydrophobicContact CG-CB 4.48Å; S439-P441 VanDerWaalsContact C-CD 3.41Å; P441-I445 WeakPolarHBondContact O-CB 3.28Å; P441-I445 WeakPolarHBondContact O-CG2 3.47Å; P441-I445 PolarHBondContact O-N 2.97Å; P441-V467 HydrophobicContact CB-CG1 4.23Å; P441-V467 HydrophobicContact CB-CG2 4.46Å; P441-V467 HydrophobicContact CG-CG1 4.28Å |
| 442 | A | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P393 S394 P397 W400 L440 I445 V446 | P393-A442 WeakPolarHBondContact O-CB 3.35Å; S394-A442 VanDerWaalsContact O-CB 3.25Å; S394-A442 WeakPolarHBondContact O-CB 3.17Å; S394-A442 PolarHBondContact O-N 2.95Å; P397-A442 HydrophobicContact CG-CB 4.19Å; W400-A442 HydrophobicContact CB-CB 4.49Å; L440-A442 VanDerWaalsContact C-N 3.3Å; L440-A442 PolarHBondContact O-N 2.98Å; A442-I445 WeakPolarHBondContact O-CG2 3.22Å; A442-V446 VanDerWaalsContact O-CB 3.29Å; A442-V446 WeakPolarHBondContact O-CB 3.29Å; A442-V446 WeakPolarHBondContact O-CG2 3.37Å; A442-V446 PolarHBondContact O-N 3.33Å; A442-V446 VanDerWaalsContact O-N 3.15Å |
| 443 | V | 95.6 | Very high | 92.1 | Very high | 22 Ų | 22 | 50.6 Ų | 50.6 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.6 | -51.4 | 175.4 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | W400 P428 L440 I445 V446 D447 | W400-V443 HydrophobicContact CD2-CG2 3.88Å; W400-V443 HydrophobicContact CE3-CG2 4.27Å; W400-V443 HydrophobicContact CG-CG2 4.21Å; W400-V443 HydrophobicContact CH2-CG2 4.39Å; W400-V443 HydrophobicContact CZ2-CG1 3.84Å; W400-V443 HydrophobicContact CZ2-CG2 4.08Å; P428-V443 HydrophobicContact CB-CG2 4.48Å; P428-V443 HydrophobicContact CG-CG2 4.22Å; L440-V443 HydrophobicContact CB-CB 4.12Å; L440-V443 HydrophobicContact CB-CG2 4.09Å; L440-V443 PolarHBondContact O-N 3.07Å; L440-V443 VanDerWaalsContact O-N 3.11Å; V443-I445 PolarHBondContact O-N 3.38Å; V443-V446 PolarHBondContact O-N 2.78Å; V443-D447 PolarHBondContact O-N 3.37Å; V443-D447 VanDerWaalsContact O-N 3.07Å |
| 444 | T | 95.8 | Very high | 91.1 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 28% | 0.282 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57 | -46.9 | -179.1 | -57.6 | 0 | 0 | 0 | 0 | 112 | L437 L440 D447 Q448 | L437-T444 HydrophobicContact CD2-CG2 4.39Å; L437-T444 VanDerWaalsContact O-CB 3.23Å; L437-T444 WeakPolarHBondContact O-CB 3.23Å; L437-T444 WeakPolarHBondContact O-CG2 3.38Å; L437-T444 PolarHBondContact O-OG1 3.24Å; L440-T444 PolarHBondContact O-N 2.98Å; L440-T444 PolarHBondContact O-OG1 3.19Å; T444-D447 PolarHBondContact O-N 3.14Å; T444-Q448 HydrophobicContact CG2-CG 4.43Å; T444-Q448 WeakPolarHBondContact O-CB 3.14Å; T444-Q448 VanDerWaalsContact O-CG 3.26Å; T444-Q448 WeakPolarHBondContact O-CG 3.24Å; T444-Q448 PolarHBondContact O-N 3.22Å |
| 445 | I | 94.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -72.4 | -35.1 | -176.6 | -161.6 | 160.1 | 0 | 0 | 0 | 112.7 | P397 L437 P441 A442 V443 D447 Q448 L449 A463 K466 V467 | P397-I445 HydrophobicContact CG-CG2 4.08Å; L437-I445 HydrophobicContact CD1-CD1 4.41Å; L437-I445 HydrophobicContact CD2-CB 4.26Å; L437-I445 HydrophobicContact CD2-CD1 4.46Å; P441-I445 WeakPolarHBondContact O-CB 3.28Å; P441-I445 WeakPolarHBondContact O-CG2 3.47Å; P441-I445 PolarHBondContact O-N 2.97Å; A442-I445 WeakPolarHBondContact O-CG2 3.22Å; V443-I445 PolarHBondContact O-N 3.38Å; I445-D447 VanDerWaalsContact C-N 3.3Å; I445-D447 PolarHBondContact O-N 2.98Å; I445-Q448 PolarHBondContact O-N 3.29Å; I445-L449 HydrophobicContact CD1-CD1 4.49Å; I445-L449 HydrophobicContact CG1-CD1 3.95Å; I445-L449 HydrophobicContact CG1-CG 4.23Å; I445-L449 WeakPolarHBondContact O-CB 3.35Å; I445-L449 WeakPolarHBondContact O-CG 3.41Å; I445-L449 PolarHBondContact O-N 3.34Å; I445-A463 HydrophobicContact CD1-CB 4.32Å; I445-A463 HydrophobicContact CG1-CB 4.27Å; I445-A463 HydrophobicContact CG2-CB 3.93Å; I445-K466 HydrophobicContact CD1-CB 3.86Å; I445-K466 HydrophobicContact CD1-CD 3.69Å; I445-K466 HydrophobicContact CD1-CG 3.9Å; I445-V467 HydrophobicContact CB-CG2 4.29Å; I445-V467 HydrophobicContact CD1-CG2 4.16Å; I445-V467 HydrophobicContact CG2-CG2 3.63Å |
| 446 | V | 93.7 | Very high | 89.9 | Confident | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.036 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.1 | -41 | 176.2 | 158.4 | 0 | 0 | 0 | 0 | 110.3 | P397 V401 A442 V443 K450 I451 | P397-V446 HydrophobicContact CB-CG2 4.07Å; V401-V446 HydrophobicContact CG2-CG1 3.91Å; V401-V446 HydrophobicContact CG2-CG2 3.78Å; A442-V446 VanDerWaalsContact O-CB 3.29Å; A442-V446 WeakPolarHBondContact O-CB 3.29Å; A442-V446 WeakPolarHBondContact O-CG2 3.37Å; A442-V446 PolarHBondContact O-N 3.33Å; A442-V446 VanDerWaalsContact O-N 3.15Å; V443-V446 PolarHBondContact O-N 2.78Å; V446-K450 WeakPolarHBondContact O-CA 3.46Å; V446-K450 PolarHBondContact O-N 3.5Å; V446-I451 HydrophobicContact CG1-CB 4.13Å; V446-I451 HydrophobicContact CG2-CD1 4.19Å; V446-I451 PolarHBondContact O-N 2.92Å |
| 447 | D | 92.8 | Very high | 89.5 | Confident | 108 Ų | 108 | 59.5 Ų | 59.5 | 58% | 0.578 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -68.7 | -43.8 | 174.4 | -74.1 | -11.7 | 0 | 0 | 0 | 111.9 | V443 T444 I445 L449 K450 | V443-D447 PolarHBondContact O-N 3.37Å; V443-D447 VanDerWaalsContact O-N 3.07Å; T444-D447 PolarHBondContact O-N 3.14Å; I445-D447 VanDerWaalsContact C-N 3.3Å; I445-D447 PolarHBondContact O-N 2.98Å; D447-L449 PolarHBondContact O-N 2.94Å; D447-K450 PolarHBondContact O-N 3.4Å; D447-K450 VanDerWaalsContact O-N 3.17Å |
| 448 | Q | 92.2 | Very high | 89.3 | Confident | 109 Ų | 109 | 65.9 Ų | 65.9 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 176.9 | -76.9 | 177.9 | 7.2 | 0 | 0 | 112.5 | T444 I445 K450 | T444-Q448 HydrophobicContact CG2-CG 4.43Å; T444-Q448 WeakPolarHBondContact O-CB 3.14Å; T444-Q448 VanDerWaalsContact O-CG 3.26Å; T444-Q448 WeakPolarHBondContact O-CG 3.24Å; T444-Q448 PolarHBondContact O-N 3.22Å; I445-Q448 PolarHBondContact O-N 3.29Å; Q448-K450 VanDerWaalsContact C-N 3.3Å |
| 449 | L | 92.5 | Very high | 89.1 | Confident | 43 Ų | 43 | 68.9 Ų | 68.9 | 23% | 0.225 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -2.8 | 179.2 | -65.2 | 178.4 | 0 | 0 | 0 | 113.5 | I445 D447 I451 K459 A463 | I445-L449 HydrophobicContact CD1-CD1 4.49Å; I445-L449 HydrophobicContact CG1-CD1 3.95Å; I445-L449 HydrophobicContact CG1-CG 4.23Å; I445-L449 WeakPolarHBondContact O-CB 3.35Å; I445-L449 WeakPolarHBondContact O-CG 3.41Å; I445-L449 PolarHBondContact O-N 3.34Å; D447-L449 PolarHBondContact O-N 2.94Å; L449-I451 VanDerWaalsContact C-N 3.32Å; L449-I451 HydrophobicContact CB-CD1 4.12Å; L449-I451 HydrophobicContact CB-CG1 3.98Å; L449-I451 HydrophobicContact CD1-CD1 4.34Å; L449-I451 PolarHBondContact O-N 3.45Å; L449-K459 PolarHBondContact O-NZ 3.03Å; L449-K459 VanDerWaalsContact O-NZ 3.08Å; L449-A463 HydrophobicContact CD1-CB 3.91Å |
| 450 | K | 89.7 | Confident | 88.8 | Confident | 161 Ų | 161 | 67.3 Ų | 67.3 | 70% | 0.7 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 48.3 | -177.9 | -56.2 | -179 | -179.5 | -179.7 | 0 | 112 | V446 D447 Q448 | V446-K450 WeakPolarHBondContact O-CA 3.46Å; V446-K450 PolarHBondContact O-N 3.5Å; D447-K450 PolarHBondContact O-N 3.4Å; D447-K450 VanDerWaalsContact O-N 3.17Å; Q448-K450 VanDerWaalsContact C-N 3.3Å |
| 451 | I | 88.7 | Confident | 88.4 | Confident | 16 Ų | 16 | 69.3 Ų | 69.3 | 8% | 0.082 | 34% | 0.335 | C | S | . | . | trans | -75.8 | 124.3 | 177.7 | -65 | 171.5 | 0 | 0 | 0 | 108.3 | V401 V446 L449 D456 K459 L460 A463 | V401-I451 HydrophobicContact CG1-CG2 4.45Å; V401-I451 HydrophobicContact CG2-CG2 3.9Å; V446-I451 HydrophobicContact CG1-CB 4.13Å; V446-I451 HydrophobicContact CG2-CD1 4.19Å; V446-I451 PolarHBondContact O-N 2.92Å; L449-I451 VanDerWaalsContact C-N 3.32Å; L449-I451 HydrophobicContact CB-CD1 4.12Å; L449-I451 HydrophobicContact CB-CG1 3.98Å; L449-I451 HydrophobicContact CD1-CD1 4.34Å; L449-I451 PolarHBondContact O-N 3.45Å; I451-D456 HydrophobicContact CG2-CB 4.1Å; I451-K459 HydrophobicContact CD1-CB 3.92Å; I451-K459 HydrophobicContact CG1-CB 3.76Å; I451-K459 HydrophobicContact CG1-CD 4.18Å; I451-L460 HydrophobicContact CD1-CD2 4.15Å; I451-L460 HydrophobicContact CD1-CG 4.25Å; I451-L460 HydrophobicContact CG2-CD1 4.5Å; I451-L460 HydrophobicContact CG2-CD2 4.03Å; I451-L460 HydrophobicContact CG2-CG 3.98Å; I451-A463 HydrophobicContact CD1-CB 4.05Å | ||
| 452 | Q | 79.7 | Confident | 88.2 | Confident | 171 Ų | 171 | 74.4 Ų | 74.4 | 80% | 0.799 | 36% | 0.359 | S | S | * | . | trans | -103.9 | -24.9 | -172.1 | -65 | -169.9 | -3.8 | 0 | 0 | 113.4 | D456 | Q452-D456 PolarHBondContact N-OD2 3.03Š| ||
| 453 | S | 78.3 | Confident | 88 | Confident | 24 Ų | 24 | 74.4 Ų | 74.4 | 17% | 0.168 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -159.5 | 169.7 | 179.2 | 71.3 | 0 | 0 | 0 | 0 | 112.6 | V401 N455 D456 | V401-S453 VanDerWaalsContact CG1-C 3.4Å; S453-N455 PolarHBondContact O-N 3.01Å; S453-N455 PolarHBondContact OG-N 3.35Å; S453-D456 PolarHBondContact N-OD2 3.24Å; S453-D456 PolarHBondContact O-N 2.93Å; S453-D456 VanDerWaalsContact O-N 3.13Å |
| 454 | Q | 75.4 | Confident | 87.7 | Confident | 42 Ų | 42 | 76 Ų | 76 | 20% | 0.196 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -10.4 | 173.3 | -69.9 | 174.8 | 81.3 | 0 | 0 | 114.3 | V401 A402 D405 | V401-Q454 HydrophobicContact CG1-CG 3.94Å; A402-Q454 HydrophobicContact CB-CG 4.41Å; D405-Q454 WeakPolarHBondContact OD2-CG 3.37Å; D405-Q454 PolarHBondContact OD2-NE2 3.13Å |
| 455 | N | 77.3 | Confident | 87.5 | Confident | 129 Ų | 129 | 79.2 Ų | 79.2 | 69% | 0.69 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -12.2 | 178.8 | -65.2 | -35.2 | 0 | 0 | 0 | 113.8 | S453 R457 | S453-N455 PolarHBondContact O-N 3.01Å; S453-N455 PolarHBondContact OG-N 3.35Å; N455-R457 PolarHBondContact O-N 3.4Å |
| 456 | D | 81.9 | Confident | 87.3 | Confident | 52 Ų | 52 | 83.2 Ų | 83.2 | 28% | 0.278 | 39% | 0.393 | S | S | . | . | trans | -78.2 | 57.6 | 177.3 | -67.6 | -37.6 | 0 | 0 | 0 | 111.6 | I451 Q452 S453 D458 K459 L460 | I451-D456 HydrophobicContact CG2-CB 4.1Å; Q452-D456 PolarHBondContact N-OD2 3.03Å; S453-D456 PolarHBondContact N-OD2 3.24Å; S453-D456 PolarHBondContact O-N 2.93Å; S453-D456 VanDerWaalsContact O-N 3.13Å; D456-D458 PolarHBondContact O-N 3.3Å; D456-K459 HydrophobicContact CB-CB 4.48Å; D456-K459 PolarHBondContact O-N 3.45Å; D456-L460 WeakPolarHBondContact O-CB 3.45Å; D456-L460 PolarHBondContact O-N 3.36Å | ||
| 457 | R | 82.1 | Confident | 87.2 | Confident | 194 Ų | 194 | 83 Ų | 83 | 73% | 0.732 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -54.5 | -46.9 | -166.1 | -68.2 | -177.5 | 178.9 | 177.7 | 0.2 | 114.4 | N455 L460 Q461 | N455-R457 PolarHBondContact O-N 3.4Å; R457-L460 PolarHBondContact O-N 2.97Å; R457-Q461 WeakPolarHBondContact O-CB 3.38Å; R457-Q461 PolarHBondContact O-N 2.95Å |
| 458 | D | 87.6 | Confident | 87.1 | Confident | 143 Ų | 143 | 81.4 Ų | 81.4 | 77% | 0.765 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66.8 | -42.6 | -176.2 | -61.3 | -27.1 | 0 | 0 | 0 | 111.4 | D456 Q461 E462 | D456-D458 PolarHBondContact O-N 3.3Å; D458-Q461 PolarHBondContact O-N 3.4Å; D458-E462 PolarHBondContact O-N 2.91Å |
| 459 | K | 90 | Very high | 86.9 | Confident | 87 Ų | 87 | 84.1 Ų | 84.1 | 38% | 0.378 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.7 | -38.2 | 176.7 | -64.8 | -173.1 | 177.3 | -174.8 | 0 | 112.2 | L449 I451 D456 Q461 E462 A463 | L449-K459 PolarHBondContact O-NZ 3.03Å; L449-K459 VanDerWaalsContact O-NZ 3.08Å; I451-K459 HydrophobicContact CD1-CB 3.92Å; I451-K459 HydrophobicContact CG1-CB 3.76Å; I451-K459 HydrophobicContact CG1-CD 4.18Å; D456-K459 HydrophobicContact CB-CB 4.48Å; D456-K459 PolarHBondContact O-N 3.45Å; K459-Q461 VanDerWaalsContact C-N 3.34Å; K459-E462 PolarHBondContact O-N 3.42Å; K459-A463 VanDerWaalsContact O-CB 3.32Å; K459-A463 WeakPolarHBondContact O-CB 3.48Å; K459-A463 PolarHBondContact O-N 3.5Å |
| 460 | L | 88.2 | Confident | 86.8 | Confident | 9 Ų | 9 | 83.4 Ų | 83.4 | 5% | 0.047 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 175.2 | -84.8 | 167.1 | 0 | 0 | 0 | 111.4 | P397 V401 I451 D456 R457 A463 K464 | P397-L460 HydrophobicContact CB-CD2 4.36Å; V401-L460 HydrophobicContact CB-CD2 4.33Å; V401-L460 HydrophobicContact CG2-CD2 3.92Å; I451-L460 HydrophobicContact CD1-CD2 4.15Å; I451-L460 HydrophobicContact CD1-CG 4.25Å; I451-L460 HydrophobicContact CG2-CD1 4.5Å; I451-L460 HydrophobicContact CG2-CD2 4.03Å; I451-L460 HydrophobicContact CG2-CG 3.98Å; D456-L460 WeakPolarHBondContact O-CB 3.45Å; D456-L460 PolarHBondContact O-N 3.36Å; R457-L460 PolarHBondContact O-N 2.97Å; L460-A463 PolarHBondContact O-N 3.4Å; L460-K464 VanDerWaalsContact O-CB 3.27Å; L460-K464 WeakPolarHBondContact O-CB 3.44Å; L460-K464 PolarHBondContact O-N 3.47Å |
| 461 | Q | 88.9 | Confident | 86.7 | Confident | 93 Ų | 93 | 75.7 Ų | 75.7 | 44% | 0.435 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 176 | -174.6 | 60.2 | 32.8 | 0 | 0 | 111.4 | R457 D458 K459 A463 K464 E465 | R457-Q461 WeakPolarHBondContact O-CB 3.38Å; R457-Q461 PolarHBondContact O-N 2.95Å; D458-Q461 PolarHBondContact O-N 3.4Å; K459-Q461 VanDerWaalsContact C-N 3.34Å; Q461-A463 VanDerWaalsContact C-N 3.35Å; Q461-A463 PolarHBondContact O-N 3.37Å; Q461-K464 PolarHBondContact O-N 3.02Å; Q461-E465 PolarHBondContact NE2-OE1 2.85Å; Q461-E465 WeakPolarHBondContact O-CG 3.49Å; Q461-E465 PolarHBondContact O-N 3.44Å |
| 462 | E | 91.2 | Very high | 86.7 | Confident | 106 Ų | 106 | 77.7 Ų | 77.7 | 50% | 0.495 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.8 | -46.4 | 173.9 | -174.5 | -170.8 | 161 | 0 | 0 | 111.7 | D458 K459 K464 K466 | D458-E462 PolarHBondContact O-N 2.91Å; K459-E462 PolarHBondContact O-N 3.42Å; E462-K464 PolarHBondContact O-N 2.86Å; E462-K466 WeakPolarHBondContact O-CB 3.42Å; E462-K466 PolarHBondContact O-N 3.1Å; E462-K466 VanDerWaalsContact O-N 3.09Å |
| 463 | A | 91.8 | Very high | 87 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P397 I445 L449 I451 K459 L460 Q461 K466 V467 | P397-A463 HydrophobicContact CB-CB 3.96Å; P397-A463 HydrophobicContact CG-CB 3.95Å; I445-A463 HydrophobicContact CD1-CB 4.32Å; I445-A463 HydrophobicContact CG1-CB 4.27Å; I445-A463 HydrophobicContact CG2-CB 3.93Å; L449-A463 HydrophobicContact CD1-CB 3.91Å; I451-A463 HydrophobicContact CD1-CB 4.05Å; K459-A463 VanDerWaalsContact O-CB 3.32Å; K459-A463 WeakPolarHBondContact O-CB 3.48Å; K459-A463 PolarHBondContact O-N 3.5Å; L460-A463 PolarHBondContact O-N 3.4Å; Q461-A463 VanDerWaalsContact C-N 3.35Å; Q461-A463 PolarHBondContact O-N 3.37Å; A463-K466 PolarHBondContact O-N 3.01Å; A463-V467 WeakPolarHBondContact O-CG2 3.48Å; A463-V467 PolarHBondContact O-N 3.17Å |
| 464 | K | 90.1 | Very high | 87.6 | Confident | 56 Ų | 56 | 78.9 Ų | 78.9 | 24% | 0.243 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.7 | -49.1 | -178.7 | -177 | 179.8 | -168 | 154.3 | 0 | 111.8 | D398 L460 Q461 E462 K466 V467 Y468 | D398-K464 IonicContact OD2-NZ 3.33Å; D398-K464 PolarHBondContact OD2-NZ 2.97Å; L460-K464 VanDerWaalsContact O-CB 3.27Å; L460-K464 WeakPolarHBondContact O-CB 3.44Å; L460-K464 PolarHBondContact O-N 3.47Å; Q461-K464 PolarHBondContact O-N 3.02Å; E462-K464 PolarHBondContact O-N 2.86Å; K464-K466 VanDerWaalsContact C-N 3.31Å; K464-K466 PolarHBondContact O-N 3.25Å; K464-V467 PolarHBondContact O-N 3.35Å; K464-Y468 HydrophobicContact CD-CE2 4.41Å; K464-Y468 HydrophobicContact CG-CD1 4.45Å; K464-Y468 HydrophobicContact CG-CD2 4.08Å; K464-Y468 HydrophobicContact CG-CE1 4.24Å; K464-Y468 HydrophobicContact CG-CE2 3.87Å; K464-Y468 HydrophobicContact CG-CG 4.38Å; K464-Y468 VanDerWaalsContact O-CB 3.25Å; K464-Y468 WeakPolarHBondContact O-CB 3.35Å; K464-Y468 WeakPolarHBondContact O-CD1 3.38Å; K464-Y468 VanDerWaalsContact O-CG 3.29Å; K464-Y468 PolarHBondContact O-N 2.67Å |
| 465 | E | 89.9 | Confident | 88.4 | Confident | 113 Ų | 113 | 76.9 Ų | 76.9 | 53% | 0.528 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60 | -43 | 178 | -74.1 | 174.8 | -168.4 | 0 | 0 | 111.6 | Q461 R469 | Q461-E465 PolarHBondContact NE2-OE1 2.85Å; Q461-E465 WeakPolarHBondContact O-CG 3.49Å; Q461-E465 PolarHBondContact O-N 3.44Å; E465-R469 WeakPolarHBondContact O-CB 3.08Å; E465-R469 PolarHBondContact O-N 3.16Å |
| 466 | K | 90.5 | Very high | 89.3 | Confident | 86 Ų | 86 | 74 Ų | 74 | 37% | 0.374 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.2 | -48.4 | 179.7 | -173.5 | 166.3 | 170.3 | -167.4 | 0 | 112.2 | I445 E462 A463 K464 V470 | I445-K466 HydrophobicContact CD1-CB 3.86Å; I445-K466 HydrophobicContact CD1-CD 3.69Å; I445-K466 HydrophobicContact CD1-CG 3.9Å; E462-K466 WeakPolarHBondContact O-CB 3.42Å; E462-K466 PolarHBondContact O-N 3.1Å; E462-K466 VanDerWaalsContact O-N 3.09Å; A463-K466 PolarHBondContact O-N 3.01Å; K464-K466 VanDerWaalsContact C-N 3.31Å; K464-K466 PolarHBondContact O-N 3.25Å; K466-V470 WeakPolarHBondContact O-CB 3.28Å; K466-V470 WeakPolarHBondContact O-CG2 3.47Å; K466-V470 PolarHBondContact O-N 3.2Å |
| 467 | V | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 178.5 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | D395 P397 L437 P441 I445 A463 K464 G471 | D395-V467 VanDerWaalsContact O-CG1 3.24Å; D395-V467 WeakPolarHBondContact O-CG1 3.36Å; P397-V467 HydrophobicContact CG-CB 4.32Å; P397-V467 HydrophobicContact CG-CG2 3.95Å; L437-V467 HydrophobicContact CD1-CG2 4Å; P441-V467 HydrophobicContact CB-CG1 4.23Å; P441-V467 HydrophobicContact CB-CG2 4.46Å; P441-V467 HydrophobicContact CG-CG1 4.28Å; I445-V467 HydrophobicContact CB-CG2 4.29Å; I445-V467 HydrophobicContact CD1-CG2 4.16Å; I445-V467 HydrophobicContact CG2-CG2 3.63Å; A463-V467 WeakPolarHBondContact O-CG2 3.48Å; A463-V467 PolarHBondContact O-N 3.17Å; K464-V467 PolarHBondContact O-N 3.35Å; V467-G471 WeakPolarHBondContact O-CA 3.46Å; V467-G471 PolarHBondContact O-N 3.16Å |
| 468 | Y | 90.2 | Very high | 90.5 | Very high | 76 Ų | 76 | 65 Ų | 65 | 30% | 0.298 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.2 | -41.4 | -176.1 | -74.7 | 14 | 0 | 0 | 0 | 111.6 | R291 D395 K464 F472 | R291-Y468 VanDerWaalsContact NH1-CD1 3.27Å; D395-Y468 WeakPolarHBondContact O-CE1 3.42Å; K464-Y468 HydrophobicContact CD-CE2 4.41Å; K464-Y468 HydrophobicContact CG-CD1 4.45Å; K464-Y468 HydrophobicContact CG-CD2 4.08Å; K464-Y468 HydrophobicContact CG-CE1 4.24Å; K464-Y468 HydrophobicContact CG-CE2 3.87Å; K464-Y468 HydrophobicContact CG-CG 4.38Å; K464-Y468 VanDerWaalsContact O-CB 3.25Å; K464-Y468 WeakPolarHBondContact O-CB 3.35Å; K464-Y468 WeakPolarHBondContact O-CD1 3.38Å; K464-Y468 VanDerWaalsContact O-CG 3.29Å; K464-Y468 PolarHBondContact O-N 2.67Å; Y468-F472 WeakPolarHBondContact O-CB 3.37Å; Y468-F472 PolarHBondContact O-N 3.47Å |
| 469 | R | 89.6 | Confident | 90.7 | Very high | 166 Ų | 166 | 59.4 Ų | 59.4 | 63% | 0.626 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65 | -55.1 | 178.1 | -173 | 179.5 | 68.1 | -165.6 | -0.4 | 111.4 | E465 F472 Y473 | E465-R469 WeakPolarHBondContact O-CB 3.08Å; E465-R469 PolarHBondContact O-N 3.16Å; R469-F472 PolarHBondContact O-N 3Å; R469-Y473 HydrophobicContact CG-CD2 4.13Å; R469-Y473 HydrophobicContact CG-CE2 4.39Å; R469-Y473 VanDerWaalsContact O-CD2 3.3Å; R469-Y473 WeakPolarHBondContact O-CD2 3.44Å; R469-Y473 PolarHBondContact O-N 3.29Å |
| 470 | V | 89.1 | Confident | 90.4 | Very high | 27 Ų | 27 | 64 Ų | 64 | 16% | 0.164 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.9 | -42.8 | -176.4 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | T434 K466 F472 D474 G475 | T434-V470 HydrophobicContact CG2-CB 4.06Å; T434-V470 HydrophobicContact CG2-CG1 3.63Å; K466-V470 WeakPolarHBondContact O-CB 3.28Å; K466-V470 WeakPolarHBondContact O-CG2 3.47Å; K466-V470 PolarHBondContact O-N 3.2Å; V470-F472 VanDerWaalsContact C-N 3.31Å; V470-F472 PolarHBondContact O-N 3.18Å; V470-D474 HydrophobicContact CG1-CB 4.4Å; V470-D474 WeakPolarHBondContact O-CA 3.38Å; V470-D474 WeakPolarHBondContact O-CB 3.31Å; V470-D474 PolarHBondContact O-N 3.37Å; V470-G475 PolarHBondContact O-N 3.36Å |
| 471 | G | 88.8 | Confident | 90.3 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.1 | -36 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V467 G475 V487 | V467-G471 WeakPolarHBondContact O-CA 3.46Å; V467-G471 PolarHBondContact O-N 3.16Å; G471-G475 VanDerWaalsContact O-CA 3.26Å; G471-G475 WeakPolarHBondContact O-CA 3.36Å; G471-G475 PolarHBondContact O-N 2.9Å; G471-V487 WeakPolarHBondContact O-CB 3.41Å; G471-V487 WeakPolarHBondContact O-CG2 3.48Å |
| 472 | F | 88.1 | Confident | 90.5 | Very high | 57 Ų | 57 | 66.2 Ų | 66.2 | 25% | 0.25 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -75.8 | -46.7 | 179.4 | -175.9 | -107.1 | 0 | 0 | 0 | 113.3 | Y468 R469 V470 V487 N488 K491 | Y468-F472 WeakPolarHBondContact O-CB 3.37Å; Y468-F472 PolarHBondContact O-N 3.47Å; R469-F472 PolarHBondContact O-N 3Å; V470-F472 VanDerWaalsContact C-N 3.31Å; V470-F472 PolarHBondContact O-N 3.18Å; F472-V487 HydrophobicContact CD2-CG1 3.91Å; F472-N488 HydrophobicContact CE1-CB 4.14Å; F472-N488 HydrophobicContact CE2-CB 4.15Å; F472-N488 HydrophobicContact CZ-CB 3.88Å; F472-N488 PolarHBondContact O-N 2.79Å; F472-K491 HydrophobicContact CE2-CD 3.73Å |
| 473 | Y | 85.8 | Confident | 90.6 | Very high | 138 Ų | 138 | 68 Ų | 68 | 54% | 0.541 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -82 | -35.9 | -174.6 | -72.7 | -72 | 0 | 0 | 0 | 113.5 | R469 | R469-Y473 HydrophobicContact CG-CD2 4.13Å; R469-Y473 HydrophobicContact CG-CE2 4.39Å; R469-Y473 VanDerWaalsContact O-CD2 3.3Å; R469-Y473 WeakPolarHBondContact O-CD2 3.44Å; R469-Y473 PolarHBondContact O-N 3.29Å |
| 474 | D | 90.6 | Very high | 90.5 | Very high | 83 Ų | 83 | 70.6 Ų | 70.6 | 44% | 0.444 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -120.4 | -7.8 | -170.9 | -56.3 | -53.1 | 0 | 0 | 0 | 113.8 | P435 V470 | P435-D474 HydrophobicContact CG-CB 3.97Å; V470-D474 HydrophobicContact CG1-CB 4.4Å; V470-D474 WeakPolarHBondContact O-CA 3.38Å; V470-D474 WeakPolarHBondContact O-CB 3.31Å; V470-D474 PolarHBondContact O-N 3.37Å |
| 475 | G | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | -67.2 | 141.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E433 V470 G471 K486 V487 | E433-G475 WeakPolarHBondContact O-CA 3.33Å; V470-G475 PolarHBondContact O-N 3.36Å; G471-G475 VanDerWaalsContact O-CA 3.26Å; G471-G475 WeakPolarHBondContact O-CA 3.36Å; G471-G475 PolarHBondContact O-N 2.9Å; G475-K486 WeakPolarHBondContact O-CA 3.45Å; G475-V487 WeakPolarHBondContact O-CG2 3.48Å; G475-V487 PolarHBondContact O-N 3.32Å | ||
| 476 | I | 95 | Very high | 90.8 | Very high | 68 Ų | 68 | 72 Ų | 72 | 35% | 0.349 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 128.6 | 178.5 | -63.2 | 168.1 | 0 | 0 | 0 | 109.5 | I432 E433 G484 L485 | I432-I476 CarbonylContact C-O 3.23Å; I432-I476 WeakPolarHBondContact CA-O 3.3Å; E433-I476 HydrophobicContact CB-CB 4.46Å; E433-I476 PolarHBondContact N-O 3.2Å; E433-I476 PolarHBondContact O-N 2.82Å; I476-G484 VanDerWaalsContact CG2-CA 3.48Å; I476-L485 WeakPolarHBondContact CA-O 3.47Å |
| 477 | M | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 136 | 178.6 | -66.9 | -62.1 | -67.5 | 0 | 0 | 111.7 | F296 I432 V479 Y482 K483 G484 L485 V487 V490 I494 | F296-M477 HydrophobicContact CD2-CE 4.33Å; F296-M477 HydrophobicContact CE2-CE 4.49Å; I432-M477 HydrophobicContact CD1-SD 4.43Å; I432-M477 HydrophobicContact CG1-SD 3.9Å; M477-V479 HydrophobicContact CE-CB 4.27Å; M477-V479 HydrophobicContact CE-CG2 3.97Å; M477-Y482 VanDerWaalsContact CB-O 3.31Å; M477-Y482 WeakPolarHBondContact CB-O 3.19Å; M477-K483 WeakPolarHBondContact O-CA 3.41Å; M477-G484 PolarHBondContact O-N 3.03Å; M477-L485 PolarHBondContact N-O 3.22Å; M477-V487 HydrophobicContact SD-CG2 4.05Å; M477-V490 HydrophobicContact CG-CG2 3.68Å; M477-V490 HydrophobicContact SD-CG2 4.04Å; M477-I494 HydrophobicContact CE-CD1 4.16Å |
| 478 | L | 94.6 | Very high | 90.6 | Very high | 56 Ų | 56 | 71 Ų | 71 | 29% | 0.293 | 34% | 0.337 | S | S | . | . | trans | -98.7 | -19.5 | 174.6 | -66.8 | 175.3 | 0 | 0 | 0 | 113 | P430 I431 E433 E480 | P430-L478 HydrophobicContact CB-CD1 4.26Å; I431-L478 PolarHBondContact O-N 3.32Å; E433-L478 HydrophobicContact CB-CD1 4.31Å; E433-L478 HydrophobicContact CB-CD2 3.98Å; E433-L478 HydrophobicContact CB-CG 4.16Å; L478-E480 PolarHBondContact O-N 3.12Å | ||
| 479 | V | 90.8 | Very high | 90.4 | Very high | 27 Ų | 27 | 71 Ų | 71 | 16% | 0.164 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -63.9 | 127.9 | -178.7 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | F296 I431 M477 K481 Y482 K483 | F296-V479 HydrophobicContact CB-CG2 3.74Å; F296-V479 HydrophobicContact CD1-CG1 3.62Å; F296-V479 HydrophobicContact CD1-CG2 4.24Å; F296-V479 HydrophobicContact CD2-CB 4.48Å; F296-V479 HydrophobicContact CD2-CG1 4.23Å; F296-V479 HydrophobicContact CD2-CG2 3.87Å; F296-V479 HydrophobicContact CE1-CG1 3.68Å; F296-V479 HydrophobicContact CE2-CG1 4.28Å; F296-V479 HydrophobicContact CG-CB 4.39Å; F296-V479 HydrophobicContact CG-CG1 3.91Å; F296-V479 HydrophobicContact CG-CG2 3.68Å; F296-V479 HydrophobicContact CZ-CG1 4.02Å; I431-V479 HydrophobicContact CB-CG2 4.15Å; I431-V479 HydrophobicContact CG2-CG2 4.11Å; M477-V479 HydrophobicContact CE-CB 4.27Å; M477-V479 HydrophobicContact CE-CG2 3.97Å; V479-K481 VanDerWaalsContact C-N 3.29Å; V479-K481 PolarHBondContact O-N 2.94Å; V479-K481 VanDerWaalsContact O-N 3.08Å; V479-Y482 CarbonylContact O-C 3.6Å; V479-Y482 PolarHBondContact O-N 2.92Å; V479-K483 WeakPolarHBondContact O-CA 3.5Å; V479-K483 WeakPolarHBondContact O-CB 3.39Å; V479-K483 PolarHBondContact O-N 3.01Å |
| 480 | E | 83.3 | Confident | 90.5 | Very high | 182 Ų | 182 | 63.1 Ų | 63.1 | 85% | 0.85 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -47.6 | -45.2 | -170.3 | -67.2 | -169.1 | 156 | 0 | 0 | 114.5 | L478 Y482 K483 | L478-E480 PolarHBondContact O-N 3.12Å; E480-Y482 PolarHBondContact O-N 2.93Å; E480-K483 PolarHBondContact O-N 3.44Å |
| 481 | K | 86.9 | Confident | 90.7 | Very high | 129 Ų | 129 | 64.9 Ų | 64.9 | 56% | 0.561 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -61.3 | -28.4 | -179.6 | -172.6 | 177.5 | 178.2 | -168 | 0 | 113.8 | V479 | V479-K481 VanDerWaalsContact C-N 3.29Å; V479-K481 PolarHBondContact O-N 2.94Å; V479-K481 VanDerWaalsContact O-N 3.08Å |
| 482 | Y | 91.9 | Very high | 90.8 | Very high | 21 Ų | 21 | 69.8 Ų | 69.8 | 8% | 0.082 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -123.4 | 11.8 | -175.1 | -61.3 | -71.7 | 0 | 0 | 0 | 112.9 | F296 M477 V479 E480 G484 L485 V490 I494 Q497 | F296-Y482 HydrophobicContact CE2-CD2 4.23Å; F296-Y482 HydrophobicContact CE2-CE2 4.27Å; F296-Y482 HydrophobicContact CZ-CD2 4.14Å; F296-Y482 AromaticContact CZ-CE2 3.94Å; F296-Y482 HydrophobicContact CZ-CE2 3.94Å; M477-Y482 VanDerWaalsContact CB-O 3.31Å; M477-Y482 WeakPolarHBondContact CB-O 3.19Å; V479-Y482 CarbonylContact O-C 3.6Å; V479-Y482 PolarHBondContact O-N 2.92Å; E480-Y482 PolarHBondContact O-N 2.93Å; Y482-G484 PolarHBondContact O-N 2.63Å; Y482-L485 HydrophobicContact CD1-CD1 4.34Å; Y482-L485 WeakPolarHBondContact O-CB 3.42Å; Y482-L485 WeakPolarHBondContact O-CG 3.38Å; Y482-L485 PolarHBondContact O-N 3.11Å; Y482-L485 VanDerWaalsContact O-N 3.12Å; Y482-V490 HydrophobicContact CD1-CB 4.4Å; Y482-V490 HydrophobicContact CD1-CG1 4.05Å; Y482-I494 HydrophobicContact CD2-CD1 4.02Å; Y482-I494 HydrophobicContact CD2-CG1 4.13Å; Y482-I494 HydrophobicContact CE1-CG1 4.24Å; Y482-I494 HydrophobicContact CE2-CD1 4.08Å; Y482-I494 HydrophobicContact CE2-CG1 3.68Å; Y482-I494 HydrophobicContact CG-CD1 4.39Å; Y482-Q497 PolarHBondContact OH-OE1 3.27Å |
| 483 | K | 93.4 | Very high | 91 | Very high | 144 Ų | 144 | 71.8 Ų | 71.8 | 63% | 0.626 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 131.4 | -167 | -172.5 | 173.7 | -179.2 | 174.7 | 0 | 111.6 | M477 V479 E480 L485 | M477-K483 WeakPolarHBondContact O-CA 3.41Å; V479-K483 WeakPolarHBondContact O-CA 3.5Å; V479-K483 WeakPolarHBondContact O-CB 3.39Å; V479-K483 PolarHBondContact O-N 3.01Å; E480-K483 PolarHBondContact O-N 3.44Å; K483-L485 VanDerWaalsContact C-N 3.31Å; K483-L485 PolarHBondContact O-N 2.88Å |
| 484 | G | 91.3 | Very high | 91.4 | Very high | 53 Ų | 53 | 65.2 Ų | 65.2 | 55% | 0.546 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -7.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | I476 M477 Y482 | I476-G484 VanDerWaalsContact CG2-CA 3.48Å; M477-G484 PolarHBondContact O-N 3.03Å; Y482-G484 PolarHBondContact O-N 2.63Å |
| 485 | L | 94 | Very high | 91.6 | Very high | 87 Ų | 87 | 61.5 Ų | 61.5 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | trans | -84.4 | 149.9 | 176.5 | -59.1 | 178 | 0 | 0 | 0 | 111.8 | I476 M477 Y482 K483 V490 | I476-L485 WeakPolarHBondContact CA-O 3.47Å; M477-L485 PolarHBondContact N-O 3.22Å; Y482-L485 HydrophobicContact CD1-CD1 4.34Å; Y482-L485 WeakPolarHBondContact O-CB 3.42Å; Y482-L485 WeakPolarHBondContact O-CG 3.38Å; Y482-L485 PolarHBondContact O-N 3.11Å; Y482-L485 VanDerWaalsContact O-N 3.12Å; K483-L485 VanDerWaalsContact C-N 3.31Å; K483-L485 PolarHBondContact O-N 2.88Å; L485-V490 HydrophobicContact CB-CG1 3.62Å; L485-V490 HydrophobicContact CD1-CG1 3.73Å; L485-V490 HydrophobicContact CG-CG1 4.35Å | ||
| 486 | K | 92.4 | Very high | 91.7 | Very high | 111 Ų | 111 | 64.1 Ų | 64.1 | 48% | 0.483 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -71.4 | 139.1 | 175.1 | -70.6 | -165.1 | 174.2 | -163.7 | 0 | 111.7 | G475 N488 S489 V490 | G475-K486 WeakPolarHBondContact O-CA 3.45Å; K486-N488 WeakPolarHBondContact CB-OD1 3.06Å; K486-N488 PolarHBondContact O-N 2.87Å; K486-S489 WeakPolarHBondContact O-CB 3.34Å; K486-S489 PolarHBondContact O-N 3.36Å; K486-V490 PolarHBondContact O-N 3.35Å |
| 487 | V | 91.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -53 | -48.5 | -180 | 162.6 | 0 | 0 | 0 | 0 | 112.7 | E293 I432 G471 F472 G475 M477 S489 V490 K491 | E293-V487 HydrophobicContact CG-CG1 3.93Å; I432-V487 HydrophobicContact CD1-CG2 3.76Å; I432-V487 HydrophobicContact CG1-CG2 3.97Å; I432-V487 HydrophobicContact CG2-CG2 3.89Å; G471-V487 WeakPolarHBondContact O-CB 3.41Å; G471-V487 WeakPolarHBondContact O-CG2 3.48Å; F472-V487 HydrophobicContact CD2-CG1 3.91Å; G475-V487 WeakPolarHBondContact O-CG2 3.48Å; G475-V487 PolarHBondContact O-N 3.32Å; M477-V487 HydrophobicContact SD-CG2 4.05Å; V487-S489 PolarHBondContact O-N 3.17Å; V487-S489 VanDerWaalsContact O-N 3.11Å; V487-V490 WeakPolarHBondContact O-CG2 3.5Å; V487-V490 PolarHBondContact O-N 3.31Å; V487-V490 VanDerWaalsContact O-N 3.16Å; V487-K491 PolarHBondContact O-N 3.41Å |
| 488 | N | 86.4 | Confident | 91.7 | Very high | 66 Ų | 66 | 62.8 Ų | 62.8 | 35% | 0.353 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.5 | -26.7 | -179.9 | 67.1 | 6.6 | 0 | 0 | 0 | 114 | F472 K486 | F472-N488 HydrophobicContact CE1-CB 4.14Å; F472-N488 HydrophobicContact CE2-CB 4.15Å; F472-N488 HydrophobicContact CZ-CB 3.88Å; F472-N488 PolarHBondContact O-N 2.79Å; K486-N488 WeakPolarHBondContact CB-OD1 3.06Å; K486-N488 PolarHBondContact O-N 2.87Å |
| 489 | S | 86.3 | Confident | 91.7 | Very high | 76 Ų | 76 | 62.7 Ų | 62.7 | 53% | 0.531 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -86.6 | -26.8 | -176.5 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | K486 V487 | K486-S489 WeakPolarHBondContact O-CB 3.34Å; K486-S489 PolarHBondContact O-N 3.36Å; V487-S489 PolarHBondContact O-N 3.17Å; V487-S489 VanDerWaalsContact O-N 3.11Å |
| 490 | V | 92.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.006 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -98.7 | -18.9 | -177.5 | -60.2 | 0 | 0 | 0 | 0 | 114 | M477 Y482 L485 K486 V487 K492 L493 I494 | M477-V490 HydrophobicContact CG-CG2 3.68Å; M477-V490 HydrophobicContact SD-CG2 4.04Å; Y482-V490 HydrophobicContact CD1-CB 4.4Å; Y482-V490 HydrophobicContact CD1-CG1 4.05Å; L485-V490 HydrophobicContact CB-CG1 3.62Å; L485-V490 HydrophobicContact CD1-CG1 3.73Å; L485-V490 HydrophobicContact CG-CG1 4.35Å; K486-V490 PolarHBondContact O-N 3.35Å; V487-V490 WeakPolarHBondContact O-CG2 3.5Å; V487-V490 PolarHBondContact O-N 3.31Å; V487-V490 VanDerWaalsContact O-N 3.16Å; V490-K492 VanDerWaalsContact C-N 3.27Å; V490-K492 PolarHBondContact O-N 3.41Å; V490-L493 WeakPolarHBondContact O-CB 3.5Å; V490-L493 PolarHBondContact O-N 3.49Å; V490-I494 HydrophobicContact CB-CD1 4.02Å; V490-I494 HydrophobicContact CG2-CD1 3.9Å; V490-I494 WeakPolarHBondContact O-CG1 3.34Å; V490-I494 PolarHBondContact O-N 3.25Å |
| 491 | K | 92.1 | Very high | 92.5 | Very high | 63 Ų | 63 | 64 Ų | 64 | 27% | 0.274 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -48.4 | -49.4 | -177.9 | 172.2 | 174.6 | 175.2 | 178.6 | 0 | 112.4 | L290 P292 E293 F472 V487 Q495 | L290-K491 WeakPolarHBondContact O-CE 3.42Å; L290-K491 PolarHBondContact O-NZ 2.94Å; P292-K491 HydrophobicContact CG-CG 4.15Å; E293-K491 WeakPolarHBondContact OE2-CG 3.48Å; F472-K491 HydrophobicContact CE2-CD 3.73Å; V487-K491 PolarHBondContact O-N 3.41Å; K491-Q495 WeakPolarHBondContact O-CB 3.4Å; K491-Q495 PolarHBondContact O-N 3.08Å; K491-Q495 VanDerWaalsContact O-N 3.08Å |
| 492 | K | 90.3 | Very high | 92.8 | Very high | 103 Ų | 103 | 62 Ų | 62 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.5 | -43.1 | -179.9 | -172.8 | 49.7 | 172.7 | 160.1 | 0 | 112 | V490 I494 Q495 D496 | V490-K492 VanDerWaalsContact C-N 3.27Å; V490-K492 PolarHBondContact O-N 3.41Å; K492-I494 VanDerWaalsContact C-N 3.31Å; K492-I494 PolarHBondContact O-N 3.13Å; K492-Q495 WeakPolarHBondContact O-CB 3.34Å; K492-Q495 PolarHBondContact O-N 3.22Å; K492-D496 WeakPolarHBondContact CE-OD1 3.42Å; K492-D496 WeakPolarHBondContact CE-OD2 3.43Å; K492-D496 WeakPolarHBondContact CG-OD2 3.47Å; K492-D496 IonicContact NZ-OD1 3.12Å; K492-D496 PolarHBondContact NZ-OD1 2.92Å; K492-D496 IonicContact NZ-OD2 2.98Å; K492-D496 WeakPolarHBondContact O-CB 3.31Å; K492-D496 PolarHBondContact O-N 3.01Å |
| 493 | L | 92.3 | Very high | 93.1 | Very high | 99 Ų | 99 | 63.9 Ų | 63.9 | 52% | 0.518 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.2 | -41.5 | 177.5 | -61.5 | 176.3 | 0 | 0 | 0 | 112.7 | V490 Q497 | V490-L493 WeakPolarHBondContact O-CB 3.5Å; V490-L493 PolarHBondContact O-N 3.49Å; L493-Q497 WeakPolarHBondContact O-CB 3.48Å; L493-Q497 PolarHBondContact O-N 3.39Å |
| 494 | I | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.2 | -40.7 | 179.2 | -64.9 | 164.3 | 0 | 0 | 0 | 110.7 | P292 E293 F296 L365 M477 Y482 V490 K492 D496 Q497 L498 | P292-I494 WeakPolarHBondContact O-CG2 3.44Å; E293-I494 HydrophobicContact CB-CD1 3.91Å; F296-I494 HydrophobicContact CE2-CD1 4.13Å; F296-I494 HydrophobicContact CE2-CG2 4.37Å; L365-I494 HydrophobicContact CD1-CG2 4.14Å; M477-I494 HydrophobicContact CE-CD1 4.16Å; Y482-I494 HydrophobicContact CD2-CD1 4.02Å; Y482-I494 HydrophobicContact CD2-CG1 4.13Å; Y482-I494 HydrophobicContact CE1-CG1 4.24Å; Y482-I494 HydrophobicContact CE2-CD1 4.08Å; Y482-I494 HydrophobicContact CE2-CG1 3.68Å; Y482-I494 HydrophobicContact CG-CD1 4.39Å; V490-I494 HydrophobicContact CB-CD1 4.02Å; V490-I494 HydrophobicContact CG2-CD1 3.9Å; V490-I494 WeakPolarHBondContact O-CG1 3.34Å; V490-I494 PolarHBondContact O-N 3.25Å; K492-I494 VanDerWaalsContact C-N 3.31Å; K492-I494 PolarHBondContact O-N 3.13Å; I494-D496 VanDerWaalsContact C-N 3.35Å; I494-Q497 PolarHBondContact O-N 3.34Å; I494-L498 HydrophobicContact CG2-CD1 4.07Å; I494-L498 WeakPolarHBondContact O-CB 3.4Å; I494-L498 WeakPolarHBondContact O-CG 3.42Å; I494-L498 PolarHBondContact O-N 3.49Å |
| 495 | Q | 95.9 | Very high | 93.5 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.028 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.2 | -49.4 | 173.1 | -176.5 | -172.7 | 56.4 | 0 | 0 | 111 | E257 T259 P292 K491 K492 Q497 L498 V499 I506 | E257-Q495 PolarHBondContact OE1-NE2 3.17Å; E257-Q495 PolarHBondContact OE1-OE1 2.83Å; T259-Q495 HydrophobicContact CG2-CG 4.18Å; T259-Q495 WeakPolarHBondContact OG1-CG 3.32Å; T259-Q495 PolarHBondContact OG1-NE2 3.42Å; P292-Q495 HydrophobicContact CB-CB 4.2Å; P292-Q495 HydrophobicContact CG-CB 3.84Å; P292-Q495 HydrophobicContact CG-CG 4.31Å; K491-Q495 WeakPolarHBondContact O-CB 3.4Å; K491-Q495 PolarHBondContact O-N 3.08Å; K491-Q495 VanDerWaalsContact O-N 3.08Å; K492-Q495 WeakPolarHBondContact O-CB 3.34Å; K492-Q495 PolarHBondContact O-N 3.22Å; Q495-Q497 PolarHBondContact O-N 3.22Å; Q495-L498 PolarHBondContact O-N 3.16Å; Q495-V499 WeakPolarHBondContact O-CG2 3.4Å; Q495-V499 PolarHBondContact O-N 2.86Å; Q495-I506 HydrophobicContact CG-CD1 3.73Å |
| 496 | D | 94.4 | Very high | 93.6 | Very high | 54 Ų | 54 | 52.8 Ų | 52.8 | 29% | 0.289 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | -178.7 | -65.8 | -22.2 | 0 | 0 | 0 | 110.8 | K492 I494 L498 V499 E500 | K492-D496 WeakPolarHBondContact CE-OD1 3.42Å; K492-D496 WeakPolarHBondContact CE-OD2 3.43Å; K492-D496 WeakPolarHBondContact CG-OD2 3.47Å; K492-D496 IonicContact NZ-OD1 3.12Å; K492-D496 PolarHBondContact NZ-OD1 2.92Å; K492-D496 IonicContact NZ-OD2 2.98Å; K492-D496 WeakPolarHBondContact O-CB 3.31Å; K492-D496 PolarHBondContact O-N 3.01Å; I494-D496 VanDerWaalsContact C-N 3.35Å; D496-L498 PolarHBondContact O-N 2.85Å; D496-V499 PolarHBondContact O-N 2.92Å; D496-E500 WeakPolarHBondContact O-CB 3.19Å; D496-E500 WeakPolarHBondContact O-CG 3.33Å; D496-E500 PolarHBondContact O-N 3.24Å |
| 497 | Q | 94.7 | Very high | 93.7 | Very high | 41 Ų | 41 | 47.5 Ų | 47.5 | 19% | 0.192 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.9 | -46.9 | 173.4 | -176.9 | -164 | -25.3 | 0 | 0 | 112.2 | Y482 L493 I494 Q495 V499 E500 T501 | Y482-Q497 PolarHBondContact OH-OE1 3.27Å; L493-Q497 WeakPolarHBondContact O-CB 3.48Å; L493-Q497 PolarHBondContact O-N 3.39Å; I494-Q497 PolarHBondContact O-N 3.34Å; Q495-Q497 PolarHBondContact O-N 3.22Å; Q497-V499 VanDerWaalsContact C-N 3.27Å; Q497-V499 PolarHBondContact O-N 3.44Å; Q497-E500 PolarHBondContact O-N 3.18Å; Q497-T501 HydrophobicContact CG-CG2 4.48Å; Q497-T501 WeakPolarHBondContact O-CB 3.48Å; Q497-T501 WeakPolarHBondContact O-CG2 3.43Å; Q497-T501 PolarHBondContact O-N 3.22Å; Q497-T501 PolarHBondContact O-OG1 3.13Å |
| 498 | L | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 179.9 | -78.1 | 166.3 | 0 | 0 | 0 | 111.6 | I261 P292 M295 P364 L365 I494 Q495 D496 T501 N502 D503 A504 | I261-L498 HydrophobicContact CD1-CD1 3.85Å; P292-L498 HydrophobicContact CB-CD1 4.33Å; M295-L498 HydrophobicContact CG-CD1 4.32Å; P364-L498 HydrophobicContact CB-CD2 3.95Å; L365-L498 HydrophobicContact CD1-CD1 4.13Å; L365-L498 HydrophobicContact CD1-CD2 3.66Å; L365-L498 HydrophobicContact CD1-CG 3.96Å; L365-L498 HydrophobicContact CG-CD2 3.89Å; I494-L498 HydrophobicContact CG2-CD1 4.07Å; I494-L498 WeakPolarHBondContact O-CB 3.4Å; I494-L498 WeakPolarHBondContact O-CG 3.42Å; I494-L498 PolarHBondContact O-N 3.49Å; Q495-L498 PolarHBondContact O-N 3.16Å; D496-L498 PolarHBondContact O-N 2.85Å; L498-T501 WeakPolarHBondContact CA-OG1 3.47Å; L498-T501 PolarHBondContact O-OG1 3.24Å; L498-N502 PolarHBondContact O-N 2.76Å; L498-D503 HydrophobicContact CD2-CB 3.94Å; L498-D503 CarbonylContact O-C 3.55Å; L498-D503 WeakPolarHBondContact O-CA 3.43Å; L498-D503 PolarHBondContact O-N 3.17Å; L498-A504 HydrophobicContact CB-CB 3.69Å; L498-A504 PolarHBondContact O-N 3.23Å |
| 499 | V | 95.4 | Very high | 94.2 | Very high | 53 Ų | 53 | 46.4 Ų | 46.4 | 32% | 0.321 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -71.4 | -45.4 | 176.2 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | Q495 D496 Q497 T501 N502 A504 I506 | Q495-V499 WeakPolarHBondContact O-CG2 3.4Å; Q495-V499 PolarHBondContact O-N 2.86Å; D496-V499 PolarHBondContact O-N 2.92Å; Q497-V499 VanDerWaalsContact C-N 3.27Å; Q497-V499 PolarHBondContact O-N 3.44Å; V499-T501 VanDerWaalsContact C-N 3.3Å; V499-T501 PolarHBondContact O-N 2.81Å; V499-N502 WeakPolarHBondContact O-CA 3.48Å; V499-N502 PolarHBondContact O-N 2.92Å; V499-A504 HydrophobicContact CG2-CB 4.28Å; V499-I506 HydrophobicContact CG2-CD1 3.72Å; V499-I506 HydrophobicContact CG2-CG1 3.9Å |
| 500 | E | 94.7 | Very high | 94.5 | Very high | 164 Ų | 164 | 42.9 Ų | 42.9 | 77% | 0.766 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -60.9 | -38.2 | 178.1 | -75.9 | 175.5 | -179.1 | 0 | 0 | 112.6 | D496 Q497 N502 | D496-E500 WeakPolarHBondContact O-CB 3.19Å; D496-E500 WeakPolarHBondContact O-CG 3.33Å; D496-E500 PolarHBondContact O-N 3.24Å; Q497-E500 PolarHBondContact O-N 3.18Å; E500-N502 PolarHBondContact O-N 3.19Å |
| 501 | T | 94.8 | Very high | 94.4 | Very high | 72 Ų | 72 | 47.4 Ų | 47.4 | 44% | 0.442 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 1.3 | 175.2 | 51.3 | 0 | 0 | 0 | 0 | 113.4 | Q497 L498 V499 D503 | Q497-T501 HydrophobicContact CG-CG2 4.48Å; Q497-T501 WeakPolarHBondContact O-CB 3.48Å; Q497-T501 WeakPolarHBondContact O-CG2 3.43Å; Q497-T501 PolarHBondContact O-N 3.22Å; Q497-T501 PolarHBondContact O-OG1 3.13Å; L498-T501 WeakPolarHBondContact CA-OG1 3.47Å; L498-T501 PolarHBondContact O-OG1 3.24Å; V499-T501 VanDerWaalsContact C-N 3.3Å; V499-T501 PolarHBondContact O-N 2.81Å; T501-D503 PolarHBondContact O-N 3.26Å |
| 502 | N | 94.4 | Very high | 94.2 | Very high | 88 Ų | 88 | 49 Ų | 49 | 47% | 0.471 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 19.7 | -177.9 | -163.2 | 34.8 | 0 | 0 | 0 | 114.1 | K262 Q317 L498 V499 E500 | K262-N502 WeakPolarHBondContact CD-O 3.17Å; K262-N502 WeakPolarHBondContact CE-O 3.5Å; K262-N502 VanDerWaalsContact NZ-CG 3.34Å; K262-N502 PolarHBondContact NZ-O 2.96Å; K262-N502 PolarHBondContact NZ-OD1 3.19Å; Q317-N502 PolarHBondContact OE1-OD1 2.87Å; Q317-N502 VanDerWaalsContact OE1-OD1 3.07Å; L498-N502 PolarHBondContact O-N 2.76Å; V499-N502 WeakPolarHBondContact O-CA 3.48Å; V499-N502 PolarHBondContact O-N 2.92Å; E500-N502 PolarHBondContact O-N 3.19Å |
| 503 | D | 96.9 | Very high | 94.3 | Very high | 60 Ų | 60 | 48.5 Ų | 48.5 | 32% | 0.321 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -86.1 | -14.3 | 176.1 | -80.6 | -28.5 | 0 | 0 | 0 | 112.5 | K262 P364 L498 T501 | K262-D503 VanDerWaalsContact CB-O 3.31Å; K262-D503 WeakPolarHBondContact CB-O 3.4Å; K262-D503 PolarHBondContact N-O 3.17Å; P364-D503 HydrophobicContact CB-CB 3.76Å; P364-D503 HydrophobicContact CG-CB 3.73Å; L498-D503 HydrophobicContact CD2-CB 3.94Å; L498-D503 CarbonylContact O-C 3.55Å; L498-D503 WeakPolarHBondContact O-CA 3.43Å; L498-D503 PolarHBondContact O-N 3.17Å; T501-D503 PolarHBondContact O-N 3.26Å |
| 504 | A | 97.7 | Very high | 94 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 163.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114 | T259 L260 I261 L498 V499 | T259-A504 HydrophobicContact CG2-CB 3.63Å; L260-A504 CarbonylContact O-C 3.53Å; L260-A504 WeakPolarHBondContact O-CA 3.29Å; L260-A504 WeakPolarHBondContact O-CB 3.5Å; I261-A504 HydrophobicContact CD1-CB 4.15Å; L498-A504 HydrophobicContact CB-CB 3.69Å; L498-A504 PolarHBondContact O-N 3.23Å; V499-A504 HydrophobicContact CG2-CB 4.28Å |
| 505 | I | 96.6 | Very high | 93.6 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 6% | 0.062 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 136.8 | 174.2 | -48.4 | 174.5 | 0 | 0 | 0 | 108.4 | L260 Q317 L321 I336 | L260-I505 HydrophobicContact CB-CB 4.24Å; L260-I505 PolarHBondContact N-O 3.18Å; L260-I505 PolarHBondContact O-N 3.11Å; Q317-I505 HydrophobicContact CG-CD1 3.82Å; L321-I505 HydrophobicContact CD1-CD1 4.14Å; I336-I505 HydrophobicContact CD1-CG2 3.93Å; I336-I505 HydrophobicContact CG1-CG2 3.99Å; I336-I505 HydrophobicContact CG2-CD1 3.99Å; I336-I505 HydrophobicContact CG2-CG2 4.05Å |
| 506 | I | 95.4 | Very high | 92.8 | Very high | 36 Ų | 36 | 45 Ų | 45 | 19% | 0.185 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 129.1 | 168.1 | -56 | -57 | 0 | 0 | 0 | 109 | E257 Q495 V499 Y508 | E257-I506 HydrophobicContact CG-CG2 3.94Å; Q495-I506 HydrophobicContact CG-CD1 3.73Å; V499-I506 HydrophobicContact CG2-CD1 3.72Å; V499-I506 HydrophobicContact CG2-CG1 3.9Å; I506-Y508 HydrophobicContact CG2-CD2 4.16Å; I506-Y508 HydrophobicContact CG2-CE2 3.47Å; I506-Y508 VanDerWaalsContact CG2-CE2 3.47Å |
| 507 | Y | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 142.5 | -176.9 | 165 | -97.5 | 0 | 0 | 0 | 109.5 | Y258 L260 N330 M331 I336 E509 | Y258-Y507 HydrophobicContact CD2-CD1 4.27Å; Y258-Y507 HydrophobicContact CD2-CE1 4.43Å; Y258-Y507 PolarHBondContact N-O 3.38Å; Y258-Y507 PolarHBondContact O-N 3.08Å; Y258-Y507 VanDerWaalsContact O-O 3.12Å; L260-Y507 HydrophobicContact CD1-CD2 4.12Å; L260-Y507 HydrophobicContact CD1-CG 3.84Å; L260-Y507 HydrophobicContact CD2-CD1 3.92Å; L260-Y507 HydrophobicContact CD2-CG 4Å; L260-Y507 VanDerWaalsContact CG-CB 3.45Å; L260-Y507 HydrophobicContact CG-CD1 4.44Å; L260-Y507 HydrophobicContact CG-CG 4.02Å; N330-Y507 HydrophobicContact CB-CE2 3.53Å; N330-Y507 WeakPolarHBondContact CB-OH 3.45Å; M331-Y507 HydrophobicContact CE-CD2 4.33Å; M331-Y507 HydrophobicContact CE-CE2 4.29Å; M331-Y507 HydrophobicContact CG-CD2 3.73Å; M331-Y507 HydrophobicContact CG-CE2 3.82Å; I336-Y507 HydrophobicContact CD1-CD2 4.21Å; Y507-E509 HydrophobicContact CE1-CB 3.82Å; Y507-E509 HydrophobicContact CE1-CG 3.85Å; Y507-E509 PolarHBondContact OH-OE2 3Å |
| 508 | Y | 94.6 | Very high | 90.2 | Very high | 39 Ų | 39 | 48 Ų | 48 | 15% | 0.153 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 150.7 | 173.4 | -68 | -105.3 | 0 | 0 | 0 | 111 | Y231 P255 Q256 E257 Q334 I506 | Y231-Y508 AromaticContact CD1-CD2 3.6Å; Y231-Y508 HydrophobicContact CD1-CD2 3.6Å; Y231-Y508 HydrophobicContact CD1-CE2 4.18Å; Y231-Y508 AromaticContact CD1-CG 3.88Å; Y231-Y508 HydrophobicContact CD1-CG 3.88Å; Y231-Y508 HydrophobicContact CD2-CD1 4.24Å; Y231-Y508 AromaticContact CD2-CD2 3.63Å; Y231-Y508 HydrophobicContact CD2-CD2 3.63Å; Y231-Y508 AromaticContact CD2-CE1 3.99Å; Y231-Y508 HydrophobicContact CD2-CE1 3.99Å; Y231-Y508 AromaticContact CD2-CE2 3.36Å; Y231-Y508 HydrophobicContact CD2-CE2 3.36Å; Y231-Y508 HydrophobicContact CD2-CG 4.07Å; Y231-Y508 AromaticContact CD2-CZ 3.55Å; Y231-Y508 AromaticContact CE1-CD2 3.44Å; Y231-Y508 HydrophobicContact CE1-CD2 3.44Å; Y231-Y508 VanDerWaalsContact CE1-CD2 3.44Å; Y231-Y508 AromaticContact CE1-CE2 3.91Å; Y231-Y508 HydrophobicContact CE1-CE2 3.91Å; Y231-Y508 HydrophobicContact CE1-CG 4.19Å; Y231-Y508 AromaticContact CE2-CD2 3.5Å; Y231-Y508 HydrophobicContact CE2-CD2 3.5Å; Y231-Y508 HydrophobicContact CE2-CE1 4.46Å; Y231-Y508 AromaticContact CE2-CE2 3.03Å; Y231-Y508 HydrophobicContact CE2-CE2 3.03Å; Y231-Y508 HydrophobicContact CE2-CG 4.39Å; Y231-Y508 AromaticContact CE2-CZ 3.6Å; Y231-Y508 HydrophobicContact CG-CD1 4.15Å; Y231-Y508 AromaticContact CG-CD2 3.67Å; Y231-Y508 HydrophobicContact CG-CD2 3.67Å; Y231-Y508 HydrophobicContact CG-CE1 4.36Å; Y231-Y508 AromaticContact CG-CE2 3.92Å; Y231-Y508 HydrophobicContact CG-CE2 3.92Å; Y231-Y508 AromaticContact CG-CG 3.8Å; Y231-Y508 HydrophobicContact CG-CG 3.8Å; Y231-Y508 AromaticContact CZ-CD2 3.39Å; Y231-Y508 AromaticContact CZ-CE2 3.33Å; P255-Y508 HydrophobicContact CB-CD1 3.98Å; Q256-Y508 VanDerWaalsContact O-CA 3.27Å; Q256-Y508 WeakPolarHBondContact O-CA 3.38Å; E257-Y508 HydrophobicContact CB-CD1 3.94Å; E257-Y508 HydrophobicContact CB-CE1 3.46Å; E257-Y508 VanDerWaalsContact CB-CE1 3.46Å; E257-Y508 HydrophobicContact CB-CE2 4.46Å; E257-Y508 HydrophobicContact CG-CD1 4.49Å; E257-Y508 HydrophobicContact CG-CE1 3.9Å; E257-Y508 HydrophobicContact CG-CE2 4.02Å; E257-Y508 VanDerWaalsContact OE2-CZ 3.31Å; E257-Y508 PolarHBondContact OE2-OH 3.16Å; Q334-Y508 PolarHBondContact NE2-O 2.92Å; I506-Y508 HydrophobicContact CG2-CD2 4.16Å; I506-Y508 HydrophobicContact CG2-CE2 3.47Å; I506-Y508 VanDerWaalsContact CG2-CE2 3.47Å |
| 509 | E | 94.1 | Very high | 89.1 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.019 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 164.4 | 165.7 | 61 | 176.9 | -159 | 0 | 0 | 109.8 | Q256 Y258 R326 G385 Y507 E511 V524 | Q256-E509 PolarHBondContact N-O 2.94Å; Q256-E509 PolarHBondContact O-N 3.12Å; Q256-E509 VanDerWaalsContact O-N 3.09Å; Y258-E509 HydrophobicContact CD2-CG 4.04Å; Y258-E509 HydrophobicContact CE2-CG 3.63Å; Y258-E509 WeakPolarHBondContact CE2-OE1 3.41Å; R326-E509 IonicContact NH1-OE2 3.02Å; R326-E509 PolarHBondContact NH1-OE2 3.23Å; G385-E509 PolarHBondContact N-OE1 3.11Å; G385-E509 PolarHBondContact N-OE2 2.92Å; Y507-E509 HydrophobicContact CE1-CB 3.82Å; Y507-E509 HydrophobicContact CE1-CG 3.85Å; Y507-E509 PolarHBondContact OH-OE2 3Å; E509-E511 PolarHBondContact O-N 3.09Å; E509-V524 VanDerWaalsContact C-CG2 3.43Å |
| 510 | P | 92.7 | Very high | 88.5 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.013 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 131.6 | 172.5 | -23.1 | 35.6 | 0 | 0 | 0 | 110.2 | I233 V253 N512 V514 A522 V524 | I233-P510 HydrophobicContact CD1-CB 3.91Å; I233-P510 HydrophobicContact CD1-CG 3.92Å; V253-P510 HydrophobicContact CG1-CB 4.18Å; P510-N512 WeakPolarHBondContact CB-O 2.94Å; P510-N512 PolarHBondContact O-N 2.85Å; P510-V514 HydrophobicContact CB-CG2 3.98Å; P510-A522 WeakPolarHBondContact CG-O 2.89Å; P510-V524 HydrophobicContact CG-CG2 4.16Å |
| 511 | E | 88.8 | Confident | 88.2 | Confident | 96 Ų | 96 | 47 Ų | 47 | 45% | 0.449 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -54.8 | -38.7 | -179.9 | -174.1 | -166.2 | 165 | 0 | 0 | 112 | V253 V254 Q256 E509 | V253-E511 HydrophobicContact CG1-CB 4.14Å; V254-E511 WeakPolarHBondContact O-CB 3.23Å; V254-E511 PolarHBondContact O-N 3.45Å; Q256-E511 HydrophobicContact CB-CB 4.06Å; Q256-E511 HydrophobicContact CB-CG 4.45Å; E509-E511 PolarHBondContact O-N 3.09Å |
| 512 | N | 89.2 | Confident | 88 | Confident | 97 Ų | 97 | 43.6 Ų | 43.6 | 52% | 0.519 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -132.4 | 168.3 | 173.4 | -70.1 | -64.7 | 0 | 0 | 0 | 110 | V253 P510 V514 | V253-N512 HydrophobicContact CG1-CB 4.42Å; V253-N512 HydrophobicContact CG2-CB 3.95Å; P510-N512 WeakPolarHBondContact CB-O 2.94Å; P510-N512 PolarHBondContact O-N 2.85Å; N512-V514 PolarHBondContact O-N 2.86Å |
| 513 | L | 91.1 | Very high | 88 | Confident | 92 Ų | 92 | 39.8 Ų | 39.8 | 48% | 0.482 | 22% | 0.217 | S | C | . | . | trans | -54.8 | 123.6 | 178 | 178.3 | 66.5 | 0 | 0 | 0 | 110.8 | V515 E521 | L513-V515 HydrophobicContact CD1-CG2 4.2Å; L513-V515 HydrophobicContact CD2-CG2 4.03Å; L513-V515 HydrophobicContact CG-CG2 3.91Å; L513-E521 HydrophobicContact CD1-CB 4.4Å; L513-E521 HydrophobicContact CD1-CG 3.73Å | ||
| 514 | V | 87.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -114.1 | 124.6 | 170.6 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | I233 R247 V249 V253 P510 N512 E521 A522 | I233-V514 HydrophobicContact CG2-CB 4.38Å; I233-V514 HydrophobicContact CG2-CG1 3.9Å; I233-V514 HydrophobicContact CG2-CG2 4.46Å; R247-V514 HydrophobicContact CB-CG1 4.45Å; R247-V514 HydrophobicContact CG-CG1 3.82Å; V249-V514 WeakPolarHBondContact O-CA 3.49Å; V253-V514 HydrophobicContact CB-CG2 3.62Å; V253-V514 HydrophobicContact CG1-CG2 3.55Å; V253-V514 HydrophobicContact CG2-CG2 4.17Å; P510-V514 HydrophobicContact CB-CG2 3.98Å; N512-V514 PolarHBondContact O-N 2.86Å; V514-E521 WeakPolarHBondContact O-CA 3.22Å; V514-A522 HydrophobicContact CB-CB 3.96Å; V514-A522 HydrophobicContact CG1-CB 3.78Å; V514-A522 PolarHBondContact O-N 3.41Å | ||
| 515 | V | 85.5 | Confident | 87.4 | Confident | 29 Ų | 29 | 37 Ų | 37 | 18% | 0.176 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123.9 | 177.2 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | T248 V249 L513 D520 | T248-V515 PolarHBondContact N-O 2.93Å; V249-V515 HydrophobicContact CB-CB 3.99Å; V249-V515 HydrophobicContact CB-CG2 4Å; V249-V515 HydrophobicContact CG2-CB 4.23Å; V249-V515 HydrophobicContact CG2-CG2 4.25Å; V249-V515 PolarHBondContact N-O 2.85Å; V249-V515 PolarHBondContact O-N 3.27Å; L513-V515 HydrophobicContact CD1-CG2 4.2Å; L513-V515 HydrophobicContact CD2-CG2 4.03Å; L513-V515 HydrophobicContact CG-CG2 3.91Å; V515-D520 WeakPolarHBondContact CA-O 3.34Å |
| 516 | T | 79.4 | Confident | 86.8 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 163 | 177.1 | 72.8 | 0 | 0 | 0 | 0 | 110.4 | T248 G518 G519 D520 A522 | T248-T516 PolarHBondContact OG1-O 2.97Å; T516-G518 PolarHBondContact O-N 3.21Å; T516-G518 VanDerWaalsContact O-N 3.13Å; T516-G518 PolarHBondContact OG1-N 3.14Å; T516-G519 PolarHBondContact O-N 3.08Å; T516-D520 PolarHBondContact N-O 3.17Å; T516-D520 PolarHBondContact OG1-N 2.93Å; T516-D520 PolarHBondContact OG1-O 2.86Å; T516-A522 HydrophobicContact CG2-CB 4.13Å |
| 517 | R | 67.9 | Low | 86.1 | Confident | 127 Ų | 127 | 38.3 Ų | 38.3 | 48% | 0.479 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -13.4 | 168.7 | -81.1 | 177.2 | -171.7 | -154.2 | 10.2 | 114.4 | H245 E246 T248 G519 | H245-R517 PolarHBondContact O-NH2 3.34Å; H245-R517 VanDerWaalsContact O-NH2 3.09Å; E246-R517 VanDerWaalsContact O-CG 3.3Å; E246-R517 WeakPolarHBondContact O-CG 3.44Å; E246-R517 PolarHBondContact O-N 3.25Å; T248-R517 WeakPolarHBondContact OG1-CA 3.21Å; R517-G519 VanDerWaalsContact C-N 3.25Å |
| 518 | G | 66 | Low | 85.5 | Confident | 32 Ų | 32 | 41.7 Ų | 41.7 | 33% | 0.33 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -16.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R237 T516 | R237-G518 PolarHBondContact NH1-O 2.94Å; T516-G518 PolarHBondContact O-N 3.21Å; T516-G518 VanDerWaalsContact O-N 3.13Å; T516-G518 PolarHBondContact OG1-N 3.14Å |
| 519 | G | 73.3 | Confident | 85.1 | Confident | 59 Ų | 59 | 40 Ų | 40 | 61% | 0.608 | 22% | 0.222 | S | C | * | . | S | Bend | trans | 93.9 | -0.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | T516 R517 | T516-G519 PolarHBondContact O-N 3.08Å; R517-G519 VanDerWaalsContact C-N 3.25Å |
| 520 | D | 82.3 | Confident | 84.9 | Confident | 61 Ų | 61 | 41.5 Ų | 41.5 | 33% | 0.326 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -92.9 | 147.8 | -176.2 | -52 | -87 | 0 | 0 | 0 | 111.7 | R237 V515 T516 | R237-D520 WeakPolarHBondContact CD-OD2 3.37Å; R237-D520 IonicContact CZ-OD2 3.78Å; R237-D520 IonicContact NE-OD2 3.71Å; R237-D520 IonicContact NH1-OD2 2.86Å; R237-D520 PolarHBondContact NH1-OD2 3.13Å; V515-D520 WeakPolarHBondContact CA-O 3.34Å; T516-D520 PolarHBondContact N-O 3.17Å; T516-D520 PolarHBondContact OG1-N 2.93Å; T516-D520 PolarHBondContact OG1-O 2.86Å |
| 521 | E | 88.9 | Confident | 84.8 | Confident | 75 Ų | 75 | 42 Ų | 42 | 35% | 0.35 | 23% | 0.23 | S | C | . | . | B | Isolated β-bridge | trans | -69.8 | 129.2 | 171.3 | -177.2 | 173.2 | -178.5 | 0 | 0 | 110.1 | R326 L513 V514 | R326-E521 IonicContact CZ-OE1 3.56Å; R326-E521 VanDerWaalsContact CZ-OE1 3.23Å; R326-E521 IonicContact NE-OE1 3.26Å; R326-E521 PolarHBondContact NE-OE1 2.88Å; R326-E521 IonicContact NE-OE2 2.8Å; R326-E521 IonicContact NH2-OE1 3.7Å; R326-E521 PolarHBondContact NH2-OE1 3.33Å; L513-E521 HydrophobicContact CD1-CB 4.4Å; L513-E521 HydrophobicContact CD1-CG 3.73Å; V514-E521 WeakPolarHBondContact O-CA 3.22Å |
| 522 | A | 91.4 | Very high | 85.1 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -76.8 | 151.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I233 F234 P510 V514 T516 | I233-A522 HydrophobicContact CG2-CB 3.69Å; F234-A522 WeakPolarHBondContact O-CA 3.22Å; P510-A522 WeakPolarHBondContact CG-O 2.89Å; V514-A522 HydrophobicContact CB-CB 3.96Å; V514-A522 HydrophobicContact CG1-CB 3.78Å; V514-A522 PolarHBondContact O-N 3.41Å; T516-A522 HydrophobicContact CG2-CB 4.13Å |
| 523 | V | 93 | Very high | 85.4 | Confident | 8 Ų | 8 | 34.5 Ų | 34.5 | 5% | 0.048 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 170.4 | 173.3 | -64.3 | 0 | 0 | 0 | 0 | 110 | I233 F234 A236 Q329 N330 Y333 | I233-V523 CarbonylContact C-O 3.58Å; F234-V523 HydrophobicContact CB-CG2 4.18Å; F234-V523 HydrophobicContact CD1-CG2 4.09Å; F234-V523 PolarHBondContact N-O 3Å; F234-V523 PolarHBondContact O-N 3.08Å; A236-V523 HydrophobicContact CB-CG2 4.14Å; Q329-V523 HydrophobicContact CG-CG1 3.97Å; N330-V523 WeakPolarHBondContact OD1-CA 3.35Å; N330-V523 WeakPolarHBondContact OD1-CB 3.02Å; Y333-V523 HydrophobicContact CD2-CG2 3.74Å; Y333-V523 HydrophobicContact CE2-CG2 4.23Å; Y333-V523 HydrophobicContact CG-CG2 4Å |
| 524 | V | 92.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.5 | 164.1 | 175.3 | 0 | 0 | 0 | 0 | 109 | Y231 T232 I233 P255 N330 Q334 E509 P510 | Y231-V524 HydrophobicContact CD1-CG1 3.84Å; Y231-V524 HydrophobicContact CG-CG1 4.21Å; T232-V524 WeakPolarHBondContact O-CA 3.19Å; I233-V524 HydrophobicContact CD1-CG2 3.92Å; P255-V524 HydrophobicContact CB-CG1 4.01Å; P255-V524 HydrophobicContact CB-CG2 3.81Å; P255-V524 HydrophobicContact CG-CG1 4.21Å; P255-V524 HydrophobicContact CG-CG2 4.04Å; N330-V524 PolarHBondContact OD1-N 3.15Å; Q334-V524 WeakPolarHBondContact CG-O 3.41Å; Q334-V524 PolarHBondContact NE2-O 3.17Å; E509-V524 VanDerWaalsContact C-CG2 3.43Å; P510-V524 HydrophobicContact CG-CG2 4.16Å |
| 525 | A | 89.6 | Confident | 85.8 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 151.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y231 T232 F234 Y333 C527 | Y231-A525 CarbonylContact C-O 3.54Å; Y231-A525 WeakPolarHBondContact CA-O 3.5Å; T232-A525 PolarHBondContact N-O 3.47Å; T232-A525 PolarHBondContact O-N 2.73Å; F234-A525 HydrophobicContact CB-CB 3.55Å; F234-A525 HydrophobicContact CD1-CB 4.03Å; F234-A525 HydrophobicContact CD2-CB 3.72Å; F234-A525 HydrophobicContact CE2-CB 4.38Å; F234-A525 HydrophobicContact CG-CB 3.51Å; Y333-A525 HydrophobicContact CD1-CB 4.47Å; Y333-A525 HydrophobicContact CG-CB 4.5Å; A525-C527 PolarHBondContact O-N 3.49Å |
| 526 | L | 85 | Confident | 86.2 | Confident | 59 Ų | 59 | 30.6 Ų | 30.6 | 31% | 0.309 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 96 | 174.1 | -174 | 64.5 | 0 | 0 | 0 | 109.5 | K229 R230 Y231 Y333 | K229-L526 HydrophobicContact CB-CD1 3.84Å; K229-L526 HydrophobicContact CB-CD2 4.41Å; K229-L526 HydrophobicContact CB-CG 3.93Å; K229-L526 HydrophobicContact CD-CD2 4.25Å; K229-L526 HydrophobicContact CD-CG 4.28Å; R230-L526 CarbonylContact O-C 3.51Å; R230-L526 WeakPolarHBondContact O-CA 3.35Å; Y231-L526 HydrophobicContact CD1-CB 4.29Å; Y231-L526 HydrophobicContact CD1-CD1 4.09Å; Y231-L526 HydrophobicContact CD2-CD1 4.17Å; Y231-L526 HydrophobicContact CE1-CB 4.14Å; Y231-L526 HydrophobicContact CE1-CD1 4.03Å; Y231-L526 HydrophobicContact CE1-CG 4.5Å; Y231-L526 HydrophobicContact CE2-CD1 4.08Å; Y231-L526 HydrophobicContact CG-CD1 4.18Å; Y333-L526 PolarHBondContact O-N 3.3Å |
| 527 | C | 81.2 | Confident | 86.9 | Confident | 18 Ų | 18 | 36.9 Ų | 36.9 | 12% | 0.122 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 138.5 | -171.7 | -60.4 | 0 | 0 | 0 | 0 | 112 | K229 R230 F234 P241 A525 Q529 | K229-C527 CarbonylContact C-O 3.58Å; K229-C527 WeakPolarHBondContact CA-O 3.22Å; R230-C527 PolarHBondContact N-O 2.98Å; R230-C527 PolarHBondContact O-N 3.48Å; F234-C527 VanDerWaalsContact CD2-SG 3.59Å; P241-C527 HydrophobicContact CG-CB 4.49Å; A525-C527 PolarHBondContact O-N 3.49Å; C527-Q529 PolarHBondContact O-N 2.71Å |
| 528 | D | 82.8 | Confident | 88.2 | Confident | 70 Ų | 70 | 38 Ų | 38 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 122.1 | 165 | -67.1 | -62.7 | 0 | 0 | 0 | 109.3 | Y227 K229 W588 | Y227-D528 HydrophobicContact CE1-CB 4.49Å; Y227-D528 WeakPolarHBondContact OH-CB 3.13Å; K229-D528 WeakPolarHBondContact CE-OD1 3.18Å; K229-D528 WeakPolarHBondContact CE-OD2 3.26Å; K229-D528 WeakPolarHBondContact CG-OD1 3.21Å; D528-W588 WeakPolarHBondContact O-CH2 3.19Å; D528-W588 WeakPolarHBondContact O-CZ2 3.36Å |
| 529 | Q | 84.6 | Confident | 89.7 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 152.1 | -175.2 | -159.8 | 167.1 | 13.1 | 0 | 0 | 112 | G228 C527 A571 S573 W588 | G228-Q529 PolarHBondContact N-O 3.07Å; G228-Q529 PolarHBondContact O-N 3.42Å; G228-Q529 VanDerWaalsContact O-N 3.11Å; C527-Q529 PolarHBondContact O-N 2.71Å; Q529-A571 HydrophobicContact CG-CB 4.33Å; Q529-S573 WeakPolarHBondContact CG-OG 3.42Å; Q529-S573 PolarHBondContact NE2-O 3.02Å; Q529-W588 HydrophobicContact CG-CH2 4.49Å; Q529-W588 HydrophobicContact CG-CZ3 4.11Å |
| 530 | W | 91.6 | Very high | 90.9 | Very high | 37 Ų | 37 | 34 Ų | 34 | 14% | 0.14 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 136.3 | 168.3 | -63.1 | 93 | 0 | 0 | 0 | 110.7 | I225 Q226 Y227 C572 S573 L582 W584 D585 W588 | I225-W530 HydrophobicContact CG2-CE3 3.69Å; I225-W530 HydrophobicContact CG2-CZ3 4.31Å; Q226-W530 WeakPolarHBondContact O-CA 3.48Å; Y227-W530 AromaticContact CD2-CD1 3.8Å; Y227-W530 AromaticContact CD2-CD2 3.62Å; Y227-W530 HydrophobicContact CD2-CD2 3.62Å; Y227-W530 AromaticContact CD2-CE2 3.55Å; Y227-W530 HydrophobicContact CD2-CE3 4.2Å; Y227-W530 AromaticContact CD2-CG 3.8Å; Y227-W530 HydrophobicContact CD2-CG 3.8Å; Y227-W530 HydrophobicContact CD2-CZ2 4.08Å; Y227-W530 AromaticContact CD2-NE1 3.66Å; Y227-W530 HydrophobicContact CE2-CG 4.46Å; Y227-W530 AromaticContact CE2-NE1 3.85Å; Y227-W530 HydrophobicContact CG-CD2 4.28Å; Y227-W530 HydrophobicContact CG-CE3 4.43Å; Y227-W530 HydrophobicContact CG-CZ2 4.36Å; W530-C572 PolarHBondContact O-N 3Å; W530-C572 PolarHBondContact O-SG 2.87Å; W530-S573 WeakPolarHBondContact CB-OG 3.31Å; W530-S573 PolarHBondContact N-OG 3.45Å; W530-S573 VanDerWaalsContact N-OG 3.07Å; W530-S573 PolarHBondContact O-OG 3.05Å; W530-S573 VanDerWaalsContact O-OG 3.06Å; W530-L582 HydrophobicContact CB-CD1 4.16Å; W530-L582 VanDerWaalsContact CD1-CD1 3.42Å; W530-L582 HydrophobicContact CD2-CD1 4.35Å; W530-L582 HydrophobicContact CG-CD1 3.73Å; W530-W584 AromaticContact CD2-NE1 3.9Å; W530-W584 AromaticContact CE2-NE1 3.57Å; W530-W584 AromaticContact CE3-NE1 3.98Å; W530-W584 AromaticContact CH2-CD1 3.84Å; W530-W584 AromaticContact CH2-NE1 3.44Å; W530-W584 AromaticContact CZ2-CD1 3.63Å; W530-W584 AromaticContact CZ2-NE1 3.34Å; W530-W584 VanDerWaalsContact CZ2-NE1 3.34Å; W530-W584 AromaticContact CZ3-NE1 3.75Å; W530-D585 PolarHBondContact NE1-OD2 3.13Å; W530-W588 AromaticContact NE1-CD1 3.99Å |
| 531 | Y | 90.7 | Very high | 91.6 | Very high | 13 Ų | 13 | 33.1 Ų | 33.1 | 5% | 0.051 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 153.3 | -178.9 | 60.3 | -89.4 | 0 | 0 | 0 | 112.9 | I225 Q226 R230 E569 H570 | I225-Y531 WeakPolarHBondContact CA-O 3.45Å; Q226-Y531 HydrophobicContact CB-CD2 4.18Å; Q226-Y531 HydrophobicContact CB-CE1 3.91Å; Q226-Y531 HydrophobicContact CB-CE2 3.51Å; Q226-Y531 WeakPolarHBondContact CB-OH 3.41Å; Q226-Y531 HydrophobicContact CG-CE2 4.23Å; Q226-Y531 PolarHBondContact N-O 2.99Å; Q226-Y531 WeakPolarHBondContact O-CD1 3.41Å; Q226-Y531 PolarHBondContact O-N 2.91Å; Q226-Y531 PolarHBondContact OE1-OH 2.75Å; R230-Y531 HydrophobicContact CG-CD1 4.43Å; R230-Y531 PolarHBondContact NH2-OH 2.57Å; R230-Y531 VanDerWaalsContact NH2-OH 3.12Å; Y531-E569 HydrophobicContact CD2-CB 3.59Å; Y531-E569 HydrophobicContact CD2-CG 3.64Å; Y531-E569 HydrophobicContact CE2-CB 4.13Å; Y531-E569 HydrophobicContact CE2-CG 3.65Å; Y531-E569 HydrophobicContact CG-CB 4.19Å; Y531-H570 CarbonylContact C-O 3.55Å; Y531-H570 WeakPolarHBondContact CA-O 3.27Å; Y531-H570 VanDerWaalsContact CB-O 3.29Å; Y531-H570 WeakPolarHBondContact CB-O 3.32Å |
| 532 | L | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 126.3 | 168.3 | -72 | 162.2 | 0 | 0 | 0 | 109.1 | L219 K224 I225 Y534 W539 E569 H570 C572 | L219-L532 HydrophobicContact CD1-CD2 4.07Å; K224-L532 WeakPolarHBondContact O-CA 3Å; I225-L532 HydrophobicContact CD1-CD2 4.29Å; I225-L532 HydrophobicContact CG1-CD2 3.56Å; I225-L532 HydrophobicContact CG1-CG 4.47Å; L532-Y534 VanDerWaalsContact C-N 3.3Å; L532-Y534 HydrophobicContact CB-CD1 4.31Å; L532-Y534 HydrophobicContact CB-CD2 4.42Å; L532-Y534 HydrophobicContact CB-CE1 4.01Å; L532-Y534 HydrophobicContact CB-CE2 4.14Å; L532-Y534 HydrophobicContact CD1-CE1 4.32Å; L532-Y534 HydrophobicContact CD1-CE2 4.36Å; L532-Y534 WeakPolarHBondContact CD1-OH 3.45Å; L532-Y534 PolarHBondContact O-N 2.86Å; L532-W539 HydrophobicContact CD2-CH2 4.25Å; L532-E569 WeakPolarHBondContact O-CA 3.45Å; L532-H570 PolarHBondContact N-O 3.1Å; L532-H570 PolarHBondContact O-N 3.3Å; L532-C572 HydrophobicContact CD1-CB 3.7Å; L532-C572 HydrophobicContact CG-CB 3.76Å |
| 533 | D | 94.2 | Very high | 92.3 | Very high | 35 Ų | 35 | 32.1 Ų | 32.1 | 19% | 0.187 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 67.4 | -179.4 | -178.5 | 17.8 | 0 | 0 | 0 | 111.6 | K224 Q226 G535 S536 W539 | K224-D533 PolarHBondContact O-N 2.71Å; Q226-D533 PolarHBondContact NE2-OD2 3.47Å; Q226-D533 VanDerWaalsContact NE2-OD2 3.15Å; D533-G535 PolarHBondContact O-N 3.29Å; D533-G535 PolarHBondContact OD1-N 3.05Å; D533-S536 WeakPolarHBondContact O-CB 3.22Å; D533-S536 PolarHBondContact O-N 3.26Å; D533-S536 PolarHBondContact OD1-N 3.44Å; D533-W539 VanDerWaalsContact O-CE3 3.25Å |
| 534 | Y | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -10.3 | 174.2 | -58.4 | -43.2 | 0 | 0 | 0 | 113.1 | L532 S536 W539 K540 L567 H568 H570 Y690 Y693 N694 | L532-Y534 VanDerWaalsContact C-N 3.3Å; L532-Y534 HydrophobicContact CB-CD1 4.31Å; L532-Y534 HydrophobicContact CB-CD2 4.42Å; L532-Y534 HydrophobicContact CB-CE1 4.01Å; L532-Y534 HydrophobicContact CB-CE2 4.14Å; L532-Y534 HydrophobicContact CD1-CE1 4.32Å; L532-Y534 HydrophobicContact CD1-CE2 4.36Å; L532-Y534 WeakPolarHBondContact CD1-OH 3.45Å; L532-Y534 PolarHBondContact O-N 2.86Å; Y534-S536 VanDerWaalsContact C-N 3.33Å; Y534-W539 HydrophobicContact CD1-CD2 4.42Å; Y534-W539 AromaticContact CD1-CE3 3.96Å; Y534-W539 HydrophobicContact CD1-CE3 3.96Å; Y534-W539 AromaticContact CD1-CH2 3.64Å; Y534-W539 HydrophobicContact CD1-CH2 3.64Å; Y534-W539 HydrophobicContact CD1-CZ2 4.1Å; Y534-W539 AromaticContact CD1-CZ3 3.55Å; Y534-W539 HydrophobicContact CD1-CZ3 3.55Å; Y534-W539 AromaticContact CE1-CH2 3.46Å; Y534-W539 HydrophobicContact CE1-CH2 3.46Å; Y534-W539 VanDerWaalsContact CE1-CH2 3.46Å; Y534-W539 AromaticContact CE1-CZ2 3.87Å; Y534-W539 HydrophobicContact CE1-CZ2 3.87Å; Y534-W539 AromaticContact CE1-CZ3 3.86Å; Y534-W539 HydrophobicContact CE1-CZ3 3.86Å; Y534-K540 WeakPolarHBondContact O-CE 3.43Å; Y534-L567 HydrophobicContact CD2-CD1 4.45Å; Y534-L567 HydrophobicContact CD2-CD2 3.67Å; Y534-L567 HydrophobicContact CD2-CG 4.13Å; Y534-L567 HydrophobicContact CE2-CD2 4.49Å; Y534-L567 HydrophobicContact CG-CD2 3.98Å; Y534-L567 HydrophobicContact CG-CG 4.44Å; Y534-H568 CarbonylContact C-O 3.57Å; Y534-H568 VanDerWaalsContact C-O 3.27Å; Y534-H568 WeakPolarHBondContact CA-O 3.35Å; Y534-H568 WeakPolarHBondContact CB-O 3.06Å; Y534-H568 PolarHBondContact N-O 2.61Å; Y534-H570 HydrophobicContact CD2-CB 3.64Å; Y534-H570 HydrophobicContact CE2-CB 3.65Å; Y534-Y690 AromaticContact CD2-CD1 3.99Å; Y534-Y690 HydrophobicContact CD2-CD1 3.99Å; Y534-Y690 HydrophobicContact CD2-CE1 4.07Å; Y534-Y690 AromaticContact CE2-CD1 3.38Å; Y534-Y690 HydrophobicContact CE2-CD1 3.38Å; Y534-Y690 HydrophobicContact CE2-CD2 4.46Å; Y534-Y690 AromaticContact CE2-CE1 3.73Å; Y534-Y690 HydrophobicContact CE2-CE1 3.73Å; Y534-Y690 AromaticContact CE2-CG 3.82Å; Y534-Y690 HydrophobicContact CE2-CG 3.82Å; Y534-Y690 AromaticContact CZ-CD1 3.98Å; Y534-Y690 WeakPolarHBondContact OH-CB 3.26Å; Y534-Y693 AromaticContact CD1-CD1 3.23Å; Y534-Y693 HydrophobicContact CD1-CD1 3.23Å; Y534-Y693 HydrophobicContact CD1-CD2 4.27Å; Y534-Y693 AromaticContact CD1-CE1 3.8Å; Y534-Y693 HydrophobicContact CD1-CE1 3.8Å; Y534-Y693 AromaticContact CD1-CG 3.5Å; Y534-Y693 HydrophobicContact CD1-CG 3.5Å; Y534-Y693 VanDerWaalsContact CE1-CB 3.47Å; Y534-Y693 AromaticContact CE1-CD1 3.9Å; Y534-Y693 HydrophobicContact CE1-CD1 3.9Å; Y534-Y693 AromaticContact CE1-CG 3.77Å; Y534-Y693 HydrophobicContact CE1-CG 3.77Å; Y534-Y693 AromaticContact CG-CD1 3.92Å; Y534-Y693 HydrophobicContact CG-CD1 3.92Å; Y534-Y693 HydrophobicContact CG-CE1 4.07Å; Y534-Y693 HydrophobicContact CG-CG 4.15Å; Y534-Y693 VanDerWaalsContact O-CE1 3.3Å; Y534-Y693 WeakPolarHBondContact O-CE1 3.27Å; Y534-Y693 PolarHBondContact O-OH 3.29Å; Y534-N694 PolarHBondContact OH-ND2 3.5Å |
| 535 | G | 92.7 | Very high | 92.8 | Very high | 15 Ų | 15 | 40.8 Ų | 40.8 | 16% | 0.155 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -21.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D533 E537 H568 | D533-G535 PolarHBondContact O-N 3.29Å; D533-G535 PolarHBondContact OD1-N 3.05Å; G535-E537 PolarHBondContact O-N 3.21Å; G535-H568 PolarHBondContact N-O 3.39Å |
| 536 | S | 94.1 | Very high | 93.2 | Very high | 24 Ų | 24 | 40.8 Ų | 40.8 | 17% | 0.168 | 20% | 0.204 | C | C | . | . | trans | -52.3 | 119.3 | 176.7 | 172.5 | 0 | 0 | 0 | 0 | 112 | D533 Y534 E538 W539 K540 | D533-S536 WeakPolarHBondContact O-CB 3.22Å; D533-S536 PolarHBondContact O-N 3.26Å; D533-S536 PolarHBondContact OD1-N 3.44Å; Y534-S536 VanDerWaalsContact C-N 3.33Å; S536-E538 PolarHBondContact O-N 3.12Å; S536-W539 PolarHBondContact O-N 2.79Å; S536-K540 PolarHBondContact O-N 3.22Å | ||
| 537 | E | 94.7 | Very high | 93.9 | Very high | 133 Ų | 133 | 38 Ų | 38 | 62% | 0.621 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -59.8 | -34.1 | -179.8 | -71.3 | -57.7 | 130.4 | 0 | 0 | 112.6 | G535 K540 A541 | G535-E537 PolarHBondContact O-N 3.21Å; E537-K540 PolarHBondContact O-N 3.14Å; E537-A541 WeakPolarHBondContact O-CB 3.32Å; E537-A541 PolarHBondContact O-N 3.49Å |
| 538 | E | 95.2 | Very high | 94.6 | Very high | 151 Ų | 151 | 40 Ų | 40 | 71% | 0.706 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -62.7 | -43.3 | 173.9 | -63.4 | 170.7 | 178.7 | 0 | 0 | 111.1 | S536 A541 E542 | S536-E538 PolarHBondContact O-N 3.12Å; E538-A541 PolarHBondContact O-N 3.37Å; E538-E542 PolarHBondContact O-N 3.17Å |
| 539 | W | 96.5 | Very high | 95.2 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 1% | 0.011 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.9 | -41.9 | 179 | -155.3 | -6.7 | 0 | 0 | 0 | 111.5 | L219 K224 L532 D533 Y534 S536 A541 E542 V543 Y693 T696 A697 | L219-W539 HydrophobicContact CD2-CH2 4.44Å; L219-W539 HydrophobicContact CD2-CZ2 4.5Å; K224-W539 HydrophobicContact CB-CE3 4.32Å; K224-W539 HydrophobicContact CB-CH2 3.83Å; K224-W539 HydrophobicContact CB-CZ3 3.62Å; K224-W539 HydrophobicContact CD-CD2 3.99Å; K224-W539 HydrophobicContact CD-CE3 3.6Å; K224-W539 HydrophobicContact CD-CH2 4.35Å; K224-W539 HydrophobicContact CD-CZ3 3.81Å; K224-W539 HydrophobicContact CG-CE3 4.2Å; K224-W539 HydrophobicContact CG-CH2 4.05Å; K224-W539 HydrophobicContact CG-CZ2 4.47Å; K224-W539 HydrophobicContact CG-CZ3 3.91Å; L532-W539 HydrophobicContact CD2-CH2 4.25Å; D533-W539 VanDerWaalsContact O-CE3 3.25Å; Y534-W539 HydrophobicContact CD1-CD2 4.42Å; Y534-W539 AromaticContact CD1-CE3 3.96Å; Y534-W539 HydrophobicContact CD1-CE3 3.96Å; Y534-W539 AromaticContact CD1-CH2 3.64Å; Y534-W539 HydrophobicContact CD1-CH2 3.64Å; Y534-W539 HydrophobicContact CD1-CZ2 4.1Å; Y534-W539 AromaticContact CD1-CZ3 3.55Å; Y534-W539 HydrophobicContact CD1-CZ3 3.55Å; Y534-W539 AromaticContact CE1-CH2 3.46Å; Y534-W539 HydrophobicContact CE1-CH2 3.46Å; Y534-W539 VanDerWaalsContact CE1-CH2 3.46Å; Y534-W539 AromaticContact CE1-CZ2 3.87Å; Y534-W539 HydrophobicContact CE1-CZ2 3.87Å; Y534-W539 AromaticContact CE1-CZ3 3.86Å; Y534-W539 HydrophobicContact CE1-CZ3 3.86Å; S536-W539 PolarHBondContact O-N 2.79Å; W539-A541 VanDerWaalsContact C-N 3.27Å; W539-A541 PolarHBondContact O-N 2.99Å; W539-E542 PolarHBondContact O-N 3.44Å; W539-V543 WeakPolarHBondContact O-CG2 3.5Å; W539-V543 PolarHBondContact O-N 3.01Å; W539-Y693 HydrophobicContact CB-CD1 4.42Å; W539-Y693 HydrophobicContact CB-CE1 4.2Å; W539-Y693 AromaticContact CD1-CD1 3.61Å; W539-Y693 AromaticContact CD2-CD1 3.51Å; W539-Y693 HydrophobicContact CD2-CD1 3.51Å; W539-Y693 HydrophobicContact CD2-CE1 4.08Å; W539-Y693 AromaticContact CE2-CD1 3.5Å; W539-Y693 VanDerWaalsContact CE2-CD1 3.5Å; W539-Y693 HydrophobicContact CE3-CD1 4.1Å; W539-Y693 AromaticContact CG-CD1 3.62Å; W539-Y693 HydrophobicContact CG-CD1 3.62Å; W539-Y693 AromaticContact CG-CE1 3.89Å; W539-Y693 HydrophobicContact CG-CE1 3.89Å; W539-Y693 HydrophobicContact CZ2-CD1 4.09Å; W539-Y693 VanDerWaalsContact CZ2-O 3.31Å; W539-Y693 WeakPolarHBondContact CZ2-O 3.47Å; W539-Y693 AromaticContact NE1-CD1 3.55Å; W539-Y693 PolarHBondContact NE1-O 3.17Å; W539-T696 PolarHBondContact NE1-OG1 2.86Å; W539-A697 HydrophobicContact CH2-CB 4.49Å; W539-A697 HydrophobicContact CZ2-CB 3.54Å |
| 540 | K | 98 | Very high | 95.8 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.6 | -44.3 | 171.9 | -74.8 | -174.5 | 175.4 | -169.8 | 0 | 111.3 | Y534 S536 E537 E542 V543 R544 V564 D565 L567 Y693 | Y534-K540 WeakPolarHBondContact O-CE 3.43Å; S536-K540 PolarHBondContact O-N 3.22Å; E537-K540 PolarHBondContact O-N 3.14Å; K540-E542 PolarHBondContact O-N 3.22Å; K540-V543 PolarHBondContact O-N 3.27Å; K540-R544 WeakPolarHBondContact O-CG 3.46Å; K540-R544 PolarHBondContact O-N 3.26Å; K540-V564 HydrophobicContact CB-CG1 4.06Å; K540-V564 WeakPolarHBondContact CD-O 3.36Å; K540-V564 WeakPolarHBondContact CE-O 3.3Å; K540-V564 HydrophobicContact CG-CG1 4.05Å; K540-V564 PolarHBondContact NZ-O 3.04Å; K540-D565 PolarHBondContact NZ-O 3.38Å; K540-L567 WeakPolarHBondContact CE-O 3.38Å; K540-L567 PolarHBondContact NZ-O 2.84Å; K540-Y693 WeakPolarHBondContact CG-OH 3.35Å |
| 541 | A | 97.5 | Very high | 96 | Very high | 42 Ų | 42 | 43.9 Ų | 43.9 | 35% | 0.347 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60 | -44.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E537 E538 W539 R544 K545 | E537-A541 WeakPolarHBondContact O-CB 3.32Å; E537-A541 PolarHBondContact O-N 3.49Å; E538-A541 PolarHBondContact O-N 3.37Å; W539-A541 VanDerWaalsContact C-N 3.27Å; W539-A541 PolarHBondContact O-N 2.99Å; A541-R544 PolarHBondContact O-N 3.11Å; A541-K545 WeakPolarHBondContact O-CG 3.15Å; A541-K545 PolarHBondContact O-N 2.85Å |
| 542 | E | 97 | Very high | 96.2 | Very high | 56 Ų | 56 | 44 Ų | 44 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65 | -41 | 175.5 | -66.5 | -49.9 | 129.7 | 0 | 0 | 112.3 | E538 W539 K540 R544 K545 A546 T696 | E538-E542 PolarHBondContact O-N 3.17Å; W539-E542 PolarHBondContact O-N 3.44Å; K540-E542 PolarHBondContact O-N 3.22Å; E542-R544 VanDerWaalsContact C-N 3.34Å; E542-R544 PolarHBondContact O-N 3.34Å; E542-K545 WeakPolarHBondContact O-CB 3.4Å; E542-K545 PolarHBondContact O-N 3.19Å; E542-K545 VanDerWaalsContact O-N 3.17Å; E542-K545 IonicContact OE1-NZ 3.61Å; E542-K545 PolarHBondContact OE1-NZ 2.78Å; E542-K545 IonicContact OE2-NZ 3.88Å; E542-K545 PolarHBondContact OE2-NZ 3.24Å; E542-A546 PolarHBondContact O-N 2.92Å; E542-T696 HydrophobicContact CB-CG2 4.43Å |
| 543 | V | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.3 | -36.6 | 177.8 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | W539 K540 K545 A546 V547 V564 L692 Y693 T696 | W539-V543 WeakPolarHBondContact O-CG2 3.5Å; W539-V543 PolarHBondContact O-N 3.01Å; K540-V543 PolarHBondContact O-N 3.27Å; V543-K545 VanDerWaalsContact C-N 3.28Å; V543-K545 PolarHBondContact O-N 2.92Å; V543-A546 WeakPolarHBondContact O-CB 3.45Å; V543-A546 PolarHBondContact O-N 3.48Å; V543-A546 VanDerWaalsContact O-N 3.1Å; V543-V547 HydrophobicContact CG1-CG2 4.32Å; V543-V547 WeakPolarHBondContact O-CG2 3.4Å; V543-V547 PolarHBondContact O-N 3.46Å; V543-V564 HydrophobicContact CB-CG2 4.45Å; V543-V564 HydrophobicContact CG1-CG2 3.6Å; V543-L692 HydrophobicContact CG1-CB 4.08Å; V543-Y693 HydrophobicContact CB-CD2 4.37Å; V543-Y693 HydrophobicContact CB-CE2 4.26Å; V543-Y693 HydrophobicContact CG1-CD2 3.98Å; V543-Y693 HydrophobicContact CG1-CE2 3.94Å; V543-Y693 HydrophobicContact CG2-CD1 3.61Å; V543-Y693 HydrophobicContact CG2-CD2 3.74Å; V543-Y693 HydrophobicContact CG2-CE1 3.9Å; V543-Y693 HydrophobicContact CG2-CE2 4Å; V543-Y693 HydrophobicContact CG2-CG 3.55Å; V543-T696 HydrophobicContact CG2-CG2 4.39Å |
| 544 | R | 98.3 | Very high | 96.1 | Very high | 84 Ų | 84 | 49.7 Ų | 49.7 | 32% | 0.317 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.7 | -37.7 | 173.4 | -72.8 | 179.8 | -161.7 | -79.4 | -0.7 | 112.2 | K540 A541 E542 V547 A548 Y561 V564 D565 | K540-R544 WeakPolarHBondContact O-CG 3.46Å; K540-R544 PolarHBondContact O-N 3.26Å; A541-R544 PolarHBondContact O-N 3.11Å; E542-R544 VanDerWaalsContact C-N 3.34Å; E542-R544 PolarHBondContact O-N 3.34Å; R544-V547 PolarHBondContact O-N 3.29Å; R544-A548 WeakPolarHBondContact O-CB 3.36Å; R544-A548 PolarHBondContact O-N 3.19Å; R544-Y561 HydrophobicContact CB-CE1 4.21Å; R544-Y561 HydrophobicContact CG-CD1 4.34Å; R544-Y561 HydrophobicContact CG-CE1 4.16Å; R544-V564 HydrophobicContact CG-CG1 4.06Å; R544-D565 IonicContact CZ-OD1 2.91Å; R544-D565 IonicContact NH1-OD1 3.26Å; R544-D565 PolarHBondContact NH1-OD1 3.11Å; R544-D565 IonicContact NH2-OD1 3.61Å; R544-D565 PolarHBondContact NH2-OD1 3.09Å |
| 545 | K | 97.6 | Very high | 96.1 | Very high | 105 Ų | 105 | 54.3 Ų | 54.3 | 46% | 0.457 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 172.9 | -63.5 | 171.2 | -171.9 | 168.4 | 0 | 110.8 | A541 E542 V543 A548 N549 W706 | A541-K545 WeakPolarHBondContact O-CG 3.15Å; A541-K545 PolarHBondContact O-N 2.85Å; E542-K545 WeakPolarHBondContact O-CB 3.4Å; E542-K545 PolarHBondContact O-N 3.19Å; E542-K545 VanDerWaalsContact O-N 3.17Å; E542-K545 IonicContact OE1-NZ 3.61Å; E542-K545 PolarHBondContact OE1-NZ 2.78Å; E542-K545 IonicContact OE2-NZ 3.88Å; E542-K545 PolarHBondContact OE2-NZ 3.24Å; V543-K545 VanDerWaalsContact C-N 3.28Å; V543-K545 PolarHBondContact O-N 2.92Å; K545-A548 PolarHBondContact O-N 3.38Å; K545-N549 PolarHBondContact O-N 2.92Å; K545-N549 PolarHBondContact O-ND2 3.15Å; K545-W706 HydrophobicContact CB-CZ3 4.2Å |
| 546 | A | 98.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.033 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61 | -45.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E542 V543 A548 N549 L550 T696 W706 | E542-A546 PolarHBondContact O-N 2.92Å; V543-A546 WeakPolarHBondContact O-CB 3.45Å; V543-A546 PolarHBondContact O-N 3.48Å; V543-A546 VanDerWaalsContact O-N 3.1Å; A546-A548 VanDerWaalsContact C-N 3.32Å; A546-A548 PolarHBondContact O-N 3.42Å; A546-N549 PolarHBondContact O-N 3.12Å; A546-L550 WeakPolarHBondContact O-CB 3.41Å; A546-L550 PolarHBondContact O-N 3Å; A546-L550 VanDerWaalsContact O-N 3.12Å; A546-T696 HydrophobicContact CB-CG2 3.69Å; A546-W706 HydrophobicContact CB-CD2 4.36Å; A546-W706 HydrophobicContact CB-CE3 3.64Å; A546-W706 HydrophobicContact CB-CZ3 3.97Å |
| 547 | V | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63 | -37.6 | 175.6 | 177.9 | 0 | 0 | 0 | 0 | 111.7 | V543 R544 N549 L550 R557 L560 Y561 L692 | V543-V547 HydrophobicContact CG1-CG2 4.32Å; V543-V547 WeakPolarHBondContact O-CG2 3.4Å; V543-V547 PolarHBondContact O-N 3.46Å; R544-V547 PolarHBondContact O-N 3.29Å; V547-N549 VanDerWaalsContact C-N 3.34Å; V547-N549 PolarHBondContact O-N 2.85Å; V547-L550 WeakPolarHBondContact O-CB 3.2Å; V547-L550 PolarHBondContact O-N 2.87Å; V547-R557 HydrophobicContact CG1-CG 3.74Å; V547-L560 HydrophobicContact CG1-CB 4.16Å; V547-L560 HydrophobicContact CG1-CD1 4.48Å; V547-L560 HydrophobicContact CG2-CB 4.1Å; V547-Y561 HydrophobicContact CB-CD1 4.4Å; V547-Y561 HydrophobicContact CB-CE1 3.82Å; V547-Y561 HydrophobicContact CG1-CD1 4.05Å; V547-Y561 HydrophobicContact CG1-CD2 4.06Å; V547-Y561 HydrophobicContact CG1-CE1 3.67Å; V547-Y561 HydrophobicContact CG1-CE2 3.7Å; V547-Y561 HydrophobicContact CG1-CG 4.22Å; V547-Y561 VanDerWaalsContact CG1-CZ 3.48Å; V547-L692 HydrophobicContact CG2-CD1 3.64Å |
| 548 | A | 97 | Very high | 96.5 | Very high | 59 Ų | 59 | 56.1 Ų | 56.1 | 49% | 0.488 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.2 | -35.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R544 K545 A546 L550 Y561 | R544-A548 WeakPolarHBondContact O-CB 3.36Å; R544-A548 PolarHBondContact O-N 3.19Å; K545-A548 PolarHBondContact O-N 3.38Å; A546-A548 VanDerWaalsContact C-N 3.32Å; A546-A548 PolarHBondContact O-N 3.42Å; A548-L550 VanDerWaalsContact C-N 3.31Å; A548-Y561 WeakPolarHBondContact CA-OH 3.43Å; A548-Y561 PolarHBondContact N-OH 2.78Å |
| 549 | N | 95.3 | Very high | 96.6 | Very high | 118 Ų | 118 | 50 Ų | 50 | 63% | 0.631 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -82.7 | -8.5 | 177.9 | -68.5 | -23.1 | 0 | 0 | 0 | 113.4 | K545 A546 V547 | K545-N549 PolarHBondContact O-N 2.92Å; K545-N549 PolarHBondContact O-ND2 3.15Å; A546-N549 PolarHBondContact O-N 3.12Å; V547-N549 VanDerWaalsContact C-N 3.34Å; V547-N549 PolarHBondContact O-N 2.85Å |
| 550 | L | 96.2 | Very high | 96.7 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | trans | -82.8 | 129.3 | -175.7 | -173.3 | 74.8 | 0 | 0 | 0 | 111.7 | A546 V547 A548 A552 L560 L692 P707 I710 | A546-L550 WeakPolarHBondContact O-CB 3.41Å; A546-L550 PolarHBondContact O-N 3Å; A546-L550 VanDerWaalsContact O-N 3.12Å; V547-L550 WeakPolarHBondContact O-CB 3.2Å; V547-L550 PolarHBondContact O-N 2.87Å; A548-L550 VanDerWaalsContact C-N 3.31Å; L550-A552 HydrophobicContact CD2-CB 4.35Å; L550-A552 PolarHBondContact O-N 3.31Å; L550-L560 HydrophobicContact CD2-CD1 3.75Å; L550-L692 HydrophobicContact CD2-CD1 4.48Å; L550-P707 HydrophobicContact CD1-CB 4.27Å; L550-P707 VanDerWaalsContact CD1-O 3.3Å; L550-P707 WeakPolarHBondContact CD1-O 3.47Å; L550-I710 HydrophobicContact CD1-CD1 4.29Å; L550-I710 HydrophobicContact CD1-CG1 3.98Å; L550-I710 HydrophobicContact CD2-CB 3.99Å; L550-I710 HydrophobicContact CD2-CD1 3.57Å; L550-I710 HydrophobicContact CD2-CG1 3.83Å; L550-I710 HydrophobicContact CG-CG1 4.42Å | ||
| 551 | S | 95.8 | Very high | 96.7 | Very high | 68 Ų | 68 | 52.8 Ų | 52.8 | 48% | 0.476 | 28% | 0.276 | S | S | . | . | B | Isolated β-bridge | trans | -74.3 | 120.8 | 165 | -171.9 | 0 | 0 | 0 | 0 | 110 | R708 N709 I710 | S551-R708 WeakPolarHBondContact CB-O 3.35Å; S551-R708 PolarHBondContact N-O 3.01Å; S551-N709 WeakPolarHBondContact O-CA 3.34Å; S551-N709 PolarHBondContact O-OD1 3.45Å; S551-N709 VanDerWaalsContact O-OD1 3.05Å; S551-I710 PolarHBondContact O-N 3.45Å |
| 552 | A | 95.2 | Very high | 96.6 | Very high | 16 Ų | 16 | 54.2 Ų | 54.2 | 13% | 0.132 | 28% | 0.283 | C | S | . | . | trans | -162.4 | 162.7 | 179 | 0 | 0 | 0 | 0 | 0 | 108.9 | L550 V556 R557 | L550-A552 HydrophobicContact CD2-CB 4.35Å; L550-A552 PolarHBondContact O-N 3.31Å; A552-V556 HydrophobicContact CB-CB 4.11Å; A552-V556 HydrophobicContact CB-CG1 4.03Å; A552-R557 PolarHBondContact O-NH2 3.11Å | ||
| 553 | T | 93.5 | Very high | 96.5 | Very high | 64 Ų | 64 | 51.8 Ų | 51.8 | 39% | 0.393 | 27% | 0.272 | S | S | . | . | trans | -67 | 158.3 | 169 | 80.8 | 0 | 0 | 0 | 0 | 110.3 | E555 V556 R557 | T553-E555 VanDerWaalsContact C-N 3.25Å; T553-E555 WeakPolarHBondContact CB-OE2 3.31Å; T553-E555 PolarHBondContact O-N 2.79Å; T553-E555 PolarHBondContact OG1-OE2 3.33Å; T553-V556 PolarHBondContact O-N 2.85Å; T553-V556 VanDerWaalsContact O-N 3.17Å; T553-R557 PolarHBondContact O-N 2.84Å | ||
| 554 | D | 94 | Very high | 96.4 | Very high | 90 Ų | 90 | 51.8 Ų | 51.8 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62 | -35.1 | -176.7 | -72.7 | -13.8 | 0 | 0 | 0 | 112.4 | R557 R558 | D554-R557 PolarHBondContact O-N 3.04Å; D554-R557 IonicContact OD1-CZ 3.38Å; D554-R557 IonicContact OD1-NH1 2.7Å; D554-R557 PolarHBondContact OD1-NH1 3.45Å; D554-R558 WeakPolarHBondContact O-CB 3.5Å; D554-R558 VanDerWaalsContact O-CG 3.31Å; D554-R558 WeakPolarHBondContact O-CG 3.47Å; D554-R558 PolarHBondContact O-N 2.95Å |
| 555 | E | 94.1 | Very high | 96.1 | Very high | 97 Ų | 97 | 51.8 Ų | 51.8 | 45% | 0.453 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 175.2 | -60 | 75.4 | -158.3 | 0 | 0 | 112 | T553 R558 G559 L756 | T553-E555 VanDerWaalsContact C-N 3.25Å; T553-E555 WeakPolarHBondContact CB-OE2 3.31Å; T553-E555 PolarHBondContact O-N 2.79Å; T553-E555 PolarHBondContact OG1-OE2 3.33Å; E555-R558 PolarHBondContact O-N 2.94Å; E555-R558 IonicContact OE1-NH2 3.62Å; E555-G559 PolarHBondContact O-N 3.25Å; E555-L756 HydrophobicContact CB-CD1 3.19Å; E555-L756 HydrophobicContact CG-CD1 3.99Å |
| 556 | V | 96.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 177.6 | 176.8 | 0 | 0 | 0 | 0 | 109.9 | A552 T553 R558 G559 L560 I684 I710 A712 L756 | A552-V556 HydrophobicContact CB-CB 4.11Å; A552-V556 HydrophobicContact CB-CG1 4.03Å; T553-V556 PolarHBondContact O-N 2.85Å; T553-V556 VanDerWaalsContact O-N 3.17Å; V556-R558 PolarHBondContact O-N 2.71Å; V556-G559 PolarHBondContact O-N 2.79Å; V556-L560 HydrophobicContact CG1-CD1 4.13Å; V556-L560 HydrophobicContact CG1-CG 4.47Å; V556-L560 WeakPolarHBondContact O-CG 3.38Å; V556-L560 PolarHBondContact O-N 3.1Å; V556-I684 HydrophobicContact CG1-CD1 4.41Å; V556-I684 HydrophobicContact CG2-CD1 4.23Å; V556-I710 HydrophobicContact CG1-CG2 4.22Å; V556-A712 HydrophobicContact CG2-CB 3.81Å; V556-L756 HydrophobicContact CG2-CD1 3.92Å; V556-L756 HydrophobicContact CG2-CD2 4.1Å; V556-L756 HydrophobicContact CG2-CG 4.32Å |
| 557 | R | 97.8 | Very high | 95.2 | Very high | 62 Ų | 62 | 52.6 Ų | 52.6 | 23% | 0.234 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.2 | -45 | 178.5 | -166.8 | -176.3 | -59.8 | 100.6 | 8.2 | 111.8 | V547 A552 T553 D554 L560 Y561 | V547-R557 HydrophobicContact CG1-CG 3.74Å; A552-R557 PolarHBondContact O-NH2 3.11Å; T553-R557 PolarHBondContact O-N 2.84Å; D554-R557 PolarHBondContact O-N 3.04Å; D554-R557 IonicContact OD1-CZ 3.38Å; D554-R557 IonicContact OD1-NH1 2.7Å; D554-R557 PolarHBondContact OD1-NH1 3.45Å; R557-L560 PolarHBondContact O-N 3.09Å; R557-Y561 HydrophobicContact CG-CD2 4.02Å; R557-Y561 HydrophobicContact CG-CE2 3.67Å; R557-Y561 WeakPolarHBondContact O-CD2 3.43Å; R557-Y561 PolarHBondContact O-N 2.85Å |
| 558 | R | 96.8 | Very high | 94.6 | Very high | 146 Ų | 146 | 57.6 Ų | 57.6 | 55% | 0.551 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.8 | -42.9 | 175.3 | -76.3 | -171.5 | -62.3 | -103.7 | 0.4 | 112 | D554 E555 V556 L560 Y561 S562 | D554-R558 WeakPolarHBondContact O-CB 3.5Å; D554-R558 VanDerWaalsContact O-CG 3.31Å; D554-R558 WeakPolarHBondContact O-CG 3.47Å; D554-R558 PolarHBondContact O-N 2.95Å; E555-R558 PolarHBondContact O-N 2.94Å; E555-R558 IonicContact OE1-NH2 3.62Å; V556-R558 PolarHBondContact O-N 2.71Å; R558-L560 PolarHBondContact O-N 3.26Å; R558-Y561 PolarHBondContact O-N 3.04Å; R558-S562 WeakPolarHBondContact O-CB 3.45Å; R558-S562 PolarHBondContact O-N 2.91Å |
| 559 | G | 96.1 | Very high | 94.1 | Very high | 23 Ų | 23 | 58.9 Ų | 58.9 | 24% | 0.237 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.4 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E555 V556 T563 | E555-G559 PolarHBondContact O-N 3.25Å; V556-G559 PolarHBondContact O-N 2.79Å; G559-T563 WeakPolarHBondContact O-CB 3.4Å; G559-T563 PolarHBondContact O-N 3.31Å; G559-T563 PolarHBondContact O-OG1 2.88Å |
| 560 | L | 98.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 174.6 | -69.5 | 169.8 | 0 | 0 | 0 | 111.7 | V547 L550 V556 R557 R558 T563 V564 I684 L688 T689 L692 I710 | V547-L560 HydrophobicContact CG1-CB 4.16Å; V547-L560 HydrophobicContact CG1-CD1 4.48Å; V547-L560 HydrophobicContact CG2-CB 4.1Å; L550-L560 HydrophobicContact CD2-CD1 3.75Å; V556-L560 HydrophobicContact CG1-CD1 4.13Å; V556-L560 HydrophobicContact CG1-CG 4.47Å; V556-L560 WeakPolarHBondContact O-CG 3.38Å; V556-L560 PolarHBondContact O-N 3.1Å; R557-L560 PolarHBondContact O-N 3.09Å; R558-L560 PolarHBondContact O-N 3.26Å; L560-T563 WeakPolarHBondContact O-CB 3.45Å; L560-T563 PolarHBondContact O-N 3.02Å; L560-V564 WeakPolarHBondContact O-CG2 3.4Å; L560-V564 PolarHBondContact O-N 3.09Å; L560-I684 HydrophobicContact CD2-CG2 4.17Å; L560-I684 HydrophobicContact CG-CG2 4.22Å; L560-L688 HydrophobicContact CD2-CB 4.22Å; L560-T689 WeakPolarHBondContact CD2-OG1 3.16Å; L560-L692 HydrophobicContact CD1-CD1 4.13Å; L560-L692 HydrophobicContact CD2-CD1 4.22Å; L560-I710 HydrophobicContact CD1-CD1 4.46Å |
| 561 | Y | 98.1 | Very high | 93.2 | Very high | 65 Ų | 65 | 54.8 Ų | 54.8 | 26% | 0.255 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | 176.8 | -78.6 | -52.2 | 0 | 0 | 0 | 112.7 | R544 V547 A548 R557 R558 T563 V564 D565 | R544-Y561 HydrophobicContact CB-CE1 4.21Å; R544-Y561 HydrophobicContact CG-CD1 4.34Å; R544-Y561 HydrophobicContact CG-CE1 4.16Å; V547-Y561 HydrophobicContact CB-CD1 4.4Å; V547-Y561 HydrophobicContact CB-CE1 3.82Å; V547-Y561 HydrophobicContact CG1-CD1 4.05Å; V547-Y561 HydrophobicContact CG1-CD2 4.06Å; V547-Y561 HydrophobicContact CG1-CE1 3.67Å; V547-Y561 HydrophobicContact CG1-CE2 3.7Å; V547-Y561 HydrophobicContact CG1-CG 4.22Å; V547-Y561 VanDerWaalsContact CG1-CZ 3.48Å; A548-Y561 WeakPolarHBondContact CA-OH 3.43Å; A548-Y561 PolarHBondContact N-OH 2.78Å; R557-Y561 HydrophobicContact CG-CD2 4.02Å; R557-Y561 HydrophobicContact CG-CE2 3.67Å; R557-Y561 WeakPolarHBondContact O-CD2 3.43Å; R557-Y561 PolarHBondContact O-N 2.85Å; R558-Y561 PolarHBondContact O-N 3.04Å; Y561-T563 PolarHBondContact O-N 3.13Å; Y561-V564 PolarHBondContact O-N 3.24Å; Y561-V564 VanDerWaalsContact O-N 3.11Å; Y561-D565 VanDerWaalsContact O-CG 3.25Å; Y561-D565 PolarHBondContact O-N 2.87Å |
| 562 | S | 96.4 | Very high | 93 | Very high | 71 Ų | 71 | 51.5 Ų | 51.5 | 50% | 0.497 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.4 | -34.2 | 175.8 | -175.2 | 0 | 0 | 0 | 0 | 111.8 | R558 W566 | R558-S562 WeakPolarHBondContact O-CB 3.45Å; R558-S562 PolarHBondContact O-N 2.91Å; S562-W566 PolarHBondContact O-N 2.96Å |
| 563 | T | 94.9 | Very high | 92.7 | Very high | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.9 | -49 | 175.6 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | G559 L560 Y561 D565 W566 L567 S685 T689 | G559-T563 WeakPolarHBondContact O-CB 3.4Å; G559-T563 PolarHBondContact O-N 3.31Å; G559-T563 PolarHBondContact O-OG1 2.88Å; L560-T563 WeakPolarHBondContact O-CB 3.45Å; L560-T563 PolarHBondContact O-N 3.02Å; Y561-T563 PolarHBondContact O-N 3.13Å; T563-D565 PolarHBondContact O-N 3.17Å; T563-W566 HydrophobicContact CG2-CE3 4.19Å; T563-W566 HydrophobicContact CG2-CH2 4.12Å; T563-W566 HydrophobicContact CG2-CZ3 3.51Å; T563-W566 PolarHBondContact O-N 3.15Å; T563-L567 HydrophobicContact CG2-CB 4.43Å; T563-L567 HydrophobicContact CG2-CD2 4.47Å; T563-L567 WeakPolarHBondContact O-CB 3.42Å; T563-L567 PolarHBondContact O-N 2.99Å; T563-S685 VanDerWaalsContact CG2-O 3.3Å; T563-S685 WeakPolarHBondContact CG2-O 3.31Å; T563-S685 WeakPolarHBondContact OG1-CA 3.18Å; T563-T689 HydrophobicContact CG2-CG2 3.7Å; T563-T689 WeakPolarHBondContact CG2-OG1 3.26Å |
| 564 | V | 96.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.1 | -34.1 | 176.5 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | K540 V543 R544 L560 Y561 T689 Y693 | K540-V564 HydrophobicContact CB-CG1 4.06Å; K540-V564 WeakPolarHBondContact CD-O 3.36Å; K540-V564 WeakPolarHBondContact CE-O 3.3Å; K540-V564 HydrophobicContact CG-CG1 4.05Å; K540-V564 PolarHBondContact NZ-O 3.04Å; V543-V564 HydrophobicContact CB-CG2 4.45Å; V543-V564 HydrophobicContact CG1-CG2 3.6Å; R544-V564 HydrophobicContact CG-CG1 4.06Å; L560-V564 WeakPolarHBondContact O-CG2 3.4Å; L560-V564 PolarHBondContact O-N 3.09Å; Y561-V564 PolarHBondContact O-N 3.24Å; Y561-V564 VanDerWaalsContact O-N 3.11Å; V564-T689 HydrophobicContact CG2-CG2 4.16Å; V564-Y693 HydrophobicContact CG2-CE2 4.13Å |
| 565 | D | 91.9 | Very high | 91.6 | Very high | 84 Ų | 84 | 47.7 Ų | 47.7 | 45% | 0.449 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.8 | -53.7 | 178 | -68.2 | -26.3 | 0 | 0 | 0 | 112 | K540 R544 Y561 T563 | K540-D565 PolarHBondContact NZ-O 3.38Å; R544-D565 IonicContact CZ-OD1 2.91Å; R544-D565 IonicContact NH1-OD1 3.26Å; R544-D565 PolarHBondContact NH1-OD1 3.11Å; R544-D565 IonicContact NH2-OD1 3.61Å; R544-D565 PolarHBondContact NH2-OD1 3.09Å; Y561-D565 VanDerWaalsContact O-CG 3.25Å; Y561-D565 PolarHBondContact O-N 2.87Å; T563-D565 PolarHBondContact O-N 3.17Å |
| 566 | W | 87.5 | Confident | 91.1 | Very high | 118 Ų | 118 | 45.9 Ų | 45.9 | 45% | 0.447 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -85.1 | -25.4 | -174.7 | 126.4 | 78.8 | 0 | 0 | 0 | 114 | S562 T563 H568 S685 | S562-W566 PolarHBondContact O-N 2.96Å; T563-W566 HydrophobicContact CG2-CE3 4.19Å; T563-W566 HydrophobicContact CG2-CH2 4.12Å; T563-W566 HydrophobicContact CG2-CZ3 3.51Å; T563-W566 PolarHBondContact O-N 3.15Å; W566-H568 PolarHBondContact O-CD2 2.93Å; W566-H568 PolarHBondContact O-N 2.9Å; W566-H568 PolarHBondContact O-NE2 2.92Å; W566-S685 WeakPolarHBondContact CH2-O 3.38Å |
| 567 | L | 89.8 | Confident | 90.7 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | trans | -65.7 | 124.6 | -175.4 | -174.2 | 67.2 | 0 | 0 | 0 | 110.1 | Y534 K540 T563 T689 Y690 Y693 | Y534-L567 HydrophobicContact CD2-CD1 4.45Å; Y534-L567 HydrophobicContact CD2-CD2 3.67Å; Y534-L567 HydrophobicContact CD2-CG 4.13Å; Y534-L567 HydrophobicContact CE2-CD2 4.49Å; Y534-L567 HydrophobicContact CG-CD2 3.98Å; Y534-L567 HydrophobicContact CG-CG 4.44Å; K540-L567 WeakPolarHBondContact CE-O 3.38Å; K540-L567 PolarHBondContact NZ-O 2.84Å; T563-L567 HydrophobicContact CG2-CB 4.43Å; T563-L567 HydrophobicContact CG2-CD2 4.47Å; T563-L567 WeakPolarHBondContact O-CB 3.42Å; T563-L567 PolarHBondContact O-N 2.99Å; L567-T689 HydrophobicContact CD2-CG2 3.92Å; L567-Y690 HydrophobicContact CD1-CE1 3.95Å; L567-Y690 HydrophobicContact CD2-CD1 4.01Å; L567-Y690 HydrophobicContact CD2-CE1 3.69Å; L567-Y690 HydrophobicContact CG-CE1 4.48Å; L567-Y693 HydrophobicContact CD2-CD2 4.41Å; L567-Y693 HydrophobicContact CD2-CE2 3.9Å | ||
| 568 | H | 86.1 | Confident | 90.4 | Very high | 106 Ų | 106 | 44.5 Ų | 44.5 | 49% | 0.491 | 22% | 0.221 | S | C | . | . | trans | -112.6 | -117.7 | 177 | -64.7 | -73 | 0 | 0 | 0 | 109 | Y534 G535 W566 | Y534-H568 CarbonylContact C-O 3.57Å; Y534-H568 VanDerWaalsContact C-O 3.27Å; Y534-H568 WeakPolarHBondContact CA-O 3.35Å; Y534-H568 WeakPolarHBondContact CB-O 3.06Å; Y534-H568 PolarHBondContact N-O 2.61Å; G535-H568 PolarHBondContact N-O 3.39Å; W566-H568 PolarHBondContact O-CD2 2.93Å; W566-H568 PolarHBondContact O-N 2.9Å; W566-H568 PolarHBondContact O-NE2 2.92Å | ||
| 569 | E | 85.2 | Confident | 90.2 | Very high | 87 Ų | 87 | 37.6 Ų | 37.6 | 41% | 0.407 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 143.5 | 177.4 | -53.7 | 104 | 124.9 | 0 | 0 | 112.2 | R230 Y531 L532 | R230-E569 IonicContact CZ-OE1 2.85Å; R230-E569 IonicContact NE-OE1 2.72Å; R230-E569 IonicContact NH2-OE1 2.78Å; R230-E569 PolarHBondContact NH2-OE1 3.49Å; Y531-E569 HydrophobicContact CD2-CB 3.59Å; Y531-E569 HydrophobicContact CD2-CG 3.64Å; Y531-E569 HydrophobicContact CE2-CB 4.13Å; Y531-E569 HydrophobicContact CE2-CG 3.65Å; Y531-E569 HydrophobicContact CG-CB 4.19Å; L532-E569 WeakPolarHBondContact O-CA 3.45Å |
| 570 | H | 88.1 | Confident | 90.2 | Very high | 20 Ų | 20 | 36.5 Ų | 36.5 | 9% | 0.093 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 123.7 | 174.3 | 178.6 | 66.2 | 0 | 0 | 0 | 110.7 | Y531 L532 Y534 C572 E591 Y690 | Y531-H570 CarbonylContact C-O 3.55Å; Y531-H570 WeakPolarHBondContact CA-O 3.27Å; Y531-H570 VanDerWaalsContact CB-O 3.29Å; Y531-H570 WeakPolarHBondContact CB-O 3.32Å; L532-H570 PolarHBondContact N-O 3.1Å; L532-H570 PolarHBondContact O-N 3.3Å; Y534-H570 HydrophobicContact CD2-CB 3.64Å; Y534-H570 HydrophobicContact CE2-CB 3.65Å; H570-C572 PolarHBondContact O-N 3.43Å; H570-C572 VanDerWaalsContact O-N 3.11Å; H570-E591 IonicContact CD2-OE1 3.23Å; H570-E591 IonicContact CE1-OE1 2.72Å; H570-E591 IonicContact NE2-OE1 3.91Å; H570-E591 PolarHBondContact NE2-OE1 3.29Å; H570-Y690 AromaticContact CD2-CE2 3.97Å; H570-Y690 AromaticContact CE1-CE2 3.69Å; H570-Y690 AromaticContact CE1-CZ 3.93Å; H570-Y690 AromaticContact CG-CZ 3.95Å; H570-Y690 AromaticContact ND1-CE2 3.98Å; H570-Y690 AromaticContact ND1-CZ 3.76Å; H570-Y690 PolarHBondContact ND1-OH 2.91Å; H570-Y690 AromaticContact NE2-CE2 3.69Å |
| 571 | A | 84.9 | Confident | 90.1 | Very high | 18 Ų | 18 | 41.8 Ų | 41.8 | 15% | 0.149 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 111.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | M243 Q529 E591 | M243-A571 HydrophobicContact CE-CB 4.27Å; M243-A571 WeakPolarHBondContact CE-O 3.27Å; Q529-A571 HydrophobicContact CG-CB 4.33Å; A571-E591 WeakPolarHBondContact O-CG 3.31Å |
| 572 | C | 90.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -101.3 | 7.6 | -172.7 | 69.8 | 0 | 0 | 0 | 0 | 113.5 | F216 W530 L532 H570 E591 S594 | F216-C572 HydrophobicContact CE1-CB 4.2Å; F216-C572 HydrophobicContact CZ-CB 4.33Å; W530-C572 PolarHBondContact O-N 3Å; W530-C572 PolarHBondContact O-SG 2.87Å; L532-C572 HydrophobicContact CD1-CB 3.7Å; L532-C572 HydrophobicContact CG-CB 3.76Å; H570-C572 PolarHBondContact O-N 3.43Å; H570-C572 VanDerWaalsContact O-N 3.11Å; C572-E591 PolarHBondContact O-N 3.16Å; C572-E591 VanDerWaalsContact O-N 3.11Å; C572-S594 WeakPolarHBondContact CB-OG 3.44Å | ||
| 573 | S | 89.3 | Confident | 89.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 154.2 | -172.7 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | Q529 W530 L589 | Q529-S573 WeakPolarHBondContact CG-OG 3.42Å; Q529-S573 PolarHBondContact NE2-O 3.02Å; W530-S573 WeakPolarHBondContact CB-OG 3.31Å; W530-S573 PolarHBondContact N-OG 3.45Å; W530-S573 VanDerWaalsContact N-OG 3.07Å; W530-S573 PolarHBondContact O-OG 3.05Å; W530-S573 VanDerWaalsContact O-OG 3.06Å; S573-L589 CarbonylContact C-O 3.54Å; S573-L589 WeakPolarHBondContact CA-O 3.28Å |
| 574 | R | 84.3 | Confident | 89.9 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 3% | 0.034 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 165.9 | 174.1 | 63.2 | -177.9 | 179.6 | -155 | -12.1 | 111.7 | E246 Y576 L578 W588 L589 | E246-R574 IonicContact OE1-NH1 3.6Å; R574-Y576 WeakPolarHBondContact CD-O 3.42Å; R574-Y576 WeakPolarHBondContact CG-O 3.41Å; R574-Y576 PolarHBondContact NE-O 2.85Å; R574-L578 PolarHBondContact NH2-O 3.01Å; R574-W588 CarbonylContact O-C 3.58Å; R574-W588 WeakPolarHBondContact O-CA 3.3Å; R574-L589 HydrophobicContact CG-CB 4.14Å; R574-L589 PolarHBondContact N-O 3.45Å; R574-L589 PolarHBondContact O-N 3.44Å |
| 575 | T | 81.6 | Confident | 89.6 | Confident | 80 Ų | 80 | 41.4 Ų | 41.4 | 49% | 0.491 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -101.1 | -11.9 | -178.2 | 50.4 | 0 | 0 | 0 | 0 | 114.5 | W588 | T575-W588 HydrophobicContact CG2-CD2 4.18Å; T575-W588 HydrophobicContact CG2-CE3 3.84Å; T575-W588 HydrophobicContact CG2-CH2 3.99Å; T575-W588 HydrophobicContact CG2-CZ2 4.35Å; T575-W588 HydrophobicContact CG2-CZ3 3.74Å |
| 576 | Y | 83.2 | Confident | 89.5 | Confident | 59 Ų | 59 | 42.6 Ų | 42.6 | 23% | 0.231 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -131.9 | 152 | -175.1 | 174.4 | -99.1 | 0 | 0 | 0 | 111.1 | T93 L96 A97 D100 R574 | T93-Y576 HydrophobicContact CG2-CD1 3.67Å; T93-Y576 HydrophobicContact CG2-CE1 4.1Å; T93-Y576 WeakPolarHBondContact CG2-O 3.42Å; L96-Y576 HydrophobicContact CD2-CD2 3.83Å; L96-Y576 HydrophobicContact CD2-CE1 4.31Å; L96-Y576 HydrophobicContact CD2-CE2 3.39Å; L96-Y576 HydrophobicContact CD2-CG 4.45Å; L96-Y576 HydrophobicContact CG-CE2 3.85Å; A97-Y576 VanDerWaalsContact CA-OH 3.27Å; A97-Y576 WeakPolarHBondContact CA-OH 3.25Å; A97-Y576 PolarHBondContact N-OH 3.48Å; D100-Y576 PolarHBondContact OD2-OH 2.91Å; D100-Y576 VanDerWaalsContact OD2-OH 3.06Å; R574-Y576 WeakPolarHBondContact CD-O 3.42Å; R574-Y576 WeakPolarHBondContact CG-O 3.41Å; R574-Y576 PolarHBondContact NE-O 2.85Å |
| 577 | G | 87.1 | Confident | 89.4 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 11% | 0.113 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 112.3 | -171.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G92 L589 | G92-G577 WeakPolarHBondContact O-CA 3.47Å; G577-L589 WeakPolarHBondContact O-CD1 3.46Å |
| 578 | L | 91.8 | Very high | 89.5 | Confident | 23 Ų | 23 | 45.3 Ų | 45.3 | 12% | 0.12 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -101.5 | 147.2 | 172 | -54.4 | 177.9 | 0 | 0 | 0 | 109.5 | T91 G92 I95 L96 P171 L175 T202 R574 | T91-L578 WeakPolarHBondContact CA-O 3.47Å; T91-L578 WeakPolarHBondContact CG2-O 2.98Å; G92-L578 PolarHBondContact N-O 3.23Å; G92-L578 PolarHBondContact O-N 2.98Å; I95-L578 HydrophobicContact CB-CD1 4.08Å; I95-L578 HydrophobicContact CG2-CD1 3.72Å; L96-L578 HydrophobicContact CB-CG 4.39Å; P171-L578 HydrophobicContact CB-CD1 4.24Å; P171-L578 HydrophobicContact CB-CD2 4.26Å; L175-L578 HydrophobicContact CD2-CD1 4.19Å; T202-L578 HydrophobicContact CG2-CB 3.87Å; R574-L578 PolarHBondContact NH2-O 3.01Å |
| 579 | G | 93.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 157.6 | 178.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L589 | G579-L589 WeakPolarHBondContact O-CD2 3.36Š|
| 580 | T | 95.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 136.8 | 173.1 | -70.5 | 0 | 0 | 0 | 0 | 111.1 | D209 V212 R213 L589 I590 | D209-T580 WeakPolarHBondContact OD1-CA 3.49Å; D209-T580 VanDerWaalsContact OD1-CB 3.22Å; D209-T580 WeakPolarHBondContact OD1-CB 3.21Å; D209-T580 WeakPolarHBondContact OD1-CG2 3.36Å; D209-T580 PolarHBondContact OD1-OG1 2.92Å; V212-T580 HydrophobicContact CB-CG2 4.11Å; V212-T580 HydrophobicContact CG1-CG2 3.84Å; R213-T580 HydrophobicContact CG-CG2 3.47Å; R213-T580 VanDerWaalsContact CG-CG2 3.47Å; T580-L589 CarbonylContact O-C 3.55Å; T580-L589 WeakPolarHBondContact O-CA 3.37Å; T580-I590 HydrophobicContact CG2-CD1 3.95Å; T580-I590 PolarHBondContact O-N 3.07Å |
| 581 | R | 95.4 | Very high | 90.3 | Very high | 112 Ų | 112 | 35.6 Ų | 35.6 | 42% | 0.423 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 144.1 | 174.3 | -68.4 | 178.5 | -172.6 | -76.4 | -8.7 | 111.8 | R213 D586 W588 L589 | R213-R581 PolarHBondContact NH1-O 2.85Å; R581-D586 WeakPolarHBondContact CD-O 3.47Å; R581-D586 PolarHBondContact NH1-O 2.91Å; R581-W588 CarbonylContact C-O 3.58Å; R581-W588 WeakPolarHBondContact CA-O 3.28Å; R581-L589 HydrophobicContact CG-CD2 3.75Å |
| 582 | L | 95.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 132.9 | 173.6 | -80.3 | -177.6 | 0 | 0 | 0 | 110 | F216 W530 W584 D585 W588 I590 | F216-L582 HydrophobicContact CD1-CD2 3.52Å; F216-L582 HydrophobicContact CE1-CD2 3.93Å; F216-L582 HydrophobicContact CG-CD2 4.46Å; W530-L582 HydrophobicContact CB-CD1 4.16Å; W530-L582 VanDerWaalsContact CD1-CD1 3.42Å; W530-L582 HydrophobicContact CD2-CD1 4.35Å; W530-L582 HydrophobicContact CG-CD1 3.73Å; L582-W584 VanDerWaalsContact C-N 3.26Å; L582-W584 HydrophobicContact CD1-CZ2 4.46Å; L582-W584 HydrophobicContact CD2-CH2 4.13Å; L582-W584 HydrophobicContact CD2-CZ2 3.81Å; L582-W584 PolarHBondContact O-N 3.23Å; L582-D585 HydrophobicContact CB-CB 4.44Å; L582-D585 WeakPolarHBondContact CB-O 3.5Å; L582-D585 CarbonylContact O-C 3.49Å; L582-D585 PolarHBondContact O-N 3.07Å; L582-W588 HydrophobicContact CB-CB 4.41Å; L582-W588 HydrophobicContact CD1-CB 3.7Å; L582-W588 HydrophobicContact CD1-CG 4.33Å; L582-W588 HydrophobicContact CG-CB 4.09Å; L582-W588 PolarHBondContact N-O 3.39Å; L582-I590 HydrophobicContact CD2-CD1 4.08Å; L582-I590 HydrophobicContact CD2-CG1 3.53Å; L582-I590 HydrophobicContact CG-CG1 4.13Å |
| 583 | P | 94.4 | Very high | 90.4 | Very high | 29 Ų | 29 | 36 Ų | 36 | 19% | 0.188 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -29.2 | -173 | -25.2 | 33.4 | 0 | 0 | 0 | 115.3 | R213 L217 | R213-P583 HydrophobicContact CB-CG 3.71Å; R213-P583 HydrophobicContact CG-CG 3.95Å; R213-P583 WeakPolarHBondContact O-CG 3.21Å; L217-P583 HydrophobicContact CD1-CB 4.13Å; L217-P583 HydrophobicContact CD1-CG 4.4Å; L217-P583 HydrophobicContact CD2-CB 3.86Å; L217-P583 HydrophobicContact CD2-CG 4.39Å; L217-P583 HydrophobicContact CG-CB 3.84Å; L217-P583 HydrophobicContact CG-CG 3.93Å |
| 584 | W | 95.1 | Very high | 90.6 | Very high | 70 Ų | 70 | 36 Ų | 36 | 27% | 0.265 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -2.5 | -177.1 | 56 | 83.5 | 0 | 0 | 0 | 113.6 | F216 L217 K220 I225 W530 L582 | F216-W584 HydrophobicContact CB-CH2 3.9Å; F216-W584 HydrophobicContact CB-CZ3 4.12Å; F216-W584 HydrophobicContact CD1-CH2 4.14Å; F216-W584 WeakPolarHBondContact O-CH2 3.48Å; F216-W584 WeakPolarHBondContact O-CZ3 3.38Å; L217-W584 HydrophobicContact CD2-CE3 3.84Å; L217-W584 HydrophobicContact CD2-CZ3 4.06Å; L217-W584 HydrophobicContact CG-CZ3 4.37Å; K220-W584 HydrophobicContact CB-CH2 3.74Å; K220-W584 HydrophobicContact CB-CZ2 4.29Å; K220-W584 HydrophobicContact CB-CZ3 3.88Å; K220-W584 HydrophobicContact CD-CD2 3.36Å; K220-W584 VanDerWaalsContact CD-CE2 3.45Å; K220-W584 HydrophobicContact CD-CE3 3.45Å; K220-W584 VanDerWaalsContact CD-CE3 3.45Å; K220-W584 HydrophobicContact CD-CG 4.01Å; K220-W584 HydrophobicContact CD-CH2 3.72Å; K220-W584 HydrophobicContact CD-CZ2 3.65Å; K220-W584 HydrophobicContact CD-CZ3 3.63Å; K220-W584 HydrophobicContact CG-CH2 4.3Å; K220-W584 HydrophobicContact CG-CZ2 4.42Å; K220-W584 HydrophobicContact CG-CZ3 4.41Å; I225-W584 HydrophobicContact CD1-CH2 3.75Å; I225-W584 HydrophobicContact CD1-CZ2 4.15Å; I225-W584 HydrophobicContact CG2-CZ2 4.17Å; W530-W584 AromaticContact CD2-NE1 3.9Å; W530-W584 AromaticContact CE2-NE1 3.57Å; W530-W584 AromaticContact CE3-NE1 3.98Å; W530-W584 AromaticContact CH2-CD1 3.84Å; W530-W584 AromaticContact CH2-NE1 3.44Å; W530-W584 AromaticContact CZ2-CD1 3.63Å; W530-W584 AromaticContact CZ2-NE1 3.34Å; W530-W584 VanDerWaalsContact CZ2-NE1 3.34Å; W530-W584 AromaticContact CZ3-NE1 3.75Å; L582-W584 VanDerWaalsContact C-N 3.26Å; L582-W584 HydrophobicContact CD1-CZ2 4.46Å; L582-W584 HydrophobicContact CD2-CH2 4.13Å; L582-W584 HydrophobicContact CD2-CZ2 3.81Å; L582-W584 PolarHBondContact O-N 3.23Å |
| 585 | D | 91.4 | Very high | 91 | Very high | 34 Ų | 34 | 35.6 Ų | 35.6 | 18% | 0.182 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 82.5 | -177.1 | -166.6 | -8 | 0 | 0 | 0 | 109.8 | W530 L582 K587 W588 | W530-D585 PolarHBondContact NE1-OD2 3.13Å; L582-D585 HydrophobicContact CB-CB 4.44Å; L582-D585 WeakPolarHBondContact CB-O 3.5Å; L582-D585 CarbonylContact O-C 3.49Å; L582-D585 PolarHBondContact O-N 3.07Å; D585-K587 PolarHBondContact O-N 3.08Å; D585-W588 PolarHBondContact O-N 2.91Å; D585-W588 PolarHBondContact OD2-NE1 3.38Å |
| 586 | D | 88.7 | Confident | 91.5 | Very high | 109 Ų | 109 | 31.8 Ų | 31.8 | 58% | 0.583 | 15% | 0.147 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | -12.8 | -170.6 | 64.5 | -3.9 | 0 | 0 | 0 | 115.1 | R581 W588 | R581-D586 WeakPolarHBondContact CD-O 3.47Å; R581-D586 PolarHBondContact NH1-O 2.91Å; D586-W588 PolarHBondContact O-N 3.26Å |
| 587 | K | 87.3 | Confident | 92.1 | Very high | 152 Ų | 152 | 29 Ų | 29 | 66% | 0.661 | 14% | 0.136 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67 | -23.6 | 173.2 | -63.1 | 177.8 | -176.2 | 173.4 | 0 | 112.4 | D585 | D585-K587 PolarHBondContact O-N 3.08Å |
| 588 | W | 90.2 | Very high | 92.6 | Very high | 32 Ų | 32 | 28.5 Ų | 28.5 | 12% | 0.121 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 139.7 | -177 | -62.8 | 86.2 | 0 | 0 | 0 | 111.5 | D528 Q529 W530 R574 T575 R581 L582 D585 D586 | D528-W588 WeakPolarHBondContact O-CH2 3.19Å; D528-W588 WeakPolarHBondContact O-CZ2 3.36Å; Q529-W588 HydrophobicContact CG-CH2 4.49Å; Q529-W588 HydrophobicContact CG-CZ3 4.11Å; W530-W588 AromaticContact NE1-CD1 3.99Å; R574-W588 CarbonylContact O-C 3.58Å; R574-W588 WeakPolarHBondContact O-CA 3.3Å; T575-W588 HydrophobicContact CG2-CD2 4.18Å; T575-W588 HydrophobicContact CG2-CE3 3.84Å; T575-W588 HydrophobicContact CG2-CH2 3.99Å; T575-W588 HydrophobicContact CG2-CZ2 4.35Å; T575-W588 HydrophobicContact CG2-CZ3 3.74Å; R581-W588 CarbonylContact C-O 3.58Å; R581-W588 WeakPolarHBondContact CA-O 3.28Å; L582-W588 HydrophobicContact CB-CB 4.41Å; L582-W588 HydrophobicContact CD1-CB 3.7Å; L582-W588 HydrophobicContact CD1-CG 4.33Å; L582-W588 HydrophobicContact CG-CB 4.09Å; L582-W588 PolarHBondContact N-O 3.39Å; D585-W588 PolarHBondContact O-N 2.91Å; D585-W588 PolarHBondContact OD2-NE1 3.38Å; D586-W588 PolarHBondContact O-N 3.26Å |
| 589 | L | 92.4 | Very high | 92.8 | Very high | 9 Ų | 9 | 27.4 Ų | 27.4 | 5% | 0.047 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 142.6 | 166.6 | -62.6 | 165.6 | 0 | 0 | 0 | 108.9 | S573 R574 G577 G579 T580 R581 | S573-L589 CarbonylContact C-O 3.54Å; S573-L589 WeakPolarHBondContact CA-O 3.28Å; R574-L589 HydrophobicContact CG-CB 4.14Å; R574-L589 PolarHBondContact N-O 3.45Å; R574-L589 PolarHBondContact O-N 3.44Å; G577-L589 WeakPolarHBondContact O-CD1 3.46Å; G579-L589 WeakPolarHBondContact O-CD2 3.36Å; T580-L589 CarbonylContact O-C 3.55Å; T580-L589 WeakPolarHBondContact O-CA 3.37Å; R581-L589 HydrophobicContact CG-CD2 3.75Å |
| 590 | I | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 134.1 | 166.2 | -64.7 | 168.2 | 0 | 0 | 0 | 107.9 | V212 F216 T580 L582 D595 | V212-I590 HydrophobicContact CG1-CD1 3.58Å; F216-I590 HydrophobicContact CB-CD1 4.12Å; F216-I590 HydrophobicContact CD1-CD1 3.74Å; F216-I590 HydrophobicContact CD1-CG1 3.92Å; F216-I590 HydrophobicContact CD2-CD1 3.61Å; F216-I590 HydrophobicContact CD2-CG1 4.4Å; F216-I590 HydrophobicContact CD2-CG2 4.41Å; F216-I590 HydrophobicContact CE1-CB 4.46Å; F216-I590 HydrophobicContact CE1-CD1 4Å; F216-I590 HydrophobicContact CE1-CG1 3.79Å; F216-I590 HydrophobicContact CE1-CG2 3.93Å; F216-I590 HydrophobicContact CE2-CD1 3.89Å; F216-I590 HydrophobicContact CE2-CG1 4.28Å; F216-I590 HydrophobicContact CE2-CG2 3.57Å; F216-I590 HydrophobicContact CG-CD1 3.52Å; F216-I590 HydrophobicContact CG-CG1 4.22Å; F216-I590 HydrophobicContact CZ-CB 4.24Å; F216-I590 HydrophobicContact CZ-CD1 4.07Å; F216-I590 HydrophobicContact CZ-CG1 3.97Å; F216-I590 HydrophobicContact CZ-CG2 3.28Å; T580-I590 HydrophobicContact CG2-CD1 3.95Å; T580-I590 PolarHBondContact O-N 3.07Å; L582-I590 HydrophobicContact CD2-CD1 4.08Å; L582-I590 HydrophobicContact CD2-CG1 3.53Å; L582-I590 HydrophobicContact CG-CG1 4.13Å; I590-D595 HydrophobicContact CG2-CB 3.8Å |
| 591 | E | 89.5 | Confident | 93.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | P | Polyproline II helix | trans | -78.6 | 155.3 | 179 | 76 | 80.5 | -158.1 | 0 | 0 | 112 | M243 H245 H570 A571 C572 L593 S594 D595 | M243-E591 HydrophobicContact CE-CG 4.24Å; H245-E591 IonicContact CE1-OE2 3.12Å; H570-E591 IonicContact CD2-OE1 3.23Å; H570-E591 IonicContact CE1-OE1 2.72Å; H570-E591 IonicContact NE2-OE1 3.91Å; H570-E591 PolarHBondContact NE2-OE1 3.29Å; A571-E591 WeakPolarHBondContact O-CG 3.31Å; C572-E591 PolarHBondContact O-N 3.16Å; C572-E591 VanDerWaalsContact O-N 3.11Å; E591-L593 VanDerWaalsContact C-N 3.34Å; E591-L593 VanDerWaalsContact CD-N 3.29Å; E591-L593 PolarHBondContact O-N 3.43Å; E591-L593 WeakPolarHBondContact OE1-CA 3.39Å; E591-L593 WeakPolarHBondContact OE1-CB 3.39Å; E591-L593 PolarHBondContact OE1-N 3.13Å; E591-L593 PolarHBondContact OE2-N 3.37Å; E591-S594 PolarHBondContact O-N 2.88Å; E591-S594 VanDerWaalsContact OE1-CB 3.32Å; E591-S594 WeakPolarHBondContact OE1-CB 3.41Å; E591-S594 PolarHBondContact OE1-N 3.1Å; E591-S594 PolarHBondContact OE1-OG 2.84Å; E591-D595 PolarHBondContact O-N 3Å |
| 592 | S | 89.6 | Confident | 93.3 | Very high | 4 Ų | 4 | 22 Ų | 22 | 3% | 0.028 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -19.9 | -164.9 | 52.2 | 0 | 0 | 0 | 0 | 116.7 | T91 H245 D595 S596 | T91-S592 WeakPolarHBondContact O-CB 3.34Å; H245-S592 PolarHBondContact CE1-OG 3.02Å; H245-S592 VanDerWaalsContact CE1-OG 3.24Å; H245-S592 PolarHBondContact NE2-OG 2.75Å; S592-D595 WeakPolarHBondContact CA-OD1 3.4Å; S592-D595 VanDerWaalsContact O-OD1 3.07Å; S592-S596 WeakPolarHBondContact O-CB 3.14Å; S592-S596 PolarHBondContact O-OG 2.93Å; S592-S596 VanDerWaalsContact O-OG 3.1Å |
| 593 | L | 89.2 | Confident | 93.4 | Very high | 23 Ų | 23 | 22 Ų | 22 | 12% | 0.12 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -13.5 | 173.6 | -59.9 | 176.4 | 0 | 0 | 0 | 112.2 | E591 S596 T597 H687 Y690 | E591-L593 VanDerWaalsContact C-N 3.34Å; E591-L593 VanDerWaalsContact CD-N 3.29Å; E591-L593 PolarHBondContact O-N 3.43Å; E591-L593 WeakPolarHBondContact OE1-CA 3.39Å; E591-L593 WeakPolarHBondContact OE1-CB 3.39Å; E591-L593 PolarHBondContact OE1-N 3.13Å; E591-L593 PolarHBondContact OE2-N 3.37Å; L593-S596 PolarHBondContact O-OG 3.2Å; L593-T597 WeakPolarHBondContact O-CG2 3.21Å; L593-H687 HydrophobicContact CD2-CB 4.33Å; L593-Y690 HydrophobicContact CB-CD2 4.08Å; L593-Y690 HydrophobicContact CB-CE2 4.1Å; L593-Y690 HydrophobicContact CD1-CE2 4.19Å |
| 594 | S | 92.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -34.3 | -176.8 | -61.8 | 0 | 0 | 0 | 0 | 112.4 | C572 E591 S596 T597 | C572-S594 WeakPolarHBondContact CB-OG 3.44Å; E591-S594 PolarHBondContact O-N 2.88Å; E591-S594 VanDerWaalsContact OE1-CB 3.32Å; E591-S594 WeakPolarHBondContact OE1-CB 3.41Å; E591-S594 PolarHBondContact OE1-N 3.1Å; E591-S594 PolarHBondContact OE1-OG 2.84Å; S594-S596 PolarHBondContact O-N 3.35Å; S594-T597 PolarHBondContact O-OG1 3.34Å; S594-T597 VanDerWaalsContact O-OG1 3.12Å |
| 595 | D | 91.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -10.7 | 171.3 | 76.3 | -23.1 | 0 | 0 | 0 | 113.2 | T91 Y208 V212 I590 E591 S592 | T91-D595 WeakPolarHBondContact CB-OD2 3.31Å; T91-D595 WeakPolarHBondContact CG2-OD2 3.25Å; T91-D595 PolarHBondContact OG1-OD2 3.47Å; Y208-D595 PolarHBondContact OH-O 3.06Å; V212-D595 HydrophobicContact CB-CB 4.46Å; V212-D595 HydrophobicContact CG1-CB 3.56Å; V212-D595 HydrophobicContact CG2-CB 3.97Å; I590-D595 HydrophobicContact CG2-CB 3.8Å; E591-D595 PolarHBondContact O-N 3Å; S592-D595 WeakPolarHBondContact CA-OD1 3.4Å; S592-D595 VanDerWaalsContact O-OD1 3.07Å |
| 596 | S | 92.6 | Very high | 94 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 30.5 | -173.6 | 76.2 | 0 | 0 | 0 | 0 | 114 | Y50 S592 L593 S594 Y599 H687 | Y50-S596 WeakPolarHBondContact OH-CA 3.37Å; Y50-S596 WeakPolarHBondContact OH-CB 3.38Å; S592-S596 WeakPolarHBondContact O-CB 3.14Å; S592-S596 PolarHBondContact O-OG 2.93Å; S592-S596 VanDerWaalsContact O-OG 3.1Å; L593-S596 PolarHBondContact O-OG 3.2Å; S594-S596 PolarHBondContact O-N 3.35Å; S596-Y599 VanDerWaalsContact C-CD1 3.43Å; S596-Y599 VanDerWaalsContact O-CD1 3.26Å; S596-Y599 WeakPolarHBondContact O-CD1 3.4Å; S596-Y599 WeakPolarHBondContact O-CE1 3.3Å; S596-H687 PolarHBondContact O-CE1 3.44Å; S596-H687 PolarHBondContact O-NE2 3.47Å; S596-H687 PolarHBondContact OG-CD2 3.12Å; S596-H687 PolarHBondContact OG-NE2 2.79Å |
| 597 | T | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -111 | -24.6 | -167.8 | 55.4 | 0 | 0 | 0 | 0 | 115.5 | Q215 L593 S594 Y691 N694 H695 | Q215-T597 PolarHBondContact NE2-OG1 3.21Å; L593-T597 WeakPolarHBondContact O-CG2 3.21Å; S594-T597 PolarHBondContact O-OG1 3.34Å; S594-T597 VanDerWaalsContact O-OG1 3.12Å; T597-Y691 VanDerWaalsContact O-CD2 3.27Å; T597-Y691 WeakPolarHBondContact O-CD2 3.41Å; T597-N694 WeakPolarHBondContact CB-ND2 3.49Å; T597-N694 WeakPolarHBondContact OG1-CB 3.35Å; T597-N694 PolarHBondContact OG1-ND2 3.26Å; T597-N694 PolarHBondContact OG1-OD1 3.43Å; T597-H695 PolarHBondContact O-CE1 3.2Å; T597-H695 PolarHBondContact O-ND1 2.77Å |
| 598 | I | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 2% | 0.021 | C | C | . | . | S | Bend | trans | -131.4 | 12.3 | 175.6 | 60.2 | 151.4 | 0 | 0 | 0 | 113.9 | F211 W214 Q215 M600 A601 N694 I698 W699 | F211-I598 HydrophobicContact CE1-CD1 4.32Å; F211-I598 HydrophobicContact CE1-CG1 4.15Å; F211-I598 HydrophobicContact CE2-CD1 4.09Å; F211-I598 HydrophobicContact CZ-CD1 3.55Å; F211-I598 HydrophobicContact CZ-CG1 3.73Å; W214-I598 HydrophobicContact CZ3-CD1 3.78Å; Q215-I598 HydrophobicContact CB-CD1 4.04Å; Q215-I598 HydrophobicContact CB-CG1 4.5Å; Q215-I598 VanDerWaalsContact CD-CG1 3.49Å; Q215-I598 HydrophobicContact CG-CD1 3.75Å; Q215-I598 HydrophobicContact CG-CG1 3.93Å; I598-M600 PolarHBondContact O-N 3.42Å; I598-A601 WeakPolarHBondContact O-CB 3.21Å; I598-A601 PolarHBondContact O-N 3.18Å; I598-N694 HydrophobicContact CG2-CB 3.87Å; I598-I698 HydrophobicContact CD1-CD1 4.47Å; I598-I698 HydrophobicContact CD1-CG1 4.15Å; I598-I698 HydrophobicContact CD1-CG2 4.42Å; I598-I698 HydrophobicContact CG2-CG1 4.33Å; I598-W699 HydrophobicContact CB-CH2 4.33Å; I598-W699 HydrophobicContact CB-CZ3 4.38Å; I598-W699 HydrophobicContact CG2-CH2 4.45Å; I598-W699 HydrophobicContact CG2-CZ3 4.03Å |
| 599 | Y | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -57.4 | -15.9 | -177.6 | 69.2 | -87.1 | 0 | 0 | 0 | 114.5 | F48 P49 Y50 F199 Y208 S596 A601 Y602 Y603 R677 | F48-Y599 PolarHBondContact O-OH 3.4Å; P49-Y599 WeakPolarHBondContact CA-OH 3.43Å; Y50-Y599 AromaticContact CD1-CD2 3.92Å; Y50-Y599 HydrophobicContact CD1-CD2 3.92Å; Y50-Y599 AromaticContact CD1-CE2 3.61Å; Y50-Y599 HydrophobicContact CD1-CE2 3.61Å; Y50-Y599 HydrophobicContact CD1-CG 4.47Å; Y50-Y599 AromaticContact CD1-CZ 3.93Å; Y50-Y599 HydrophobicContact CE1-CD1 4.04Å; Y50-Y599 AromaticContact CE1-CD2 3.73Å; Y50-Y599 HydrophobicContact CE1-CD2 3.73Å; Y50-Y599 HydrophobicContact CE1-CE1 4.11Å; Y50-Y599 AromaticContact CE1-CE2 3.78Å; Y50-Y599 HydrophobicContact CE1-CE2 3.78Å; Y50-Y599 AromaticContact CE1-CG 3.83Å; Y50-Y599 HydrophobicContact CE1-CG 3.83Å; Y50-Y599 AromaticContact CE1-CZ 3.96Å; Y50-Y599 HydrophobicContact CG-CE2 4.33Å; F199-Y599 HydrophobicContact CZ-CD2 4.38Å; Y208-Y599 WeakPolarHBondContact OH-CB 3.46Å; S596-Y599 VanDerWaalsContact C-CD1 3.43Å; S596-Y599 VanDerWaalsContact O-CD1 3.26Å; S596-Y599 WeakPolarHBondContact O-CD1 3.4Å; S596-Y599 WeakPolarHBondContact O-CE1 3.3Å; Y599-A601 PolarHBondContact O-N 2.64Å; Y599-Y602 WeakPolarHBondContact O-CB 3.41Å; Y599-Y602 PolarHBondContact O-N 3.19Å; Y599-Y602 VanDerWaalsContact O-N 3.09Å; Y599-Y603 HydrophobicContact CD2-CD2 4.2Å; Y599-Y603 AromaticContact CD2-CE2 3.51Å; Y599-Y603 HydrophobicContact CD2-CE2 3.51Å; Y599-Y603 AromaticContact CD2-CZ 3.76Å; Y599-Y603 HydrophobicContact CE2-CD2 4.41Å; Y599-Y603 AromaticContact CE2-CE2 3.39Å; Y599-Y603 HydrophobicContact CE2-CE2 3.39Å; Y599-Y603 AromaticContact CE2-CZ 3.68Å; Y599-Y603 WeakPolarHBondContact CE2-OH 3.29Å; Y599-Y603 PolarHBondContact O-N 3.05Å; Y599-Y603 VanDerWaalsContact O-N 3.11Å; Y599-R677 VanDerWaalsContact OH-CZ 3.28Å; Y599-R677 PolarHBondContact OH-NH1 3.32Å; Y599-R677 PolarHBondContact OH-NH2 2.94Å |
| 600 | M | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -62.5 | -31.5 | 172.9 | -53.6 | 79.4 | 169.4 | 0 | 0 | 112.4 | F45 T47 I598 Y602 Y603 Y672 V674 R677 Y691 | F45-M600 HydrophobicContact CE1-CB 4.13Å; F45-M600 HydrophobicContact CZ-CB 4.05Å; F45-M600 WeakPolarHBondContact CZ-O 3.1Å; T47-M600 HydrophobicContact CG2-CB 4.19Å; T47-M600 HydrophobicContact CG2-CG 3.73Å; I598-M600 PolarHBondContact O-N 3.42Å; M600-Y602 VanDerWaalsContact C-N 3.34Å; M600-Y603 HydrophobicContact CB-CD2 4.45Å; M600-Y603 WeakPolarHBondContact O-CB 3.47Å; M600-Y603 PolarHBondContact O-N 2.92Å; M600-Y672 HydrophobicContact CB-CE2 4.05Å; M600-V674 HydrophobicContact CB-CG2 3.49Å; M600-V674 VanDerWaalsContact CB-CG2 3.49Å; M600-V674 HydrophobicContact CG-CG2 3.78Å; M600-R677 VanDerWaalsContact CE-CZ 3.42Å; M600-R677 VanDerWaalsContact CE-NH1 3.3Å; M600-Y691 HydrophobicContact CE-CD2 3.62Å; M600-Y691 HydrophobicContact CE-CE2 3.4Å; M600-Y691 VanDerWaalsContact CE-CE2 3.4Å; M600-Y691 HydrophobicContact CG-CE2 4.48Å; M600-Y691 HydrophobicContact SD-CD2 4Å; M600-Y691 HydrophobicContact SD-CE2 3.59Å; M600-Y691 VanDerWaalsContact SD-CE2 3.59Å |
| 601 | A | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -64.8 | -41.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | I598 Y599 Y603 T604 F638 F668 Y672 W699 | I598-A601 WeakPolarHBondContact O-CB 3.21Å; I598-A601 PolarHBondContact O-N 3.18Å; Y599-A601 PolarHBondContact O-N 2.64Å; A601-Y603 VanDerWaalsContact C-N 3.34Å; A601-Y603 PolarHBondContact O-N 2.89Å; A601-T604 WeakPolarHBondContact O-CB 3.24Å; A601-T604 PolarHBondContact O-N 2.76Å; A601-T604 VanDerWaalsContact O-N 3.13Å; A601-T604 PolarHBondContact O-OG1 2.7Å; A601-F638 HydrophobicContact CB-CD1 4.06Å; A601-F638 HydrophobicContact CB-CE1 3.8Å; A601-F638 HydrophobicContact CB-CZ 4.2Å; A601-F638 WeakPolarHBondContact O-CE1 3.35Å; A601-F668 HydrophobicContact CB-CD2 4.21Å; A601-F668 HydrophobicContact CB-CE2 3.74Å; A601-Y672 HydrophobicContact CB-CE2 4.07Å; A601-W699 HydrophobicContact CB-CH2 3.85Å; A601-W699 HydrophobicContact CB-CZ2 4.16Å |
| 602 | Y | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -62.7 | -37.8 | 176.4 | 179.4 | -101.8 | 0 | 0 | 0 | 112.6 | F199 Y207 Y208 F211 Y599 M600 T604 I605 A606 L609 Q610 W634 | F199-Y602 AromaticContact CD1-CD1 3.85Å; F199-Y602 HydrophobicContact CD1-CD1 3.85Å; F199-Y602 AromaticContact CD1-CE1 3.56Å; F199-Y602 HydrophobicContact CD1-CE1 3.56Å; F199-Y602 HydrophobicContact CD2-CE1 4.29Å; F199-Y602 AromaticContact CE1-CD1 3.39Å; F199-Y602 HydrophobicContact CE1-CD1 3.39Å; F199-Y602 AromaticContact CE1-CE1 3.63Å; F199-Y602 HydrophobicContact CE1-CE1 3.63Å; F199-Y602 HydrophobicContact CE2-CD1 4.31Å; F199-Y602 HydrophobicContact CE2-CE1 4.39Å; F199-Y602 HydrophobicContact CG-CD1 4.46Å; F199-Y602 AromaticContact CG-CE1 3.91Å; F199-Y602 HydrophobicContact CG-CE1 3.91Å; F199-Y602 AromaticContact CZ-CD1 3.67Å; F199-Y602 HydrophobicContact CZ-CD1 3.67Å; F199-Y602 HydrophobicContact CZ-CE1 4.08Å; Y207-Y602 WeakPolarHBondContact CB-OH 3.36Å; Y208-Y602 AromaticContact CD2-CD1 3.86Å; Y208-Y602 HydrophobicContact CD2-CD1 3.86Å; Y208-Y602 HydrophobicContact CD2-CE1 4.08Å; Y208-Y602 HydrophobicContact CD2-CG 4.3Å; Y208-Y602 HydrophobicContact CE2-CD1 4.47Å; F211-Y602 HydrophobicContact CB-CD2 4.2Å; F211-Y602 HydrophobicContact CD1-CG 4.49Å; F211-Y602 HydrophobicContact CD2-CD2 4.46Å; F211-Y602 HydrophobicContact CG-CD2 4.19Å; F211-Y602 HydrophobicContact CG-CG 4.44Å; Y599-Y602 WeakPolarHBondContact O-CB 3.41Å; Y599-Y602 PolarHBondContact O-N 3.19Å; Y599-Y602 VanDerWaalsContact O-N 3.09Å; M600-Y602 VanDerWaalsContact C-N 3.34Å; Y602-T604 PolarHBondContact O-N 3.44Å; Y602-T604 VanDerWaalsContact O-N 3.1Å; Y602-I605 PolarHBondContact O-N 3.41Å; Y602-I605 VanDerWaalsContact O-N 3.08Å; Y602-A606 HydrophobicContact CD1-CB 4.21Å; Y602-A606 HydrophobicContact CE1-CB 3.87Å; Y602-A606 WeakPolarHBondContact O-CB 3.43Å; Y602-A606 PolarHBondContact O-N 3.38Å; Y602-L609 HydrophobicContact CE2-CD1 4.07Å; Y602-Q610 PolarHBondContact OH-NE2 2.95Å; Y602-Q610 VanDerWaalsContact OH-NE2 3.1Å; Y602-Q610 PolarHBondContact OH-OE1 3.02Å; Y602-W634 AromaticContact CD2-CH2 4Å; Y602-W634 HydrophobicContact CD2-CH2 4Å; Y602-W634 HydrophobicContact CD2-CZ3 4.38Å; Y602-W634 HydrophobicContact CE2-CH2 4.01Å |
| 603 | Y | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 6.9 Ų | 6.9 | 0% | 0.004 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -54 | -33.4 | 174.1 | -76.5 | -46.1 | 0 | 0 | 0 | 113.8 | F45 T47 P85 G87 R197 F199 Y599 M600 A601 I605 | F45-Y603 HydrophobicContact CZ-CD2 4.24Å; T47-Y603 HydrophobicContact CG2-CD2 4.34Å; T47-Y603 HydrophobicContact CG2-CE2 4.47Å; P85-Y603 HydrophobicContact CB-CD1 3.52Å; P85-Y603 HydrophobicContact CB-CD2 4.18Å; P85-Y603 HydrophobicContact CB-CE1 4.01Å; P85-Y603 HydrophobicContact CB-CG 3.67Å; P85-Y603 HydrophobicContact CG-CD1 3.72Å; P85-Y603 HydrophobicContact CG-CD2 3.41Å; P85-Y603 VanDerWaalsContact CG-CD2 3.41Å; P85-Y603 HydrophobicContact CG-CE1 4.26Å; P85-Y603 HydrophobicContact CG-CE2 3.99Å; P85-Y603 HydrophobicContact CG-CG 3.31Å; G87-Y603 WeakPolarHBondContact CA-OH 3.46Å; G87-Y603 PolarHBondContact N-OH 2.56Å; R197-Y603 PolarHBondContact NH1-O 3.37Å; F199-Y603 HydrophobicContact CD1-CD1 4.18Å; F199-Y603 AromaticContact CD1-CE1 3.95Å; F199-Y603 HydrophobicContact CD1-CE1 3.95Å; F199-Y603 AromaticContact CE1-CD1 3.42Å; F199-Y603 HydrophobicContact CE1-CD1 3.42Å; F199-Y603 VanDerWaalsContact CE1-CD1 3.42Å; F199-Y603 AromaticContact CE1-CE1 3.2Å; F199-Y603 HydrophobicContact CE1-CE1 3.2Å; F199-Y603 HydrophobicContact CE1-CG 4.4Å; F199-Y603 HydrophobicContact CZ-CD1 4.31Å; F199-Y603 AromaticContact CZ-CE1 3.87Å; F199-Y603 HydrophobicContact CZ-CE1 3.87Å; Y599-Y603 HydrophobicContact CD2-CD2 4.2Å; Y599-Y603 AromaticContact CD2-CE2 3.51Å; Y599-Y603 HydrophobicContact CD2-CE2 3.51Å; Y599-Y603 AromaticContact CD2-CZ 3.76Å; Y599-Y603 HydrophobicContact CE2-CD2 4.41Å; Y599-Y603 AromaticContact CE2-CE2 3.39Å; Y599-Y603 HydrophobicContact CE2-CE2 3.39Å; Y599-Y603 AromaticContact CE2-CZ 3.68Å; Y599-Y603 WeakPolarHBondContact CE2-OH 3.29Å; Y599-Y603 PolarHBondContact O-N 3.05Å; Y599-Y603 VanDerWaalsContact O-N 3.11Å; M600-Y603 HydrophobicContact CB-CD2 4.45Å; M600-Y603 WeakPolarHBondContact O-CB 3.47Å; M600-Y603 PolarHBondContact O-N 2.92Å; A601-Y603 VanDerWaalsContact C-N 3.34Å; A601-Y603 PolarHBondContact O-N 2.89Å; Y603-I605 PolarHBondContact O-N 3.37Å |
| 604 | T | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.2 | -26.7 | -177.2 | 70 | 0 | 0 | 0 | 0 | 111.9 | F45 R197 A601 Y602 H607 E667 F668 W671 Y672 | F45-T604 HydrophobicContact CE1-CG2 4.08Å; R197-T604 PolarHBondContact NH1-O 2.88Å; A601-T604 WeakPolarHBondContact O-CB 3.24Å; A601-T604 PolarHBondContact O-N 2.76Å; A601-T604 VanDerWaalsContact O-N 3.13Å; A601-T604 PolarHBondContact O-OG1 2.7Å; Y602-T604 PolarHBondContact O-N 3.44Å; Y602-T604 VanDerWaalsContact O-N 3.1Å; T604-H607 PolarHBondContact O-CE1 2.94Å; T604-E667 WeakPolarHBondContact O-CG 3.08Å; T604-F668 HydrophobicContact CG2-CD2 4.26Å; T604-F668 WeakPolarHBondContact OG1-CA 3.23Å; T604-W671 HydrophobicContact CG2-CB 3.69Å; T604-Y672 HydrophobicContact CG2-CD2 4.11Å |
| 605 | I | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -121.4 | -5.9 | -178.2 | 56.8 | 162.4 | 0 | 0 | 0 | 114.5 | Y602 Y603 H607 L608 L609 W634 I637 F638 L664 E667 | Y602-I605 PolarHBondContact O-N 3.41Å; Y602-I605 VanDerWaalsContact O-N 3.08Å; Y603-I605 PolarHBondContact O-N 3.37Å; I605-H607 VanDerWaalsContact C-N 3.29Å; I605-H607 PolarHBondContact O-N 3.32Å; I605-H607 VanDerWaalsContact O-N 3.17Å; I605-L608 WeakPolarHBondContact O-CB 3.17Å; I605-L608 PolarHBondContact O-N 2.56Å; I605-L609 HydrophobicContact CD1-CD1 4.06Å; I605-L609 HydrophobicContact CG1-CD1 4.5Å; I605-L609 PolarHBondContact O-N 3.03Å; I605-W634 HydrophobicContact CD1-CZ3 3.79Å; I605-I637 HydrophobicContact CD1-CD1 4.24Å; I605-I637 HydrophobicContact CD1-CG2 3.92Å; I605-F638 HydrophobicContact CD1-CE1 4.38Å; I605-F638 HydrophobicContact CD1-CE2 4.46Å; I605-F638 HydrophobicContact CD1-CZ 3.77Å; I605-F638 HydrophobicContact CG1-CZ 4.07Å; I605-L664 HydrophobicContact CB-CD2 3.9Å; I605-L664 HydrophobicContact CD1-CD2 4.28Å; I605-L664 HydrophobicContact CG2-CB 4.34Å; I605-L664 HydrophobicContact CG2-CD2 4.04Å; I605-L664 VanDerWaalsContact CG2-O 3.27Å; I605-L664 WeakPolarHBondContact CG2-O 3.28Å; I605-E667 HydrophobicContact CG2-CB 4Å; I605-E667 HydrophobicContact CG2-CG 4.18Å |
| 606 | A | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -50.1 | -44.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R197 Y602 L608 L609 Q610 | R197-A606 HydrophobicContact CB-CB 4.33Å; Y602-A606 HydrophobicContact CD1-CB 4.21Å; Y602-A606 HydrophobicContact CE1-CB 3.87Å; Y602-A606 WeakPolarHBondContact O-CB 3.43Å; Y602-A606 PolarHBondContact O-N 3.38Å; A606-L608 PolarHBondContact O-N 3.28Å; A606-L609 PolarHBondContact O-N 2.63Å; A606-L609 VanDerWaalsContact O-N 3.11Å; A606-Q610 PolarHBondContact O-N 2.97Å |
| 607 | H | 96.7 | Very high | 95.1 | Very high | 8 Ų | 8 | 16.1 Ų | 16.1 | 4% | 0.037 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.6 | -28.4 | 178.1 | 68.8 | -59.2 | 0 | 0 | 0 | 114.2 | D32 R196 R197 T604 I605 G611 P621 E667 | D32-H607 IonicContact OD1-CD2 3.19Å; D32-H607 PolarHBondContact OD1-CD2 3.06Å; D32-H607 IonicContact OD1-NE2 2.78Å; D32-H607 PolarHBondContact OD1-NE2 3.23Å; R196-H607 HydrophobicContact CB-CB 3.73Å; R196-H607 WeakPolarHBondContact O-CA 3.41Å; R197-H607 HydrophobicContact CG-CB 3.69Å; R197-H607 PolarHBondContact NH1-CE1 3.45Å; R197-H607 VanDerWaalsContact NH1-CE1 3.33Å; R197-H607 PolarHBondContact NH1-ND1 3.38Å; R197-H607 PolarHBondContact NH2-CE1 3.25Å; R197-H607 PolarHBondContact NH2-ND1 3.49Å; T604-H607 PolarHBondContact O-CE1 2.94Å; I605-H607 VanDerWaalsContact C-N 3.29Å; I605-H607 PolarHBondContact O-N 3.32Å; I605-H607 VanDerWaalsContact O-N 3.17Å; H607-G611 WeakPolarHBondContact O-CA 3.33Å; H607-G611 PolarHBondContact O-N 3.29Å; H607-P621 WeakPolarHBondContact O-CD 3.39Å; H607-E667 IonicContact CE1-OE1 3.49Å; H607-E667 PolarHBondContact CE1-OE1 2.64Å; H607-E667 IonicContact NE2-OE1 3.71Å |
| 608 | L | 96.8 | Very high | 94.8 | Very high | 14 Ų | 14 | 23.2 Ų | 23.2 | 7% | 0.073 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -79.4 | -31.1 | 177.4 | -61.4 | 173.3 | 0 | 0 | 0 | 111.9 | I605 A606 P621 L622 R663 L664 E667 | I605-L608 WeakPolarHBondContact O-CB 3.17Å; I605-L608 PolarHBondContact O-N 2.56Å; A606-L608 PolarHBondContact O-N 3.28Å; L608-P621 HydrophobicContact CD2-CG 4.41Å; L608-L622 HydrophobicContact CB-CD1 3.79Å; L608-L622 HydrophobicContact CB-CG 4.13Å; L608-L622 HydrophobicContact CD1-CD1 4.23Å; L608-L622 HydrophobicContact CD2-CD1 4.27Å; L608-L622 HydrophobicContact CD2-CG 4.32Å; L608-L622 HydrophobicContact CG-CD1 4.3Å; L608-R663 HydrophobicContact CD1-CG 4.28Å; L608-L664 HydrophobicContact CB-CD2 3.95Å; L608-L664 HydrophobicContact CD1-CD2 3.85Å; L608-E667 HydrophobicContact CD1-CB 4.24Å; L608-E667 HydrophobicContact CD1-CG 4.13Å |
| 609 | L | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -85.7 | -40 | -177.4 | -64.8 | -175.3 | 0 | 0 | 0 | 113.6 | Y207 Y602 I605 A606 P619 G620 I624 M629 W634 L664 | Y207-L609 HydrophobicContact CD1-CB 4.11Å; Y207-L609 HydrophobicContact CD1-CD1 4.21Å; Y207-L609 HydrophobicContact CE1-CB 4.16Å; Y207-L609 HydrophobicContact CG-CB 4.47Å; Y207-L609 PolarHBondContact OH-O 3.14Å; Y602-L609 HydrophobicContact CE2-CD1 4.07Å; I605-L609 HydrophobicContact CD1-CD1 4.06Å; I605-L609 HydrophobicContact CG1-CD1 4.5Å; I605-L609 PolarHBondContact O-N 3.03Å; A606-L609 PolarHBondContact O-N 2.63Å; A606-L609 VanDerWaalsContact O-N 3.11Å; L609-P619 CarbonylContact O-C 3.57Å; L609-G620 PolarHBondContact O-N 3.3Å; L609-I624 HydrophobicContact CD2-CB 4.13Å; L609-I624 HydrophobicContact CD2-CD1 3.92Å; L609-I624 HydrophobicContact CD2-CG2 4.18Å; L609-M629 HydrophobicContact CD1-CE 4.13Å; L609-M629 HydrophobicContact CD2-CE 4.4Å; L609-M629 HydrophobicContact CD2-SD 4.02Å; L609-W634 HydrophobicContact CD1-CH2 3.86Å; L609-W634 HydrophobicContact CD1-CZ3 4.39Å; L609-L664 HydrophobicContact CD2-CD2 4.2Å |
| 610 | Q | 94.2 | Very high | 94.4 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -131.4 | -3.7 | -173.7 | 75 | -158.2 | -24.1 | 0 | 0 | 115.4 | N205 Y207 Y602 A606 G612 S613 | N205-Q610 PolarHBondContact ND2-OE1 3Å; Y207-Q610 HydrophobicContact CD2-CB 4.11Å; Y207-Q610 HydrophobicContact CE2-CB 4.04Å; Y602-Q610 PolarHBondContact OH-NE2 2.95Å; Y602-Q610 VanDerWaalsContact OH-NE2 3.1Å; Y602-Q610 PolarHBondContact OH-OE1 3.02Å; A606-Q610 PolarHBondContact O-N 2.97Å; Q610-G612 VanDerWaalsContact C-N 3.25Å; Q610-G612 PolarHBondContact O-N 3.29Å; Q610-S613 WeakPolarHBondContact CG-O 3.42Å; Q610-S613 VanDerWaalsContact O-CB 3.3Å; Q610-S613 WeakPolarHBondContact O-CB 3.4Å; Q610-S613 PolarHBondContact O-N 3.49Å; Q610-S613 PolarHBondContact OE1-O 3.04Å |
| 611 | G | 86.6 | Confident | 94.2 | Very high | 42 Ų | 42 | 30 Ų | 30 | 43% | 0.433 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 31.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | H607 | H607-G611 WeakPolarHBondContact O-CA 3.33Å; H607-G611 PolarHBondContact O-N 3.29Å |
| 612 | G | 86.7 | Confident | 94 | Very high | 33 Ų | 33 | 31.9 Ų | 31.9 | 34% | 0.34 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | 0.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | R196 Q610 L614 | R196-G612 WeakPolarHBondContact O-CA 3.46Å; R196-G612 PolarHBondContact O-N 3.05Å; Q610-G612 VanDerWaalsContact C-N 3.25Å; Q610-G612 PolarHBondContact O-N 3.29Å; G612-L614 PolarHBondContact O-N 3.41Å |
| 613 | S | 92.9 | Very high | 93.7 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | trans | -68.1 | 108.4 | 168.5 | -156.6 | 0 | 0 | 0 | 0 | 109.4 | Q610 D615 G616 | Q610-S613 WeakPolarHBondContact CG-O 3.42Å; Q610-S613 VanDerWaalsContact O-CB 3.3Å; Q610-S613 WeakPolarHBondContact O-CB 3.4Å; Q610-S613 PolarHBondContact O-N 3.49Å; Q610-S613 PolarHBondContact OE1-O 3.04Å; S613-D615 VanDerWaalsContact C-N 3.27Å; S613-D615 PolarHBondContact O-N 3.33Å; S613-D615 PolarHBondContact OG-OD1 3.11Å; S613-G616 PolarHBondContact O-N 2.82Å; S613-G616 VanDerWaalsContact O-N 3.14Å | ||
| 614 | L | 94.2 | Very high | 93.4 | Very high | 46 Ų | 46 | 39.1 Ų | 39.1 | 24% | 0.241 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -41.3 | -177.3 | -70.2 | 179.9 | 0 | 0 | 0 | 112.3 | L88 P179 V183 S198 F199 I200 N205 G612 G616 | L88-L614 HydrophobicContact CD1-CD1 4.04Å; L88-L614 HydrophobicContact CD1-CD2 4.06Å; P179-L614 HydrophobicContact CB-CD1 4.26Å; V183-L614 HydrophobicContact CG2-CD1 4.38Å; S198-L614 VanDerWaalsContact CB-CD2 3.49Å; F199-L614 CarbonylContact C-O 3.57Å; F199-L614 VanDerWaalsContact CA-O 3.28Å; F199-L614 WeakPolarHBondContact CA-O 3.44Å; I200-L614 WeakPolarHBondContact CG1-O 3.39Å; I200-L614 HydrophobicContact CG2-CB 4.4Å; I200-L614 PolarHBondContact N-O 3.32Å; N205-L614 PolarHBondContact ND2-O 2.86Å; G612-L614 PolarHBondContact O-N 3.41Å; L614-G616 VanDerWaalsContact C-N 3.33Å |
| 615 | D | 95 | Very high | 93.2 | Very high | 44 Ų | 44 | 44.5 Ų | 44.5 | 24% | 0.235 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 4.4 | -178.6 | 67.2 | -3 | 0 | 0 | 0 | 113.8 | I200 N205 S613 R617 | I200-D615 HydrophobicContact CD1-CB 4.23Å; N205-D615 VanDerWaalsContact CA-O 3.3Å; N205-D615 WeakPolarHBondContact CA-O 3.17Å; S613-D615 VanDerWaalsContact C-N 3.27Å; S613-D615 PolarHBondContact O-N 3.33Å; S613-D615 PolarHBondContact OG-OD1 3.11Å; D615-R617 HydrophobicContact CB-CG 4.29Å; D615-R617 PolarHBondContact O-N 2.97Å; D615-R617 PolarHBondContact OD1-N 2.85Å; D615-R617 VanDerWaalsContact OD1-N 3.11Å; D615-R617 VanDerWaalsContact OD2-CD 3.3Å; D615-R617 WeakPolarHBondContact OD2-CD 3.29Å; D615-R617 IonicContact OD2-NE 3.37Å |
| 616 | G | 92.9 | Very high | 93 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 59.6 | 13.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | N205 Y207 S613 L614 K618 | N205-G616 PolarHBondContact ND2-N 3.05Å; Y207-G616 WeakPolarHBondContact CD2-O 3.03Å; Y207-G616 WeakPolarHBondContact CE2-O 3.09Å; S613-G616 PolarHBondContact O-N 2.82Å; S613-G616 VanDerWaalsContact O-N 3.14Å; L614-G616 VanDerWaalsContact C-N 3.33Å; G616-K618 VanDerWaalsContact C-N 3.35Å |
| 617 | R | 88.3 | Confident | 92.7 | Very high | 128 Ų | 128 | 51.8 Ų | 51.8 | 48% | 0.483 | 27% | 0.269 | S | S | . | . | trans | -81.2 | -16.1 | -178.3 | -66 | -176.6 | -173 | 179.3 | 2.3 | 113.5 | E172 D615 | E172-R617 IonicContact OE2-NH2 2.77Å; D615-R617 HydrophobicContact CB-CG 4.29Å; D615-R617 PolarHBondContact O-N 2.97Å; D615-R617 PolarHBondContact OD1-N 2.85Å; D615-R617 VanDerWaalsContact OD1-N 3.11Å; D615-R617 VanDerWaalsContact OD2-CD 3.3Å; D615-R617 WeakPolarHBondContact OD2-CD 3.29Å; D615-R617 IonicContact OD2-NE 3.37Å | ||
| 618 | K | 90 | Very high | 92.5 | Very high | 149 Ų | 149 | 52.5 Ų | 52.5 | 65% | 0.648 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -108.3 | 127.8 | 175.3 | -63.9 | 179.6 | -178 | 175.9 | 0 | 109.5 | G616 | G616-K618 VanDerWaalsContact C-N 3.35Š|
| 619 | P | 91.5 | Very high | 92.5 | Very high | 41 Ų | 41 | 52.2 Ų | 52.2 | 27% | 0.266 | 27% | 0.271 | S | S | . | . | trans | -69.5 | 146.7 | 176 | 31.5 | -36.5 | 0 | 0 | 0 | 110.5 | Y207 L609 W625 | Y207-P619 WeakPolarHBondContact OH-CA 3.44Å; L609-P619 CarbonylContact O-C 3.57Å; P619-W625 HydrophobicContact CB-CD2 4.38Å; P619-W625 HydrophobicContact CG-CD2 4.24Å; P619-W625 HydrophobicContact CG-CE3 4.39Å; P619-W625 HydrophobicContact CG-CH2 3.92Å; P619-W625 HydrophobicContact CG-CZ2 3.74Å; P619-W625 HydrophobicContact CG-CZ3 4.24Å | ||
| 620 | G | 93.6 | Very high | 92.4 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 9% | 0.093 | 28% | 0.28 | C | S | . | . | trans | -76.4 | -168.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L609 L622 K623 | L609-G620 PolarHBondContact O-N 3.3Å; G620-L622 PolarHBondContact O-N 3.17Å; G620-L622 VanDerWaalsContact O-N 3.11Å; G620-K623 PolarHBondContact O-N 3.14Å | ||
| 621 | P | 93.8 | Very high | 92.5 | Very high | 92 Ų | 92 | 56 Ų | 56 | 60% | 0.597 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.4 | -174 | 24.4 | -34.5 | 0 | 0 | 0 | 113.9 | H607 L608 K623 | H607-P621 WeakPolarHBondContact O-CD 3.39Å; L608-P621 HydrophobicContact CD2-CG 4.41Å; P621-K623 VanDerWaalsContact C-N 3.29Å; P621-K623 PolarHBondContact O-N 3.39Å |
| 622 | L | 94.1 | Very high | 93 | Very high | 40 Ų | 40 | 58.7 Ų | 58.7 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -2.4 | 177.1 | -58.4 | -171.9 | 0 | 0 | 0 | 113.7 | L608 G620 I624 I660 L664 | L608-L622 HydrophobicContact CB-CD1 3.79Å; L608-L622 HydrophobicContact CB-CG 4.13Å; L608-L622 HydrophobicContact CD1-CD1 4.23Å; L608-L622 HydrophobicContact CD2-CD1 4.27Å; L608-L622 HydrophobicContact CD2-CG 4.32Å; L608-L622 HydrophobicContact CG-CD1 4.3Å; G620-L622 PolarHBondContact O-N 3.17Å; G620-L622 VanDerWaalsContact O-N 3.11Å; L622-I624 HydrophobicContact CB-CD1 3.95Å; L622-I624 HydrophobicContact CB-CG1 3.99Å; L622-I624 HydrophobicContact CD1-CD1 4.3Å; L622-I624 PolarHBondContact O-N 3.36Å; L622-I624 VanDerWaalsContact O-N 3.17Å; L622-I660 HydrophobicContact CD1-CG2 4.07Å; L622-I660 HydrophobicContact CD2-CG1 4.48Å; L622-L664 HydrophobicContact CD1-CD2 4.23Å; L622-L664 HydrophobicContact CD1-CG 4.39Å |
| 623 | K | 91.9 | Very high | 93.5 | Very high | 152 Ų | 152 | 57.1 Ų | 57.1 | 66% | 0.661 | 28% | 0.28 | S | S | * | . | trans | 54.9 | 30.2 | 179.3 | -58.1 | -177.5 | 178.2 | 179.3 | 0 | 114 | G620 P621 S655 | G620-K623 PolarHBondContact O-N 3.14Å; P621-K623 VanDerWaalsContact C-N 3.29Å; P621-K623 PolarHBondContact O-N 3.39Å; K623-S655 VanDerWaalsContact C-OG 3.31Å; K623-S655 VanDerWaalsContact O-CB 3.28Å; K623-S655 WeakPolarHBondContact O-CB 3.27Å; K623-S655 PolarHBondContact O-OG 3.32Å | ||
| 624 | I | 93.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -85.2 | 125.4 | 176.4 | -58.2 | 171.4 | 0 | 0 | 0 | 108 | Y207 L609 L622 H628 M629 S655 L656 I660 L664 | Y207-I624 WeakPolarHBondContact CE1-O 3.33Å; Y207-I624 PolarHBondContact OH-O 3.23Å; L609-I624 HydrophobicContact CD2-CB 4.13Å; L609-I624 HydrophobicContact CD2-CD1 3.92Å; L609-I624 HydrophobicContact CD2-CG2 4.18Å; L622-I624 HydrophobicContact CB-CD1 3.95Å; L622-I624 HydrophobicContact CB-CG1 3.99Å; L622-I624 HydrophobicContact CD1-CD1 4.3Å; L622-I624 PolarHBondContact O-N 3.36Å; L622-I624 VanDerWaalsContact O-N 3.17Å; I624-H628 HydrophobicContact CG2-CB 3.97Å; I624-M629 HydrophobicContact CG2-CG 4.34Å; I624-M629 HydrophobicContact CG2-SD 3.65Å; I624-S655 WeakPolarHBondContact CA-OG 3.42Å; I624-L656 HydrophobicContact CD1-CD2 3.9Å; I624-L656 HydrophobicContact CG1-CD2 4.13Å; I624-L656 HydrophobicContact CG2-CD2 4.07Å; I624-I660 HydrophobicContact CD1-CG2 3.4Å; I624-I660 HydrophobicContact CG1-CG2 4.2Å; I624-L664 HydrophobicContact CD1-CD1 3.79Å | ||
| 625 | W | 92.7 | Very high | 94 | Very high | 113 Ų | 113 | 55.5 Ų | 55.5 | 43% | 0.428 | 27% | 0.27 | S | S | . | . | trans | -90.4 | 155.7 | 176.5 | -68.9 | 95.1 | 0 | 0 | 0 | 111.5 | P619 E627 H628 | P619-W625 HydrophobicContact CB-CD2 4.38Å; P619-W625 HydrophobicContact CG-CD2 4.24Å; P619-W625 HydrophobicContact CG-CE3 4.39Å; P619-W625 HydrophobicContact CG-CH2 3.92Å; P619-W625 HydrophobicContact CG-CZ2 3.74Å; P619-W625 HydrophobicContact CG-CZ3 4.24Å; W625-E627 VanDerWaalsContact C-N 3.26Å; W625-E627 VanDerWaalsContact CB-CD 3.44Å; W625-E627 HydrophobicContact CB-CG 4.22Å; W625-E627 WeakPolarHBondContact CB-OE1 3.42Å; W625-E627 WeakPolarHBondContact CB-OE2 3.34Å; W625-E627 PolarHBondContact O-N 3.49Å; W625-H628 AromaticContact CD1-CE1 3.77Å; W625-H628 PolarHBondContact N-ND1 3.32Å; W625-H628 VanDerWaalsContact O-CB 3.31Å; W625-H628 WeakPolarHBondContact O-CB 3.41Å; W625-H628 PolarHBondContact O-N 3.27Å | ||
| 626 | P | 92.8 | Very high | 94.2 | Very high | 20 Ų | 20 | 54.5 Ų | 54.5 | 13% | 0.13 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -55.8 | -37.6 | -176.8 | -24.9 | 33.9 | 0 | 0 | 0 | 114 | P206 Y207 H628 M629 | P206-P626 HydrophobicContact CB-CB 3.54Å; P206-P626 HydrophobicContact CB-CG 3.71Å; P206-P626 HydrophobicContact CG-CG 4.39Å; Y207-P626 HydrophobicContact CD1-CB 4.14Å; Y207-P626 HydrophobicContact CD1-CG 4.04Å; Y207-P626 HydrophobicContact CD2-CG 4.01Å; Y207-P626 HydrophobicContact CE1-CB 4.19Å; Y207-P626 HydrophobicContact CE1-CG 3.78Å; Y207-P626 HydrophobicContact CE2-CG 3.74Å; Y207-P626 HydrophobicContact CG-CB 4.42Å; Y207-P626 HydrophobicContact CG-CG 4.14Å; Y207-P626 WeakPolarHBondContact OH-CD 3.5Å; P626-H628 PolarHBondContact O-N 3.08Å; P626-H628 VanDerWaalsContact O-N 3.15Å; P626-M629 WeakPolarHBondContact O-CB 3.36Å; P626-M629 PolarHBondContact O-N 2.96Å |
| 627 | E | 91.6 | Very high | 94.4 | Very high | 134 Ų | 134 | 54.5 Ų | 54.5 | 63% | 0.626 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -62 | -19.5 | 177.5 | 58.9 | -93.5 | -147.5 | 0 | 0 | 113.9 | W625 M629 | W625-E627 VanDerWaalsContact C-N 3.26Å; W625-E627 VanDerWaalsContact CB-CD 3.44Å; W625-E627 HydrophobicContact CB-CG 4.22Å; W625-E627 WeakPolarHBondContact CB-OE1 3.42Å; W625-E627 WeakPolarHBondContact CB-OE2 3.34Å; W625-E627 PolarHBondContact O-N 3.49Å; E627-M629 VanDerWaalsContact C-N 3.31Å |
| 628 | H | 94 | Very high | 94.9 | Very high | 23 Ų | 23 | 48.4 Ų | 48.4 | 11% | 0.106 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -80.9 | -13.4 | 175.3 | -52.7 | 161.4 | 0 | 0 | 0 | 112.4 | I624 W625 P626 T630 S654 L656 | I624-H628 HydrophobicContact CG2-CB 3.97Å; W625-H628 AromaticContact CD1-CE1 3.77Å; W625-H628 PolarHBondContact N-ND1 3.32Å; W625-H628 VanDerWaalsContact O-CB 3.31Å; W625-H628 WeakPolarHBondContact O-CB 3.41Å; W625-H628 PolarHBondContact O-N 3.27Å; P626-H628 PolarHBondContact O-N 3.08Å; P626-H628 VanDerWaalsContact O-N 3.15Å; H628-T630 VanDerWaalsContact C-N 3.3Å; H628-T630 PolarHBondContact O-N 2.99Å; H628-T630 VanDerWaalsContact O-N 3.1Å; H628-S654 WeakPolarHBondContact CD2-CB 3.28Å; H628-S654 VanDerWaalsContact CG-CB 3.44Å; H628-S654 WeakPolarHBondContact NE2-CA 3.4Å; H628-S654 WeakPolarHBondContact NE2-CB 3.22Å; H628-L656 HydrophobicContact CB-CD1 4.13Å; H628-L656 HydrophobicContact CB-CG 4.25Å |
| 629 | M | 95.5 | Very high | 95.3 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 3% | 0.034 | 22% | 0.218 | C | C | . | . | trans | -88.3 | 67.7 | -177.4 | -59.4 | -54.6 | -62.3 | 0 | 0 | 110.9 | Y207 L609 I624 P626 E627 V633 W634 I637 | Y207-M629 HydrophobicContact CD1-CG 4.11Å; Y207-M629 HydrophobicContact CE1-CG 4.45Å; L609-M629 HydrophobicContact CD1-CE 4.13Å; L609-M629 HydrophobicContact CD2-CE 4.4Å; L609-M629 HydrophobicContact CD2-SD 4.02Å; I624-M629 HydrophobicContact CG2-CG 4.34Å; I624-M629 HydrophobicContact CG2-SD 3.65Å; P626-M629 WeakPolarHBondContact O-CB 3.36Å; P626-M629 PolarHBondContact O-N 2.96Å; E627-M629 VanDerWaalsContact C-N 3.31Å; M629-V633 HydrophobicContact CE-CG1 3.8Å; M629-V633 HydrophobicContact SD-CG1 4.08Å; M629-W634 HydrophobicContact CB-CZ2 3.66Å; M629-W634 HydrophobicContact CE-CD2 3.92Å; M629-W634 HydrophobicContact CE-CE3 3.74Å; M629-W634 HydrophobicContact CE-CH2 3.47Å; M629-W634 VanDerWaalsContact CE-CH2 3.47Å; M629-W634 HydrophobicContact CE-CZ2 3.62Å; M629-W634 HydrophobicContact CE-CZ3 3.52Å; M629-W634 HydrophobicContact CG-CZ2 4.03Å; M629-W634 PolarHBondContact O-NE1 2.71Å; M629-W634 VanDerWaalsContact O-NE1 3.08Å; M629-I637 HydrophobicContact CE-CD1 3.71Å | ||
| 630 | T | 95.1 | Very high | 95.6 | Very high | 31 Ų | 31 | 42.5 Ų | 42.5 | 19% | 0.19 | 22% | 0.221 | C | C | . | . | trans | -71.4 | 161.7 | 177.4 | 80 | 0 | 0 | 0 | 0 | 111.4 | H628 E632 V633 W634 | H628-T630 VanDerWaalsContact C-N 3.3Å; H628-T630 PolarHBondContact O-N 2.99Å; H628-T630 VanDerWaalsContact O-N 3.1Å; T630-E632 VanDerWaalsContact CB-OE2 3.26Å; T630-E632 WeakPolarHBondContact CB-OE2 3.38Å; T630-E632 PolarHBondContact O-N 3.33Å; T630-E632 PolarHBondContact OG1-N 3.1Å; T630-E632 PolarHBondContact OG1-OE2 2.93Å; T630-V633 WeakPolarHBondContact O-CB 3.48Å; T630-V633 PolarHBondContact O-N 3.26Å; T630-V633 PolarHBondContact OG1-N 3.21Å; T630-W634 PolarHBondContact O-N 3.29Å; T630-W634 VanDerWaalsContact O-N 3.08Å | ||
| 631 | P | 96.4 | Very high | 95.7 | Very high | 51 Ų | 51 | 46.8 Ų | 46.8 | 33% | 0.331 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -51.6 | -37.4 | 175 | -28.7 | 37.3 | 0 | 0 | 0 | 113.7 | L217 W634 D635 | L217-P631 HydrophobicContact CD1-CG 4.17Å; P631-W634 PolarHBondContact O-N 3.11Å; P631-D635 WeakPolarHBondContact O-CB 3.2Å; P631-D635 PolarHBondContact O-N 3.1Å |
| 632 | E | 96.6 | Very high | 95.8 | Very high | 99 Ų | 99 | 44.8 Ų | 44.8 | 46% | 0.463 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -70.7 | -31.7 | 179.4 | -55.2 | 72.5 | -159 | 0 | 0 | 112.1 | T630 Y636 L647 | T630-E632 VanDerWaalsContact CB-OE2 3.26Å; T630-E632 WeakPolarHBondContact CB-OE2 3.38Å; T630-E632 PolarHBondContact O-N 3.33Å; T630-E632 PolarHBondContact OG1-N 3.1Å; T630-E632 PolarHBondContact OG1-OE2 2.93Å; E632-Y636 PolarHBondContact O-N 2.73Å; E632-L647 HydrophobicContact CB-CD2 3.54Å |
| 633 | V | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.4 | -42 | 172.7 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | M629 T630 Y636 I637 L656 L661 | M629-V633 HydrophobicContact CE-CG1 3.8Å; M629-V633 HydrophobicContact SD-CG1 4.08Å; T630-V633 WeakPolarHBondContact O-CB 3.48Å; T630-V633 PolarHBondContact O-N 3.26Å; T630-V633 PolarHBondContact OG1-N 3.21Å; V633-Y636 PolarHBondContact O-N 3.23Å; V633-I637 HydrophobicContact CG1-CD1 3.88Å; V633-I637 VanDerWaalsContact O-CG1 3.28Å; V633-I637 WeakPolarHBondContact O-CG1 3.32Å; V633-I637 PolarHBondContact O-N 3.35Å; V633-I637 VanDerWaalsContact O-N 3.07Å; V633-L656 HydrophobicContact CG2-CD1 3.87Å; V633-L661 HydrophobicContact CG1-CD2 3.99Å |
| 634 | W | 98.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.7 | -42.7 | 174.4 | -67.2 | 120.6 | 0 | 0 | 0 | 112.6 | F211 W214 Y602 I605 L609 M629 T630 P631 Y636 I637 F638 | F211-W634 HydrophobicContact CB-CH2 4.09Å; F211-W634 HydrophobicContact CB-CZ2 3.92Å; F211-W634 HydrophobicContact CD2-CE3 4.3Å; F211-W634 HydrophobicContact CD2-CZ3 4.26Å; W214-W634 HydrophobicContact CB-CB 4.13Å; W214-W634 HydrophobicContact CB-CG 4.03Å; W214-W634 VanDerWaalsContact CD1-CB 3.45Å; W214-W634 HydrophobicContact CD2-CB 3.58Å; W214-W634 HydrophobicContact CD2-CG 4.21Å; W214-W634 HydrophobicContact CE3-CB 4.33Å; W214-W634 HydrophobicContact CG-CB 3.44Å; W214-W634 VanDerWaalsContact CG-CB 3.44Å; W214-W634 AromaticContact CG-CD1 3.98Å; W214-W634 AromaticContact CG-CG 3.87Å; W214-W634 HydrophobicContact CG-CG 3.87Å; W214-W634 HydrophobicContact CZ2-CB 4.49Å; Y602-W634 AromaticContact CD2-CH2 4Å; Y602-W634 HydrophobicContact CD2-CH2 4Å; Y602-W634 HydrophobicContact CD2-CZ3 4.38Å; Y602-W634 HydrophobicContact CE2-CH2 4.01Å; I605-W634 HydrophobicContact CD1-CZ3 3.79Å; L609-W634 HydrophobicContact CD1-CH2 3.86Å; L609-W634 HydrophobicContact CD1-CZ3 4.39Å; M629-W634 HydrophobicContact CB-CZ2 3.66Å; M629-W634 HydrophobicContact CE-CD2 3.92Å; M629-W634 HydrophobicContact CE-CE3 3.74Å; M629-W634 HydrophobicContact CE-CH2 3.47Å; M629-W634 VanDerWaalsContact CE-CH2 3.47Å; M629-W634 HydrophobicContact CE-CZ2 3.62Å; M629-W634 HydrophobicContact CE-CZ3 3.52Å; M629-W634 HydrophobicContact CG-CZ2 4.03Å; M629-W634 PolarHBondContact O-NE1 2.71Å; M629-W634 VanDerWaalsContact O-NE1 3.08Å; T630-W634 PolarHBondContact O-N 3.29Å; T630-W634 VanDerWaalsContact O-N 3.08Å; P631-W634 PolarHBondContact O-N 3.11Å; W634-Y636 VanDerWaalsContact C-N 3.3Å; W634-Y636 PolarHBondContact O-N 3.22Å; W634-I637 HydrophobicContact CE3-CD1 4.39Å; W634-I637 PolarHBondContact O-N 2.86Å; W634-F638 HydrophobicContact CD2-CE2 4.48Å; W634-F638 AromaticContact CE3-CD2 3.9Å; W634-F638 HydrophobicContact CE3-CD2 3.9Å; W634-F638 AromaticContact CE3-CE2 3.37Å; W634-F638 HydrophobicContact CE3-CE2 3.37Å; W634-F638 HydrophobicContact CE3-CZ 4.3Å; W634-F638 AromaticContact CZ3-CE2 3.56Å; W634-F638 HydrophobicContact CZ3-CE2 3.56Å; W634-F638 HydrophobicContact CZ3-CZ 4.12Å; W634-F638 PolarHBondContact O-N 2.84Å |
| 635 | D | 98.5 | Very high | 96.3 | Very high | 32 Ų | 32 | 43.9 Ų | 43.9 | 17% | 0.171 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -55.9 | -44.3 | 173.8 | -81.6 | -8.9 | 0 | 0 | 0 | 111.3 | W214 P631 L639 G640 I641 | W214-D635 PolarHBondContact NE1-OD1 2.71Å; P631-D635 WeakPolarHBondContact O-CB 3.2Å; P631-D635 PolarHBondContact O-N 3.1Å; D635-L639 CarbonylContact O-C 3.54Å; D635-L639 VanDerWaalsContact O-CA 3.24Å; D635-L639 WeakPolarHBondContact O-CA 3.3Å; D635-L639 VanDerWaalsContact O-CB 3.23Å; D635-L639 WeakPolarHBondContact O-CB 3.14Å; D635-L639 PolarHBondContact O-N 3.23Å; D635-L639 WeakPolarHBondContact OD1-CD1 3.26Å; D635-G640 PolarHBondContact O-N 2.53Å; D635-I641 CarbonylContact C-O 3.57Å; D635-I641 HydrophobicContact CB-CB 4.3Å; D635-I641 PolarHBondContact O-N 3.24Å |
| 636 | Y | 98.6 | Very high | 96.4 | Very high | 22 Ų | 22 | 42.3 Ų | 42.3 | 9% | 0.086 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -64.5 | -48.2 | 176.5 | 175.1 | -95.4 | 0 | 0 | 0 | 112.2 | E632 V633 W634 G640 I641 G642 P644 L647 L661 R665 | E632-Y636 PolarHBondContact O-N 2.73Å; V633-Y636 PolarHBondContact O-N 3.23Å; W634-Y636 VanDerWaalsContact C-N 3.3Å; W634-Y636 PolarHBondContact O-N 3.22Å; Y636-G640 VanDerWaalsContact O-CA 3.29Å; Y636-G640 WeakPolarHBondContact O-CA 3.3Å; Y636-G640 PolarHBondContact O-N 2.89Å; Y636-G640 VanDerWaalsContact O-N 3.13Å; Y636-I641 WeakPolarHBondContact CA-O 3.43Å; Y636-I641 PolarHBondContact N-O 2.85Å; Y636-I641 VanDerWaalsContact N-O 3.16Å; Y636-G642 WeakPolarHBondContact CD2-O 3.35Å; Y636-P644 HydrophobicContact CE2-CB 4.08Å; Y636-P644 HydrophobicContact CE2-CG 4.11Å; Y636-L647 HydrophobicContact CD2-CD1 4.4Å; Y636-L647 HydrophobicContact CG-CD1 3.92Å; Y636-L661 HydrophobicContact CD1-CB 4.08Å; Y636-L661 HydrophobicContact CD1-CD2 4.37Å; Y636-L661 HydrophobicContact CE1-CB 3.68Å; Y636-L661 WeakPolarHBondContact CE1-O 3.38Å; Y636-R665 HydrophobicContact CE1-CB 4.04Å; Y636-R665 WeakPolarHBondContact O-CD 3.05Å; Y636-R665 PolarHBondContact O-NH1 3.1Å; Y636-R665 VanDerWaalsContact O-NH1 3.08Å |
| 637 | I | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -62.5 | -51.7 | -176.1 | -66.8 | 165.5 | 0 | 0 | 0 | 110.3 | I605 M629 V633 W634 L664 R665 | I605-I637 HydrophobicContact CD1-CD1 4.24Å; I605-I637 HydrophobicContact CD1-CG2 3.92Å; M629-I637 HydrophobicContact CE-CD1 3.71Å; V633-I637 HydrophobicContact CG1-CD1 3.88Å; V633-I637 VanDerWaalsContact O-CG1 3.28Å; V633-I637 WeakPolarHBondContact O-CG1 3.32Å; V633-I637 PolarHBondContact O-N 3.35Å; V633-I637 VanDerWaalsContact O-N 3.07Å; W634-I637 HydrophobicContact CE3-CD1 4.39Å; W634-I637 PolarHBondContact O-N 2.86Å; I637-L664 HydrophobicContact CD1-CB 4.04Å; I637-L664 HydrophobicContact CD1-CD1 3.8Å; I637-L664 HydrophobicContact CD1-CG 4.49Å; I637-L664 HydrophobicContact CG1-CB 3.99Å; I637-L664 HydrophobicContact CG1-CD1 4.47Å; I637-L664 HydrophobicContact CG2-CB 4.39Å; I637-R665 PolarHBondContact O-NH1 2.92Å |
| 638 | F | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -98.4 | -26 | -168.9 | -65.2 | -50.3 | 0 | 0 | 0 | 114.9 | F211 W214 A601 I605 W634 F668 W699 | F211-F638 HydrophobicContact CD2-CD2 4.33Å; F211-F638 AromaticContact CD2-CE2 3.65Å; F211-F638 HydrophobicContact CD2-CE2 3.65Å; F211-F638 HydrophobicContact CD2-CZ 4.45Å; F211-F638 AromaticContact CE2-CD2 3.99Å; F211-F638 HydrophobicContact CE2-CD2 3.99Å; F211-F638 AromaticContact CE2-CE2 3.46Å; F211-F638 HydrophobicContact CE2-CE2 3.46Å; F211-F638 VanDerWaalsContact CE2-CE2 3.46Å; F211-F638 HydrophobicContact CE2-CZ 4.11Å; W214-F638 HydrophobicContact CE3-CD2 4.45Å; W214-F638 HydrophobicContact CH2-CB 3.71Å; W214-F638 AromaticContact CH2-CD2 3.86Å; W214-F638 HydrophobicContact CH2-CD2 3.86Å; W214-F638 HydrophobicContact CH2-CG 4.19Å; W214-F638 HydrophobicContact CZ2-CB 4.17Å; W214-F638 HydrophobicContact CZ3-CB 4.49Å; W214-F638 AromaticContact CZ3-CD2 3.83Å; W214-F638 HydrophobicContact CZ3-CD2 3.83Å; A601-F638 HydrophobicContact CB-CD1 4.06Å; A601-F638 HydrophobicContact CB-CE1 3.8Å; A601-F638 HydrophobicContact CB-CZ 4.2Å; A601-F638 WeakPolarHBondContact O-CE1 3.35Å; I605-F638 HydrophobicContact CD1-CE1 4.38Å; I605-F638 HydrophobicContact CD1-CE2 4.46Å; I605-F638 HydrophobicContact CD1-CZ 3.77Å; I605-F638 HydrophobicContact CG1-CZ 4.07Å; W634-F638 HydrophobicContact CD2-CE2 4.48Å; W634-F638 AromaticContact CE3-CD2 3.9Å; W634-F638 HydrophobicContact CE3-CD2 3.9Å; W634-F638 AromaticContact CE3-CE2 3.37Å; W634-F638 HydrophobicContact CE3-CE2 3.37Å; W634-F638 HydrophobicContact CE3-CZ 4.3Å; W634-F638 AromaticContact CZ3-CE2 3.56Å; W634-F638 HydrophobicContact CZ3-CE2 3.56Å; W634-F638 HydrophobicContact CZ3-CZ 4.12Å; W634-F638 PolarHBondContact O-N 2.84Å; F638-F668 HydrophobicContact CD1-CB 4.24Å; F638-F668 AromaticContact CD1-CD1 3.86Å; F638-F668 HydrophobicContact CD1-CD1 3.86Å; F638-F668 AromaticContact CD1-CD2 3.51Å; F638-F668 HydrophobicContact CD1-CD2 3.51Å; F638-F668 HydrophobicContact CD1-CE1 4.05Å; F638-F668 AromaticContact CD1-CE2 3.71Å; F638-F668 HydrophobicContact CD1-CE2 3.71Å; F638-F668 AromaticContact CD1-CG 3.58Å; F638-F668 HydrophobicContact CD1-CG 3.58Å; F638-F668 AromaticContact CD1-CZ 3.98Å; F638-F668 HydrophobicContact CD1-CZ 3.98Å; F638-F668 HydrophobicContact CE1-CB 4.15Å; F638-F668 AromaticContact CE1-CD2 3.6Å; F638-F668 HydrophobicContact CE1-CD2 3.6Å; F638-F668 HydrophobicContact CE1-CE2 4.11Å; F638-F668 AromaticContact CE1-CG 3.85Å; F638-F668 HydrophobicContact CE1-CG 3.85Å; F638-F668 WeakPolarHBondContact O-CE1 3.23Å; F638-W699 HydrophobicContact CB-CZ2 4.44Å; F638-W699 PolarHBondContact O-NE1 3.21Å |
| 639 | L | 98 | Very high | 96.6 | Very high | 32 Ų | 32 | 40.9 Ų | 40.9 | 17% | 0.168 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -111.5 | -15.3 | -179.7 | -49.4 | 179.8 | 0 | 0 | 0 | 112.9 | W214 D635 I641 I698 | W214-L639 HydrophobicContact CZ2-CD1 3.97Å; W214-L639 HydrophobicContact CZ2-CD2 4.31Å; W214-L639 HydrophobicContact CZ2-CG 3.92Å; D635-L639 CarbonylContact O-C 3.54Å; D635-L639 VanDerWaalsContact O-CA 3.24Å; D635-L639 WeakPolarHBondContact O-CA 3.3Å; D635-L639 VanDerWaalsContact O-CB 3.23Å; D635-L639 WeakPolarHBondContact O-CB 3.14Å; D635-L639 PolarHBondContact O-N 3.23Å; D635-L639 WeakPolarHBondContact OD1-CD1 3.26Å; L639-I641 VanDerWaalsContact C-N 3.25Å; L639-I641 HydrophobicContact CB-CB 4.49Å; L639-I641 HydrophobicContact CB-CD1 3.83Å; L639-I641 HydrophobicContact CB-CG1 3.95Å; L639-I641 HydrophobicContact CD1-CD1 4.13Å; L639-I641 PolarHBondContact O-N 3.4Å; L639-I698 HydrophobicContact CD2-CG2 3.95Å; L639-I698 WeakPolarHBondContact CD2-O 3.33Å |
| 640 | G | 97 | Very high | 96.3 | Very high | 33 Ų | 33 | 46.7 Ų | 46.7 | 34% | 0.34 | 26% | 0.263 | S | S | . | . | trans | 73 | 20.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D635 Y636 R665 | D635-G640 PolarHBondContact O-N 2.53Å; Y636-G640 VanDerWaalsContact O-CA 3.29Å; Y636-G640 WeakPolarHBondContact O-CA 3.3Å; Y636-G640 PolarHBondContact O-N 2.89Å; Y636-G640 VanDerWaalsContact O-N 3.13Å; G640-R665 VanDerWaalsContact CA-NH2 3.34Å | ||
| 641 | I | 97.1 | Very high | 95.9 | Very high | 100 Ų | 100 | 46.4 Ų | 46.4 | 51% | 0.513 | 26% | 0.26 | S | S | . | . | trans | -97.4 | 133.3 | -178.3 | -62.7 | 172.6 | 0 | 0 | 0 | 108.8 | D635 Y636 L639 | D635-I641 CarbonylContact C-O 3.57Å; D635-I641 HydrophobicContact CB-CB 4.3Å; D635-I641 PolarHBondContact O-N 3.24Å; Y636-I641 WeakPolarHBondContact CA-O 3.43Å; Y636-I641 PolarHBondContact N-O 2.85Å; Y636-I641 VanDerWaalsContact N-O 3.16Å; L639-I641 VanDerWaalsContact C-N 3.25Å; L639-I641 HydrophobicContact CB-CB 4.49Å; L639-I641 HydrophobicContact CB-CD1 3.83Å; L639-I641 HydrophobicContact CB-CG1 3.95Å; L639-I641 HydrophobicContact CD1-CD1 4.13Å; L639-I641 PolarHBondContact O-N 3.4Å | ||
| 642 | G | 95.4 | Very high | 95.2 | Very high | 50 Ų | 50 | 52.8 Ų | 52.8 | 52% | 0.515 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 103.4 | 155.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y636 | Y636-G642 WeakPolarHBondContact CD2-O 3.35Š|
| 643 | D | 96.7 | Very high | 94.5 | Very high | 75 Ų | 75 | 57.4 Ų | 57.4 | 40% | 0.401 | 30% | 0.299 | S | S | . | . | trans | -96 | 126.6 | 177.6 | -179.6 | -90.4 | 0 | 0 | 0 | 110.4 | D645 D646 L647 | D643-D645 VanDerWaalsContact C-N 3.3Å; D643-D645 PolarHBondContact O-N 3.41Å; D643-D645 WeakPolarHBondContact OD1-CA 3.18Å; D643-D645 VanDerWaalsContact OD1-CB 3.25Å; D643-D645 WeakPolarHBondContact OD1-CB 3.44Å; D643-D645 PolarHBondContact OD1-N 3.32Å; D643-D646 HydrophobicContact CB-CB 4.25Å; D643-D646 PolarHBondContact O-N 3.08Å; D643-D646 PolarHBondContact OD1-N 2.92Å; D643-D646 VanDerWaalsContact OD1-N 3.07Å; D643-L647 WeakPolarHBondContact O-CG 3.46Å; D643-L647 PolarHBondContact O-N 3.45Å | ||
| 644 | P | 96 | Very high | 94.1 | Very high | 13 Ų | 13 | 58.5 Ų | 58.5 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.8 | -28.8 | -174.9 | 27.3 | -34.9 | 0 | 0 | 0 | 113.1 | Y636 V648 V658 L661 | Y636-P644 HydrophobicContact CE2-CB 4.08Å; Y636-P644 HydrophobicContact CE2-CG 4.11Å; P644-V648 VanDerWaalsContact O-CG2 3.27Å; P644-V648 WeakPolarHBondContact O-CG2 3.5Å; P644-V648 PolarHBondContact O-N 3.1Å; P644-V648 VanDerWaalsContact O-N 3.15Å; P644-V658 HydrophobicContact CB-CG1 4.22Å; P644-V658 HydrophobicContact CB-CG2 4.33Å; P644-V658 HydrophobicContact CG-CG1 4.22Å; P644-L661 HydrophobicContact CB-CB 4.39Å; P644-L661 HydrophobicContact CB-CD1 3.9Å |
| 645 | D | 96.2 | Very high | 93.5 | Very high | 85 Ų | 85 | 60.5 Ų | 60.5 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.3 | -39.5 | 175.6 | -69.7 | -87.6 | 0 | 0 | 0 | 110.4 | D643 V648 K649 V658 | D643-D645 VanDerWaalsContact C-N 3.3Å; D643-D645 PolarHBondContact O-N 3.41Å; D643-D645 WeakPolarHBondContact OD1-CA 3.18Å; D643-D645 VanDerWaalsContact OD1-CB 3.25Å; D643-D645 WeakPolarHBondContact OD1-CB 3.44Å; D643-D645 PolarHBondContact OD1-N 3.32Å; D645-V648 PolarHBondContact O-N 3.41Å; D645-K649 VanDerWaalsContact O-CG 3.28Å; D645-K649 WeakPolarHBondContact O-CG 3.43Å; D645-K649 PolarHBondContact O-N 2.6Å; D645-V658 HydrophobicContact CB-CG2 4.5Å |
| 646 | D | 95.9 | Very high | 93.3 | Very high | 79 Ų | 79 | 59.4 Ų | 59.4 | 42% | 0.422 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.4 | -39.9 | 175.7 | -70.3 | -18.5 | 0 | 0 | 0 | 112.8 | D643 V648 K649 I650 | D643-D646 HydrophobicContact CB-CB 4.25Å; D643-D646 PolarHBondContact O-N 3.08Å; D643-D646 PolarHBondContact OD1-N 2.92Å; D643-D646 VanDerWaalsContact OD1-N 3.07Å; D646-V648 VanDerWaalsContact C-N 3.3Å; D646-V648 PolarHBondContact O-N 3.17Å; D646-K649 WeakPolarHBondContact O-CB 3.42Å; D646-K649 PolarHBondContact O-N 2.89Å; D646-K649 VanDerWaalsContact O-N 3.1Å; D646-K649 IonicContact OD1-NZ 3.23Å; D646-K649 PolarHBondContact OD1-NZ 3.04Å; D646-I650 WeakPolarHBondContact O-CG1 3.42Å; D646-I650 PolarHBondContact O-N 3.07Å |
| 647 | L | 94.8 | Very high | 93.2 | Very high | 9 Ų | 9 | 60.2 Ų | 60.2 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 174.7 | -69.8 | 176.4 | 0 | 0 | 0 | 112.3 | E632 Y636 D643 I650 N651 L661 | E632-L647 HydrophobicContact CB-CD2 3.54Å; Y636-L647 HydrophobicContact CD2-CD1 4.4Å; Y636-L647 HydrophobicContact CG-CD1 3.92Å; D643-L647 WeakPolarHBondContact O-CG 3.46Å; D643-L647 PolarHBondContact O-N 3.45Å; L647-I650 PolarHBondContact O-N 2.65Å; L647-N651 WeakPolarHBondContact O-CB 3.46Å; L647-N651 PolarHBondContact O-N 3.13Å; L647-N651 PolarHBondContact O-ND2 3.39Å; L647-L661 HydrophobicContact CB-CD1 3.98Å; L647-L661 HydrophobicContact CD1-CD1 4.27Å |
| 648 | V | 95 | Very high | 93.1 | Very high | 37 Ų | 37 | 61.5 Ų | 61.5 | 22% | 0.224 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.6 | -39 | 174.7 | 173 | 0 | 0 | 0 | 0 | 111 | P644 D645 D646 I650 N651 R652 V658 L661 | P644-V648 VanDerWaalsContact O-CG2 3.27Å; P644-V648 WeakPolarHBondContact O-CG2 3.5Å; P644-V648 PolarHBondContact O-N 3.1Å; P644-V648 VanDerWaalsContact O-N 3.15Å; D645-V648 PolarHBondContact O-N 3.41Å; D646-V648 VanDerWaalsContact C-N 3.3Å; D646-V648 PolarHBondContact O-N 3.17Å; V648-I650 VanDerWaalsContact C-N 3.33Å; V648-I650 PolarHBondContact O-N 3.2Å; V648-N651 CarbonylContact O-C 3.54Å; V648-N651 VanDerWaalsContact O-C 3.23Å; V648-N651 PolarHBondContact O-N 3.37Å; V648-R652 PolarHBondContact O-N 2.87Å; V648-R652 VanDerWaalsContact O-N 3.13Å; V648-V658 HydrophobicContact CG2-CG2 4.18Å; V648-L661 HydrophobicContact CG2-CD1 3.94Å |
| 649 | K | 92.4 | Very high | 93 | Very high | 102 Ų | 102 | 66 Ų | 66 | 44% | 0.443 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.8 | -32.9 | 175.7 | -73.1 | 171.3 | -150.7 | 153.7 | 0 | 113.1 | D645 D646 R652 | D645-K649 VanDerWaalsContact O-CG 3.28Å; D645-K649 WeakPolarHBondContact O-CG 3.43Å; D645-K649 PolarHBondContact O-N 2.6Å; D646-K649 WeakPolarHBondContact O-CB 3.42Å; D646-K649 PolarHBondContact O-N 2.89Å; D646-K649 VanDerWaalsContact O-N 3.1Å; D646-K649 IonicContact OD1-NZ 3.23Å; D646-K649 PolarHBondContact OD1-NZ 3.04Å; K649-R652 VanDerWaalsContact O-CD 3.29Å; K649-R652 WeakPolarHBondContact O-CD 3.35Å; K649-R652 WeakPolarHBondContact O-CG 3.41Å; K649-R652 PolarHBondContact O-NE 3.13Å |
| 650 | I | 88.8 | Confident | 92.9 | Very high | 129 Ų | 129 | 65.9 Ų | 65.9 | 66% | 0.662 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -73.2 | -40 | 175.2 | -67.4 | 163.8 | 0 | 0 | 0 | 109.4 | D646 L647 V648 R652 | D646-I650 WeakPolarHBondContact O-CG1 3.42Å; D646-I650 PolarHBondContact O-N 3.07Å; L647-I650 PolarHBondContact O-N 2.65Å; V648-I650 VanDerWaalsContact C-N 3.33Å; V648-I650 PolarHBondContact O-N 3.2Å; I650-R652 PolarHBondContact O-N 3.47Å |
| 651 | N | 87.2 | Confident | 92.9 | Very high | 25 Ų | 25 | 64.3 Ų | 64.3 | 13% | 0.134 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 40 | -179.4 | -65.3 | -78.2 | 0 | 0 | 0 | 113.2 | L647 V648 H653 S654 L656 | L647-N651 WeakPolarHBondContact O-CB 3.46Å; L647-N651 PolarHBondContact O-N 3.13Å; L647-N651 PolarHBondContact O-ND2 3.39Å; V648-N651 CarbonylContact O-C 3.54Å; V648-N651 VanDerWaalsContact O-C 3.23Å; V648-N651 PolarHBondContact O-N 3.37Å; N651-H653 PolarHBondContact O-N 3.33Å; N651-S654 WeakPolarHBondContact CB-OG 3.47Å; N651-S654 VanDerWaalsContact O-CB 3.22Å; N651-S654 WeakPolarHBondContact O-CB 3.5Å; N651-S654 PolarHBondContact O-N 2.63Å; N651-S654 PolarHBondContact O-OG 2.89Å; N651-L656 HydrophobicContact CB-CD1 3.98Å |
| 652 | R | 82.2 | Confident | 92.8 | Very high | 185 Ų | 185 | 65.1 Ų | 65.1 | 70% | 0.698 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -25.7 | -173.3 | -82.9 | 166.8 | -160.4 | -158.1 | 2.4 | 115.5 | V648 K649 I650 S654 | V648-R652 PolarHBondContact O-N 2.87Å; V648-R652 VanDerWaalsContact O-N 3.13Å; K649-R652 VanDerWaalsContact O-CD 3.29Å; K649-R652 WeakPolarHBondContact O-CD 3.35Å; K649-R652 WeakPolarHBondContact O-CG 3.41Å; K649-R652 PolarHBondContact O-NE 3.13Å; I650-R652 PolarHBondContact O-N 3.47Å; R652-S654 VanDerWaalsContact C-N 3.31Å |
| 653 | H | 82.2 | Confident | 92.8 | Very high | 196 Ų | 196 | 65.3 Ų | 65.3 | 91% | 0.907 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 4.2 | 179.2 | -60.3 | -64.4 | 0 | 0 | 0 | 113.3 | N651 | N651-H653 PolarHBondContact O-N 3.33Š|
| 654 | S | 88.2 | Confident | 92.9 | Very high | 23 Ų | 23 | 61.8 Ų | 61.8 | 16% | 0.161 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -96.1 | 173.6 | 178.9 | 78.2 | 0 | 0 | 0 | 0 | 112.5 | H628 N651 R652 L656 | H628-S654 WeakPolarHBondContact CD2-CB 3.28Å; H628-S654 VanDerWaalsContact CG-CB 3.44Å; H628-S654 WeakPolarHBondContact NE2-CA 3.4Å; H628-S654 WeakPolarHBondContact NE2-CB 3.22Å; N651-S654 WeakPolarHBondContact CB-OG 3.47Å; N651-S654 VanDerWaalsContact O-CB 3.22Å; N651-S654 WeakPolarHBondContact O-CB 3.5Å; N651-S654 PolarHBondContact O-N 2.63Å; N651-S654 PolarHBondContact O-OG 2.89Å; R652-S654 VanDerWaalsContact C-N 3.31Å; S654-L656 VanDerWaalsContact C-N 3.29Å; S654-L656 VanDerWaalsContact OG-CB 3.31Å; S654-L656 WeakPolarHBondContact OG-CB 3.46Å; S654-L656 PolarHBondContact OG-N 2.77Å |
| 655 | S | 87 | Confident | 92.9 | Very high | 42 Ų | 42 | 63.4 Ų | 63.4 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -82.8 | -0.6 | 168.6 | 49.2 | 0 | 0 | 0 | 0 | 113.8 | K623 I624 S657 I660 | K623-S655 VanDerWaalsContact C-OG 3.31Å; K623-S655 VanDerWaalsContact O-CB 3.28Å; K623-S655 WeakPolarHBondContact O-CB 3.27Å; K623-S655 PolarHBondContact O-OG 3.32Å; I624-S655 WeakPolarHBondContact CA-OG 3.42Å; S655-S657 PolarHBondContact O-N 2.94Å; S655-I660 WeakPolarHBondContact O-CD1 3.47Å |
| 656 | L | 93.7 | Very high | 92.9 | Very high | 9 Ų | 9 | 63 Ų | 63 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | trans | -64.2 | 137.4 | 179.2 | -65.9 | 173.9 | 0 | 0 | 0 | 110.6 | I624 H628 V633 N651 S654 I660 L661 | I624-L656 HydrophobicContact CD1-CD2 3.9Å; I624-L656 HydrophobicContact CG1-CD2 4.13Å; I624-L656 HydrophobicContact CG2-CD2 4.07Å; H628-L656 HydrophobicContact CB-CD1 4.13Å; H628-L656 HydrophobicContact CB-CG 4.25Å; V633-L656 HydrophobicContact CG2-CD1 3.87Å; N651-L656 HydrophobicContact CB-CD1 3.98Å; S654-L656 VanDerWaalsContact C-N 3.29Å; S654-L656 VanDerWaalsContact OG-CB 3.31Å; S654-L656 WeakPolarHBondContact OG-CB 3.46Å; S654-L656 PolarHBondContact OG-N 2.77Å; L656-I660 HydrophobicContact CD2-CG2 4.36Å; L656-L661 HydrophobicContact CD2-CD2 4.09Å | ||
| 657 | S | 95.6 | Very high | 92.9 | Very high | 40 Ų | 40 | 59.3 Ų | 59.3 | 28% | 0.28 | 29% | 0.289 | S | S | . | . | trans | -141.1 | 159 | 173.4 | 65.7 | 0 | 0 | 0 | 0 | 109.5 | S655 P659 I660 L661 | S655-S657 PolarHBondContact O-N 2.94Å; S657-P659 VanDerWaalsContact C-N 3.33Å; S657-I660 WeakPolarHBondContact O-CB 3.33Å; S657-I660 PolarHBondContact O-N 3.19Å; S657-I660 WeakPolarHBondContact OG-CB 3.49Å; S657-I660 WeakPolarHBondContact OG-CD1 3.41Å; S657-I660 VanDerWaalsContact OG-CG1 3.32Å; S657-I660 WeakPolarHBondContact OG-CG1 3.37Å; S657-I660 PolarHBondContact OG-N 3.24Å; S657-L661 PolarHBondContact O-N 3.07Å | ||
| 658 | V | 96.3 | Very high | 93.1 | Very high | 27 Ų | 27 | 58.9 Ų | 58.9 | 16% | 0.164 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.7 | -43.6 | 178.3 | 176.5 | 0 | 0 | 0 | 0 | 111.9 | P644 D645 V648 I660 L661 K662 | P644-V658 HydrophobicContact CB-CG1 4.22Å; P644-V658 HydrophobicContact CB-CG2 4.33Å; P644-V658 HydrophobicContact CG-CG1 4.22Å; D645-V658 HydrophobicContact CB-CG2 4.5Å; V648-V658 HydrophobicContact CG2-CG2 4.18Å; V658-I660 VanDerWaalsContact C-N 3.34Å; V658-I660 PolarHBondContact O-N 3.47Å; V658-L661 PolarHBondContact O-N 2.94Å; V658-K662 HydrophobicContact CG1-CD 3.96Å; V658-K662 HydrophobicContact CG1-CG 4.4Å; V658-K662 WeakPolarHBondContact O-CB 3.41Å; V658-K662 WeakPolarHBondContact O-CG 3.48Å; V658-K662 PolarHBondContact O-N 3.15Å |
| 659 | P | 96.2 | Very high | 93.2 | Very high | 96 Ų | 96 | 60.6 Ų | 60.6 | 62% | 0.623 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.8 | -38.9 | 173.9 | -25.2 | 36 | 0 | 0 | 0 | 113.8 | S657 R663 | S657-P659 VanDerWaalsContact C-N 3.33Å; P659-R663 WeakPolarHBondContact O-CB 3.27Å; P659-R663 PolarHBondContact O-N 3.04Å |
| 660 | I | 96.1 | Very high | 93.4 | Very high | 29 Ų | 29 | 57 Ų | 57 | 15% | 0.149 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.6 | -48.7 | 178 | -77.3 | 172.2 | 0 | 0 | 0 | 111 | L622 I624 S655 L656 S657 V658 K662 R663 L664 | L622-I660 HydrophobicContact CD1-CG2 4.07Å; L622-I660 HydrophobicContact CD2-CG1 4.48Å; I624-I660 HydrophobicContact CD1-CG2 3.4Å; I624-I660 HydrophobicContact CG1-CG2 4.2Å; S655-I660 WeakPolarHBondContact O-CD1 3.47Å; L656-I660 HydrophobicContact CD2-CG2 4.36Å; S657-I660 WeakPolarHBondContact O-CB 3.33Å; S657-I660 PolarHBondContact O-N 3.19Å; S657-I660 WeakPolarHBondContact OG-CB 3.49Å; S657-I660 WeakPolarHBondContact OG-CD1 3.41Å; S657-I660 VanDerWaalsContact OG-CG1 3.32Å; S657-I660 WeakPolarHBondContact OG-CG1 3.37Å; S657-I660 PolarHBondContact OG-N 3.24Å; V658-I660 VanDerWaalsContact C-N 3.34Å; V658-I660 PolarHBondContact O-N 3.47Å; I660-K662 PolarHBondContact O-N 3.03Å; I660-R663 WeakPolarHBondContact O-CB 3.31Å; I660-R663 PolarHBondContact O-N 3.33Å; I660-R663 VanDerWaalsContact O-N 3.12Å; I660-L664 HydrophobicContact CG2-CD1 4.18Å; I660-L664 WeakPolarHBondContact O-CG 3.29Å; I660-L664 PolarHBondContact O-N 3.06Å |
| 661 | L | 97.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.1 | -48.2 | 177.7 | -72.1 | 173.7 | 0 | 0 | 0 | 110.6 | V633 Y636 P644 L647 V648 L656 S657 V658 R663 L664 R665 | V633-L661 HydrophobicContact CG1-CD2 3.99Å; Y636-L661 HydrophobicContact CD1-CB 4.08Å; Y636-L661 HydrophobicContact CD1-CD2 4.37Å; Y636-L661 HydrophobicContact CE1-CB 3.68Å; Y636-L661 WeakPolarHBondContact CE1-O 3.38Å; P644-L661 HydrophobicContact CB-CB 4.39Å; P644-L661 HydrophobicContact CB-CD1 3.9Å; L647-L661 HydrophobicContact CB-CD1 3.98Å; L647-L661 HydrophobicContact CD1-CD1 4.27Å; V648-L661 HydrophobicContact CG2-CD1 3.94Å; L656-L661 HydrophobicContact CD2-CD2 4.09Å; S657-L661 PolarHBondContact O-N 3.07Å; V658-L661 PolarHBondContact O-N 2.94Å; L661-R663 VanDerWaalsContact C-N 3.28Å; L661-R663 PolarHBondContact O-N 3.5Å; L661-L664 PolarHBondContact O-N 3.22Å; L661-R665 PolarHBondContact O-N 3.28Å |
| 662 | K | 96.2 | Very high | 94.3 | Very high | 116 Ų | 116 | 50 Ų | 50 | 50% | 0.504 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.6 | -37.4 | 175.7 | -74.1 | 179 | 178.3 | 177.6 | 0 | 112.1 | V658 I660 K666 | V658-K662 HydrophobicContact CG1-CD 3.96Å; V658-K662 HydrophobicContact CG1-CG 4.4Å; V658-K662 WeakPolarHBondContact O-CB 3.41Å; V658-K662 WeakPolarHBondContact O-CG 3.48Å; V658-K662 PolarHBondContact O-N 3.15Å; I660-K662 PolarHBondContact O-N 3.03Å; K662-K666 VanDerWaalsContact O-CB 3.27Å; K662-K666 WeakPolarHBondContact O-CB 3.06Å; K662-K666 PolarHBondContact O-N 2.96Å |
| 663 | R | 95.2 | Very high | 95 | Very high | 55 Ų | 55 | 41.3 Ų | 41.3 | 21% | 0.208 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.4 | -46.9 | 176.1 | 178.1 | 62 | -170.1 | -165 | 8.7 | 111.8 | V33 L608 P659 I660 L661 R665 K666 E667 | V33-R663 PolarHBondContact O-NH1 2.88Å; V33-R663 PolarHBondContact O-NH2 3.4Å; L608-R663 HydrophobicContact CD1-CG 4.28Å; P659-R663 WeakPolarHBondContact O-CB 3.27Å; P659-R663 PolarHBondContact O-N 3.04Å; I660-R663 WeakPolarHBondContact O-CB 3.31Å; I660-R663 PolarHBondContact O-N 3.33Å; I660-R663 VanDerWaalsContact O-N 3.12Å; L661-R663 VanDerWaalsContact C-N 3.28Å; L661-R663 PolarHBondContact O-N 3.5Å; R663-R665 VanDerWaalsContact C-N 3.34Å; R663-R665 PolarHBondContact O-N 3.48Å; R663-K666 PolarHBondContact O-N 3.07Å; R663-E667 IonicContact CZ-OE2 3.63Å; R663-E667 IonicContact NE-OE2 3.52Å; R663-E667 PolarHBondContact NE-OE2 3.14Å; R663-E667 IonicContact NH2-OE2 3.25Å; R663-E667 PolarHBondContact NH2-OE2 2.87Å; R663-E667 WeakPolarHBondContact O-CB 3.46Å; R663-E667 PolarHBondContact O-N 2.76Å |
| 664 | L | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.2 | -46.1 | 177.8 | -68.8 | 166.4 | 0 | 0 | 0 | 111.2 | I605 L608 L609 L622 I624 I637 I660 L661 E667 F668 | I605-L664 HydrophobicContact CB-CD2 3.9Å; I605-L664 HydrophobicContact CD1-CD2 4.28Å; I605-L664 HydrophobicContact CG2-CB 4.34Å; I605-L664 HydrophobicContact CG2-CD2 4.04Å; I605-L664 VanDerWaalsContact CG2-O 3.27Å; I605-L664 WeakPolarHBondContact CG2-O 3.28Å; L608-L664 HydrophobicContact CB-CD2 3.95Å; L608-L664 HydrophobicContact CD1-CD2 3.85Å; L609-L664 HydrophobicContact CD2-CD2 4.2Å; L622-L664 HydrophobicContact CD1-CD2 4.23Å; L622-L664 HydrophobicContact CD1-CG 4.39Å; I624-L664 HydrophobicContact CD1-CD1 3.79Å; I637-L664 HydrophobicContact CD1-CB 4.04Å; I637-L664 HydrophobicContact CD1-CD1 3.8Å; I637-L664 HydrophobicContact CD1-CG 4.49Å; I637-L664 HydrophobicContact CG1-CB 3.99Å; I637-L664 HydrophobicContact CG1-CD1 4.47Å; I637-L664 HydrophobicContact CG2-CB 4.39Å; I660-L664 HydrophobicContact CG2-CD1 4.18Å; I660-L664 WeakPolarHBondContact O-CG 3.29Å; I660-L664 PolarHBondContact O-N 3.06Å; L661-L664 PolarHBondContact O-N 3.22Å; L664-E667 PolarHBondContact O-N 3.36Å; L664-F668 PolarHBondContact O-N 3.47Å |
| 665 | R | 97.4 | Very high | 96.3 | Very high | 48 Ų | 48 | 31.6 Ų | 31.6 | 18% | 0.181 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.3 | -44.1 | 176.6 | -177.7 | 168.2 | -179.4 | 68.7 | 1 | 112.4 | Y636 I637 G640 L661 R663 E667 F668 L669 | Y636-R665 HydrophobicContact CE1-CB 4.04Å; Y636-R665 WeakPolarHBondContact O-CD 3.05Å; Y636-R665 PolarHBondContact O-NH1 3.1Å; Y636-R665 VanDerWaalsContact O-NH1 3.08Å; I637-R665 PolarHBondContact O-NH1 2.92Å; G640-R665 VanDerWaalsContact CA-NH2 3.34Å; L661-R665 PolarHBondContact O-N 3.28Å; R663-R665 VanDerWaalsContact C-N 3.34Å; R663-R665 PolarHBondContact O-N 3.48Å; R665-E667 VanDerWaalsContact C-N 3.27Å; R665-E667 PolarHBondContact O-N 3.38Å; R665-F668 PolarHBondContact O-N 2.88Å; R665-L669 HydrophobicContact CG-CD1 3.87Å; R665-L669 HydrophobicContact CG-CG 4.25Å; R665-L669 WeakPolarHBondContact O-CG 3.18Å; R665-L669 PolarHBondContact O-N 2.94Å |
| 666 | K | 95.8 | Very high | 96.8 | Very high | 77 Ų | 77 | 29.6 Ų | 29.6 | 34% | 0.335 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -59.3 | -41.1 | 176.3 | -175.3 | -179.4 | -179.3 | -176.7 | 0 | 111.2 | V33 K662 R663 F670 | V33-K666 HydrophobicContact CG1-CD 4.33Å; V33-K666 HydrophobicContact CG1-CG 4.28Å; K662-K666 VanDerWaalsContact O-CB 3.27Å; K662-K666 WeakPolarHBondContact O-CB 3.06Å; K662-K666 PolarHBondContact O-N 2.96Å; R663-K666 PolarHBondContact O-N 3.07Å; K666-F670 WeakPolarHBondContact O-CB 3.5Å; K666-F670 PolarHBondContact O-N 3.38Å |
| 667 | E | 96.7 | Very high | 97 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.7 | -46.3 | 178.4 | -168.4 | 79.1 | -155.2 | 0 | 0 | 111.6 | V33 R197 T604 I605 H607 L608 R663 L664 R665 W671 | V33-E667 WeakPolarHBondContact CB-OE2 3.35Å; V33-E667 HydrophobicContact CG2-CB 4.37Å; V33-E667 HydrophobicContact CG2-CG 4.27Å; V33-E667 WeakPolarHBondContact CG2-OE2 3.2Å; V33-E667 PolarHBondContact N-OE1 3.36Å; V33-E667 PolarHBondContact N-OE2 3.22Å; R197-E667 IonicContact CZ-OE1 3.77Å; R197-E667 IonicContact NH2-OE1 2.63Å; R197-E667 PolarHBondContact NH2-OE1 2.93Å; T604-E667 WeakPolarHBondContact O-CG 3.08Å; I605-E667 HydrophobicContact CG2-CB 4Å; I605-E667 HydrophobicContact CG2-CG 4.18Å; H607-E667 IonicContact CE1-OE1 3.49Å; H607-E667 PolarHBondContact CE1-OE1 2.64Å; H607-E667 IonicContact NE2-OE1 3.71Å; L608-E667 HydrophobicContact CD1-CB 4.24Å; L608-E667 HydrophobicContact CD1-CG 4.13Å; R663-E667 IonicContact CZ-OE2 3.63Å; R663-E667 IonicContact NE-OE2 3.52Å; R663-E667 PolarHBondContact NE-OE2 3.14Å; R663-E667 IonicContact NH2-OE2 3.25Å; R663-E667 PolarHBondContact NH2-OE2 2.87Å; R663-E667 WeakPolarHBondContact O-CB 3.46Å; R663-E667 PolarHBondContact O-N 2.76Å; L664-E667 PolarHBondContact O-N 3.36Å; R665-E667 VanDerWaalsContact C-N 3.27Å; R665-E667 PolarHBondContact O-N 3.38Å; E667-W671 PolarHBondContact O-N 2.81Å; E667-W671 PolarHBondContact OE1-NE1 3.32Å |
| 668 | F | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.9 | -54.2 | 173.4 | 168.6 | -113.6 | 0 | 0 | 0 | 112.5 | A601 T604 F638 L664 R665 F670 W671 Y672 W699 L705 | A601-F668 HydrophobicContact CB-CD2 4.21Å; A601-F668 HydrophobicContact CB-CE2 3.74Å; T604-F668 HydrophobicContact CG2-CD2 4.26Å; T604-F668 WeakPolarHBondContact OG1-CA 3.23Å; F638-F668 HydrophobicContact CD1-CB 4.24Å; F638-F668 AromaticContact CD1-CD1 3.86Å; F638-F668 HydrophobicContact CD1-CD1 3.86Å; F638-F668 AromaticContact CD1-CD2 3.51Å; F638-F668 HydrophobicContact CD1-CD2 3.51Å; F638-F668 HydrophobicContact CD1-CE1 4.05Å; F638-F668 AromaticContact CD1-CE2 3.71Å; F638-F668 HydrophobicContact CD1-CE2 3.71Å; F638-F668 AromaticContact CD1-CG 3.58Å; F638-F668 HydrophobicContact CD1-CG 3.58Å; F638-F668 AromaticContact CD1-CZ 3.98Å; F638-F668 HydrophobicContact CD1-CZ 3.98Å; F638-F668 HydrophobicContact CE1-CB 4.15Å; F638-F668 AromaticContact CE1-CD2 3.6Å; F638-F668 HydrophobicContact CE1-CD2 3.6Å; F638-F668 HydrophobicContact CE1-CE2 4.11Å; F638-F668 AromaticContact CE1-CG 3.85Å; F638-F668 HydrophobicContact CE1-CG 3.85Å; F638-F668 WeakPolarHBondContact O-CE1 3.23Å; L664-F668 PolarHBondContact O-N 3.47Å; R665-F668 PolarHBondContact O-N 2.88Å; F668-F670 VanDerWaalsContact C-N 3.25Å; F668-F670 PolarHBondContact O-N 3.49Å; F668-W671 PolarHBondContact O-N 3.29Å; F668-Y672 HydrophobicContact CD2-CD2 4.23Å; F668-Y672 HydrophobicContact CD2-CG 4.07Å; F668-Y672 AromaticContact CE2-CD1 3.67Å; F668-Y672 HydrophobicContact CE2-CD1 3.67Å; F668-Y672 AromaticContact CE2-CD2 3.71Å; F668-Y672 HydrophobicContact CE2-CD2 3.71Å; F668-Y672 HydrophobicContact CE2-CE1 4.29Å; F668-Y672 HydrophobicContact CE2-CE2 4.32Å; F668-Y672 AromaticContact CE2-CG 3.34Å; F668-Y672 HydrophobicContact CE2-CG 3.34Å; F668-Y672 AromaticContact CZ-CD1 3.86Å; F668-Y672 HydrophobicContact CZ-CD1 3.86Å; F668-Y672 AromaticContact CZ-CG 3.93Å; F668-Y672 HydrophobicContact CZ-CG 3.93Å; F668-Y672 WeakPolarHBondContact O-CB 3.44Å; F668-Y672 PolarHBondContact O-N 3.21Å; F668-W699 HydrophobicContact CE2-CZ2 4.05Å; F668-W699 AromaticContact CZ-CE2 3.88Å; F668-W699 AromaticContact CZ-CZ2 3.6Å; F668-W699 HydrophobicContact CZ-CZ2 3.6Å; F668-W699 AromaticContact CZ-NE1 3.91Å; F668-L705 HydrophobicContact CE1-CD1 4.4Å; F668-L705 HydrophobicContact CZ-CD1 4.41Å |
| 669 | L | 96.2 | Very high | 97.1 | Very high | 74 Ų | 74 | 26 Ų | 26 | 39% | 0.387 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -64.6 | -27.5 | -174 | -69.8 | 177 | 0 | 0 | 0 | 113.8 | R665 | R665-L669 HydrophobicContact CG-CD1 3.87Å; R665-L669 HydrophobicContact CG-CG 4.25Å; R665-L669 WeakPolarHBondContact O-CG 3.18Å; R665-L669 PolarHBondContact O-N 2.94Å |
| 670 | F | 96.7 | Very high | 97 | Very high | 25 Ų | 25 | 21.9 Ų | 21.9 | 11% | 0.11 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -72.5 | -47.4 | 174.4 | 178.7 | -90.3 | 0 | 0 | 0 | 111.5 | V33 P34 S38 I41 K43 L81 K666 F668 | V33-F670 HydrophobicContact CB-CB 4.46Å; V33-F670 HydrophobicContact CB-CD1 4.46Å; V33-F670 HydrophobicContact CB-CG 4.36Å; V33-F670 HydrophobicContact CG1-CB 4.12Å; V33-F670 HydrophobicContact CG1-CD2 4.13Å; V33-F670 HydrophobicContact CG1-CG 4.01Å; V33-F670 HydrophobicContact CG2-CB 3.42Å; V33-F670 VanDerWaalsContact CG2-CB 3.42Å; V33-F670 HydrophobicContact CG2-CD1 3.52Å; V33-F670 HydrophobicContact CG2-CD2 4.44Å; V33-F670 HydrophobicContact CG2-CE1 4.38Å; V33-F670 HydrophobicContact CG2-CG 3.54Å; P34-F670 HydrophobicContact CG-CZ 4.35Å; S38-F670 WeakPolarHBondContact O-CE2 3.27Å; I41-F670 HydrophobicContact CG2-CZ 4.19Å; K43-F670 HydrophobicContact CB-CE1 3.86Å; K43-F670 HydrophobicContact CB-CZ 4.09Å; K43-F670 WeakPolarHBondContact CE-O 3.44Å; K43-F670 HydrophobicContact CG-CE1 4.4Å; K43-F670 WeakPolarHBondContact CG-O 3.34Å; L81-F670 HydrophobicContact CD2-CE1 3.94Å; L81-F670 HydrophobicContact CD2-CZ 4.01Å; K666-F670 WeakPolarHBondContact O-CB 3.5Å; K666-F670 PolarHBondContact O-N 3.38Å; F668-F670 VanDerWaalsContact C-N 3.25Å; F668-F670 PolarHBondContact O-N 3.49Å |
| 671 | W | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -80 | -31.6 | -173.7 | -72.9 | 119.7 | 0 | 0 | 0 | 113.7 | A31 K43 F45 L81 L83 T604 E667 F668 P673 | A31-W671 HydrophobicContact CB-CH2 3.78Å; A31-W671 HydrophobicContact CB-CZ2 3.75Å; K43-W671 HydrophobicContact CB-CE3 4.11Å; K43-W671 HydrophobicContact CB-CZ3 3.95Å; K43-W671 HydrophobicContact CD-CE3 4.34Å; K43-W671 WeakPolarHBondContact CE-O 3.28Å; K43-W671 PolarHBondContact NZ-O 3.45Å; F45-W671 WeakPolarHBondContact CD1-O 3.45Å; L81-W671 HydrophobicContact CB-CH2 4.47Å; L81-W671 HydrophobicContact CD2-CH2 3.73Å; L81-W671 HydrophobicContact CD2-CZ2 4.01Å; L81-W671 HydrophobicContact CG-CH2 3.72Å; L81-W671 HydrophobicContact CG-CZ2 4.43Å; L81-W671 HydrophobicContact CG-CZ3 4.5Å; L81-W671 WeakPolarHBondContact O-CZ3 3.38Å; L83-W671 HydrophobicContact CB-CD2 4.01Å; L83-W671 HydrophobicContact CB-CE3 3.55Å; L83-W671 HydrophobicContact CB-CH2 3.55Å; L83-W671 HydrophobicContact CB-CZ2 4.05Å; L83-W671 HydrophobicContact CB-CZ3 3.3Å; L83-W671 HydrophobicContact CD2-CB 4.28Å; L83-W671 HydrophobicContact CD2-CD2 3.55Å; L83-W671 HydrophobicContact CD2-CE3 3.92Å; L83-W671 HydrophobicContact CD2-CG 3.71Å; L83-W671 HydrophobicContact CD2-CZ2 4.38Å; L83-W671 HydrophobicContact CD2-CZ3 4.45Å; L83-W671 HydrophobicContact CG-CD2 4.4Å; L83-W671 HydrophobicContact CG-CE3 4.36Å; L83-W671 HydrophobicContact CG-CZ3 4.48Å; T604-W671 HydrophobicContact CG2-CB 3.69Å; E667-W671 PolarHBondContact O-N 2.81Å; E667-W671 PolarHBondContact OE1-NE1 3.32Å; F668-W671 PolarHBondContact O-N 3.29Å; W671-P673 VanDerWaalsContact O-O 3.09Å |
| 672 | Y | 97.7 | Very high | 96.4 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 3% | 0.027 | 13% | 0.126 | C | C | . | . | trans | -81.8 | 141.7 | -178.5 | -133.1 | -112.7 | 0 | 0 | 0 | 111.5 | F45 M600 A601 T604 F668 V674 H695 W699 L705 | F45-Y672 HydrophobicContact CD1-CD2 4.38Å; F45-Y672 HydrophobicContact CE1-CD2 4.01Å; F45-Y672 HydrophobicContact CE1-CE2 4.08Å; M600-Y672 HydrophobicContact CB-CE2 4.05Å; A601-Y672 HydrophobicContact CB-CE2 4.07Å; T604-Y672 HydrophobicContact CG2-CD2 4.11Å; F668-Y672 HydrophobicContact CD2-CD2 4.23Å; F668-Y672 HydrophobicContact CD2-CG 4.07Å; F668-Y672 AromaticContact CE2-CD1 3.67Å; F668-Y672 HydrophobicContact CE2-CD1 3.67Å; F668-Y672 AromaticContact CE2-CD2 3.71Å; F668-Y672 HydrophobicContact CE2-CD2 3.71Å; F668-Y672 HydrophobicContact CE2-CE1 4.29Å; F668-Y672 HydrophobicContact CE2-CE2 4.32Å; F668-Y672 AromaticContact CE2-CG 3.34Å; F668-Y672 HydrophobicContact CE2-CG 3.34Å; F668-Y672 AromaticContact CZ-CD1 3.86Å; F668-Y672 HydrophobicContact CZ-CD1 3.86Å; F668-Y672 AromaticContact CZ-CG 3.93Å; F668-Y672 HydrophobicContact CZ-CG 3.93Å; F668-Y672 WeakPolarHBondContact O-CB 3.44Å; F668-Y672 PolarHBondContact O-N 3.21Å; Y672-V674 HydrophobicContact CE2-CG2 4.02Å; Y672-H695 AromaticContact CZ-NE2 3.66Å; Y672-H695 PolarHBondContact OH-CD2 2.96Å; Y672-H695 PolarHBondContact OH-NE2 3.42Å; Y672-W699 HydrophobicContact CE1-CE3 4.32Å; Y672-W699 AromaticContact CE1-CH2 3.86Å; Y672-W699 HydrophobicContact CE1-CH2 3.86Å; Y672-W699 HydrophobicContact CE1-CZ2 4.36Å; Y672-W699 AromaticContact CE1-CZ3 3.83Å; Y672-W699 HydrophobicContact CE1-CZ3 3.83Å; Y672-L705 HydrophobicContact CD1-CB 4.08Å; Y672-L705 HydrophobicContact CD1-CD2 4.14Å; Y672-L705 WeakPolarHBondContact CD1-O 3.47Å; Y672-L705 WeakPolarHBondContact CE1-O 3.46Å | ||
| 673 | P | 97.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.019 | 11% | 0.11 | C | C | . | . | S | Bend | cis | -84.4 | 176.6 | 11.7 | 34.7 | -37.8 | 0 | 0 | 0 | 114.5 | K43 W671 D675 N704 W706 R708 | K43-P673 PolarHBondContact NZ-O 2.52Å; W671-P673 VanDerWaalsContact O-O 3.09Å; P673-D675 PolarHBondContact O-N 2.8Å; P673-N704 WeakPolarHBondContact CD-O 3.45Å; P673-N704 WeakPolarHBondContact CG-O 3.49Å; P673-W706 WeakPolarHBondContact CB-O 3.48Å; P673-R708 HydrophobicContact CB-CG 4.48Å; P673-R708 HydrophobicContact CG-CG 3.76Å |
| 674 | V | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -65.6 | 121.4 | 166.7 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | F45 T47 M600 Y672 L676 R677 Y691 R708 | F45-V674 HydrophobicContact CD1-CG2 4.07Å; F45-V674 HydrophobicContact CE1-CG2 3.81Å; F45-V674 HydrophobicContact CZ-CG2 4.47Å; T47-V674 HydrophobicContact CG2-CG1 4.16Å; T47-V674 HydrophobicContact CG2-CG2 4.29Å; M600-V674 HydrophobicContact CB-CG2 3.49Å; M600-V674 VanDerWaalsContact CB-CG2 3.49Å; M600-V674 HydrophobicContact CG-CG2 3.78Å; Y672-V674 HydrophobicContact CE2-CG2 4.02Å; V674-L676 WeakPolarHBondContact CG1-O 3.49Å; V674-R677 HydrophobicContact CG1-CB 4.37Å; V674-Y691 WeakPolarHBondContact CB-OH 3.47Å; V674-R708 PolarHBondContact O-N 3.32Å | ||
| 675 | D | 98.5 | Very high | 95.9 | Very high | 15 Ų | 15 | 23.7 Ų | 23.7 | 8% | 0.08 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -82 | -33 | 179.2 | -63.3 | -68.6 | 0 | 0 | 0 | 112.3 | K43 Y44 F45 P673 R708 N709 | K43-D675 WeakPolarHBondContact CD-OD2 3.22Å; K43-D675 WeakPolarHBondContact CE-OD2 3.25Å; K43-D675 VanDerWaalsContact NZ-CG 3.34Å; K43-D675 IonicContact NZ-OD1 3.03Å; K43-D675 PolarHBondContact NZ-OD1 3.14Å; K43-D675 IonicContact NZ-OD2 3.44Å; K43-D675 PolarHBondContact NZ-OD2 3.4Å; Y44-D675 WeakPolarHBondContact CA-OD2 3.42Å; Y44-D675 HydrophobicContact CD2-CB 3.69Å; Y44-D675 HydrophobicContact CE2-CB 3.82Å; Y44-D675 HydrophobicContact CG-CB 4.37Å; F45-D675 PolarHBondContact N-OD2 3.24Å; F45-D675 PolarHBondContact O-N 2.95Å; P673-D675 PolarHBondContact O-N 2.8Å; D675-R708 WeakPolarHBondContact OD1-CD 3.21Å; D675-R708 IonicContact OD1-NH1 3.26Å; D675-R708 PolarHBondContact OD1-NH1 3.03Å; D675-N709 WeakPolarHBondContact O-CB 3.47Å; D675-N709 PolarHBondContact O-N 3.24Å |
| 676 | L | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 125.1 | 175 | 178.8 | 64.4 | 0 | 0 | 0 | 111.8 | Y44 F45 V46 T47 S71 V674 V678 N709 R711 | Y44-L676 HydrophobicContact CE1-CB 4.39Å; Y44-L676 WeakPolarHBondContact OH-CB 3.36Å; Y44-L676 WeakPolarHBondContact OH-CD2 3.4Å; F45-L676 PolarHBondContact O-N 3.36Å; V46-L676 CarbonylContact C-O 3.48Å; V46-L676 WeakPolarHBondContact CA-O 3.42Å; V46-L676 HydrophobicContact CG1-CB 4.25Å; V46-L676 HydrophobicContact CG1-CD2 4.15Å; V46-L676 HydrophobicContact CG1-CG 4.3Å; V46-L676 HydrophobicContact CG2-CB 4.29Å; T47-L676 PolarHBondContact N-O 3.12Å; S71-L676 WeakPolarHBondContact OG-CD2 3.5Å; V674-L676 WeakPolarHBondContact CG1-O 3.49Å; L676-V678 HydrophobicContact CD1-CG2 4.33Å; L676-V678 HydrophobicContact CD2-CG2 3.88Å; L676-V678 HydrophobicContact CG-CG2 3.91Å; L676-N709 HydrophobicContact CD1-CB 4.09Å; L676-R711 HydrophobicContact CD1-CB 3.94Å |
| 677 | R | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 117 | 167.5 | 175.2 | 61.9 | 173 | -169.4 | -6 | 109.2 | T47 F48 Y599 M600 V674 H687 L688 Y691 N709 I710 R711 | T47-R677 WeakPolarHBondContact OG1-CD 3.44Å; T47-R677 PolarHBondContact OG1-NH1 2.89Å; F48-R677 PolarHBondContact O-NH1 2.9Å; Y599-R677 VanDerWaalsContact OH-CZ 3.28Å; Y599-R677 PolarHBondContact OH-NH1 3.32Å; Y599-R677 PolarHBondContact OH-NH2 2.94Å; M600-R677 VanDerWaalsContact CE-CZ 3.42Å; M600-R677 VanDerWaalsContact CE-NH1 3.3Å; V674-R677 HydrophobicContact CG1-CB 4.37Å; R677-H687 PolarHBondContact NH2-CE1 3.2Å; R677-L688 HydrophobicContact CG-CD2 3.89Å; R677-Y691 HydrophobicContact CG-CE1 4.5Å; R677-N709 PolarHBondContact N-O 2.93Å; R677-I710 HydrophobicContact CB-CG1 4.14Å; R677-I710 HydrophobicContact CG-CG1 4.47Å; R677-I710 WeakPolarHBondContact O-CA 3.49Å; R677-R711 PolarHBondContact O-N 3.19Å |
| 678 | V | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135.8 | 174 | -174 | 0 | 0 | 0 | 0 | 110.3 | T47 P49 S64 K67 C68 L676 R711 | T47-V678 PolarHBondContact O-N 3.4Å; P49-V678 WeakPolarHBondContact CD-O 3.26Å; S64-V678 WeakPolarHBondContact O-CG1 3.49Å; K67-V678 HydrophobicContact CB-CG1 4.1Å; K67-V678 HydrophobicContact CB-CG2 4.36Å; K67-V678 HydrophobicContact CG-CG1 4.48Å; C68-V678 VanDerWaalsContact SG-CB 3.55Å; C68-V678 WeakPolarHBondContact SG-CG2 3.46Å; L676-V678 HydrophobicContact CD1-CG2 4.33Å; L676-V678 HydrophobicContact CD2-CG2 3.88Å; L676-V678 HydrophobicContact CG-CG2 3.91Å; V678-R711 CarbonylContact C-O 3.58Å; V678-R711 VanDerWaalsContact CA-O 3.28Å; V678-R711 WeakPolarHBondContact CA-O 3.29Å; V678-R711 HydrophobicContact CG1-CG 4.34Å; V678-R711 HydrophobicContact CG2-CB 4.31Å |
| 679 | S | 95.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 173.5 | -179 | -145.1 | 0 | 0 | 0 | 0 | 113.9 | L683 R711 A712 N713 | S679-L683 VanDerWaalsContact OG-CD1 3.22Å; S679-L683 WeakPolarHBondContact OG-CD1 3.31Å; S679-R711 PolarHBondContact N-O 3.37Å; S679-A712 CarbonylContact O-C 3.57Å; S679-A712 VanDerWaalsContact O-CA 3.22Å; S679-A712 WeakPolarHBondContact O-CA 3.45Å; S679-N713 PolarHBondContact O-N 3.09Å; S679-N713 PolarHBondContact O-OD1 2.97Å; S679-N713 VanDerWaalsContact O-OD1 3.13Å |
| 680 | G | 93.6 | Very high | 95.5 | Very high | 10 Ų | 10 | 16.3 Ų | 16.3 | 10% | 0.103 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 154.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.8 | D682 L683 | G680-D682 VanDerWaalsContact C-OD1 3.23Å; G680-D682 VanDerWaalsContact CA-OD1 3.31Å; G680-D682 WeakPolarHBondContact CA-OD1 3.35Å; G680-D682 PolarHBondContact O-N 3.37Å; G680-L683 PolarHBondContact O-N 2.99Å |
| 681 | K | 93.8 | Very high | 95.5 | Very high | 65 Ų | 65 | 15.1 Ų | 15.1 | 28% | 0.283 | 8% | 0.082 | S | C | . | . | G | 310 helix | trans | -63.8 | -27 | 178.1 | 67.9 | 177.5 | 167.9 | -163.1 | 0 | 114 | L683 I684 N713 L756 D758 | K681-L683 PolarHBondContact O-N 3.28Å; K681-I684 HydrophobicContact CB-CD1 4.18Å; K681-I684 WeakPolarHBondContact O-CB 3.22Å; K681-I684 WeakPolarHBondContact O-CG1 3.35Å; K681-I684 PolarHBondContact O-N 2.99Å; K681-N713 PolarHBondContact N-O 3.26Å; K681-L756 HydrophobicContact CB-CD2 3.63Å; K681-L756 WeakPolarHBondContact CD-O 3.35Å; K681-L756 PolarHBondContact NZ-O 3.5Å; K681-D758 VanDerWaalsContact CE-OD1 3.3Å; K681-D758 WeakPolarHBondContact CE-OD1 3.31Å; K681-D758 IonicContact NZ-OD1 2.84Å; K681-D758 PolarHBondContact NZ-OD1 2.88Å |
| 682 | D | 88.9 | Confident | 95.6 | Very high | 75 Ų | 75 | 15.2 Ų | 15.2 | 40% | 0.401 | 8% | 0.082 | S | C | . | . | G | 310 helix | trans | -61.7 | -23.2 | 175.1 | 57.9 | -57.2 | 0 | 0 | 0 | 112.6 | G680 N686 H715 | G680-D682 VanDerWaalsContact C-OD1 3.23Å; G680-D682 VanDerWaalsContact CA-OD1 3.31Å; G680-D682 WeakPolarHBondContact CA-OD1 3.35Å; G680-D682 PolarHBondContact O-N 3.37Å; D682-N686 PolarHBondContact O-ND2 3.03Å; D682-H715 IonicContact OD1-NE2 2.89Å |
| 683 | L | 92.9 | Very high | 95.6 | Very high | 33 Ų | 33 | 14.9 Ų | 14.9 | 17% | 0.173 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | -89.8 | -3.3 | -179.9 | -62.5 | -177.8 | 0 | 0 | 0 | 114.2 | P49 S679 G680 K681 N686 H687 L688 | P49-L683 HydrophobicContact CB-CD1 4.37Å; P49-L683 HydrophobicContact CG-CD1 4.37Å; S679-L683 VanDerWaalsContact OG-CD1 3.22Å; S679-L683 WeakPolarHBondContact OG-CD1 3.31Å; G680-L683 PolarHBondContact O-N 2.99Å; K681-L683 PolarHBondContact O-N 3.28Å; L683-N686 VanDerWaalsContact CA-OD1 3.28Å; L683-N686 WeakPolarHBondContact CA-OD1 3.49Å; L683-N686 WeakPolarHBondContact CD2-OD1 3.49Å; L683-N686 PolarHBondContact O-OD1 3.37Å; L683-H687 HydrophobicContact CB-CB 4.34Å; L683-H687 HydrophobicContact CD2-CB 4.2Å; L683-H687 PolarHBondContact O-N 3.25Å; L683-L688 HydrophobicContact CB-CD1 4.45Å; L683-L688 HydrophobicContact CB-CG 4.23Å; L683-L688 VanDerWaalsContact O-CB 3.29Å; L683-L688 WeakPolarHBondContact O-CB 3.35Å; L683-L688 WeakPolarHBondContact O-CG 3.33Å; L683-L688 PolarHBondContact O-N 2.92Å |
| 684 | I | 95 | Very high | 95.6 | Very high | 16 Ų | 16 | 14.7 Ų | 14.7 | 8% | 0.082 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -43.5 | 179.8 | -65.8 | 170.9 | 0 | 0 | 0 | 110.6 | V556 L560 K681 N686 L688 T689 A712 L756 | V556-I684 HydrophobicContact CG1-CD1 4.41Å; V556-I684 HydrophobicContact CG2-CD1 4.23Å; L560-I684 HydrophobicContact CD2-CG2 4.17Å; L560-I684 HydrophobicContact CG-CG2 4.22Å; K681-I684 HydrophobicContact CB-CD1 4.18Å; K681-I684 WeakPolarHBondContact O-CB 3.22Å; K681-I684 WeakPolarHBondContact O-CG1 3.35Å; K681-I684 PolarHBondContact O-N 2.99Å; I684-N686 VanDerWaalsContact C-N 3.28Å; I684-N686 PolarHBondContact O-N 2.8Å; I684-L688 HydrophobicContact CG1-CD1 3.87Å; I684-T689 PolarHBondContact O-OG1 3.14Å; I684-A712 HydrophobicContact CD1-CB 3.95Å; I684-A712 HydrophobicContact CG1-CB 4.18Å; I684-L756 HydrophobicContact CD1-CD2 4.18Å |
| 685 | S | 90.3 | Very high | 95.6 | Very high | 50 Ų | 50 | 14.8 Ų | 14.8 | 35% | 0.35 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 0.8 | -174.5 | 56.1 | 0 | 0 | 0 | 0 | 115 | T563 W566 | T563-S685 VanDerWaalsContact CG2-O 3.3Å; T563-S685 WeakPolarHBondContact CG2-O 3.31Å; T563-S685 WeakPolarHBondContact OG1-CA 3.18Å; W566-S685 WeakPolarHBondContact CH2-O 3.38Å |
| 686 | N | 90.4 | Very high | 95.6 | Very high | 20 Ų | 20 | 14.2 Ų | 14.2 | 11% | 0.107 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -138.5 | -98.7 | -179.7 | 51.1 | 43.3 | 0 | 0 | 0 | 110.5 | D682 L683 I684 L688 T689 Y690 | D682-N686 PolarHBondContact O-ND2 3.03Å; L683-N686 VanDerWaalsContact CA-OD1 3.28Å; L683-N686 WeakPolarHBondContact CA-OD1 3.49Å; L683-N686 WeakPolarHBondContact CD2-OD1 3.49Å; L683-N686 PolarHBondContact O-OD1 3.37Å; I684-N686 VanDerWaalsContact C-N 3.28Å; I684-N686 PolarHBondContact O-N 2.8Å; N686-L688 PolarHBondContact O-N 2.93Å; N686-T689 CarbonylContact O-C 3.5Å; N686-T689 WeakPolarHBondContact O-CA 3.39Å; N686-T689 WeakPolarHBondContact O-CB 3.15Å; N686-T689 PolarHBondContact O-N 3.37Å; N686-Y690 HydrophobicContact CB-CE2 3.99Å; N686-Y690 WeakPolarHBondContact O-CD1 3.41Å; N686-Y690 VanDerWaalsContact O-CG 3.24Å; N686-Y690 PolarHBondContact O-N 3.46Å |
| 687 | H | 92.9 | Very high | 95.6 | Very high | 8 Ų | 8 | 14.4 Ų | 14.4 | 4% | 0.037 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -51.8 | -43.6 | -172 | -174.1 | -57.9 | 0 | 0 | 0 | 113.8 | L593 S596 R677 L683 T689 Y690 Y691 | L593-H687 HydrophobicContact CD2-CB 4.33Å; S596-H687 PolarHBondContact O-CE1 3.44Å; S596-H687 PolarHBondContact O-NE2 3.47Å; S596-H687 PolarHBondContact OG-CD2 3.12Å; S596-H687 PolarHBondContact OG-NE2 2.79Å; R677-H687 PolarHBondContact NH2-CE1 3.2Å; L683-H687 HydrophobicContact CB-CB 4.34Å; L683-H687 HydrophobicContact CD2-CB 4.2Å; L683-H687 PolarHBondContact O-N 3.25Å; H687-T689 VanDerWaalsContact C-N 3.33Å; H687-Y690 PolarHBondContact O-N 3.47Å; H687-Y691 WeakPolarHBondContact O-CB 3.25Å; H687-Y691 PolarHBondContact O-N 3.46Å |
| 688 | L | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -68 | -34.7 | 179.1 | -70.1 | 174.6 | 0 | 0 | 0 | 111.9 | L560 R677 L683 I684 N686 Y691 L692 I710 | L560-L688 HydrophobicContact CD2-CB 4.22Å; R677-L688 HydrophobicContact CG-CD2 3.89Å; L683-L688 HydrophobicContact CB-CD1 4.45Å; L683-L688 HydrophobicContact CB-CG 4.23Å; L683-L688 VanDerWaalsContact O-CB 3.29Å; L683-L688 WeakPolarHBondContact O-CB 3.35Å; L683-L688 WeakPolarHBondContact O-CG 3.33Å; L683-L688 PolarHBondContact O-N 2.92Å; I684-L688 HydrophobicContact CG1-CD1 3.87Å; N686-L688 PolarHBondContact O-N 2.93Å; L688-Y691 WeakPolarHBondContact O-CB 3.29Å; L688-L692 WeakPolarHBondContact O-CG 3.34Å; L688-L692 PolarHBondContact O-N 3.36Å; L688-I710 HydrophobicContact CD1-CG2 3.84Å; L688-I710 HydrophobicContact CD2-CD1 4.27Å; L688-I710 HydrophobicContact CD2-CG2 3.99Å; L688-I710 HydrophobicContact CG-CG2 4.49Å |
| 689 | T | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -71.1 | -46.1 | 171.9 | -67.4 | 0 | 0 | 0 | 0 | 111 | L560 T563 V564 L567 I684 N686 H687 Y691 L692 Y693 | L560-T689 WeakPolarHBondContact CD2-OG1 3.16Å; T563-T689 HydrophobicContact CG2-CG2 3.7Å; T563-T689 WeakPolarHBondContact CG2-OG1 3.26Å; V564-T689 HydrophobicContact CG2-CG2 4.16Å; L567-T689 HydrophobicContact CD2-CG2 3.92Å; I684-T689 PolarHBondContact O-OG1 3.14Å; N686-T689 CarbonylContact O-C 3.5Å; N686-T689 WeakPolarHBondContact O-CA 3.39Å; N686-T689 WeakPolarHBondContact O-CB 3.15Å; N686-T689 PolarHBondContact O-N 3.37Å; H687-T689 VanDerWaalsContact C-N 3.33Å; T689-Y691 PolarHBondContact O-N 3.26Å; T689-L692 WeakPolarHBondContact O-CB 3.43Å; T689-L692 PolarHBondContact O-N 2.84Å; T689-Y693 HydrophobicContact CG2-CD2 3.57Å; T689-Y693 HydrophobicContact CG2-CE2 3.46Å; T689-Y693 VanDerWaalsContact CG2-CE2 3.46Å; T689-Y693 WeakPolarHBondContact O-CD2 3.31Å; T689-Y693 PolarHBondContact O-N 3.47Å |
| 690 | Y | 97 | Very high | 95.6 | Very high | 16 Ų | 16 | 17.3 Ų | 17.3 | 6% | 0.063 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.3 | -37.3 | 178.3 | -57 | -10.2 | 0 | 0 | 0 | 111.9 | Y534 L567 H570 L593 N686 H687 Y693 N694 | Y534-Y690 AromaticContact CD2-CD1 3.99Å; Y534-Y690 HydrophobicContact CD2-CD1 3.99Å; Y534-Y690 HydrophobicContact CD2-CE1 4.07Å; Y534-Y690 AromaticContact CE2-CD1 3.38Å; Y534-Y690 HydrophobicContact CE2-CD1 3.38Å; Y534-Y690 HydrophobicContact CE2-CD2 4.46Å; Y534-Y690 AromaticContact CE2-CE1 3.73Å; Y534-Y690 HydrophobicContact CE2-CE1 3.73Å; Y534-Y690 AromaticContact CE2-CG 3.82Å; Y534-Y690 HydrophobicContact CE2-CG 3.82Å; Y534-Y690 AromaticContact CZ-CD1 3.98Å; Y534-Y690 WeakPolarHBondContact OH-CB 3.26Å; L567-Y690 HydrophobicContact CD1-CE1 3.95Å; L567-Y690 HydrophobicContact CD2-CD1 4.01Å; L567-Y690 HydrophobicContact CD2-CE1 3.69Å; L567-Y690 HydrophobicContact CG-CE1 4.48Å; H570-Y690 AromaticContact CD2-CE2 3.97Å; H570-Y690 AromaticContact CE1-CE2 3.69Å; H570-Y690 AromaticContact CE1-CZ 3.93Å; H570-Y690 AromaticContact CG-CZ 3.95Å; H570-Y690 AromaticContact ND1-CE2 3.98Å; H570-Y690 AromaticContact ND1-CZ 3.76Å; H570-Y690 PolarHBondContact ND1-OH 2.91Å; H570-Y690 AromaticContact NE2-CE2 3.69Å; L593-Y690 HydrophobicContact CB-CD2 4.08Å; L593-Y690 HydrophobicContact CB-CE2 4.1Å; L593-Y690 HydrophobicContact CD1-CE2 4.19Å; N686-Y690 HydrophobicContact CB-CE2 3.99Å; N686-Y690 WeakPolarHBondContact O-CD1 3.41Å; N686-Y690 VanDerWaalsContact O-CG 3.24Å; N686-Y690 PolarHBondContact O-N 3.46Å; H687-Y690 PolarHBondContact O-N 3.47Å; Y690-Y693 PolarHBondContact O-N 3.14Å; Y690-N694 PolarHBondContact O-N 2.98Å; Y690-N694 PolarHBondContact O-ND2 3.35Å |
| 691 | Y | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -53.1 | -52 | 170.1 | 166.3 | -108.6 | 0 | 0 | 0 | 110.9 | T597 M600 V674 R677 H687 L688 T689 N694 H695 P707 I710 | T597-Y691 VanDerWaalsContact O-CD2 3.27Å; T597-Y691 WeakPolarHBondContact O-CD2 3.41Å; M600-Y691 HydrophobicContact CE-CD2 3.62Å; M600-Y691 HydrophobicContact CE-CE2 3.4Å; M600-Y691 VanDerWaalsContact CE-CE2 3.4Å; M600-Y691 HydrophobicContact CG-CE2 4.48Å; M600-Y691 HydrophobicContact SD-CD2 4Å; M600-Y691 HydrophobicContact SD-CE2 3.59Å; M600-Y691 VanDerWaalsContact SD-CE2 3.59Å; V674-Y691 WeakPolarHBondContact CB-OH 3.47Å; R677-Y691 HydrophobicContact CG-CE1 4.5Å; H687-Y691 WeakPolarHBondContact O-CB 3.25Å; H687-Y691 PolarHBondContact O-N 3.46Å; L688-Y691 WeakPolarHBondContact O-CB 3.29Å; T689-Y691 PolarHBondContact O-N 3.26Å; Y691-N694 PolarHBondContact O-N 3.23Å; Y691-H695 AromaticContact CD2-CE1 3.22Å; Y691-H695 WeakPolarHBondContact CD2-CE1 3.46Å; Y691-H695 AromaticContact CD2-ND1 3.64Å; Y691-H695 AromaticContact CE2-CE1 3Å; Y691-H695 WeakPolarHBondContact CE2-CE1 3.41Å; Y691-H695 AromaticContact CE2-ND1 3.74Å; Y691-H695 AromaticContact CE2-NE2 3.53Å; Y691-H695 AromaticContact CZ-CE1 3.81Å; Y691-H695 PolarHBondContact O-N 2.95Å; Y691-H695 PolarHBondContact O-ND1 3.26Å; Y691-P707 HydrophobicContact CD1-CG 4.04Å; Y691-P707 HydrophobicContact CE1-CB 3.4Å; Y691-P707 VanDerWaalsContact CE1-CB 3.4Å; Y691-P707 HydrophobicContact CE1-CG 3.18Å; Y691-P707 HydrophobicContact CE2-CG 4.02Å; Y691-P707 WeakPolarHBondContact OH-CB 3.4Å; Y691-P707 WeakPolarHBondContact OH-CG 3.33Å; Y691-I710 HydrophobicContact CD1-CD1 4.15Å; Y691-I710 HydrophobicContact CE1-CD1 4.12Å; Y691-I710 HydrophobicContact CE1-CG1 4.42Å |
| 692 | L | 98.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.7 | -45.5 | 177.1 | -64.3 | 175.8 | 0 | 0 | 0 | 112.5 | V543 V547 L550 L560 L688 T689 N694 H695 T696 P707 I710 | V543-L692 HydrophobicContact CG1-CB 4.08Å; V547-L692 HydrophobicContact CG2-CD1 3.64Å; L550-L692 HydrophobicContact CD2-CD1 4.48Å; L560-L692 HydrophobicContact CD1-CD1 4.13Å; L560-L692 HydrophobicContact CD2-CD1 4.22Å; L688-L692 WeakPolarHBondContact O-CG 3.34Å; L688-L692 PolarHBondContact O-N 3.36Å; T689-L692 WeakPolarHBondContact O-CB 3.43Å; T689-L692 PolarHBondContact O-N 2.84Å; L692-N694 VanDerWaalsContact C-N 3.35Å; L692-N694 PolarHBondContact O-N 3.38Å; L692-H695 PolarHBondContact O-N 2.95Å; L692-T696 WeakPolarHBondContact O-CG2 3.26Å; L692-T696 PolarHBondContact O-N 2.85Å; L692-T696 PolarHBondContact O-OG1 3.32Å; L692-P707 HydrophobicContact CD2-CB 4.21Å; L692-P707 HydrophobicContact CD2-CG 4.01Å; L692-I710 HydrophobicContact CD1-CD1 4.45Å; L692-I710 HydrophobicContact CD2-CD1 4.33Å; L692-I710 HydrophobicContact CG-CD1 4.43Å |
| 693 | Y | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -54.7 | -48.7 | 176.4 | -89.7 | -92.8 | 0 | 0 | 0 | 112.2 | Y534 W539 K540 V543 V564 L567 T689 Y690 H695 T696 A697 | Y534-Y693 AromaticContact CD1-CD1 3.23Å; Y534-Y693 HydrophobicContact CD1-CD1 3.23Å; Y534-Y693 HydrophobicContact CD1-CD2 4.27Å; Y534-Y693 AromaticContact CD1-CE1 3.8Å; Y534-Y693 HydrophobicContact CD1-CE1 3.8Å; Y534-Y693 AromaticContact CD1-CG 3.5Å; Y534-Y693 HydrophobicContact CD1-CG 3.5Å; Y534-Y693 VanDerWaalsContact CE1-CB 3.47Å; Y534-Y693 AromaticContact CE1-CD1 3.9Å; Y534-Y693 HydrophobicContact CE1-CD1 3.9Å; Y534-Y693 AromaticContact CE1-CG 3.77Å; Y534-Y693 HydrophobicContact CE1-CG 3.77Å; Y534-Y693 AromaticContact CG-CD1 3.92Å; Y534-Y693 HydrophobicContact CG-CD1 3.92Å; Y534-Y693 HydrophobicContact CG-CE1 4.07Å; Y534-Y693 HydrophobicContact CG-CG 4.15Å; Y534-Y693 VanDerWaalsContact O-CE1 3.3Å; Y534-Y693 WeakPolarHBondContact O-CE1 3.27Å; Y534-Y693 PolarHBondContact O-OH 3.29Å; W539-Y693 HydrophobicContact CB-CD1 4.42Å; W539-Y693 HydrophobicContact CB-CE1 4.2Å; W539-Y693 AromaticContact CD1-CD1 3.61Å; W539-Y693 AromaticContact CD2-CD1 3.51Å; W539-Y693 HydrophobicContact CD2-CD1 3.51Å; W539-Y693 HydrophobicContact CD2-CE1 4.08Å; W539-Y693 AromaticContact CE2-CD1 3.5Å; W539-Y693 VanDerWaalsContact CE2-CD1 3.5Å; W539-Y693 HydrophobicContact CE3-CD1 4.1Å; W539-Y693 AromaticContact CG-CD1 3.62Å; W539-Y693 HydrophobicContact CG-CD1 3.62Å; W539-Y693 AromaticContact CG-CE1 3.89Å; W539-Y693 HydrophobicContact CG-CE1 3.89Å; W539-Y693 HydrophobicContact CZ2-CD1 4.09Å; W539-Y693 VanDerWaalsContact CZ2-O 3.31Å; W539-Y693 WeakPolarHBondContact CZ2-O 3.47Å; W539-Y693 AromaticContact NE1-CD1 3.55Å; W539-Y693 PolarHBondContact NE1-O 3.17Å; K540-Y693 WeakPolarHBondContact CG-OH 3.35Å; V543-Y693 HydrophobicContact CB-CD2 4.37Å; V543-Y693 HydrophobicContact CB-CE2 4.26Å; V543-Y693 HydrophobicContact CG1-CD2 3.98Å; V543-Y693 HydrophobicContact CG1-CE2 3.94Å; V543-Y693 HydrophobicContact CG2-CD1 3.61Å; V543-Y693 HydrophobicContact CG2-CD2 3.74Å; V543-Y693 HydrophobicContact CG2-CE1 3.9Å; V543-Y693 HydrophobicContact CG2-CE2 4Å; V543-Y693 HydrophobicContact CG2-CG 3.55Å; V564-Y693 HydrophobicContact CG2-CE2 4.13Å; L567-Y693 HydrophobicContact CD2-CD2 4.41Å; L567-Y693 HydrophobicContact CD2-CE2 3.9Å; T689-Y693 HydrophobicContact CG2-CD2 3.57Å; T689-Y693 HydrophobicContact CG2-CE2 3.46Å; T689-Y693 VanDerWaalsContact CG2-CE2 3.46Å; T689-Y693 WeakPolarHBondContact O-CD2 3.31Å; T689-Y693 PolarHBondContact O-N 3.47Å; Y690-Y693 PolarHBondContact O-N 3.14Å; Y693-H695 PolarHBondContact O-N 3Å; Y693-T696 PolarHBondContact O-N 3.33Å; Y693-T696 PolarHBondContact O-OG1 3.1Å; Y693-A697 WeakPolarHBondContact O-CB 3.35Å; Y693-A697 PolarHBondContact O-N 2.82Å |
| 694 | N | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70 | -34.3 | -178.5 | -76.7 | -95 | 0 | 0 | 0 | 112 | Q215 L219 Y534 T597 I598 Y690 Y691 L692 A697 I698 | Q215-N694 PolarHBondContact NE2-OD1 2.96Å; L219-N694 VanDerWaalsContact CD1-OD1 3.28Å; L219-N694 WeakPolarHBondContact CD1-OD1 3.22Å; Y534-N694 PolarHBondContact OH-ND2 3.5Å; T597-N694 WeakPolarHBondContact CB-ND2 3.49Å; T597-N694 WeakPolarHBondContact OG1-CB 3.35Å; T597-N694 PolarHBondContact OG1-ND2 3.26Å; T597-N694 PolarHBondContact OG1-OD1 3.43Å; I598-N694 HydrophobicContact CG2-CB 3.87Å; Y690-N694 PolarHBondContact O-N 2.98Å; Y690-N694 PolarHBondContact O-ND2 3.35Å; Y691-N694 PolarHBondContact O-N 3.23Å; L692-N694 VanDerWaalsContact C-N 3.35Å; L692-N694 PolarHBondContact O-N 3.38Å; N694-A697 PolarHBondContact O-N 2.88Å; N694-I698 WeakPolarHBondContact O-CB 3.03Å; N694-I698 WeakPolarHBondContact O-CG1 3.18Å; N694-I698 PolarHBondContact O-N 3.04Å |
| 695 | H | 98.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 174.6 | -78.9 | 67.1 | 0 | 0 | 0 | 112.3 | T597 Y672 Y691 L692 Y693 A697 W699 P707 | T597-H695 PolarHBondContact O-CE1 3.2Å; T597-H695 PolarHBondContact O-ND1 2.77Å; Y672-H695 AromaticContact CZ-NE2 3.66Å; Y672-H695 PolarHBondContact OH-CD2 2.96Å; Y672-H695 PolarHBondContact OH-NE2 3.42Å; Y691-H695 AromaticContact CD2-CE1 3.22Å; Y691-H695 WeakPolarHBondContact CD2-CE1 3.46Å; Y691-H695 AromaticContact CD2-ND1 3.64Å; Y691-H695 AromaticContact CE2-CE1 3Å; Y691-H695 WeakPolarHBondContact CE2-CE1 3.41Å; Y691-H695 AromaticContact CE2-ND1 3.74Å; Y691-H695 AromaticContact CE2-NE2 3.53Å; Y691-H695 AromaticContact CZ-CE1 3.81Å; Y691-H695 PolarHBondContact O-N 2.95Å; Y691-H695 PolarHBondContact O-ND1 3.26Å; L692-H695 PolarHBondContact O-N 2.95Å; Y693-H695 PolarHBondContact O-N 3Å; H695-A697 VanDerWaalsContact C-N 3.29Å; H695-A697 PolarHBondContact O-N 3.24Å; H695-W699 HydrophobicContact CB-CE3 4.48Å; H695-W699 AromaticContact CD2-CZ3 3.73Å; H695-W699 PolarHBondContact O-N 3.15Å; H695-P707 HydrophobicContact CB-CG 4.38Å |
| 696 | T | 98.2 | Very high | 96.7 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.3 | -27.6 | 177.4 | 61.3 | 0 | 0 | 0 | 0 | 112.4 | W539 E542 V543 A546 L692 Y693 P700 W706 | W539-T696 PolarHBondContact NE1-OG1 2.86Å; E542-T696 HydrophobicContact CB-CG2 4.43Å; V543-T696 HydrophobicContact CG2-CG2 4.39Å; A546-T696 HydrophobicContact CB-CG2 3.69Å; L692-T696 WeakPolarHBondContact O-CG2 3.26Å; L692-T696 PolarHBondContact O-N 2.85Å; L692-T696 PolarHBondContact O-OG1 3.32Å; Y693-T696 PolarHBondContact O-N 3.33Å; Y693-T696 PolarHBondContact O-OG1 3.1Å; T696-P700 WeakPolarHBondContact O-CA 3.46Å; T696-P700 WeakPolarHBondContact O-CB 3.36Å; T696-W706 HydrophobicContact CG2-CD2 4.04Å; T696-W706 HydrophobicContact CG2-CE3 4.24Å; T696-W706 HydrophobicContact CG2-CH2 4.09Å; T696-W706 HydrophobicContact CG2-CZ2 3.9Å; T696-W706 HydrophobicContact CG2-CZ3 4.25Å |
| 697 | A | 98.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 3% | 0.033 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -78.4 | -38.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L219 Q222 W539 Y693 N694 H695 P700 | L219-A697 HydrophobicContact CD2-CB 3.62Å; Q222-A697 PolarHBondContact NE2-O 3.16Å; Q222-A697 PolarHBondContact OE1-O 2.98Å; W539-A697 HydrophobicContact CH2-CB 4.49Å; W539-A697 HydrophobicContact CZ2-CB 3.54Å; Y693-A697 WeakPolarHBondContact O-CB 3.35Å; Y693-A697 PolarHBondContact O-N 2.82Å; N694-A697 PolarHBondContact O-N 2.88Å; H695-A697 VanDerWaalsContact C-N 3.29Å; H695-A697 PolarHBondContact O-N 3.24Å; A697-P700 WeakPolarHBondContact O-CD 3.22Å |
| 698 | I | 98.4 | Very high | 97.3 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -77.5 | -36.1 | -178.4 | -62.3 | -70 | 0 | 0 | 0 | 110.9 | W214 Q215 T218 L219 I598 L639 N694 P700 | W214-I698 HydrophobicContact CH2-CG2 4.08Å; Q215-I698 HydrophobicContact CG-CD1 4.15Å; T218-I698 HydrophobicContact CG2-CD1 3.79Å; L219-I698 HydrophobicContact CD2-CD1 4.36Å; L219-I698 HydrophobicContact CG-CD1 4.39Å; I598-I698 HydrophobicContact CD1-CD1 4.47Å; I598-I698 HydrophobicContact CD1-CG1 4.15Å; I598-I698 HydrophobicContact CD1-CG2 4.42Å; I598-I698 HydrophobicContact CG2-CG1 4.33Å; L639-I698 HydrophobicContact CD2-CG2 3.95Å; L639-I698 WeakPolarHBondContact CD2-O 3.33Å; N694-I698 WeakPolarHBondContact O-CB 3.03Å; N694-I698 WeakPolarHBondContact O-CG1 3.18Å; N694-I698 PolarHBondContact O-N 3.04Å; I698-P700 VanDerWaalsContact C-CD 3.46Å; I698-P700 WeakPolarHBondContact O-CD 3.28Å |
| 699 | W | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -124.5 | 60.4 | 179.1 | -60.6 | -75 | 0 | 0 | 0 | 112.7 | I598 A601 F638 F668 Y672 H695 N701 E702 L705 W706 | I598-W699 HydrophobicContact CB-CH2 4.33Å; I598-W699 HydrophobicContact CB-CZ3 4.38Å; I598-W699 HydrophobicContact CG2-CH2 4.45Å; I598-W699 HydrophobicContact CG2-CZ3 4.03Å; A601-W699 HydrophobicContact CB-CH2 3.85Å; A601-W699 HydrophobicContact CB-CZ2 4.16Å; F638-W699 HydrophobicContact CB-CZ2 4.44Å; F638-W699 PolarHBondContact O-NE1 3.21Å; F668-W699 HydrophobicContact CE2-CZ2 4.05Å; F668-W699 AromaticContact CZ-CE2 3.88Å; F668-W699 AromaticContact CZ-CZ2 3.6Å; F668-W699 HydrophobicContact CZ-CZ2 3.6Å; F668-W699 AromaticContact CZ-NE1 3.91Å; Y672-W699 HydrophobicContact CE1-CE3 4.32Å; Y672-W699 AromaticContact CE1-CH2 3.86Å; Y672-W699 HydrophobicContact CE1-CH2 3.86Å; Y672-W699 HydrophobicContact CE1-CZ2 4.36Å; Y672-W699 AromaticContact CE1-CZ3 3.83Å; Y672-W699 HydrophobicContact CE1-CZ3 3.83Å; H695-W699 HydrophobicContact CB-CE3 4.48Å; H695-W699 AromaticContact CD2-CZ3 3.73Å; H695-W699 PolarHBondContact O-N 3.15Å; W699-N701 VanDerWaalsContact C-N 3.29Å; W699-N701 PolarHBondContact O-N 2.98Å; W699-E702 HydrophobicContact CB-CB 4.25Å; W699-E702 PolarHBondContact O-N 3.22Å; W699-L705 HydrophobicContact CB-CB 4.28Å; W699-L705 HydrophobicContact CB-CD1 4.47Å; W699-L705 HydrophobicContact CD2-CB 4.37Å; W699-L705 HydrophobicContact CD2-CD1 4.49Å; W699-L705 HydrophobicContact CG-CB 4.12Å; W699-L705 HydrophobicContact CG-CD1 3.89Å; W699-W706 PolarHBondContact O-NE1 3.02Å |
| 700 | P | 95 | Very high | 97.4 | Very high | 54 Ų | 54 | 30.4 Ų | 30.4 | 35% | 0.351 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -30.8 | -169.2 | 24.7 | -34.4 | 0 | 0 | 0 | 114.5 | T696 A697 I698 | T696-P700 WeakPolarHBondContact O-CA 3.46Å; T696-P700 WeakPolarHBondContact O-CB 3.36Å; A697-P700 WeakPolarHBondContact O-CD 3.22Å; I698-P700 VanDerWaalsContact C-CD 3.46Å; I698-P700 WeakPolarHBondContact O-CD 3.28Å |
| 701 | N | 94.2 | Very high | 97.4 | Very high | 151 Ų | 151 | 30.7 Ų | 30.7 | 81% | 0.807 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 10.1 | -177.1 | -58.6 | -44.8 | 0 | 0 | 0 | 113.1 | W699 P703 | W699-N701 VanDerWaalsContact C-N 3.29Å; W699-N701 PolarHBondContact O-N 2.98Å; N701-P703 VanDerWaalsContact C-CD 3.44Å; N701-P703 WeakPolarHBondContact O-CD 3.45Å |
| 702 | E | 96.4 | Very high | 97.4 | Very high | 61 Ų | 61 | 30.9 Ų | 30.9 | 29% | 0.285 | 16% | 0.159 | S | C | . | . | trans | -126.6 | 68.4 | -177.8 | -62.6 | -172.9 | 88.5 | 0 | 0 | 110.3 | W699 N704 L705 | W699-E702 HydrophobicContact CB-CB 4.25Å; W699-E702 PolarHBondContact O-N 3.22Å; E702-N704 WeakPolarHBondContact CA-OD1 3.42Å; E702-N704 PolarHBondContact O-N 2.93Å; E702-L705 HydrophobicContact CB-CB 4.32Å; E702-L705 HydrophobicContact CB-CD1 3.9Å; E702-L705 HydrophobicContact CB-CG 4.05Å; E702-L705 HydrophobicContact CG-CD1 4.41Å; E702-L705 WeakPolarHBondContact O-CB 3.49Å; E702-L705 PolarHBondContact O-N 2.59Å | ||
| 703 | P | 95.8 | Very high | 97.2 | Very high | 67 Ų | 67 | 31 Ų | 31 | 44% | 0.435 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -61 | -18.5 | 178.6 | 26 | -35.1 | 0 | 0 | 0 | 113.4 | N701 L705 W706 | N701-P703 VanDerWaalsContact C-CD 3.44Å; N701-P703 WeakPolarHBondContact O-CD 3.45Å; P703-L705 PolarHBondContact O-N 3.11Å; P703-W706 HydrophobicContact CB-CD2 3.92Å; P703-W706 HydrophobicContact CB-CE3 3.78Å; P703-W706 HydrophobicContact CB-CH2 4.19Å; P703-W706 HydrophobicContact CB-CZ2 4.29Å; P703-W706 HydrophobicContact CB-CZ3 3.93Å; P703-W706 WeakPolarHBondContact O-CB 3.29Å; P703-W706 PolarHBondContact O-N 3.32Å; P703-W706 VanDerWaalsContact O-N 3.13Å |
| 704 | N | 95.9 | Very high | 97 | Very high | 96 Ų | 96 | 31.1 Ų | 31.1 | 51% | 0.513 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -64.9 | -19.7 | 169.8 | 59.1 | -68.7 | 0 | 0 | 0 | 113.5 | P673 E702 | P673-N704 WeakPolarHBondContact CD-O 3.45Å; P673-N704 WeakPolarHBondContact CG-O 3.49Å; E702-N704 WeakPolarHBondContact CA-OD1 3.42Å; E702-N704 PolarHBondContact O-N 2.93Å |
| 705 | L | 97.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -94.7 | -0.8 | 173.6 | -62.3 | -179.6 | 0 | 0 | 0 | 112.6 | F668 Y672 W699 E702 P703 | F668-L705 HydrophobicContact CE1-CD1 4.4Å; F668-L705 HydrophobicContact CZ-CD1 4.41Å; Y672-L705 HydrophobicContact CD1-CB 4.08Å; Y672-L705 HydrophobicContact CD1-CD2 4.14Å; Y672-L705 WeakPolarHBondContact CD1-O 3.47Å; Y672-L705 WeakPolarHBondContact CE1-O 3.46Å; W699-L705 HydrophobicContact CB-CB 4.28Å; W699-L705 HydrophobicContact CB-CD1 4.47Å; W699-L705 HydrophobicContact CD2-CB 4.37Å; W699-L705 HydrophobicContact CD2-CD1 4.49Å; W699-L705 HydrophobicContact CG-CB 4.12Å; W699-L705 HydrophobicContact CG-CD1 3.89Å; E702-L705 HydrophobicContact CB-CB 4.32Å; E702-L705 HydrophobicContact CB-CD1 3.9Å; E702-L705 HydrophobicContact CB-CG 4.05Å; E702-L705 HydrophobicContact CG-CD1 4.41Å; E702-L705 WeakPolarHBondContact O-CB 3.49Å; E702-L705 PolarHBondContact O-N 2.59Å; P703-L705 PolarHBondContact O-N 3.11Å |
| 706 | W | 98.3 | Very high | 96.6 | Very high | 14 Ų | 14 | 36 Ų | 36 | 5% | 0.053 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -80 | 156.1 | 176.4 | -61.2 | -4.9 | 0 | 0 | 0 | 112.1 | K545 A546 P673 T696 W699 P703 R708 | K545-W706 HydrophobicContact CB-CZ3 4.2Å; A546-W706 HydrophobicContact CB-CD2 4.36Å; A546-W706 HydrophobicContact CB-CE3 3.64Å; A546-W706 HydrophobicContact CB-CZ3 3.97Å; P673-W706 WeakPolarHBondContact CB-O 3.48Å; T696-W706 HydrophobicContact CG2-CD2 4.04Å; T696-W706 HydrophobicContact CG2-CE3 4.24Å; T696-W706 HydrophobicContact CG2-CH2 4.09Å; T696-W706 HydrophobicContact CG2-CZ2 3.9Å; T696-W706 HydrophobicContact CG2-CZ3 4.25Å; W699-W706 PolarHBondContact O-NE1 3.02Å; P703-W706 HydrophobicContact CB-CD2 3.92Å; P703-W706 HydrophobicContact CB-CE3 3.78Å; P703-W706 HydrophobicContact CB-CH2 4.19Å; P703-W706 HydrophobicContact CB-CZ2 4.29Å; P703-W706 HydrophobicContact CB-CZ3 3.93Å; P703-W706 WeakPolarHBondContact O-CB 3.29Å; P703-W706 PolarHBondContact O-N 3.32Å; P703-W706 VanDerWaalsContact O-N 3.13Å; W706-R708 PolarHBondContact O-N 2.91Å |
| 707 | P | 98.3 | Very high | 96.4 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | trans | -56.9 | 135.6 | 179.9 | -28.2 | 40.4 | 0 | 0 | 0 | 112.9 | L550 Y691 L692 H695 | L550-P707 HydrophobicContact CD1-CB 4.27Å; L550-P707 VanDerWaalsContact CD1-O 3.3Å; L550-P707 WeakPolarHBondContact CD1-O 3.47Å; Y691-P707 HydrophobicContact CD1-CG 4.04Å; Y691-P707 HydrophobicContact CE1-CB 3.4Å; Y691-P707 VanDerWaalsContact CE1-CB 3.4Å; Y691-P707 HydrophobicContact CE1-CG 3.18Å; Y691-P707 HydrophobicContact CE2-CG 4.02Å; Y691-P707 WeakPolarHBondContact OH-CB 3.4Å; Y691-P707 WeakPolarHBondContact OH-CG 3.33Å; L692-P707 HydrophobicContact CD2-CB 4.21Å; L692-P707 HydrophobicContact CD2-CG 4.01Å; H695-P707 HydrophobicContact CB-CG 4.38Å | ||
| 708 | R | 98.1 | Very high | 96.2 | Very high | 127 Ų | 127 | 37.7 Ų | 37.7 | 48% | 0.479 | 19% | 0.191 | S | C | . | . | trans | -94.3 | -36 | -175.6 | -65.9 | -178 | 173.7 | -174.4 | -1.6 | 114.6 | S551 P673 V674 D675 W706 | S551-R708 WeakPolarHBondContact CB-O 3.35Å; S551-R708 PolarHBondContact N-O 3.01Å; P673-R708 HydrophobicContact CB-CG 4.48Å; P673-R708 HydrophobicContact CG-CG 3.76Å; V674-R708 PolarHBondContact O-N 3.32Å; D675-R708 WeakPolarHBondContact OD1-CD 3.21Å; D675-R708 IonicContact OD1-NH1 3.26Å; D675-R708 PolarHBondContact OD1-NH1 3.03Å; W706-R708 PolarHBondContact O-N 2.91Å | ||
| 709 | N | 97.7 | Very high | 95.8 | Very high | 25 Ų | 25 | 39.9 Ų | 39.9 | 13% | 0.134 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -141.5 | 135.3 | -179.5 | -167.2 | -34.3 | 0 | 0 | 0 | 111.7 | S551 D675 L676 R677 Q829 | S551-N709 WeakPolarHBondContact O-CA 3.34Å; S551-N709 PolarHBondContact O-OD1 3.45Å; S551-N709 VanDerWaalsContact O-OD1 3.05Å; D675-N709 WeakPolarHBondContact O-CB 3.47Å; D675-N709 PolarHBondContact O-N 3.24Å; L676-N709 HydrophobicContact CD1-CB 4.09Å; R677-N709 PolarHBondContact N-O 2.93Å; N709-Q829 PolarHBondContact ND2-NE2 3.45Å |
| 710 | I | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 121 | 166.3 | -65.6 | 173.4 | 0 | 0 | 0 | 108.8 | L550 S551 V556 L560 R677 L688 Y691 L692 | L550-I710 HydrophobicContact CD1-CD1 4.29Å; L550-I710 HydrophobicContact CD1-CG1 3.98Å; L550-I710 HydrophobicContact CD2-CB 3.99Å; L550-I710 HydrophobicContact CD2-CD1 3.57Å; L550-I710 HydrophobicContact CD2-CG1 3.83Å; L550-I710 HydrophobicContact CG-CG1 4.42Å; S551-I710 PolarHBondContact O-N 3.45Å; V556-I710 HydrophobicContact CG1-CG2 4.22Å; L560-I710 HydrophobicContact CD1-CD1 4.46Å; R677-I710 HydrophobicContact CB-CG1 4.14Å; R677-I710 HydrophobicContact CG-CG1 4.47Å; R677-I710 WeakPolarHBondContact O-CA 3.49Å; L688-I710 HydrophobicContact CD1-CG2 3.84Å; L688-I710 HydrophobicContact CD2-CD1 4.27Å; L688-I710 HydrophobicContact CD2-CG2 3.99Å; L688-I710 HydrophobicContact CG-CG2 4.49Å; Y691-I710 HydrophobicContact CD1-CD1 4.15Å; Y691-I710 HydrophobicContact CE1-CD1 4.12Å; Y691-I710 HydrophobicContact CE1-CG1 4.42Å; L692-I710 HydrophobicContact CD1-CD1 4.45Å; L692-I710 HydrophobicContact CD2-CD1 4.33Å; L692-I710 HydrophobicContact CG-CD1 4.43Å |
| 711 | R | 96.6 | Very high | 95.1 | Very high | 22 Ų | 22 | 45.6 Ų | 45.6 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.2 | 166.5 | 171.2 | 162.1 | 178.8 | 67.8 | -7.3 | 109.3 | L676 R677 V678 S679 D754 Q829 | L676-R711 HydrophobicContact CD1-CB 3.94Å; R677-R711 PolarHBondContact O-N 3.19Å; V678-R711 CarbonylContact C-O 3.58Å; V678-R711 VanDerWaalsContact CA-O 3.28Å; V678-R711 WeakPolarHBondContact CA-O 3.29Å; V678-R711 HydrophobicContact CG1-CG 4.34Å; V678-R711 HydrophobicContact CG2-CB 4.31Å; S679-R711 PolarHBondContact N-O 3.37Å; R711-D754 VanDerWaalsContact CZ-O 3.28Å; R711-D754 PolarHBondContact NH1-O 2.89Å; R711-D754 VanDerWaalsContact NH2-CA 3.29Å; R711-D754 PolarHBondContact NH2-O 3.28Å; R711-D754 IonicContact NH2-OD1 2.69Å; R711-D754 PolarHBondContact NH2-OD1 2.95Å; R711-D754 VanDerWaalsContact NH2-OD1 3.1Å; R711-Q829 PolarHBondContact NH2-O 2.66Å |
| 712 | A | 96.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.033 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 145.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111 | V556 S679 I684 L756 | V556-A712 HydrophobicContact CG2-CB 3.81Å; S679-A712 CarbonylContact O-C 3.57Å; S679-A712 VanDerWaalsContact O-CA 3.22Å; S679-A712 WeakPolarHBondContact O-CA 3.45Å; I684-A712 HydrophobicContact CD1-CB 3.95Å; I684-A712 HydrophobicContact CG1-CB 4.18Å; A712-L756 HydrophobicContact CB-CD2 3.74Å |
| 713 | N | 95.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 157.4 | 178.7 | 60.7 | -104.9 | 0 | 0 | 0 | 111.8 | F63 S64 S679 K681 | F63-N713 HydrophobicContact CE1-CB 3.88Å; F63-N713 WeakPolarHBondContact CE1-ND2 2.97Å; S64-N713 WeakPolarHBondContact CB-OD1 3.24Å; S64-N713 VanDerWaalsContact OG-CG 3.25Å; S64-N713 PolarHBondContact OG-ND2 3.33Å; S64-N713 PolarHBondContact OG-OD1 3.05Å; S679-N713 PolarHBondContact O-N 3.09Å; S679-N713 PolarHBondContact O-OD1 2.97Å; S679-N713 VanDerWaalsContact O-OD1 3.13Å; K681-N713 PolarHBondContact N-O 3.26Å |
| 714 | G | 94.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 173.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113 | S755 L756 D757 | G714-S755 PolarHBondContact N-O 3.49Å; G714-S755 VanDerWaalsContact N-O 3.12Å; G714-L756 WeakPolarHBondContact CA-O 3.34Å; G714-D757 WeakPolarHBondContact CA-O 3.3Å |
| 715 | H | 93.3 | Very high | 92.4 | Very high | 91 Ų | 91 | 45.1 Ų | 45.1 | 42% | 0.421 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -72.5 | 149.6 | 177.8 | -61.2 | 109.6 | 0 | 0 | 0 | 110.7 | D682 D758 A759 | D682-H715 IonicContact OD1-NE2 2.89Å; H715-D758 PolarHBondContact N-OD1 3.28Å; H715-D758 IonicContact ND1-OD1 2.72Å; H715-D758 CarbonylContact O-C 3.56Å; H715-D758 WeakPolarHBondContact O-CA 3.25Å; H715-D758 WeakPolarHBondContact O-CB 3.46Å; H715-A759 PolarHBondContact O-N 3.49Å |
| 716 | L | 94.7 | Very high | 91 | Very high | 12 Ų | 12 | 48.6 Ų | 48.6 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 125.6 | 175.6 | -168.8 | 74 | 0 | 0 | 0 | 111.4 | L59 F63 M723 L749 A752 A759 V761 | L59-L716 VanDerWaalsContact C-CD2 3.5Å; L59-L716 HydrophobicContact CB-CD2 3.69Å; L59-L716 WeakPolarHBondContact O-CD2 3.47Å; F63-L716 HydrophobicContact CB-CB 4.21Å; F63-L716 HydrophobicContact CB-CD1 4.07Å; F63-L716 HydrophobicContact CB-CD2 3.89Å; F63-L716 HydrophobicContact CB-CG 4.28Å; F63-L716 HydrophobicContact CD1-CB 4.24Å; F63-L716 HydrophobicContact CD1-CD1 4.19Å; F63-L716 HydrophobicContact CD2-CD1 3.77Å; F63-L716 HydrophobicContact CE2-CD1 4.23Å; F63-L716 HydrophobicContact CG-CB 4.3Å; F63-L716 HydrophobicContact CG-CD1 3.75Å; F63-L716 HydrophobicContact CG-CD2 4.49Å; F63-L716 HydrophobicContact CG-CG 4.39Å; L716-M723 HydrophobicContact CB-CE 4.16Å; L716-M723 HydrophobicContact CD2-CE 4.27Å; L716-M723 WeakPolarHBondContact O-CE 3.42Å; L716-L749 HydrophobicContact CD2-CD2 4.25Å; L716-A752 HydrophobicContact CD1-CB 4.17Å; L716-A759 HydrophobicContact CD1-CB 4.1Å; L716-V761 HydrophobicContact CD1-CB 4.08Å; L716-V761 HydrophobicContact CD1-CG1 4.14Å; L716-V761 HydrophobicContact CD2-CB 4.37Å; L716-V761 HydrophobicContact CD2-CG1 3.7Å; L716-V761 HydrophobicContact CG-CG1 4.01Å |
| 717 | L | 94.4 | Very high | 89.8 | Confident | 41 Ų | 41 | 52 Ų | 52 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 144.9 | 164.3 | -53.5 | 178 | 0 | 0 | 0 | 109.5 | N721 K722 D758 A759 N760 V761 | L717-N721 WeakPolarHBondContact CA-O 3.38Å; L717-K722 HydrophobicContact CD2-CB 4.5Å; L717-D758 HydrophobicContact CD1-CB 4.33Å; L717-D758 HydrophobicContact CG-CB 4.28Å; L717-A759 PolarHBondContact N-O 2.94Å; L717-N760 HydrophobicContact CB-CB 4.4Å; L717-N760 PolarHBondContact O-OD1 3.45Å; L717-V761 WeakPolarHBondContact O-CG1 3.37Å; L717-V761 PolarHBondContact O-N 3.14Å |
| 718 | L | 92.5 | Very high | 88.8 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.1 | 170.5 | 177.1 | 63.8 | 0 | 0 | 0 | 107.8 | L59 S720 N721 M723 N729 L731 V761 E763 | L59-L718 HydrophobicContact CD1-CD1 4.32Å; L718-S720 PolarHBondContact O-N 3.33Å; L718-N721 PolarHBondContact N-O 3.41Å; L718-N721 PolarHBondContact O-N 3.42Å; L718-N721 VanDerWaalsContact O-O 3.06Å; L718-M723 HydrophobicContact CB-CG 3.57Å; L718-M723 HydrophobicContact CB-SD 4.27Å; L718-M723 HydrophobicContact CD2-CG 4.37Å; L718-N729 WeakPolarHBondContact CG-OD1 3.46Å; L718-N729 PolarHBondContact O-ND2 3.42Å; L718-N729 PolarHBondContact O-OD1 3.12Å; L718-L731 HydrophobicContact CD1-CD1 4.11Å; L718-L731 HydrophobicContact CD2-CB 4.36Å; L718-L731 HydrophobicContact CD2-CD1 4.07Å; L718-L731 HydrophobicContact CD2-CG 3.97Å; L718-V761 HydrophobicContact CB-CG1 4.48Å; L718-V761 HydrophobicContact CD1-CG1 3.74Å; L718-E763 HydrophobicContact CD1-CG 4.09Å |
| 719 | N | 90.3 | Very high | 88.2 | Confident | 52 Ų | 52 | 49.7 Ų | 49.7 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 46 | -178.2 | -58.1 | -42 | 0 | 0 | 0 | 112.4 | N721 N760 V761 E763 | N719-N721 PolarHBondContact O-N 3.09Å; N719-N721 PolarHBondContact O-ND2 2.75Å; N719-N721 VanDerWaalsContact O-ND2 3.11Å; N719-N760 PolarHBondContact N-OD1 3.01Å; N719-V761 PolarHBondContact N-O 3.12Å; N719-E763 PolarHBondContact ND2-OE1 3.35Å; N719-E763 PolarHBondContact OD1-N 3.06Å; N719-E763 VanDerWaalsContact OD1-N 3.14Å |
| 720 | S | 90.1 | Very high | 87.7 | Confident | 74 Ų | 74 | 50.6 Ų | 50.6 | 52% | 0.517 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 11.1 | -179.2 | -60.3 | 0 | 0 | 0 | 0 | 115.9 | L718 N760 | L718-S720 PolarHBondContact O-N 3.33Å; S720-N760 WeakPolarHBondContact CA-OD1 3.47Å; S720-N760 PolarHBondContact N-OD1 3.35Å; S720-N760 PolarHBondContact OG-ND2 3.49Å |
| 721 | N | 88.9 | Confident | 87.4 | Confident | 102 Ų | 102 | 51.5 Ų | 51.5 | 55% | 0.545 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 150.1 | 177.9 | -67.9 | -70.8 | 0 | 0 | 0 | 111 | L717 L718 N719 M723 N729 | L717-N721 WeakPolarHBondContact CA-O 3.38Å; L718-N721 PolarHBondContact N-O 3.41Å; L718-N721 PolarHBondContact O-N 3.42Å; L718-N721 VanDerWaalsContact O-O 3.06Å; N719-N721 PolarHBondContact O-N 3.09Å; N719-N721 PolarHBondContact O-ND2 2.75Å; N719-N721 VanDerWaalsContact O-ND2 3.11Å; N721-M723 PolarHBondContact O-N 2.93Å; N721-N729 WeakPolarHBondContact CB-ND2 3.47Å; N721-N729 PolarHBondContact O-ND2 3.25Å; N721-N729 VanDerWaalsContact O-ND2 3.17Å |
| 722 | K | 86.6 | Confident | 87.2 | Confident | 176 Ų | 176 | 51.2 Ų | 51.2 | 77% | 0.765 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 135.3 | 171.4 | -173.5 | 173 | -178.5 | 174.1 | 0 | 109 | L717 S724 N729 | L717-K722 HydrophobicContact CD2-CB 4.5Å; K722-S724 PolarHBondContact O-N 2.68Å; K722-N729 PolarHBondContact O-ND2 2.96Å |
| 723 | M | 85.2 | Confident | 87.1 | Confident | 31 Ų | 31 | 51 Ų | 51 | 15% | 0.153 | 29% | 0.286 | C | S | . | . | trans | -64.5 | 129.4 | 177.9 | -75.8 | -178.7 | -67.7 | 0 | 0 | 110.5 | L59 L716 L718 N721 N729 F730 | L59-M723 HydrophobicContact CB-SD 4.11Å; L716-M723 HydrophobicContact CB-CE 4.16Å; L716-M723 HydrophobicContact CD2-CE 4.27Å; L716-M723 WeakPolarHBondContact O-CE 3.42Å; L718-M723 HydrophobicContact CB-CG 3.57Å; L718-M723 HydrophobicContact CB-SD 4.27Å; L718-M723 HydrophobicContact CD2-CG 4.37Å; N721-M723 PolarHBondContact O-N 2.93Å; M723-N729 CarbonylContact C-O 3.49Å; M723-N729 WeakPolarHBondContact CA-O 3.32Å; M723-F730 HydrophobicContact CB-CD2 4.13Å | ||
| 724 | S | 81.2 | Confident | 87.1 | Confident | 38 Ų | 38 | 51.4 Ų | 51.4 | 27% | 0.266 | 29% | 0.29 | S | S | . | . | B | Isolated β-bridge | trans | -155.7 | 121.4 | 179.9 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | K722 S726 T727 G728 N729 | K722-S724 PolarHBondContact O-N 2.68Å; S724-S726 VanDerWaalsContact C-N 3.31Å; S724-S726 PolarHBondContact O-N 3.49Å; S724-S726 PolarHBondContact OG-OG 3.17Å; S724-T727 PolarHBondContact O-N 2.75Å; S724-T727 VanDerWaalsContact O-N 3.13Å; S724-T727 PolarHBondContact O-OG1 3.07Å; S724-G728 PolarHBondContact O-N 2.95Å; S724-N729 PolarHBondContact N-O 2.89Å; S724-N729 PolarHBondContact O-N 2.85Å |
| 725 | K | 72.1 | Confident | 87 | Confident | 120 Ų | 120 | 54.5 Ų | 54.5 | 52% | 0.522 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -55.9 | -43.7 | 177.8 | -66.2 | -177.6 | 179.4 | -178.2 | 0 | 112.1 | L158 T727 G728 F730 | L158-K725 VanDerWaalsContact CD2-NZ 3.33Å; K725-T727 PolarHBondContact O-N 2.96Å; K725-T727 VanDerWaalsContact O-N 3.16Å; K725-G728 PolarHBondContact O-N 3.35Å; K725-F730 HydrophobicContact CD-CE1 4.48Å; K725-F730 HydrophobicContact CG-CB 4.12Å; K725-F730 HydrophobicContact CG-CD1 3.8Å; K725-F730 HydrophobicContact CG-CD2 3.89Å; K725-F730 HydrophobicContact CG-CE1 4.14Å; K725-F730 HydrophobicContact CG-CE2 4.23Å; K725-F730 HydrophobicContact CG-CG 3.67Å; K725-F730 HydrophobicContact CG-CZ 4.33Å |
| 726 | S | 67.6 | Low | 87.1 | Confident | 76 Ų | 76 | 50.2 Ų | 50.2 | 53% | 0.531 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -60.5 | -25.2 | 179.8 | 62.2 | 0 | 0 | 0 | 0 | 114.3 | S724 | S724-S726 VanDerWaalsContact C-N 3.31Å; S724-S726 PolarHBondContact O-N 3.49Å; S724-S726 PolarHBondContact OG-OG 3.17Å |
| 727 | T | 72.5 | Confident | 87.1 | Confident | 85 Ų | 85 | 50.1 Ų | 50.1 | 52% | 0.521 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -92.8 | -6.9 | 178.4 | 65.1 | 0 | 0 | 0 | 0 | 113.3 | S724 K725 N729 | S724-T727 PolarHBondContact O-N 2.75Å; S724-T727 VanDerWaalsContact O-N 3.13Å; S724-T727 PolarHBondContact O-OG1 3.07Å; K725-T727 PolarHBondContact O-N 2.96Å; K725-T727 VanDerWaalsContact O-N 3.16Å; T727-N729 PolarHBondContact O-N 3.39Å; T727-N729 WeakPolarHBondContact OG1-CB 3.33Å; T727-N729 PolarHBondContact OG1-N 2.76Å |
| 728 | G | 77.2 | Confident | 87.1 | Confident | 63 Ų | 63 | 53.4 Ų | 53.4 | 65% | 0.649 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | -7.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S724 K725 F730 | S724-G728 PolarHBondContact O-N 2.95Å; K725-G728 PolarHBondContact O-N 3.35Å; G728-F730 PolarHBondContact O-N 2.89Å |
| 729 | N | 85.6 | Confident | 87.2 | Confident | 24 Ų | 24 | 57.4 Ų | 57.4 | 13% | 0.128 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -82.6 | 65.6 | 176.3 | -169.2 | 53.9 | 0 | 0 | 0 | 110.7 | L718 N721 K722 M723 S724 T727 | L718-N729 WeakPolarHBondContact CG-OD1 3.46Å; L718-N729 PolarHBondContact O-ND2 3.42Å; L718-N729 PolarHBondContact O-OD1 3.12Å; N721-N729 WeakPolarHBondContact CB-ND2 3.47Å; N721-N729 PolarHBondContact O-ND2 3.25Å; N721-N729 VanDerWaalsContact O-ND2 3.17Å; K722-N729 PolarHBondContact O-ND2 2.96Å; M723-N729 CarbonylContact C-O 3.49Å; M723-N729 WeakPolarHBondContact CA-O 3.32Å; S724-N729 PolarHBondContact N-O 2.89Å; S724-N729 PolarHBondContact O-N 2.85Å; T727-N729 PolarHBondContact O-N 3.39Å; T727-N729 WeakPolarHBondContact OG1-CB 3.33Å; T727-N729 PolarHBondContact OG1-N 2.76Å |
| 730 | F | 88.2 | Confident | 87.4 | Confident | 45 Ų | 45 | 55.5 Ų | 55.5 | 20% | 0.197 | 31% | 0.307 | C | S | . | . | trans | -148.8 | 136 | -179.7 | -172 | -90.4 | 0 | 0 | 0 | 109.8 | H58 M723 K725 G728 T732 | H58-F730 HydrophobicContact CB-CE1 4.1Å; H58-F730 HydrophobicContact CB-CE2 3.94Å; H58-F730 HydrophobicContact CB-CZ 3.47Å; H58-F730 VanDerWaalsContact CB-CZ 3.47Å; H58-F730 AromaticContact CD2-CE2 3.83Å; H58-F730 AromaticContact CD2-CZ 3.73Å; H58-F730 AromaticContact CG-CZ 3.89Å; M723-F730 HydrophobicContact CB-CD2 4.13Å; K725-F730 HydrophobicContact CD-CE1 4.48Å; K725-F730 HydrophobicContact CG-CB 4.12Å; K725-F730 HydrophobicContact CG-CD1 3.8Å; K725-F730 HydrophobicContact CG-CD2 3.89Å; K725-F730 HydrophobicContact CG-CE1 4.14Å; K725-F730 HydrophobicContact CG-CE2 4.23Å; K725-F730 HydrophobicContact CG-CG 3.67Å; K725-F730 HydrophobicContact CG-CZ 4.33Å; G728-F730 PolarHBondContact O-N 2.89Å; F730-T732 HydrophobicContact CE1-CG2 3.88Å | ||
| 731 | L | 90.7 | Very high | 87.6 | Confident | 18 Ų | 18 | 52 Ų | 52 | 9% | 0.094 | 28% | 0.283 | C | S | . | . | trans | -131.5 | 125.8 | 173.7 | -74.1 | 173.1 | 0 | 0 | 0 | 108.9 | H58 L59 L718 D735 Y740 E763 | H58-L731 WeakPolarHBondContact CA-O 3.33Å; H58-L731 WeakPolarHBondContact CB-O 3.22Å; L59-L731 HydrophobicContact CD1-CB 3.78Å; L59-L731 HydrophobicContact CD1-CD1 3.88Å; L59-L731 HydrophobicContact CD1-CG 4.47Å; L59-L731 HydrophobicContact CG-CB 4.1Å; L59-L731 PolarHBondContact N-O 3.47Å; L718-L731 HydrophobicContact CD1-CD1 4.11Å; L718-L731 HydrophobicContact CD2-CB 4.36Å; L718-L731 HydrophobicContact CD2-CD1 4.07Å; L718-L731 HydrophobicContact CD2-CG 3.97Å; L731-D735 HydrophobicContact CD2-CB 4.07Å; L731-Y740 HydrophobicContact CD1-CE2 4.37Å; L731-E763 HydrophobicContact CD1-CG 4.07Å | ||
| 732 | T | 93.7 | Very high | 88 | Confident | 17 Ų | 17 | 47.1 Ų | 47.1 | 10% | 0.104 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -69.2 | 162.3 | 164.5 | 69.9 | 0 | 0 | 0 | 0 | 109.6 | R56 L57 F730 A734 D735 A736 | R56-T732 HydrophobicContact CB-CG2 4.32Å; L57-T732 CarbonylContact O-C 3.56Å; L57-T732 VanDerWaalsContact O-CA 3.31Å; L57-T732 WeakPolarHBondContact O-CA 3.36Å; L57-T732 WeakPolarHBondContact O-CB 3.46Å; F730-T732 HydrophobicContact CE1-CG2 3.88Å; T732-A734 VanDerWaalsContact C-N 3.26Å; T732-A734 PolarHBondContact O-N 3.5Å; T732-D735 WeakPolarHBondContact CB-OD2 3.32Å; T732-D735 WeakPolarHBondContact CG2-OD2 3.44Å; T732-D735 PolarHBondContact N-OD2 3.41Å; T732-D735 VanDerWaalsContact N-OD2 3.14Å; T732-D735 PolarHBondContact O-N 2.94Å; T732-D735 PolarHBondContact OG1-N 3.39Å; T732-D735 PolarHBondContact OG1-OD1 2.69Å; T732-D735 PolarHBondContact OG1-OD2 3.33Å; T732-A736 WeakPolarHBondContact O-CB 3.44Å; T732-A736 PolarHBondContact O-N 3.06Å |
| 733 | L | 95.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.7 | -45.8 | 171.6 | 169.6 | 55.7 | 0 | 0 | 0 | 110.5 | L57 T62 D185 L186 L189 D735 A736 V737 | L57-L733 HydrophobicContact CB-CB 4.23Å; L57-L733 HydrophobicContact CD1-CD2 4.49Å; L57-L733 PolarHBondContact O-N 3.45Å; T62-L733 HydrophobicContact CG2-CD1 3.74Å; D185-L733 HydrophobicContact CB-CD2 4.01Å; D185-L733 HydrophobicContact CB-CG 4.26Å; L186-L733 HydrophobicContact CD2-CD2 3.77Å; L186-L733 HydrophobicContact CG-CD2 4.2Å; L189-L733 HydrophobicContact CB-CD1 4.24Å; L189-L733 HydrophobicContact CD1-CD1 4.26Å; L189-L733 HydrophobicContact CD2-CD1 3.94Å; L189-L733 HydrophobicContact CD2-CD2 4.42Å; L189-L733 HydrophobicContact CG-CD1 4.38Å; L733-D735 PolarHBondContact O-N 2.95Å; L733-A736 PolarHBondContact O-N 3.31Å; L733-V737 HydrophobicContact CD1-CG2 3.79Å; L733-V737 WeakPolarHBondContact O-CG2 3.41Å; L733-V737 PolarHBondContact O-N 2.9Å |
| 734 | A | 94 | Very high | 89 | Confident | 11 Ų | 11 | 37.3 Ų | 37.3 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.3 | -49 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T732 A736 V737 E738 | T732-A734 VanDerWaalsContact C-N 3.26Å; T732-A734 PolarHBondContact O-N 3.5Å; A734-A736 VanDerWaalsContact C-N 3.29Å; A734-A736 PolarHBondContact O-N 3.4Å; A734-V737 PolarHBondContact O-N 3.31Å; A734-E738 VanDerWaalsContact O-CB 3.31Å; A734-E738 WeakPolarHBondContact O-CB 3.39Å; A734-E738 PolarHBondContact O-N 2.89Å |
| 735 | D | 93.4 | Very high | 89.7 | Confident | 66 Ų | 66 | 35.7 Ų | 35.7 | 35% | 0.353 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.8 | -40 | 179.8 | -54.9 | -35.6 | 0 | 0 | 0 | 111.2 | L731 T732 L733 E738 K739 | L731-D735 HydrophobicContact CD2-CB 4.07Å; T732-D735 WeakPolarHBondContact CB-OD2 3.32Å; T732-D735 WeakPolarHBondContact CG2-OD2 3.44Å; T732-D735 PolarHBondContact N-OD2 3.41Å; T732-D735 VanDerWaalsContact N-OD2 3.14Å; T732-D735 PolarHBondContact O-N 2.94Å; T732-D735 PolarHBondContact OG1-N 3.39Å; T732-D735 PolarHBondContact OG1-OD1 2.69Å; T732-D735 PolarHBondContact OG1-OD2 3.33Å; L733-D735 PolarHBondContact O-N 2.95Å; D735-E738 PolarHBondContact O-N 3.24Å; D735-K739 WeakPolarHBondContact O-CB 3.33Å; D735-K739 PolarHBondContact O-N 3.34Å |
| 736 | A | 95 | Very high | 90.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.1 | -46.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L59 T732 L733 A734 K739 Y740 V745 | L59-A736 HydrophobicContact CD1-CB 4.24Å; L59-A736 HydrophobicContact CD2-CB 3.59Å; L59-A736 HydrophobicContact CG-CB 4.09Å; T732-A736 WeakPolarHBondContact O-CB 3.44Å; T732-A736 PolarHBondContact O-N 3.06Å; L733-A736 PolarHBondContact O-N 3.31Å; A734-A736 VanDerWaalsContact C-N 3.29Å; A734-A736 PolarHBondContact O-N 3.4Å; A736-K739 PolarHBondContact O-N 2.91Å; A736-Y740 WeakPolarHBondContact O-CB 3.48Å; A736-Y740 PolarHBondContact O-N 2.92Å; A736-V745 VanDerWaalsContact C-CG2 3.47Å; A736-V745 HydrophobicContact CB-CG2 3.8Å; A736-V745 VanDerWaalsContact O-CG2 3.31Å; A736-V745 WeakPolarHBondContact O-CG2 3.27Å |
| 737 | V | 95.2 | Very high | 92.1 | Very high | 10 Ų | 10 | 26.4 Ų | 26.4 | 6% | 0.061 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.7 | -41.8 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | L189 L733 A734 K739 S741 A742 | L189-V737 HydrophobicContact CB-CG2 4.42Å; L189-V737 HydrophobicContact CD1-CG2 3.97Å; L733-V737 HydrophobicContact CD1-CG2 3.79Å; L733-V737 WeakPolarHBondContact O-CG2 3.41Å; L733-V737 PolarHBondContact O-N 2.9Å; A734-V737 PolarHBondContact O-N 3.31Å; V737-K739 VanDerWaalsContact C-N 3.3Å; V737-K739 PolarHBondContact O-N 2.98Å; V737-S741 WeakPolarHBondContact O-CA 3.38Å; V737-S741 PolarHBondContact O-N 3.43Å; V737-A742 HydrophobicContact CG1-CB 4.3Å |
| 738 | E | 93.6 | Very high | 93.3 | Very high | 110 Ų | 110 | 22.5 Ų | 22.5 | 51% | 0.514 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -61.6 | -39.6 | 176.5 | 177.4 | 164.1 | -148.8 | 0 | 0 | 112.2 | L9 A734 D735 | L9-E738 WeakPolarHBondContact CD2-O 3.41Å; A734-E738 VanDerWaalsContact O-CB 3.31Å; A734-E738 WeakPolarHBondContact O-CB 3.39Å; A734-E738 PolarHBondContact O-N 2.89Å; D735-E738 PolarHBondContact O-N 3.24Å |
| 739 | K | 93.7 | Very high | 94.2 | Very high | 87 Ų | 87 | 19.5 Ų | 19.5 | 38% | 0.378 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -80.9 | -36.8 | -175.8 | -166.2 | 172 | 180 | -171.1 | 0 | 113.4 | R3 L9 D735 A736 V737 E763 | R3-K739 PolarHBondContact NH1-O 3.31Å; R3-K739 VanDerWaalsContact NH1-O 3.12Å; R3-K739 PolarHBondContact NH2-O 3.43Å; L9-K739 WeakPolarHBondContact CD2-O 3.49Å; D735-K739 WeakPolarHBondContact O-CB 3.33Å; D735-K739 PolarHBondContact O-N 3.34Å; A736-K739 PolarHBondContact O-N 2.91Å; V737-K739 VanDerWaalsContact C-N 3.3Å; V737-K739 PolarHBondContact O-N 2.98Å; K739-E763 IonicContact NZ-OE2 3.57Å; K739-E763 PolarHBondContact NZ-OE2 3.45Å |
| 740 | Y | 94.9 | Very high | 94.7 | Very high | 11 Ų | 11 | 18.4 Ų | 18.4 | 4% | 0.043 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -125.2 | 3.8 | -168.3 | -56.4 | -62.4 | 0 | 0 | 0 | 115.3 | L731 A736 G744 E763 A766 E767 | L731-Y740 HydrophobicContact CD1-CE2 4.37Å; A736-Y740 WeakPolarHBondContact O-CB 3.48Å; A736-Y740 PolarHBondContact O-N 2.92Å; Y740-G744 WeakPolarHBondContact O-CA 3.39Å; Y740-E763 HydrophobicContact CE2-CB 4.34Å; Y740-E763 HydrophobicContact CE2-CG 3.99Å; Y740-E763 VanDerWaalsContact OH-CB 3.27Å; Y740-E763 WeakPolarHBondContact OH-CB 3.23Å; Y740-E763 VanDerWaalsContact OH-CD 3.28Å; Y740-E763 WeakPolarHBondContact OH-CG 3.43Å; Y740-E763 PolarHBondContact OH-OE2 2.85Å; Y740-A766 HydrophobicContact CD1-CB 3.87Å; Y740-A766 HydrophobicContact CD2-CB 3.85Å; Y740-A766 HydrophobicContact CE1-CB 4.44Å; Y740-A766 HydrophobicContact CE2-CB 4.39Å; Y740-A766 HydrophobicContact CG-CB 3.56Å; Y740-E767 HydrophobicContact CD1-CB 4.3Å; Y740-E767 HydrophobicContact CE1-CB 4.15Å |
| 741 | S | 95.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.007 | 9% | 0.092 | C | C | . | . | trans | 66.2 | 159.4 | -171.1 | 116.5 | 0 | 0 | 0 | 0 | 113.1 | E16 V737 G744 V745 | E16-S741 WeakPolarHBondContact OE1-CB 3.47Å; E16-S741 PolarHBondContact OE1-OG 3.03Å; V737-S741 WeakPolarHBondContact O-CA 3.38Å; V737-S741 PolarHBondContact O-N 3.43Å; S741-G744 PolarHBondContact O-N 3.41Å; S741-G744 PolarHBondContact OG-N 2.94Å; S741-V745 VanDerWaalsContact O-CG2 3.29Å; S741-V745 WeakPolarHBondContact O-CG2 3.42Å; S741-V745 PolarHBondContact O-N 3.07Å | ||
| 742 | A | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.9 | -47.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E16 L189 V737 V745 R746 H879 | E16-A742 HydrophobicContact CG-CB 4.39Å; E16-A742 PolarHBondContact OE1-N 2.81Å; L189-A742 HydrophobicContact CD1-CB 4.18Å; V737-A742 HydrophobicContact CG1-CB 4.3Å; A742-V745 PolarHBondContact O-N 3.42Å; A742-R746 WeakPolarHBondContact O-CG 3.41Å; A742-R746 PolarHBondContact O-N 2.89Å; A742-H879 VanDerWaalsContact CB-CE1 3.42Å; A742-H879 WeakPolarHBondContact CB-CE1 3.39Å |
| 743 | D | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -72.7 | -31.9 | -179.6 | -72 | -4.5 | 0 | 0 | 0 | 112.2 | R746 L747 L773 C877 S878 H879 V880 | D743-R746 PolarHBondContact O-N 3.1Å; D743-R746 IonicContact OD1-NH1 3.35Å; D743-R746 PolarHBondContact OD1-NH1 3.46Å; D743-L747 WeakPolarHBondContact O-CG 3.29Å; D743-L747 PolarHBondContact O-N 3.43Å; D743-L773 HydrophobicContact CB-CD1 3.55Å; D743-C877 HydrophobicContact CB-CB 4.24Å; D743-C877 VanDerWaalsContact OD2-C 3.25Å; D743-S878 PolarHBondContact OD1-N 3.42Å; D743-H879 IonicContact OD1-CE1 2.8Å; D743-H879 IonicContact OD1-CG 3.4Å; D743-H879 PolarHBondContact OD1-N 3.03Å; D743-H879 IonicContact OD1-ND1 3.82Å; D743-H879 PolarHBondContact OD1-ND1 2.85Å; D743-H879 WeakPolarHBondContact OD2-CA 3.5Å; D743-H879 WeakPolarHBondContact OD2-CB 3.45Å; D743-H879 PolarHBondContact OD2-N 3.46Å; D743-H879 IonicContact OD2-ND1 3.69Å; D743-V880 PolarHBondContact OD2-N 3.48Å |
| 744 | G | 95.3 | Very high | 95 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.1 | -39.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y740 S741 A748 | Y740-G744 WeakPolarHBondContact O-CA 3.39Å; S741-G744 PolarHBondContact O-N 3.41Å; S741-G744 PolarHBondContact OG-N 2.94Å; G744-A748 PolarHBondContact O-N 3.24Å |
| 745 | V | 96.1 | Very high | 95 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 3% | 0.03 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.1 | -47.1 | 171.5 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | L59 A736 S741 A742 L747 A748 L749 | L59-V745 HydrophobicContact CD2-CG1 4.04Å; A736-V745 VanDerWaalsContact C-CG2 3.47Å; A736-V745 HydrophobicContact CB-CG2 3.8Å; A736-V745 VanDerWaalsContact O-CG2 3.31Å; A736-V745 WeakPolarHBondContact O-CG2 3.27Å; S741-V745 VanDerWaalsContact O-CG2 3.29Å; S741-V745 WeakPolarHBondContact O-CG2 3.42Å; S741-V745 PolarHBondContact O-N 3.07Å; A742-V745 PolarHBondContact O-N 3.42Å; V745-L747 VanDerWaalsContact C-N 3.33Å; V745-L747 PolarHBondContact O-N 2.97Å; V745-A748 PolarHBondContact O-N 3.06Å; V745-A748 VanDerWaalsContact O-N 3.14Å; V745-L749 HydrophobicContact CG1-CD1 3.78Å; V745-L749 HydrophobicContact CG1-CG 4.18Å; V745-L749 WeakPolarHBondContact O-CG 3.5Å; V745-L749 PolarHBondContact O-N 3.03Å |
| 746 | R | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.2 | -41.6 | 179 | -73.9 | 178 | 177.4 | 141.6 | -15.6 | 112.9 | E69 F70 L189 G190 A742 D743 A748 L749 A750 I876 H879 | E69-R746 VanDerWaalsContact CD-NE 3.26Å; E69-R746 IonicContact OE1-CZ 3.78Å; E69-R746 IonicContact OE1-NE 3.64Å; E69-R746 PolarHBondContact OE1-NE 3.22Å; E69-R746 IonicContact OE1-NH2 3.76Å; E69-R746 PolarHBondContact OE1-NH2 3.37Å; E69-R746 IonicContact OE2-CZ 2.7Å; E69-R746 VanDerWaalsContact OE2-CZ 3.27Å; E69-R746 IonicContact OE2-NE 2.67Å; E69-R746 PolarHBondContact OE2-NE 3.11Å; E69-R746 VanDerWaalsContact OE2-NE 3.12Å; E69-R746 IonicContact OE2-NH2 3.69Å; E69-R746 PolarHBondContact OE2-NH2 3.39Å; F70-R746 HydrophobicContact CE1-CB 4.02Å; F70-R746 HydrophobicContact CE1-CG 4Å; F70-R746 HydrophobicContact CZ-CB 4.01Å; F70-R746 HydrophobicContact CZ-CG 4.28Å; L189-R746 HydrophobicContact CD1-CG 4.3Å; L189-R746 PolarHBondContact O-NH1 2.88Å; L189-R746 PolarHBondContact O-NH2 3.34Å; G190-R746 VanDerWaalsContact C-NH2 3.29Å; G190-R746 PolarHBondContact O-NH2 3.29Å; A742-R746 WeakPolarHBondContact O-CG 3.41Å; A742-R746 PolarHBondContact O-N 2.89Å; D743-R746 PolarHBondContact O-N 3.1Å; D743-R746 IonicContact OD1-NH1 3.35Å; D743-R746 PolarHBondContact OD1-NH1 3.46Å; R746-A748 VanDerWaalsContact C-N 3.34Å; R746-A748 PolarHBondContact O-N 3.23Å; R746-L749 PolarHBondContact O-N 2.85Å; R746-A750 WeakPolarHBondContact O-CB 3.4Å; R746-A750 PolarHBondContact O-N 3.43Å; R746-I876 HydrophobicContact CB-CG2 4.41Å; R746-I876 VanDerWaalsContact CB-O 3.31Å; R746-I876 WeakPolarHBondContact CB-O 3.44Å; R746-I876 WeakPolarHBondContact CD-O 3.33Å; R746-H879 PolarHBondContact NH1-CE1 2.84Å; R746-H879 PolarHBondContact NH1-ND1 3.23Å; R746-H879 VanDerWaalsContact NH1-ND1 3.11Å |
| 747 | L | 95.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.3 | -47.3 | 173.8 | -80.9 | 178.4 | 0 | 0 | 0 | 112 | D743 V745 L749 A750 D751 G769 L773 L835 I876 C877 | D743-L747 WeakPolarHBondContact O-CG 3.29Å; D743-L747 PolarHBondContact O-N 3.43Å; V745-L747 VanDerWaalsContact C-N 3.33Å; V745-L747 PolarHBondContact O-N 2.97Å; L747-L749 VanDerWaalsContact C-N 3.32Å; L747-L749 PolarHBondContact O-N 2.93Å; L747-A750 PolarHBondContact O-N 2.81Å; L747-D751 PolarHBondContact O-N 3.38Å; L747-G769 VanDerWaalsContact CD1-CA 3.48Å; L747-L773 HydrophobicContact CD1-CD1 3.44Å; L747-L773 VanDerWaalsContact CD1-CD1 3.44Å; L747-L773 HydrophobicContact CD1-CD2 4.17Å; L747-L773 HydrophobicContact CD1-CG 3.58Å; L747-L773 HydrophobicContact CG-CD1 4.25Å; L747-L835 HydrophobicContact CD2-CD1 3.19Å; L747-L835 HydrophobicContact CD2-CD2 3.98Å; L747-L835 HydrophobicContact CD2-CG 4.23Å; L747-I876 HydrophobicContact CD2-CG2 4.43Å; L747-C877 VanDerWaalsContact CD2-SG 3.5Å |
| 748 | A | 96.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 28 Ų | 28 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.5 | -34.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G744 V745 R746 A752 V761 A766 | G744-A748 PolarHBondContact O-N 3.24Å; V745-A748 PolarHBondContact O-N 3.06Å; V745-A748 VanDerWaalsContact O-N 3.14Å; R746-A748 VanDerWaalsContact C-N 3.34Å; R746-A748 PolarHBondContact O-N 3.23Å; A748-A752 WeakPolarHBondContact O-CB 3.47Å; A748-A752 PolarHBondContact O-N 2.87Å; A748-V761 HydrophobicContact CB-CG2 3.67Å; A748-A766 HydrophobicContact CB-CB 3.75Å |
| 749 | L | 96.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -73.7 | -32.6 | 175.7 | -65.7 | 175.6 | 0 | 0 | 0 | 113.2 | T62 F63 K67 L716 V745 R746 L747 V761 | T62-L749 HydrophobicContact CG2-CD1 3.49Å; T62-L749 VanDerWaalsContact CG2-CD1 3.49Å; F63-L749 HydrophobicContact CB-CD2 3.99Å; F63-L749 HydrophobicContact CD2-CD2 4.14Å; K67-L749 PolarHBondContact NZ-O 3.27Å; L716-L749 HydrophobicContact CD2-CD2 4.25Å; V745-L749 HydrophobicContact CG1-CD1 3.78Å; V745-L749 HydrophobicContact CG1-CG 4.18Å; V745-L749 WeakPolarHBondContact O-CG 3.5Å; V745-L749 PolarHBondContact O-N 3.03Å; R746-L749 PolarHBondContact O-N 2.85Å; L747-L749 VanDerWaalsContact C-N 3.32Å; L747-L749 PolarHBondContact O-N 2.93Å; L749-V761 HydrophobicContact CD2-CG2 4.46Å |
| 750 | A | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.3 | -43.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | F70 R746 L747 A752 R832 I876 | F70-A750 HydrophobicContact CE2-CB 4Å; F70-A750 HydrophobicContact CZ-CB 4.4Å; R746-A750 WeakPolarHBondContact O-CB 3.4Å; R746-A750 PolarHBondContact O-N 3.43Å; L747-A750 PolarHBondContact O-N 2.81Å; A750-A752 PolarHBondContact O-N 3.32Å; A750-R832 WeakPolarHBondContact O-CA 3.2Å; A750-R832 WeakPolarHBondContact O-CB 3.49Å; A750-R832 PolarHBondContact O-N 2.96Å; A750-I876 HydrophobicContact CB-CD1 4.23Å; A750-I876 HydrophobicContact CB-CG2 4.08Å |
| 751 | D | 95.9 | Very high | 94.7 | Very high | 41 Ų | 41 | 20.4 Ų | 20.4 | 22% | 0.219 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -71.4 | -26.5 | 178.8 | -176.4 | 62.3 | 0 | 0 | 0 | 114.2 | L747 G753 M765 R832 L835 | L747-D751 PolarHBondContact O-N 3.38Å; D751-G753 PolarHBondContact O-N 3.08Å; D751-G753 VanDerWaalsContact O-N 3.08Å; D751-M765 HydrophobicContact CB-CE 3.86Å; D751-M765 HydrophobicContact CB-CG 4.28Å; D751-R832 VanDerWaalsContact O-CD 3.23Å; D751-R832 WeakPolarHBondContact O-CD 3.38Å; D751-R832 PolarHBondContact O-NE 3.16Å; D751-R832 IonicContact OD1-NE 2.83Å; D751-R832 PolarHBondContact OD1-NE 2.86Å; D751-L835 HydrophobicContact CB-CD2 4.12Å |
| 752 | A | 94.6 | Very high | 94.5 | Very high | 12 Ų | 12 | 25.4 Ų | 25.4 | 10% | 0.099 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F63 L716 A748 A750 A759 N760 V761 | F63-A752 HydrophobicContact CD2-CB 4.44Å; F63-A752 HydrophobicContact CE2-CB 4.03Å; L716-A752 HydrophobicContact CD1-CB 4.17Å; A748-A752 WeakPolarHBondContact O-CB 3.47Å; A748-A752 PolarHBondContact O-N 2.87Å; A750-A752 PolarHBondContact O-N 3.32Å; A752-A759 HydrophobicContact CB-CB 4.24Å; A752-A759 WeakPolarHBondContact O-CB 3.42Å; A752-N760 WeakPolarHBondContact CA-O 3.15Å; A752-N760 PolarHBondContact O-N 3.43Å; A752-N760 VanDerWaalsContact O-N 3.12Å; A752-V761 HydrophobicContact CB-CB 4.34Å |
| 753 | G | 91.8 | Very high | 94.3 | Very high | 14 Ų | 14 | 27.5 Ų | 27.5 | 14% | 0.144 | 15% | 0.151 | C | C | . | . | trans | 133.1 | 164.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | F63 K67 D751 | F63-G753 WeakPolarHBondContact CE2-O 3.26Å; F63-G753 VanDerWaalsContact CZ-O 3.25Å; F63-G753 WeakPolarHBondContact CZ-O 3.48Å; K67-G753 PolarHBondContact NZ-O 3.47Å; D751-G753 PolarHBondContact O-N 3.08Å; D751-G753 VanDerWaalsContact O-N 3.08Å | ||
| 754 | D | 92.7 | Very high | 94 | Very high | 22 Ų | 22 | 34.2 Ų | 34.2 | 12% | 0.118 | 18% | 0.183 | C | C | . | . | trans | -135.8 | -1.3 | -172 | -73.3 | -53 | 0 | 0 | 0 | 114.5 | K67 R711 Y831 R832 | K67-D754 IonicContact NZ-OD1 3.5Å; K67-D754 PolarHBondContact NZ-OD1 3.25Å; R711-D754 VanDerWaalsContact CZ-O 3.28Å; R711-D754 PolarHBondContact NH1-O 2.89Å; R711-D754 VanDerWaalsContact NH2-CA 3.29Å; R711-D754 PolarHBondContact NH2-O 3.28Å; R711-D754 IonicContact NH2-OD1 2.69Å; R711-D754 PolarHBondContact NH2-OD1 2.95Å; R711-D754 VanDerWaalsContact NH2-OD1 3.1Å; D754-Y831 WeakPolarHBondContact OD1-CD2 3.31Å; D754-Y831 PolarHBondContact OD2-N 3.49Å; D754-R832 PolarHBondContact OD2-N 3.25Å | ||
| 755 | S | 92.2 | Very high | 93.8 | Very high | 59 Ų | 59 | 35.9 Ų | 35.9 | 41% | 0.413 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -91.3 | -175.9 | -179.5 | 72.1 | 0 | 0 | 0 | 0 | 112.6 | G714 D757 | G714-S755 PolarHBondContact N-O 3.49Å; G714-S755 VanDerWaalsContact N-O 3.12Å; S755-D757 WeakPolarHBondContact OG-CB 3.48Å; S755-D757 PolarHBondContact OG-N 2.85Å; S755-D757 VanDerWaalsContact OG-N 3.16Å; S755-D757 PolarHBondContact OG-OD2 3.31Å |
| 756 | L | 92.2 | Very high | 93.6 | Very high | 31 Ų | 31 | 35.8 Ų | 35.8 | 16% | 0.162 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -75.7 | -9.8 | 169.2 | -75.2 | 171 | 0 | 0 | 0 | 113.5 | E555 V556 K681 I684 A712 G714 | E555-L756 HydrophobicContact CB-CD1 3.19Å; E555-L756 HydrophobicContact CG-CD1 3.99Å; V556-L756 HydrophobicContact CG2-CD1 3.92Å; V556-L756 HydrophobicContact CG2-CD2 4.1Å; V556-L756 HydrophobicContact CG2-CG 4.32Å; K681-L756 HydrophobicContact CB-CD2 3.63Å; K681-L756 WeakPolarHBondContact CD-O 3.35Å; K681-L756 PolarHBondContact NZ-O 3.5Å; I684-L756 HydrophobicContact CD1-CD2 4.18Å; A712-L756 HydrophobicContact CB-CD2 3.74Å; G714-L756 WeakPolarHBondContact CA-O 3.34Å |
| 757 | D | 93.3 | Very high | 93.4 | Very high | 118 Ų | 118 | 38.3 Ų | 38.3 | 63% | 0.631 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -69 | 150.9 | 171.3 | -53.7 | -54.4 | 0 | 0 | 0 | 109.5 | G714 S755 A759 | G714-D757 WeakPolarHBondContact CA-O 3.3Å; S755-D757 WeakPolarHBondContact OG-CB 3.48Å; S755-D757 PolarHBondContact OG-N 2.85Å; S755-D757 VanDerWaalsContact OG-N 3.16Å; S755-D757 PolarHBondContact OG-OD2 3.31Å; D757-A759 PolarHBondContact O-N 3.35Å |
| 758 | D | 93.2 | Very high | 93.2 | Very high | 74 Ų | 74 | 39.7 Ų | 39.7 | 40% | 0.396 | 21% | 0.214 | S | C | . | . | P | Polyproline II helix | trans | -63.4 | 123.8 | 179.1 | -71.7 | -4.5 | 0 | 0 | 0 | 109.8 | K681 H715 L717 | K681-D758 VanDerWaalsContact CE-OD1 3.3Å; K681-D758 WeakPolarHBondContact CE-OD1 3.31Å; K681-D758 IonicContact NZ-OD1 2.84Å; K681-D758 PolarHBondContact NZ-OD1 2.88Å; H715-D758 PolarHBondContact N-OD1 3.28Å; H715-D758 IonicContact ND1-OD1 2.72Å; H715-D758 CarbonylContact O-C 3.56Å; H715-D758 WeakPolarHBondContact O-CA 3.25Å; H715-D758 WeakPolarHBondContact O-CB 3.46Å; L717-D758 HydrophobicContact CD1-CB 4.33Å; L717-D758 HydrophobicContact CG-CB 4.28Å |
| 759 | A | 93.8 | Very high | 93 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 154.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | F63 H715 L716 L717 A752 D757 | F63-A759 HydrophobicContact CE1-CB 3.7Å; F63-A759 HydrophobicContact CE2-CB 3.77Å; F63-A759 HydrophobicContact CZ-CB 3.22Å; H715-A759 PolarHBondContact O-N 3.49Å; L716-A759 HydrophobicContact CD1-CB 4.1Å; L717-A759 PolarHBondContact N-O 2.94Å; A752-A759 HydrophobicContact CB-CB 4.24Å; A752-A759 WeakPolarHBondContact O-CB 3.42Å; D757-A759 PolarHBondContact O-N 3.35Å |
| 760 | N | 94.3 | Very high | 92.9 | Very high | 35 Ų | 35 | 39.6 Ų | 39.6 | 19% | 0.187 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 111.3 | -177 | -178.6 | 33.2 | 0 | 0 | 0 | 111.9 | L717 N719 S720 A752 | L717-N760 HydrophobicContact CB-CB 4.4Å; L717-N760 PolarHBondContact O-OD1 3.45Å; N719-N760 PolarHBondContact N-OD1 3.01Å; S720-N760 WeakPolarHBondContact CA-OD1 3.47Å; S720-N760 PolarHBondContact N-OD1 3.35Å; S720-N760 PolarHBondContact OG-ND2 3.49Å; A752-N760 WeakPolarHBondContact CA-O 3.15Å; A752-N760 PolarHBondContact O-N 3.43Å; A752-N760 VanDerWaalsContact O-N 3.12Å |
| 761 | V | 93.9 | Very high | 92.8 | Very high | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 127 | 170 | 70.1 | 0 | 0 | 0 | 0 | 109.6 | L59 L716 L717 L718 N719 A748 L749 A752 | L59-V761 HydrophobicContact CD1-CG1 4.11Å; L716-V761 HydrophobicContact CD1-CB 4.08Å; L716-V761 HydrophobicContact CD1-CG1 4.14Å; L716-V761 HydrophobicContact CD2-CB 4.37Å; L716-V761 HydrophobicContact CD2-CG1 3.7Å; L716-V761 HydrophobicContact CG-CG1 4.01Å; L717-V761 WeakPolarHBondContact O-CG1 3.37Å; L717-V761 PolarHBondContact O-N 3.14Å; L718-V761 HydrophobicContact CB-CG1 4.48Å; L718-V761 HydrophobicContact CD1-CG1 3.74Å; N719-V761 PolarHBondContact N-O 3.12Å; A748-V761 HydrophobicContact CB-CG2 3.67Å; L749-V761 HydrophobicContact CD2-CG2 4.46Å; A752-V761 HydrophobicContact CB-CB 4.34Å |
| 762 | K | 91.3 | Very high | 92.7 | Very high | 107 Ų | 107 | 47.2 Ų | 47.2 | 47% | 0.465 | 24% | 0.244 | S | C | . | . | trans | -106.7 | 130.5 | 174.3 | -64.9 | -179.1 | -177.4 | 177.5 | 0 | 109.5 | E764 M765 A766 | K762-E764 PolarHBondContact O-N 2.85Å; K762-M765 HydrophobicContact CB-CB 4.25Å; K762-M765 WeakPolarHBondContact O-CB 3.33Å; K762-M765 PolarHBondContact O-N 3.24Å; K762-A766 PolarHBondContact O-N 3.37Å | ||
| 763 | E | 91.7 | Very high | 92.8 | Very high | 44 Ų | 44 | 46.6 Ų | 46.6 | 21% | 0.206 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.9 | -36.1 | 176.1 | -77 | -172.7 | -86.4 | 0 | 0 | 112.6 | L718 N719 L731 K739 Y740 M765 A766 E767 | L718-E763 HydrophobicContact CD1-CG 4.09Å; N719-E763 PolarHBondContact ND2-OE1 3.35Å; N719-E763 PolarHBondContact OD1-N 3.06Å; N719-E763 VanDerWaalsContact OD1-N 3.14Å; L731-E763 HydrophobicContact CD1-CG 4.07Å; K739-E763 IonicContact NZ-OE2 3.57Å; K739-E763 PolarHBondContact NZ-OE2 3.45Å; Y740-E763 HydrophobicContact CE2-CB 4.34Å; Y740-E763 HydrophobicContact CE2-CG 3.99Å; Y740-E763 VanDerWaalsContact OH-CB 3.27Å; Y740-E763 WeakPolarHBondContact OH-CB 3.23Å; Y740-E763 VanDerWaalsContact OH-CD 3.28Å; Y740-E763 WeakPolarHBondContact OH-CG 3.43Å; Y740-E763 PolarHBondContact OH-OE2 2.85Å; E763-M765 PolarHBondContact O-N 3.37Å; E763-A766 PolarHBondContact O-N 2.9Å; E763-A766 VanDerWaalsContact O-N 3.14Å; E763-E767 PolarHBondContact O-N 3.41Å |
| 764 | E | 90.8 | Very high | 93 | Very high | 141 Ų | 141 | 47.4 Ų | 47.4 | 66% | 0.659 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -59.2 | -33.4 | 174.2 | -64.5 | 178.2 | 171.7 | 0 | 0 | 112.4 | K762 A768 | K762-E764 PolarHBondContact O-N 2.85Å; E764-A768 VanDerWaalsContact O-CB 3.25Å; E764-A768 WeakPolarHBondContact O-CB 3.48Å; E764-A768 PolarHBondContact O-N 2.96Å |
| 765 | M | 90.5 | Very high | 93.2 | Very high | 35 Ų | 35 | 49.3 Ų | 49.3 | 17% | 0.172 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -73.4 | -36.9 | 177.6 | -169.8 | 59.3 | 177.5 | 0 | 0 | 111.5 | D751 K762 E763 A768 G769 Y840 | D751-M765 HydrophobicContact CB-CE 3.86Å; D751-M765 HydrophobicContact CB-CG 4.28Å; K762-M765 HydrophobicContact CB-CB 4.25Å; K762-M765 WeakPolarHBondContact O-CB 3.33Å; K762-M765 PolarHBondContact O-N 3.24Å; E763-M765 PolarHBondContact O-N 3.37Å; M765-A768 PolarHBondContact O-N 3.48Å; M765-G769 PolarHBondContact O-N 2.96Å; M765-Y840 WeakPolarHBondContact CE-OH 3.48Å |
| 766 | A | 92.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.1 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y740 A748 K762 E763 G769 L770 | Y740-A766 HydrophobicContact CD1-CB 3.87Å; Y740-A766 HydrophobicContact CD2-CB 3.85Å; Y740-A766 HydrophobicContact CE1-CB 4.44Å; Y740-A766 HydrophobicContact CE2-CB 4.39Å; Y740-A766 HydrophobicContact CG-CB 3.56Å; A748-A766 HydrophobicContact CB-CB 3.75Å; K762-A766 PolarHBondContact O-N 3.37Å; E763-A766 PolarHBondContact O-N 2.9Å; E763-A766 VanDerWaalsContact O-N 3.14Å; A766-G769 PolarHBondContact O-N 3.45Å; A766-L770 WeakPolarHBondContact O-CB 3.42Å; A766-L770 PolarHBondContact O-N 3.46Å |
| 767 | E | 92.5 | Very high | 93.7 | Very high | 52 Ų | 52 | 45.2 Ų | 45.2 | 24% | 0.243 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 174.1 | -170.3 | 95.2 | -141.6 | 0 | 0 | 111.4 | R3 Y740 E763 G769 L770 L771 | R3-E767 IonicContact CZ-OE1 2.72Å; R3-E767 IonicContact NE-OE1 3.78Å; R3-E767 PolarHBondContact NE-OE1 3.28Å; R3-E767 IonicContact NE-OE2 3.87Å; R3-E767 IonicContact NH2-OE1 3.73Å; R3-E767 PolarHBondContact NH2-OE1 3.5Å; Y740-E767 HydrophobicContact CD1-CB 4.3Å; Y740-E767 HydrophobicContact CE1-CB 4.15Å; E763-E767 PolarHBondContact O-N 3.41Å; E767-G769 VanDerWaalsContact C-N 3.34Å; E767-G769 PolarHBondContact O-N 3.47Å; E767-L770 WeakPolarHBondContact O-CB 3.33Å; E767-L770 PolarHBondContact O-N 2.86Å; E767-L771 WeakPolarHBondContact O-CG 2.96Å; E767-L771 PolarHBondContact O-N 3.26Å; E767-L771 VanDerWaalsContact O-N 3.1Å |
| 768 | A | 91.1 | Very high | 93.9 | Very high | 31 Ų | 31 | 42 Ų | 42 | 26% | 0.256 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.1 | -40.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | E764 M765 L771 R772 | E764-A768 VanDerWaalsContact O-CB 3.25Å; E764-A768 WeakPolarHBondContact O-CB 3.48Å; E764-A768 PolarHBondContact O-N 2.96Å; M765-A768 PolarHBondContact O-N 3.48Å; A768-L771 PolarHBondContact O-N 3.33Å; A768-R772 WeakPolarHBondContact O-CB 3.39Å; A768-R772 VanDerWaalsContact O-CG 3.23Å; A768-R772 WeakPolarHBondContact O-CG 3.36Å; A768-R772 PolarHBondContact O-N 3.1Å |
| 769 | G | 91.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.8 | -50.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L747 M765 A766 E767 L771 R772 L773 | L747-G769 VanDerWaalsContact CD1-CA 3.48Å; M765-G769 PolarHBondContact O-N 2.96Å; A766-G769 PolarHBondContact O-N 3.45Å; E767-G769 VanDerWaalsContact C-N 3.34Å; E767-G769 PolarHBondContact O-N 3.47Å; G769-L771 PolarHBondContact O-N 2.69Å; G769-R772 PolarHBondContact O-N 2.8Å; G769-L773 WeakPolarHBondContact O-CG 2.95Å; G769-L773 PolarHBondContact O-N 2.92Å |
| 770 | L | 94 | Very high | 94.3 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -51.3 | -53.1 | 172.9 | 175.5 | 82.7 | 0 | 0 | 0 | 112.1 | L9 L12 A766 E767 R772 L773 Y774 | L9-L770 HydrophobicContact CB-CD2 4.14Å; L9-L770 HydrophobicContact CD1-CD1 3.8Å; L9-L770 HydrophobicContact CD1-CD2 4.25Å; L12-L770 HydrophobicContact CB-CD1 4.44Å; L12-L770 HydrophobicContact CD1-CD1 3.31Å; L12-L770 HydrophobicContact CD1-CG 4.05Å; L12-L770 HydrophobicContact CG-CD1 4.47Å; A766-L770 WeakPolarHBondContact O-CB 3.42Å; A766-L770 PolarHBondContact O-N 3.46Å; E767-L770 WeakPolarHBondContact O-CB 3.33Å; E767-L770 PolarHBondContact O-N 2.86Å; L770-R772 VanDerWaalsContact C-N 3.32Å; L770-R772 PolarHBondContact O-N 3.27Å; L770-L773 PolarHBondContact O-N 2.91Å; L770-Y774 PolarHBondContact O-N 2.82Å |
| 771 | L | 94.3 | Very high | 94.3 | Very high | 74 Ų | 74 | 41.6 Ų | 41.6 | 39% | 0.387 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.1 | -36.3 | -176.8 | -68.3 | 175.5 | 0 | 0 | 0 | 112.4 | K8 E767 A768 G769 S775 | K8-L771 HydrophobicContact CD-CD2 4.01Å; E767-L771 WeakPolarHBondContact O-CG 2.96Å; E767-L771 PolarHBondContact O-N 3.26Å; E767-L771 VanDerWaalsContact O-N 3.1Å; A768-L771 PolarHBondContact O-N 3.33Å; G769-L771 PolarHBondContact O-N 2.69Å; L771-S775 WeakPolarHBondContact O-CB 3.43Å; L771-S775 PolarHBondContact O-N 2.96Å; L771-S775 PolarHBondContact O-OG 3.12Å |
| 772 | R | 95 | Very high | 94.4 | Very high | 126 Ų | 126 | 46.5 Ų | 46.5 | 48% | 0.475 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.2 | -38.7 | 176 | -70.6 | 173.1 | -172.4 | -105.3 | 7.6 | 111.8 | A768 G769 L770 S775 L776 F839 | A768-R772 WeakPolarHBondContact O-CB 3.39Å; A768-R772 VanDerWaalsContact O-CG 3.23Å; A768-R772 WeakPolarHBondContact O-CG 3.36Å; A768-R772 PolarHBondContact O-N 3.1Å; G769-R772 PolarHBondContact O-N 2.8Å; L770-R772 VanDerWaalsContact C-N 3.32Å; L770-R772 PolarHBondContact O-N 3.27Å; R772-S775 PolarHBondContact O-N 2.8Å; R772-L776 PolarHBondContact O-N 3.11Å; R772-F839 HydrophobicContact CB-CE1 3.8Å; R772-F839 HydrophobicContact CB-CZ 3.66Å |
| 773 | L | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.4 | -42.8 | 174.7 | -75.9 | 172.3 | 0 | 0 | 0 | 112.1 | D743 L747 G769 L770 S775 L776 L777 F839 L873 C877 V880 | D743-L773 HydrophobicContact CB-CD1 3.55Å; L747-L773 HydrophobicContact CD1-CD1 3.44Å; L747-L773 VanDerWaalsContact CD1-CD1 3.44Å; L747-L773 HydrophobicContact CD1-CD2 4.17Å; L747-L773 HydrophobicContact CD1-CG 3.58Å; L747-L773 HydrophobicContact CG-CD1 4.25Å; G769-L773 WeakPolarHBondContact O-CG 2.95Å; G769-L773 PolarHBondContact O-N 2.92Å; L770-L773 PolarHBondContact O-N 2.91Å; L773-S775 VanDerWaalsContact C-N 3.3Å; L773-S775 PolarHBondContact O-N 3.37Å; L773-L776 WeakPolarHBondContact O-CB 3.45Å; L773-L776 PolarHBondContact O-N 2.72Å; L773-L777 PolarHBondContact O-N 3.33Å; L773-F839 HydrophobicContact CD2-CE2 3.97Å; L773-F839 HydrophobicContact CD2-CZ 4.25Å; L773-F839 HydrophobicContact CG-CZ 4.48Å; L773-L873 HydrophobicContact CD2-CD2 4.49Å; L773-C877 HydrophobicContact CD2-CB 3.94Å; L773-V880 HydrophobicContact CB-CG2 4.36Å |
| 774 | Y | 96.4 | Very high | 94.8 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 12% | 0.118 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.6 | -43.8 | 173.5 | -167.4 | -86.8 | 0 | 0 | 0 | 111.3 | K8 E11 L12 L770 L776 L777 D778 | K8-Y774 HydrophobicContact CB-CD1 4.35Å; K8-Y774 HydrophobicContact CB-CD2 3.68Å; K8-Y774 HydrophobicContact CB-CE2 3.91Å; K8-Y774 HydrophobicContact CB-CG 3.91Å; K8-Y774 HydrophobicContact CD-CD1 3.54Å; K8-Y774 HydrophobicContact CD-CD2 4.4Å; K8-Y774 HydrophobicContact CD-CE1 3.86Å; K8-Y774 HydrophobicContact CD-CG 3.82Å; K8-Y774 HydrophobicContact CG-CD1 3.83Å; K8-Y774 HydrophobicContact CG-CD2 3.99Å; K8-Y774 HydrophobicContact CG-CE1 3.76Å; K8-Y774 HydrophobicContact CG-CE2 3.96Å; K8-Y774 HydrophobicContact CG-CG 3.92Å; E11-Y774 HydrophobicContact CB-CE2 4.12Å; E11-Y774 HydrophobicContact CG-CE2 4.2Å; E11-Y774 WeakPolarHBondContact OE2-CE2 3.22Å; E11-Y774 VanDerWaalsContact OE2-CZ 3.27Å; E11-Y774 PolarHBondContact OE2-OH 3.12Å; L12-Y774 HydrophobicContact CD1-CD2 4.22Å; L12-Y774 HydrophobicContact CD2-CD2 4.49Å; L12-Y774 HydrophobicContact CG-CD2 4.07Å; L770-Y774 PolarHBondContact O-N 2.82Å; Y774-L776 VanDerWaalsContact C-N 3.27Å; Y774-L776 PolarHBondContact O-N 2.84Å; Y774-L777 WeakPolarHBondContact O-CB 3.41Å; Y774-L777 PolarHBondContact O-N 2.98Å; Y774-L777 VanDerWaalsContact O-N 3.16Å; Y774-D778 VanDerWaalsContact CD1-OD2 3.22Å; Y774-D778 WeakPolarHBondContact CD1-OD2 3.31Å; Y774-D778 WeakPolarHBondContact CE1-OD1 3.46Å; Y774-D778 WeakPolarHBondContact CE1-OD2 2.87Å; Y774-D778 PolarHBondContact O-N 3.23Å |
| 775 | S | 96.2 | Very high | 94.9 | Very high | 62 Ų | 62 | 39.3 Ų | 39.3 | 43% | 0.434 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.9 | -33.7 | 177.4 | -53.4 | 0 | 0 | 0 | 0 | 112.2 | L771 R772 L773 W779 | L771-S775 WeakPolarHBondContact O-CB 3.43Å; L771-S775 PolarHBondContact O-N 2.96Å; L771-S775 PolarHBondContact O-OG 3.12Å; R772-S775 PolarHBondContact O-N 2.8Å; L773-S775 VanDerWaalsContact C-N 3.3Å; L773-S775 PolarHBondContact O-N 3.37Å; S775-W779 VanDerWaalsContact O-CB 3.3Å; S775-W779 WeakPolarHBondContact O-CB 3.38Å; S775-W779 PolarHBondContact O-N 3.3Å |
| 776 | L | 97 | Very high | 95.1 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65 | -47.8 | 172.4 | -175.6 | 66.5 | 0 | 0 | 0 | 110.6 | R772 L773 Y774 W779 F780 F839 L873 | R772-L776 PolarHBondContact O-N 3.11Å; L773-L776 WeakPolarHBondContact O-CB 3.45Å; L773-L776 PolarHBondContact O-N 2.72Å; Y774-L776 VanDerWaalsContact C-N 3.27Å; Y774-L776 PolarHBondContact O-N 2.84Å; L776-W779 PolarHBondContact O-N 2.75Å; L776-F780 HydrophobicContact CD1-CD2 3.95Å; L776-F780 HydrophobicContact CD1-CE2 3.69Å; L776-F780 HydrophobicContact CG-CD2 4.04Å; L776-F780 HydrophobicContact CG-CE2 4.02Å; L776-F780 WeakPolarHBondContact O-CD2 3.48Å; L776-F780 PolarHBondContact O-N 2.93Å; L776-F839 HydrophobicContact CD2-CE2 4.1Å; L776-L873 HydrophobicContact CD2-CD2 3.92Å |
| 777 | L | 97.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.3 | -48.1 | 177 | 177.2 | 62.4 | 0 | 0 | 0 | 111.9 | L12 I15 L773 Y774 W779 F780 N781 V880 I884 L888 | L12-L777 HydrophobicContact CD2-CD2 4.37Å; I15-L777 HydrophobicContact CD1-CD2 3.45Å; I15-L777 VanDerWaalsContact CD1-CD2 3.45Å; L773-L777 PolarHBondContact O-N 3.33Å; Y774-L777 WeakPolarHBondContact O-CB 3.41Å; Y774-L777 PolarHBondContact O-N 2.98Å; Y774-L777 VanDerWaalsContact O-N 3.16Å; L777-W779 VanDerWaalsContact C-N 3.3Å; L777-W779 PolarHBondContact O-N 3.09Å; L777-F780 PolarHBondContact O-N 3.4Å; L777-N781 PolarHBondContact O-N 2.94Å; L777-N781 PolarHBondContact O-ND2 2.9Å; L777-V880 HydrophobicContact CB-CG1 4.42Å; L777-I884 HydrophobicContact CD1-CD1 4.07Å; L777-I884 HydrophobicContact CD1-CG1 3.64Å; L777-L888 HydrophobicContact CD1-CD1 3.96Å |
| 778 | D | 97 | Very high | 95 | Very high | 52 Ų | 52 | 41.7 Ų | 41.7 | 28% | 0.278 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56.9 | -45.3 | 175.3 | -75.6 | -17.2 | 0 | 0 | 0 | 111.4 | Y774 F780 N781 M782 | Y774-D778 VanDerWaalsContact CD1-OD2 3.22Å; Y774-D778 WeakPolarHBondContact CD1-OD2 3.31Å; Y774-D778 WeakPolarHBondContact CE1-OD1 3.46Å; Y774-D778 WeakPolarHBondContact CE1-OD2 2.87Å; Y774-D778 PolarHBondContact O-N 3.23Å; D778-F780 VanDerWaalsContact C-N 3.33Å; D778-F780 PolarHBondContact O-N 3Å; D778-N781 PolarHBondContact O-N 3.3Å; D778-M782 HydrophobicContact CB-CE 4.31Å; D778-M782 WeakPolarHBondContact O-CE 3.38Å; D778-M782 WeakPolarHBondContact O-CG 3.44Å; D778-M782 PolarHBondContact O-N 2.99Å |
| 779 | W | 97 | Very high | 95.1 | Very high | 44 Ų | 44 | 43.4 Ų | 43.4 | 17% | 0.167 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 178.8 | -177.7 | 86.9 | 0 | 0 | 0 | 111.7 | S775 L776 L777 T783 R846 I862 Y865 M866 | S775-W779 VanDerWaalsContact O-CB 3.3Å; S775-W779 WeakPolarHBondContact O-CB 3.38Å; S775-W779 PolarHBondContact O-N 3.3Å; L776-W779 PolarHBondContact O-N 2.75Å; L777-W779 VanDerWaalsContact C-N 3.3Å; L777-W779 PolarHBondContact O-N 3.09Å; W779-T783 HydrophobicContact CH2-CG2 4.11Å; W779-T783 HydrophobicContact CZ2-CG2 4.14Å; W779-T783 WeakPolarHBondContact CZ2-OG1 3.47Å; W779-T783 WeakPolarHBondContact O-CB 3.5Å; W779-T783 PolarHBondContact O-N 2.86Å; W779-T783 PolarHBondContact O-OG1 3.41Å; W779-R846 VanDerWaalsContact CZ2-CD 3.43Å; W779-R846 HydrophobicContact CZ2-CG 4.41Å; W779-I862 HydrophobicContact CH2-CD1 3.9Å; W779-I862 HydrophobicContact CH2-CG1 4.17Å; W779-I862 HydrophobicContact CZ2-CD1 4.14Å; W779-I862 HydrophobicContact CZ2-CG1 4.5Å; W779-Y865 HydrophobicContact CH2-CD1 4.11Å; W779-Y865 AromaticContact CH2-CE1 3.74Å; W779-Y865 HydrophobicContact CH2-CE1 3.74Å; W779-Y865 HydrophobicContact CZ3-CD1 4.44Å; W779-Y865 AromaticContact CZ3-CE1 3.82Å; W779-Y865 HydrophobicContact CZ3-CE1 3.82Å; W779-M866 HydrophobicContact CH2-CG 4Å; W779-M866 HydrophobicContact CH2-SD 4.33Å; W779-M866 HydrophobicContact CZ3-CE 4.31Å; W779-M866 HydrophobicContact CZ3-CG 3.82Å; W779-M866 HydrophobicContact CZ3-SD 4.33Å |
| 780 | F | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 174.4 | -94.3 | -103.4 | 0 | 0 | 0 | 111.6 | L776 L777 D778 T783 L784 M866 Q869 L870 I884 | L776-F780 HydrophobicContact CD1-CD2 3.95Å; L776-F780 HydrophobicContact CD1-CE2 3.69Å; L776-F780 HydrophobicContact CG-CD2 4.04Å; L776-F780 HydrophobicContact CG-CE2 4.02Å; L776-F780 WeakPolarHBondContact O-CD2 3.48Å; L776-F780 PolarHBondContact O-N 2.93Å; L777-F780 PolarHBondContact O-N 3.4Å; D778-F780 VanDerWaalsContact C-N 3.33Å; D778-F780 PolarHBondContact O-N 3Å; F780-T783 PolarHBondContact O-N 3.26Å; F780-L784 WeakPolarHBondContact O-CB 3.4Å; F780-L784 VanDerWaalsContact O-CG 3.27Å; F780-L784 WeakPolarHBondContact O-CG 3.44Å; F780-L784 PolarHBondContact O-N 3.2Å; F780-M866 HydrophobicContact CB-CE 4.44Å; F780-M866 HydrophobicContact CD1-CB 4.49Å; F780-M866 HydrophobicContact CD1-CE 3.3Å; F780-M866 HydrophobicContact CD1-CG 4.42Å; F780-M866 HydrophobicContact CE1-CB 3.59Å; F780-M866 HydrophobicContact CE1-CE 3.66Å; F780-M866 HydrophobicContact CE1-CG 3.85Å; F780-M866 HydrophobicContact CG-CE 3.94Å; F780-M866 HydrophobicContact CZ-CB 3.89Å; F780-M866 HydrophobicContact CZ-CE 4.5Å; F780-M866 HydrophobicContact CZ-CG 4.02Å; F780-Q869 HydrophobicContact CE2-CG 4.36Å; F780-Q869 HydrophobicContact CZ-CB 4.41Å; F780-Q869 HydrophobicContact CZ-CG 4.38Å; F780-L870 HydrophobicContact CE1-CD1 3.76Å; F780-L870 HydrophobicContact CE1-CD2 4.02Å; F780-L870 HydrophobicContact CE1-CG 3.8Å; F780-L870 HydrophobicContact CZ-CD1 4.35Å; F780-L870 HydrophobicContact CZ-CD2 3.99Å; F780-L870 HydrophobicContact CZ-CG 3.87Å; F780-I884 HydrophobicContact CB-CD1 4.22Å; F780-I884 HydrophobicContact CB-CG2 4.43Å; F780-I884 HydrophobicContact CD1-CD1 4.29Å; F780-I884 HydrophobicContact CD1-CG2 3.44Å; F780-I884 VanDerWaalsContact CD1-CG2 3.44Å; F780-I884 HydrophobicContact CD2-CD1 4.21Å; F780-I884 HydrophobicContact CE1-CG2 3.89Å; F780-I884 HydrophobicContact CG-CD1 3.99Å; F780-I884 HydrophobicContact CG-CG2 4.12Å |
| 781 | N | 96.2 | Very high | 94.6 | Very high | 60 Ų | 60 | 51 Ų | 51 | 32% | 0.321 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -56.1 | -55.6 | 177.2 | -83.2 | -45.1 | 0 | 0 | 0 | 111.7 | L777 D778 T783 L784 E785 L888 | L777-N781 PolarHBondContact O-N 2.94Å; L777-N781 PolarHBondContact O-ND2 2.9Å; D778-N781 PolarHBondContact O-N 3.3Å; N781-T783 VanDerWaalsContact C-N 3.32Å; N781-T783 PolarHBondContact O-N 2.93Å; N781-L784 PolarHBondContact O-N 3.47Å; N781-E785 PolarHBondContact O-N 2.91Å; N781-L888 WeakPolarHBondContact OD1-CD1 3.33Å; N781-L888 WeakPolarHBondContact OD1-CD2 3.38Å |
| 782 | M | 95.2 | Very high | 94.3 | Very high | 110 Ų | 110 | 50 Ų | 50 | 54% | 0.542 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.3 | -40.9 | -179.9 | -69.3 | -175.5 | -71.9 | 0 | 0 | 112.1 | D778 I786 | D778-M782 HydrophobicContact CB-CE 4.31Å; D778-M782 WeakPolarHBondContact O-CE 3.38Å; D778-M782 WeakPolarHBondContact O-CG 3.44Å; D778-M782 PolarHBondContact O-N 2.99Å; M782-I786 WeakPolarHBondContact O-CG1 3.46Å; M782-I786 PolarHBondContact O-N 3.04Å |
| 783 | T | 95.2 | Very high | 93.9 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.1 | -40.7 | -179.1 | -55.7 | 0 | 0 | 0 | 0 | 111 | W779 F780 N781 I786 L787 M866 | W779-T783 HydrophobicContact CH2-CG2 4.11Å; W779-T783 HydrophobicContact CZ2-CG2 4.14Å; W779-T783 WeakPolarHBondContact CZ2-OG1 3.47Å; W779-T783 WeakPolarHBondContact O-CB 3.5Å; W779-T783 PolarHBondContact O-N 2.86Å; W779-T783 PolarHBondContact O-OG1 3.41Å; F780-T783 PolarHBondContact O-N 3.26Å; N781-T783 VanDerWaalsContact C-N 3.32Å; N781-T783 PolarHBondContact O-N 2.93Å; T783-I786 PolarHBondContact O-N 3.34Å; T783-L787 HydrophobicContact CG2-CD1 3.77Å; T783-L787 HydrophobicContact CG2-CG 4.07Å; T783-L787 WeakPolarHBondContact O-CB 3.26Å; T783-L787 WeakPolarHBondContact O-CG 3.43Å; T783-L787 PolarHBondContact O-N 2.9Å; T783-M866 HydrophobicContact CG2-CE 4.29Å; T783-M866 HydrophobicContact CG2-SD 3.96Å |
| 784 | L | 95.8 | Very high | 93.2 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.8 | -37.8 | 176.5 | -72.6 | 174.2 | 0 | 0 | 0 | 112.5 | F780 N781 I786 L787 N788 M866 L888 L889 | F780-L784 WeakPolarHBondContact O-CB 3.4Å; F780-L784 VanDerWaalsContact O-CG 3.27Å; F780-L784 WeakPolarHBondContact O-CG 3.44Å; F780-L784 PolarHBondContact O-N 3.2Å; N781-L784 PolarHBondContact O-N 3.47Å; L784-I786 VanDerWaalsContact C-N 3.33Å; L784-I786 PolarHBondContact O-N 3.04Å; L784-L787 PolarHBondContact O-N 3.34Å; L784-N788 WeakPolarHBondContact O-CB 3.4Å; L784-N788 PolarHBondContact O-N 3.34Å; L784-N788 PolarHBondContact O-ND2 2.81Å; L784-M866 HydrophobicContact CD1-CE 4.34Å; L784-M866 HydrophobicContact CD2-CE 3.65Å; L784-M866 HydrophobicContact CG-CE 3.64Å; L784-L888 HydrophobicContact CD1-CB 3.63Å; L784-L888 HydrophobicContact CD1-CD1 4.43Å; L784-L889 HydrophobicContact CD1-CD2 3.8Å; L784-L889 HydrophobicContact CD2-CD2 3.67Å; L784-L889 HydrophobicContact CG-CD2 4.4Å |
| 785 | E | 94 | Very high | 92.5 | Very high | 128 Ų | 128 | 57.6 Ų | 57.6 | 60% | 0.598 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -56.5 | -48.9 | 172.6 | -174.9 | -177.5 | 178.1 | 0 | 0 | 110.7 | N781 D789 L792 | N781-E785 PolarHBondContact O-N 2.91Å; E785-D789 PolarHBondContact O-N 2.75Å; E785-L792 HydrophobicContact CG-CD1 4.16Å |
| 786 | I | 92.9 | Very high | 91.8 | Very high | 38 Ų | 38 | 56.8 Ų | 56.8 | 20% | 0.195 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61 | -51.3 | 175.1 | -65.2 | 166.3 | 0 | 0 | 0 | 110.3 | M782 T783 L784 N788 D789 L792 Q793 Y798 | M782-I786 WeakPolarHBondContact O-CG1 3.46Å; M782-I786 PolarHBondContact O-N 3.04Å; T783-I786 PolarHBondContact O-N 3.34Å; L784-I786 VanDerWaalsContact C-N 3.33Å; L784-I786 PolarHBondContact O-N 3.04Å; I786-N788 VanDerWaalsContact C-N 3.26Å; I786-N788 PolarHBondContact O-N 3.35Å; I786-D789 PolarHBondContact O-N 3.41Å; I786-L792 HydrophobicContact CG2-CB 4.43Å; I786-Q793 WeakPolarHBondContact O-CG 3.49Å; I786-Y798 HydrophobicContact CG2-CD2 4.03Å; I786-Y798 HydrophobicContact CG2-CE2 3.76Å |
| 787 | L | 93.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.1 | -17.9 | -173.1 | -69.8 | -178.5 | 0 | 0 | 0 | 114.2 | T783 L784 Q793 Y798 T859 I862 R863 M866 | T783-L787 HydrophobicContact CG2-CD1 3.77Å; T783-L787 HydrophobicContact CG2-CG 4.07Å; T783-L787 WeakPolarHBondContact O-CB 3.26Å; T783-L787 WeakPolarHBondContact O-CG 3.43Å; T783-L787 PolarHBondContact O-N 2.9Å; L784-L787 PolarHBondContact O-N 3.34Å; L787-Q793 PolarHBondContact O-NE2 3.37Å; L787-Y798 HydrophobicContact CD2-CD1 3.45Å; L787-Y798 VanDerWaalsContact CD2-CD1 3.45Å; L787-Y798 HydrophobicContact CD2-CE1 3.61Å; L787-Y798 HydrophobicContact CD2-CG 4.28Å; L787-Y798 HydrophobicContact CG-CE1 4.4Å; L787-T859 HydrophobicContact CD2-CG2 3.96Å; L787-I862 HydrophobicContact CD1-CG2 3.94Å; L787-I862 HydrophobicContact CD2-CG2 4.15Å; L787-R863 VanDerWaalsContact C-NH2 3.33Å; L787-R863 HydrophobicContact CD1-CG 3.81Å; L787-R863 PolarHBondContact O-NH2 2.98Å; L787-M866 HydrophobicContact CD1-SD 3.95Å |
| 788 | N | 91.5 | Very high | 90.9 | Very high | 102 Ų | 102 | 62.6 Ų | 62.6 | 55% | 0.545 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -96.7 | -11.5 | 179.1 | -67 | -20.4 | 0 | 0 | 0 | 112.7 | L784 I786 R863 | L784-N788 WeakPolarHBondContact O-CB 3.4Å; L784-N788 PolarHBondContact O-N 3.34Å; L784-N788 PolarHBondContact O-ND2 2.81Å; I786-N788 VanDerWaalsContact C-N 3.26Å; I786-N788 PolarHBondContact O-N 3.35Å; N788-R863 PolarHBondContact OD1-NH2 3.01Å |
| 789 | D | 92.4 | Very high | 90.7 | Very high | 67 Ų | 67 | 62 Ų | 62 | 36% | 0.358 | 32% | 0.317 | S | S | . | . | trans | -110.4 | 114.6 | 174.8 | -176.9 | -51.8 | 0 | 0 | 0 | 110.8 | E785 I786 T791 L792 Q793 | E785-D789 PolarHBondContact O-N 2.75Å; I786-D789 PolarHBondContact O-N 3.41Å; D789-T791 PolarHBondContact O-N 3.01Å; D789-T791 VanDerWaalsContact OD1-CA 3.26Å; D789-T791 WeakPolarHBondContact OD1-CA 3.12Å; D789-T791 WeakPolarHBondContact OD1-CB 3.42Å; D789-T791 PolarHBondContact OD1-N 3.37Å; D789-L792 HydrophobicContact CB-CB 3.98Å; D789-L792 HydrophobicContact CB-CD1 3.93Å; D789-L792 HydrophobicContact CB-CG 3.9Å; D789-L792 PolarHBondContact O-N 3.3Å; D789-L792 VanDerWaalsContact O-N 3.17Å; D789-L792 PolarHBondContact OD1-N 2.77Å; D789-Q793 WeakPolarHBondContact O-CG 3.31Å; D789-Q793 PolarHBondContact O-N 3.48Å | ||
| 790 | S | 86.8 | Confident | 90.5 | Very high | 90 Ų | 90 | 64.7 Ų | 64.7 | 63% | 0.629 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.5 | -30.8 | -178.1 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | Q794 | S790-Q794 PolarHBondContact O-N 2.7Å; S790-Q794 VanDerWaalsContact O-N 3.13Å |
| 791 | T | 88.7 | Confident | 90.2 | Very high | 71 Ų | 71 | 67.4 Ų | 67.4 | 44% | 0.436 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -71.2 | -42.5 | 176.6 | -51.3 | 0 | 0 | 0 | 0 | 110.4 | D789 K795 | D789-T791 PolarHBondContact O-N 3.01Å; D789-T791 VanDerWaalsContact OD1-CA 3.26Å; D789-T791 WeakPolarHBondContact OD1-CA 3.12Å; D789-T791 WeakPolarHBondContact OD1-CB 3.42Å; D789-T791 PolarHBondContact OD1-N 3.37Å; T791-K795 HydrophobicContact CG2-CD 4.21Å; T791-K795 WeakPolarHBondContact O-CB 3.31Å; T791-K795 VanDerWaalsContact O-CG 3.26Å; T791-K795 WeakPolarHBondContact O-CG 3.44Å; T791-K795 PolarHBondContact O-N 3.37Å |
| 792 | L | 88 | Confident | 90.2 | Very high | 51 Ų | 51 | 68.3 Ų | 68.3 | 27% | 0.267 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.2 | -38.5 | 175.5 | -65.2 | -177.3 | 0 | 0 | 0 | 112.2 | E785 I786 D789 K795 S796 | E785-L792 HydrophobicContact CG-CD1 4.16Å; I786-L792 HydrophobicContact CG2-CB 4.43Å; D789-L792 HydrophobicContact CB-CB 3.98Å; D789-L792 HydrophobicContact CB-CD1 3.93Å; D789-L792 HydrophobicContact CB-CG 3.9Å; D789-L792 PolarHBondContact O-N 3.3Å; D789-L792 VanDerWaalsContact O-N 3.17Å; D789-L792 PolarHBondContact OD1-N 2.77Å; L792-K795 PolarHBondContact O-N 3.23Å; L792-S796 WeakPolarHBondContact O-CB 3.42Å; L792-S796 PolarHBondContact O-N 3.31Å; L792-S796 PolarHBondContact O-OG 3.35Å |
| 793 | Q | 86 | Confident | 90.2 | Very high | 36 Ų | 36 | 65.8 Ų | 65.8 | 17% | 0.168 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.9 | -49.4 | 173.8 | -72 | -178.3 | 60.7 | 0 | 0 | 111.6 | I786 L787 D789 S796 N797 Y798 | I786-Q793 WeakPolarHBondContact O-CG 3.49Å; L787-Q793 PolarHBondContact O-NE2 3.37Å; D789-Q793 WeakPolarHBondContact O-CG 3.31Å; D789-Q793 PolarHBondContact O-N 3.48Å; Q793-S796 CarbonylContact O-C 3.57Å; Q793-S796 PolarHBondContact O-N 2.96Å; Q793-N797 PolarHBondContact O-N 3.49Å; Q793-N797 VanDerWaalsContact O-N 3.09Å; Q793-Y798 PolarHBondContact O-N 3.33Å; Q793-Y798 VanDerWaalsContact O-N 3.13Å |
| 794 | Q | 82.6 | Confident | 90 | Very high | 158 Ų | 158 | 70.6 Ų | 70.6 | 74% | 0.738 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.3 | -43.5 | -179.9 | -169.9 | -179.2 | 16.5 | 0 | 0 | 111.2 | S790 S796 N797 | S790-Q794 PolarHBondContact O-N 2.7Å; S790-Q794 VanDerWaalsContact O-N 3.13Å; Q794-S796 VanDerWaalsContact C-N 3.26Å; Q794-S796 PolarHBondContact O-N 3.44Å; Q794-N797 PolarHBondContact O-N 2.89Å |
| 795 | K | 80.3 | Confident | 90 | Very high | 123 Ų | 123 | 72.3 Ų | 72.3 | 54% | 0.535 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.8 | -35.4 | 176.2 | -76.5 | 175.1 | 179.6 | 176.1 | 0 | 112.6 | T791 L792 N797 | T791-K795 HydrophobicContact CG2-CD 4.21Å; T791-K795 WeakPolarHBondContact O-CB 3.31Å; T791-K795 VanDerWaalsContact O-CG 3.26Å; T791-K795 WeakPolarHBondContact O-CG 3.44Å; T791-K795 PolarHBondContact O-N 3.37Å; L792-K795 PolarHBondContact O-N 3.23Å; K795-N797 VanDerWaalsContact C-N 3.34Å |
| 796 | S | 82.9 | Confident | 90 | Very high | 44 Ų | 44 | 67 Ų | 67 | 31% | 0.308 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 6.4 | -178.6 | -51.7 | 0 | 0 | 0 | 0 | 113.6 | L792 Q793 Q794 Y798 | L792-S796 WeakPolarHBondContact O-CB 3.42Å; L792-S796 PolarHBondContact O-N 3.31Å; L792-S796 PolarHBondContact O-OG 3.35Å; Q793-S796 CarbonylContact O-C 3.57Å; Q793-S796 PolarHBondContact O-N 2.96Å; Q794-S796 VanDerWaalsContact C-N 3.26Å; Q794-S796 PolarHBondContact O-N 3.44Å; S796-Y798 VanDerWaalsContact C-N 3.32Å; S796-Y798 WeakPolarHBondContact O-CD2 3.3Å; S796-Y798 PolarHBondContact O-N 2.87Å |
| 797 | N | 85.7 | Confident | 90.2 | Very high | 86 Ų | 86 | 65.3 Ų | 65.3 | 46% | 0.46 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 31.3 | 177.4 | -62.4 | -16.4 | 0 | 0 | 0 | 115.5 | Q793 Q794 K795 R799 S856 | Q793-N797 PolarHBondContact O-N 3.49Å; Q793-N797 VanDerWaalsContact O-N 3.09Å; Q794-N797 PolarHBondContact O-N 2.89Å; K795-N797 VanDerWaalsContact C-N 3.34Å; N797-R799 PolarHBondContact O-N 2.98Å; N797-S856 VanDerWaalsContact O-CA 3.32Å; N797-S856 WeakPolarHBondContact O-CA 3.38Å; N797-S856 PolarHBondContact O-OG 3.03Å |
| 798 | Y | 90.5 | Very high | 90.4 | Very high | 41 Ų | 41 | 65.2 Ų | 65.2 | 16% | 0.161 | 37% | 0.371 | C | S | . | . | trans | -72.8 | 126.1 | 174.1 | -79.2 | -113.7 | 0 | 0 | 0 | 110.2 | I786 L787 Q793 S796 V857 I862 | I786-Y798 HydrophobicContact CG2-CD2 4.03Å; I786-Y798 HydrophobicContact CG2-CE2 3.76Å; L787-Y798 HydrophobicContact CD2-CD1 3.45Å; L787-Y798 VanDerWaalsContact CD2-CD1 3.45Å; L787-Y798 HydrophobicContact CD2-CE1 3.61Å; L787-Y798 HydrophobicContact CD2-CG 4.28Å; L787-Y798 HydrophobicContact CG-CE1 4.4Å; Q793-Y798 PolarHBondContact O-N 3.33Å; Q793-Y798 VanDerWaalsContact O-N 3.13Å; S796-Y798 VanDerWaalsContact C-N 3.32Å; S796-Y798 WeakPolarHBondContact O-CD2 3.3Å; S796-Y798 PolarHBondContact O-N 2.87Å; Y798-V857 WeakPolarHBondContact CA-O 3.48Å; Y798-V857 HydrophobicContact CD1-CG2 3.51Å; Y798-V857 HydrophobicContact CE1-CG2 3.27Å; Y798-V857 HydrophobicContact CE2-CG2 4.41Å; Y798-V857 HydrophobicContact CG-CG2 4.19Å; Y798-I862 HydrophobicContact CD1-CG2 4.34Å; Y798-I862 HydrophobicContact CE1-CG2 4.11Å | ||
| 799 | R | 92.6 | Very high | 90.8 | Very high | 38 Ų | 38 | 64.7 Ų | 64.7 | 14% | 0.143 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -87.1 | 149.9 | -177.2 | -68.1 | -180 | -65.8 | 104.8 | 8 | 111.9 | N797 T804 D808 S856 V857 H858 T859 | N797-R799 PolarHBondContact O-N 2.98Å; R799-T804 PolarHBondContact NH1-OG1 3.26Å; R799-D808 IonicContact CZ-OD1 3.35Å; R799-D808 IonicContact CZ-OD2 2.9Å; R799-D808 IonicContact NH1-OD1 2.6Å; R799-D808 IonicContact NH1-OD2 3.92Å; R799-D808 PolarHBondContact NH1-OD2 3.03Å; R799-D808 IonicContact NH2-OD1 3.36Å; R799-D808 PolarHBondContact NH2-OD1 3.23Å; R799-D808 IonicContact NH2-OD2 2.67Å; R799-D808 PolarHBondContact NH2-OD2 3.05Å; R799-S856 WeakPolarHBondContact CD-OG 3.42Å; R799-S856 WeakPolarHBondContact CG-OG 3.47Å; R799-S856 PolarHBondContact NE-O 2.96Å; R799-S856 PolarHBondContact NH2-O 3.2Å; R799-V857 PolarHBondContact N-O 3.17Å; R799-H858 WeakPolarHBondContact O-CA 3.4Å; R799-H858 PolarHBondContact O-CD2 3.07Å; R799-T859 PolarHBondContact O-N 3.36Å; R799-T859 PolarHBondContact O-OG1 3.08Å |
| 800 | T | 91.1 | Very high | 91 | Very high | 102 Ų | 102 | 61.6 Ų | 61.6 | 63% | 0.626 | 35% | 0.347 | S | S | * | . | trans | -129.3 | 166.5 | 174.8 | 60.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 801 | G | 93.1 | Very high | 91.6 | Very high | 56 Ų | 56 | 57.3 Ų | 57.3 | 58% | 0.577 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 98.9 | -143.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H858 | G801-H858 PolarHBondContact O-NE2 3.39Š|
| 802 | A | 94.8 | Very high | 92.1 | Very high | 79 Ų | 79 | 55.4 Ų | 55.4 | 65% | 0.653 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -77.6 | 155.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | T804 | A802-T804 PolarHBondContact O-N 3.41Š|
| 803 | Y | 95.7 | Very high | 92.6 | Very high | 58 Ų | 58 | 53 Ų | 53 | 23% | 0.227 | 29% | 0.291 | C | S | . | . | trans | -63 | 126.1 | 173.5 | -64.3 | -14.6 | 0 | 0 | 0 | 110.6 | D808 F809 E812 H858 L861 | Y803-D808 HydrophobicContact CD1-CB 3.99Å; Y803-D808 HydrophobicContact CD2-CB 4.05Å; Y803-D808 HydrophobicContact CG-CB 3.66Å; Y803-F809 AromaticContact CD2-CD1 3.95Å; Y803-F809 HydrophobicContact CD2-CD1 3.95Å; Y803-F809 AromaticContact CD2-CE1 3.88Å; Y803-F809 HydrophobicContact CD2-CE1 3.88Å; Y803-F809 HydrophobicContact CD2-CG 4.4Å; Y803-F809 HydrophobicContact CD2-CZ 4.27Å; Y803-F809 HydrophobicContact CG-CE1 4.48Å; Y803-F809 HydrophobicContact CG-CZ 4.45Å; Y803-E812 HydrophobicContact CE2-CB 4.3Å; Y803-E812 WeakPolarHBondContact CE2-OE2 3.37Å; Y803-E812 PolarHBondContact OH-OE1 3.49Å; Y803-H858 AromaticContact CD1-ND1 4Å; Y803-H858 AromaticContact CE1-CE1 3.79Å; Y803-H858 AromaticContact CE1-ND1 3.59Å; Y803-L861 HydrophobicContact CE1-CB 4.33Å; Y803-L861 HydrophobicContact CE1-CD2 4.48Å | ||
| 804 | T | 92.1 | Very high | 93.2 | Very high | 105 Ų | 105 | 51.9 Ų | 51.9 | 64% | 0.644 | 29% | 0.286 | S | S | * | . | trans | -114.3 | -13.9 | -177.4 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | R799 A802 D808 | R799-T804 PolarHBondContact NH1-OG1 3.26Å; A802-T804 PolarHBondContact O-N 3.41Å; T804-D808 PolarHBondContact N-OD2 2.86Å | ||
| 805 | M | 94.4 | Very high | 93.9 | Very high | 45 Ų | 45 | 44.3 Ų | 44.3 | 22% | 0.222 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -114.8 | 142.5 | -179 | -59.9 | -169.5 | 74 | 0 | 0 | 110.8 | A807 D808 F809 C853 | M805-A807 PolarHBondContact O-N 3.45Å; M805-D808 PolarHBondContact N-OD2 3.31Å; M805-D808 VanDerWaalsContact N-OD2 3.11Å; M805-D808 VanDerWaalsContact O-CB 3.28Å; M805-D808 WeakPolarHBondContact O-CB 3.44Å; M805-D808 PolarHBondContact O-N 3.21Å; M805-F809 WeakPolarHBondContact O-CD2 3.39Å; M805-C853 HydrophobicContact SD-CB 4.29Å |
| 806 | H | 95.5 | Very high | 94.8 | Very high | 16 Ų | 16 | 38.5 Ų | 38.5 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.5 | -38.8 | 173.6 | 171.4 | -105.6 | 0 | 0 | 0 | 112.4 | D808 F809 V810 Q914 K1045 N1046 | H806-D808 PolarHBondContact O-N 3.37Å; H806-F809 PolarHBondContact O-N 2.91Å; H806-F809 VanDerWaalsContact O-N 3.14Å; H806-V810 WeakPolarHBondContact CE1-CG2 3.44Å; H806-V810 PolarHBondContact O-N 3.41Å; H806-V810 VanDerWaalsContact O-N 3.13Å; H806-Q914 PolarHBondContact NE2-OE1 2.74Å; H806-K1045 HydrophobicContact CB-CB 3.79Å; H806-K1045 HydrophobicContact CB-CD 4.25Å; H806-N1046 PolarHBondContact ND1-ND2 3.36Å |
| 807 | A | 96.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 2% | 0.017 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.4 | -28.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M805 F811 Y849 V852 | M805-A807 PolarHBondContact O-N 3.45Å; A807-F811 VanDerWaalsContact O-CB 3.28Å; A807-F811 WeakPolarHBondContact O-CB 3.36Å; A807-F811 PolarHBondContact O-N 2.86Å; A807-Y849 HydrophobicContact CB-CD2 4.04Å; A807-Y849 HydrophobicContact CB-CE2 4.18Å; A807-Y849 WeakPolarHBondContact O-CD2 3.42Å; A807-V852 HydrophobicContact CB-CB 4.19Å; A807-V852 HydrophobicContact CB-CG1 3.69Å |
| 808 | D | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.8 | -46.8 | 176.1 | -61.2 | -31.9 | 0 | 0 | 0 | 110.4 | R799 Y803 T804 M805 H806 F811 E812 Y849 L861 | R799-D808 IonicContact CZ-OD1 3.35Å; R799-D808 IonicContact CZ-OD2 2.9Å; R799-D808 IonicContact NH1-OD1 2.6Å; R799-D808 IonicContact NH1-OD2 3.92Å; R799-D808 PolarHBondContact NH1-OD2 3.03Å; R799-D808 IonicContact NH2-OD1 3.36Å; R799-D808 PolarHBondContact NH2-OD1 3.23Å; R799-D808 IonicContact NH2-OD2 2.67Å; R799-D808 PolarHBondContact NH2-OD2 3.05Å; Y803-D808 HydrophobicContact CD1-CB 3.99Å; Y803-D808 HydrophobicContact CD2-CB 4.05Å; Y803-D808 HydrophobicContact CG-CB 3.66Å; T804-D808 PolarHBondContact N-OD2 2.86Å; M805-D808 PolarHBondContact N-OD2 3.31Å; M805-D808 VanDerWaalsContact N-OD2 3.11Å; M805-D808 VanDerWaalsContact O-CB 3.28Å; M805-D808 WeakPolarHBondContact O-CB 3.44Å; M805-D808 PolarHBondContact O-N 3.21Å; H806-D808 PolarHBondContact O-N 3.37Å; D808-F811 PolarHBondContact O-N 3.34Å; D808-E812 WeakPolarHBondContact O-CB 3.18Å; D808-E812 PolarHBondContact O-N 3.45Å; D808-Y849 WeakPolarHBondContact OD1-CE2 3.35Å; D808-Y849 PolarHBondContact OD1-OH 3.1Å; D808-L861 HydrophobicContact CB-CD2 4.23Å; D808-L861 VanDerWaalsContact O-CD2 3.29Å; D808-L861 WeakPolarHBondContact O-CD2 3.36Å |
| 809 | F | 98 | Very high | 96.6 | Very high | 91 Ų | 91 | 32.5 Ų | 32.5 | 40% | 0.399 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67.5 | -40.7 | 179.5 | -60.5 | -84.9 | 0 | 0 | 0 | 111.9 | Y803 M805 H806 N813 L911 | Y803-F809 AromaticContact CD2-CD1 3.95Å; Y803-F809 HydrophobicContact CD2-CD1 3.95Å; Y803-F809 AromaticContact CD2-CE1 3.88Å; Y803-F809 HydrophobicContact CD2-CE1 3.88Å; Y803-F809 HydrophobicContact CD2-CG 4.4Å; Y803-F809 HydrophobicContact CD2-CZ 4.27Å; Y803-F809 HydrophobicContact CG-CE1 4.48Å; Y803-F809 HydrophobicContact CG-CZ 4.45Å; M805-F809 WeakPolarHBondContact O-CD2 3.39Å; H806-F809 PolarHBondContact O-N 2.91Å; H806-F809 VanDerWaalsContact O-N 3.14Å; F809-N813 VanDerWaalsContact O-CB 3.27Å; F809-N813 WeakPolarHBondContact O-CB 3.4Å; F809-N813 PolarHBondContact O-N 2.7Å; F809-N813 VanDerWaalsContact O-N 3.1Å; F809-L911 HydrophobicContact CB-CD1 4.35Å; F809-L911 HydrophobicContact CB-CD2 4.5Å |
| 810 | V | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.9 | -47.9 | 176.9 | 179.4 | 0 | 0 | 0 | 0 | 110.5 | H806 N813 E814 | H806-V810 WeakPolarHBondContact CE1-CG2 3.44Å; H806-V810 PolarHBondContact O-N 3.41Å; H806-V810 VanDerWaalsContact O-N 3.13Å; V810-N813 WeakPolarHBondContact O-CB 3.1Å; V810-N813 PolarHBondContact O-N 2.69Å; V810-E814 HydrophobicContact CG1-CG 4.35Å; V810-E814 WeakPolarHBondContact O-CG 3.35Å; V810-E814 PolarHBondContact O-N 3.35Å |
| 811 | F | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.7 | -39.4 | -177.6 | -178.3 | -127.6 | 0 | 0 | 0 | 112.6 | A807 D808 N813 E814 I815 H845 R846 Y849 L861 Y865 | A807-F811 VanDerWaalsContact O-CB 3.28Å; A807-F811 WeakPolarHBondContact O-CB 3.36Å; A807-F811 PolarHBondContact O-N 2.86Å; D808-F811 PolarHBondContact O-N 3.34Å; F811-N813 VanDerWaalsContact C-N 3.26Å; F811-N813 PolarHBondContact O-N 2.99Å; F811-E814 WeakPolarHBondContact CA-OE2 3.43Å; F811-E814 PolarHBondContact O-N 3.32Å; F811-I815 HydrophobicContact CD1-CD1 4.12Å; F811-I815 HydrophobicContact CD2-CG1 4.45Å; F811-I815 HydrophobicContact CE1-CD1 3.79Å; F811-I815 HydrophobicContact CE2-CD1 4.26Å; F811-I815 HydrophobicContact CE2-CG1 4.13Å; F811-I815 HydrophobicContact CZ-CD1 3.87Å; F811-I815 HydrophobicContact CZ-CG1 4.19Å; F811-I815 WeakPolarHBondContact O-CG1 3.38Å; F811-I815 PolarHBondContact O-N 3.09Å; F811-H845 HydrophobicContact CD2-CB 4.1Å; F811-H845 HydrophobicContact CE2-CB 3.89Å; F811-R846 HydrophobicContact CE2-CB 4.25Å; F811-R846 HydrophobicContact CZ-CB 4Å; F811-Y849 HydrophobicContact CB-CD1 4.38Å; F811-Y849 HydrophobicContact CB-CD2 3.56Å; F811-Y849 HydrophobicContact CB-CE2 4.16Å; F811-Y849 HydrophobicContact CB-CG 3.7Å; F811-Y849 AromaticContact CD1-CD1 3.25Å; F811-Y849 HydrophobicContact CD1-CD1 3.25Å; F811-Y849 AromaticContact CD1-CD2 4Å; F811-Y849 HydrophobicContact CD1-CD2 4Å; F811-Y849 AromaticContact CD1-CE1 3.64Å; F811-Y849 HydrophobicContact CD1-CE1 3.64Å; F811-Y849 HydrophobicContact CD1-CE2 4.34Å; F811-Y849 AromaticContact CD1-CG 3.45Å; F811-Y849 HydrophobicContact CD1-CG 3.45Å; F811-Y849 VanDerWaalsContact CD1-CG 3.45Å; F811-Y849 HydrophobicContact CD2-CG 4.23Å; F811-Y849 AromaticContact CE1-CD1 3.53Å; F811-Y849 HydrophobicContact CE1-CD1 3.53Å; F811-Y849 HydrophobicContact CE1-CE1 4.02Å; F811-Y849 HydrophobicContact CE1-CG 4.09Å; F811-Y849 AromaticContact CG-CD1 3.86Å; F811-Y849 HydrophobicContact CG-CD1 3.86Å; F811-Y849 AromaticContact CG-CD2 3.94Å; F811-Y849 HydrophobicContact CG-CD2 3.94Å; F811-Y849 AromaticContact CG-CG 3.53Å; F811-Y849 HydrophobicContact CG-CG 3.53Å; F811-Y849 HydrophobicContact CZ-CD1 4.33Å; F811-L861 HydrophobicContact CB-CD2 4.36Å; F811-L861 HydrophobicContact CD1-CD1 4.4Å; F811-L861 HydrophobicContact CD1-CD2 3.76Å; F811-L861 HydrophobicContact CD1-CG 3.78Å; F811-L861 HydrophobicContact CE1-CG 4.23Å; F811-Y865 HydrophobicContact CE1-CG 4.43Å; F811-Y865 HydrophobicContact CE2-CD2 4.28Å; F811-Y865 AromaticContact CZ-CD2 3.59Å; F811-Y865 HydrophobicContact CZ-CD2 3.59Å; F811-Y865 HydrophobicContact CZ-CE2 4.41Å; F811-Y865 AromaticContact CZ-CG 3.85Å; F811-Y865 HydrophobicContact CZ-CG 3.85Å |
| 812 | E | 98.6 | Very high | 97.5 | Very high | 31 Ų | 31 | 28.2 Ų | 28.2 | 15% | 0.145 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.1 | -43 | 171.4 | -179 | 168.6 | -109.2 | 0 | 0 | 112 | Y803 D808 I815 N816 L861 R864 S904 | Y803-E812 HydrophobicContact CE2-CB 4.3Å; Y803-E812 WeakPolarHBondContact CE2-OE2 3.37Å; Y803-E812 PolarHBondContact OH-OE1 3.49Å; D808-E812 WeakPolarHBondContact O-CB 3.18Å; D808-E812 PolarHBondContact O-N 3.45Å; E812-I815 WeakPolarHBondContact O-CB 3.5Å; E812-I815 PolarHBondContact O-N 3.08Å; E812-N816 PolarHBondContact O-N 3.4Å; E812-L861 HydrophobicContact CB-CD1 3.84Å; E812-L861 HydrophobicContact CB-CD2 4.42Å; E812-L861 HydrophobicContact CG-CD1 4.27Å; E812-R864 VanDerWaalsContact CG-NH1 3.29Å; E812-R864 IonicContact OE1-NH1 3.35Å; E812-R864 PolarHBondContact OE1-NH1 3.5Å; E812-S904 VanDerWaalsContact CD-OG 3.27Å; E812-S904 WeakPolarHBondContact CG-OG 3.4Å; E812-S904 PolarHBondContact OE1-OG 2.63Å |
| 813 | N | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.4 | -35.3 | 179.1 | -170.8 | 56.4 | 0 | 0 | 0 | 112.7 | F809 V810 F811 I815 N816 H817 V907 D908 L911 L912 | F809-N813 VanDerWaalsContact O-CB 3.27Å; F809-N813 WeakPolarHBondContact O-CB 3.4Å; F809-N813 PolarHBondContact O-N 2.7Å; F809-N813 VanDerWaalsContact O-N 3.1Å; V810-N813 WeakPolarHBondContact O-CB 3.1Å; V810-N813 PolarHBondContact O-N 2.69Å; F811-N813 VanDerWaalsContact C-N 3.26Å; F811-N813 PolarHBondContact O-N 2.99Å; N813-I815 VanDerWaalsContact C-N 3.35Å; N813-N816 PolarHBondContact O-N 3.32Å; N813-H817 WeakPolarHBondContact O-CB 3.22Å; N813-H817 PolarHBondContact O-N 3.08Å; N813-V907 WeakPolarHBondContact OD1-CA 3.4Å; N813-D908 PolarHBondContact ND2-O 3.02Å; N813-D908 PolarHBondContact OD1-N 2.91Å; N813-L911 HydrophobicContact CB-CB 4.35Å; N813-L911 HydrophobicContact CB-CD1 4.26Å; N813-L911 WeakPolarHBondContact ND2-CB 3.18Å; N813-L912 WeakPolarHBondContact ND2-CG 3.08Å |
| 814 | E | 98.7 | Very high | 97.8 | Very high | 12 Ų | 12 | 30 Ų | 30 | 6% | 0.056 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.8 | -39.4 | 171.4 | -74.7 | 171 | 150.4 | 0 | 0 | 111.7 | V810 F811 H817 T818 H845 R848 L912 | V810-E814 HydrophobicContact CG1-CG 4.35Å; V810-E814 WeakPolarHBondContact O-CG 3.35Å; V810-E814 PolarHBondContact O-N 3.35Å; F811-E814 WeakPolarHBondContact CA-OE2 3.43Å; F811-E814 PolarHBondContact O-N 3.32Å; E814-H817 PolarHBondContact O-N 2.88Å; E814-T818 WeakPolarHBondContact O-CB 3.48Å; E814-T818 PolarHBondContact O-N 3.01Å; E814-T818 PolarHBondContact O-OG1 2.86Å; E814-H845 HydrophobicContact CB-CB 4.37Å; E814-H845 IonicContact OE1-CD2 3.32Å; E814-R848 IonicContact OE1-CZ 3.1Å; E814-R848 VanDerWaalsContact OE1-CZ 3.25Å; E814-R848 IonicContact OE1-NE 3.39Å; E814-R848 PolarHBondContact OE1-NE 2.84Å; E814-R848 IonicContact OE1-NH2 2.78Å; E814-R848 PolarHBondContact OE1-NH2 3.32Å; E814-R848 IonicContact OE2-CZ 2.71Å; E814-R848 IonicContact OE2-NE 3.37Å; E814-R848 IonicContact OE2-NH2 3.25Å; E814-R848 PolarHBondContact OE2-NH2 3.36Å; E814-L912 HydrophobicContact CG-CD2 4.05Å |
| 815 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.6 | -49.6 | 172.7 | -68.5 | 167.4 | 0 | 0 | 0 | 110.1 | F811 E812 N813 H817 T818 I819 L842 L861 I868 | F811-I815 HydrophobicContact CD1-CD1 4.12Å; F811-I815 HydrophobicContact CD2-CG1 4.45Å; F811-I815 HydrophobicContact CE1-CD1 3.79Å; F811-I815 HydrophobicContact CE2-CD1 4.26Å; F811-I815 HydrophobicContact CE2-CG1 4.13Å; F811-I815 HydrophobicContact CZ-CD1 3.87Å; F811-I815 HydrophobicContact CZ-CG1 4.19Å; F811-I815 WeakPolarHBondContact O-CG1 3.38Å; F811-I815 PolarHBondContact O-N 3.09Å; E812-I815 WeakPolarHBondContact O-CB 3.5Å; E812-I815 PolarHBondContact O-N 3.08Å; N813-I815 VanDerWaalsContact C-N 3.35Å; I815-H817 VanDerWaalsContact C-N 3.3Å; I815-H817 PolarHBondContact O-N 3.01Å; I815-T818 WeakPolarHBondContact O-CB 3.35Å; I815-T818 PolarHBondContact O-N 2.78Å; I815-I819 HydrophobicContact CG2-CD1 4.2Å; I815-I819 WeakPolarHBondContact O-CG1 3.42Å; I815-I819 PolarHBondContact O-N 3.33Å; I815-L842 HydrophobicContact CG1-CD1 4.3Å; I815-L861 HydrophobicContact CD1-CD1 3.95Å; I815-I868 HydrophobicContact CG2-CB 4.22Å; I815-I868 HydrophobicContact CG2-CG1 3.75Å; I815-I868 HydrophobicContact CG2-CG2 4.07Å |
| 816 | N | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.2 | -42 | 177.8 | -69.1 | -25.6 | 0 | 0 | 0 | 111.6 | E812 N813 I819 E820 R864 L903 S904 C905 V907 | E812-N816 PolarHBondContact O-N 3.4Å; N813-N816 PolarHBondContact O-N 3.32Å; N816-I819 WeakPolarHBondContact O-CB 3.42Å; N816-I819 PolarHBondContact O-N 2.87Å; N816-E820 PolarHBondContact O-N 3.14Å; N816-R864 PolarHBondContact OD1-NH2 3.35Å; N816-L903 HydrophobicContact CB-CG 4.3Å; N816-S904 PolarHBondContact ND2-OG 2.8Å; N816-S904 PolarHBondContact OD1-N 2.97Å; N816-S904 VanDerWaalsContact OD1-N 3.09Å; N816-S904 PolarHBondContact OD1-OG 3.44Å; N816-C905 PolarHBondContact ND2-N 3.19Å; N816-C905 PolarHBondContact ND2-O 2.91Å; N816-C905 PolarHBondContact ND2-SG 2.89Å; N816-V907 HydrophobicContact CB-CG2 3.91Å |
| 817 | H | 98.6 | Very high | 98.4 | Very high | 41 Ų | 41 | 25.4 Ų | 25.4 | 19% | 0.19 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.6 | -39.6 | 176.9 | -169.3 | 37 | 0 | 0 | 0 | 112.5 | N813 E814 I815 I819 E820 L821 V907 R909 L912 | N813-H817 WeakPolarHBondContact O-CB 3.22Å; N813-H817 PolarHBondContact O-N 3.08Å; E814-H817 PolarHBondContact O-N 2.88Å; I815-H817 VanDerWaalsContact C-N 3.3Å; I815-H817 PolarHBondContact O-N 3.01Å; H817-I819 VanDerWaalsContact C-N 3.3Å; H817-I819 PolarHBondContact O-N 3.17Å; H817-E820 IonicContact ND1-OE2 3.49Å; H817-E820 PolarHBondContact O-N 3.19Å; H817-L821 WeakPolarHBondContact O-CG 3.5Å; H817-L821 PolarHBondContact O-N 3.13Å; H817-V907 HydrophobicContact CB-CG1 3.81Å; H817-V907 HydrophobicContact CB-CG2 4.22Å; H817-R909 PolarHBondContact CE1-NH1 3.25Å; H817-R909 PolarHBondContact ND1-NH1 3.33Å; H817-R909 VanDerWaalsContact ND1-NH1 3.14Å; H817-L912 HydrophobicContact CB-CD1 4.27Å; H817-L912 HydrophobicContact CB-CD2 4.24Å |
| 818 | T | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.018 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.8 | -40.8 | 175.3 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | E814 I815 L821 A822 I837 L842 L872 | E814-T818 WeakPolarHBondContact O-CB 3.48Å; E814-T818 PolarHBondContact O-N 3.01Å; E814-T818 PolarHBondContact O-OG1 2.86Å; I815-T818 WeakPolarHBondContact O-CB 3.35Å; I815-T818 PolarHBondContact O-N 2.78Å; T818-L821 PolarHBondContact O-N 3.1Å; T818-A822 WeakPolarHBondContact O-CB 3.32Å; T818-A822 PolarHBondContact O-N 3.02Å; T818-I837 HydrophobicContact CG2-CG2 3.76Å; T818-L842 HydrophobicContact CG2-CB 4.06Å; T818-L842 HydrophobicContact CG2-CD1 4Å; T818-L842 HydrophobicContact CG2-CD2 3.97Å; T818-L842 HydrophobicContact CG2-CG 4.2Å; T818-L872 HydrophobicContact CG2-CD1 4.1Å |
| 819 | I | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 174.6 | -65.2 | 164.9 | 0 | 0 | 0 | 110.8 | I815 N816 H817 D823 I868 L872 P901 L903 | I815-I819 HydrophobicContact CG2-CD1 4.2Å; I815-I819 WeakPolarHBondContact O-CG1 3.42Å; I815-I819 PolarHBondContact O-N 3.33Å; N816-I819 WeakPolarHBondContact O-CB 3.42Å; N816-I819 PolarHBondContact O-N 2.87Å; H817-I819 VanDerWaalsContact C-N 3.3Å; H817-I819 PolarHBondContact O-N 3.17Å; I819-D823 WeakPolarHBondContact O-CB 3.35Å; I819-D823 PolarHBondContact O-N 3.46Å; I819-I868 HydrophobicContact CD1-CD1 3.81Å; I819-I868 HydrophobicContact CD1-CG1 4.31Å; I819-I868 HydrophobicContact CD1-CG2 4.22Å; I819-I868 HydrophobicContact CG1-CD1 4.49Å; I819-I868 HydrophobicContact CG1-CG2 3.89Å; I819-L872 HydrophobicContact CG1-CD1 4.23Å; I819-P901 HydrophobicContact CD1-CB 4.04Å; I819-P901 HydrophobicContact CD1-CG 4.14Å; I819-P901 HydrophobicContact CG1-CB 4.45Å; I819-P901 HydrophobicContact CG1-CG 4Å; I819-P901 HydrophobicContact CG2-CG 4.15Å; I819-P901 WeakPolarHBondContact CG2-O 3.27Å; I819-L903 HydrophobicContact CG2-CD1 3.97Å |
| 820 | E | 98.3 | Very high | 98.2 | Very high | 53 Ų | 53 | 29 Ų | 29 | 25% | 0.248 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -44.2 | 177.6 | -70 | -170.9 | 153.2 | 0 | 0 | 112.8 | N816 H817 K824 L903 V907 R909 | N816-E820 PolarHBondContact O-N 3.14Å; H817-E820 IonicContact ND1-OE2 3.49Å; H817-E820 PolarHBondContact O-N 3.19Å; E820-K824 WeakPolarHBondContact O-CG 3.49Å; E820-K824 PolarHBondContact O-N 3.41Å; E820-L903 HydrophobicContact CG-CD2 3.99Å; E820-V907 VanDerWaalsContact CD-CG2 3.43Å; E820-V907 HydrophobicContact CG-CG2 4.01Å; E820-V907 WeakPolarHBondContact OE2-CG2 3.34Å; E820-R909 IonicContact OE2-NH2 2.64Å; E820-R909 PolarHBondContact OE2-NH2 3.27Å |
| 821 | L | 98.7 | Very high | 98.2 | Very high | 53 Ų | 53 | 29 Ų | 29 | 28% | 0.277 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -69.5 | -42.4 | -178.5 | -69.2 | 179.7 | 0 | 0 | 0 | 111.5 | H817 T818 D823 K824 A825 I837 | H817-L821 WeakPolarHBondContact O-CG 3.5Å; H817-L821 PolarHBondContact O-N 3.13Å; T818-L821 PolarHBondContact O-N 3.1Å; L821-D823 VanDerWaalsContact C-N 3.34Å; L821-D823 PolarHBondContact O-N 3.36Å; L821-K824 PolarHBondContact O-N 2.84Å; L821-A825 WeakPolarHBondContact O-CB 3.35Å; L821-A825 PolarHBondContact O-N 2.98Å; L821-I837 HydrophobicContact CB-CD1 3.89Å; L821-I837 HydrophobicContact CB-CG1 4.44Å; L821-I837 HydrophobicContact CB-CG2 4.08Å |
| 822 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.8 | -42.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T818 K824 A825 Y826 I837 V838 L872 W900 | T818-A822 WeakPolarHBondContact O-CB 3.32Å; T818-A822 PolarHBondContact O-N 3.02Å; A822-K824 VanDerWaalsContact C-N 3.33Å; A822-K824 PolarHBondContact O-N 3.17Å; A822-A825 PolarHBondContact O-N 3.29Å; A822-Y826 WeakPolarHBondContact O-CB 3.33Å; A822-Y826 VanDerWaalsContact O-CD2 3.31Å; A822-Y826 WeakPolarHBondContact O-CD2 3.4Å; A822-Y826 PolarHBondContact O-N 2.77Å; A822-I837 HydrophobicContact CB-CG2 4.37Å; A822-V838 HydrophobicContact CB-CG2 3.63Å; A822-L872 HydrophobicContact CB-CD1 4.18Å; A822-L872 HydrophobicContact CB-CD2 4.21Å; A822-W900 HydrophobicContact CB-CH2 4.23Å; A822-W900 HydrophobicContact CB-CZ2 4.1Å |
| 823 | D | 98.7 | Very high | 98.1 | Very high | 45 Ų | 45 | 37.1 Ų | 37.1 | 24% | 0.241 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.8 | -45.2 | 178.4 | -161 | 45.5 | 0 | 0 | 0 | 111 | Y74 K78 I819 L821 A827 W900 | Y74-D823 WeakPolarHBondContact CE2-OD1 3.33Å; Y74-D823 PolarHBondContact OH-O 3.42Å; Y74-D823 PolarHBondContact OH-OD1 3.06Å; K78-D823 VanDerWaalsContact NZ-CG 3.26Å; K78-D823 IonicContact NZ-OD1 3.66Å; K78-D823 PolarHBondContact NZ-OD1 3.43Å; K78-D823 IonicContact NZ-OD2 2.99Å; K78-D823 PolarHBondContact NZ-OD2 3.23Å; I819-D823 WeakPolarHBondContact O-CB 3.35Å; I819-D823 PolarHBondContact O-N 3.46Å; L821-D823 VanDerWaalsContact C-N 3.34Å; L821-D823 PolarHBondContact O-N 3.36Å; D823-A827 VanDerWaalsContact O-CB 3.22Å; D823-A827 WeakPolarHBondContact O-CB 3.42Å; D823-A827 PolarHBondContact O-N 3.32Å; D823-W900 HydrophobicContact CB-CZ2 3.81Å |
| 824 | K | 98.4 | Very high | 98.1 | Very high | 129 Ų | 129 | 37.1 Ų | 37.1 | 56% | 0.561 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -62.2 | -48 | 176 | -70.8 | 173 | -175.3 | 175.4 | 0 | 112.2 | E820 L821 A822 A827 A828 | E820-K824 WeakPolarHBondContact O-CG 3.49Å; E820-K824 PolarHBondContact O-N 3.41Å; L821-K824 PolarHBondContact O-N 2.84Å; A822-K824 VanDerWaalsContact C-N 3.33Å; A822-K824 PolarHBondContact O-N 3.17Å; K824-A827 PolarHBondContact O-N 2.73Å; K824-A828 WeakPolarHBondContact O-CB 3.17Å; K824-A828 PolarHBondContact O-N 3.03Å |
| 825 | A | 98.6 | Very high | 98 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.5 | -40.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L821 A822 A828 Q829 E830 E833 V834 I837 | L821-A825 WeakPolarHBondContact O-CB 3.35Å; L821-A825 PolarHBondContact O-N 2.98Å; A822-A825 PolarHBondContact O-N 3.29Å; A825-A828 CarbonylContact O-C 3.32Å; A825-A828 PolarHBondContact O-N 2.84Å; A825-Q829 PolarHBondContact O-N 2.88Å; A825-Q829 VanDerWaalsContact O-N 3.07Å; A825-E830 PolarHBondContact O-N 3.5Å; A825-E833 HydrophobicContact CB-CB 4.39Å; A825-E833 HydrophobicContact CB-CG 4.36Å; A825-V834 HydrophobicContact CB-CG2 3.59Å; A825-I837 HydrophobicContact CB-CD1 4.11Å |
| 826 | Y | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.6 | -44.6 | 173.7 | -89 | -67.4 | 0 | 0 | 0 | 112.2 | Y74 A822 A828 Q829 Y831 V834 L872 P875 I876 W900 | Y74-Y826 HydrophobicContact CD2-CD1 4.19Å; Y74-Y826 AromaticContact CD2-CD2 3.96Å; Y74-Y826 HydrophobicContact CD2-CD2 3.96Å; Y74-Y826 AromaticContact CD2-CG 3.62Å; Y74-Y826 HydrophobicContact CD2-CG 3.62Å; Y74-Y826 HydrophobicContact CE2-CD2 4.44Å; Y74-Y826 HydrophobicContact CE2-CG 4.18Å; Y74-Y826 AromaticContact CG-CD1 3.98Å; Y74-Y826 HydrophobicContact CG-CD1 3.98Å; Y74-Y826 AromaticContact CG-CG 3.83Å; Y74-Y826 HydrophobicContact CG-CG 3.83Å; A822-Y826 WeakPolarHBondContact O-CB 3.33Å; A822-Y826 VanDerWaalsContact O-CD2 3.31Å; A822-Y826 WeakPolarHBondContact O-CD2 3.4Å; A822-Y826 PolarHBondContact O-N 2.77Å; Y826-A828 PolarHBondContact O-N 3.05Å; Y826-Q829 WeakPolarHBondContact O-CA 3.43Å; Y826-Q829 PolarHBondContact O-N 3.36Å; Y826-Y831 HydrophobicContact CD1-CD1 4.13Å; Y826-Y831 AromaticContact CD1-CE1 3.95Å; Y826-Y831 HydrophobicContact CD1-CE1 3.95Å; Y826-Y831 HydrophobicContact CE1-CD1 4.15Å; Y826-Y831 HydrophobicContact CE1-CE1 4.24Å; Y826-V834 HydrophobicContact CD1-CG1 4.3Å; Y826-V834 HydrophobicContact CD1-CG2 3.91Å; Y826-V834 HydrophobicContact CD2-CG1 3.86Å; Y826-V834 HydrophobicContact CD2-CG2 3.82Å; Y826-V834 HydrophobicContact CE1-CG1 3.77Å; Y826-V834 HydrophobicContact CE1-CG2 4.19Å; Y826-V834 HydrophobicContact CE2-CB 4.39Å; Y826-V834 HydrophobicContact CE2-CG1 3.3Å; Y826-V834 HydrophobicContact CE2-CG2 4.14Å; Y826-V834 HydrophobicContact CG-CG1 4.35Å; Y826-V834 HydrophobicContact CG-CG2 3.72Å; Y826-V834 WeakPolarHBondContact OH-CG1 3.15Å; Y826-L872 WeakPolarHBondContact CE2-O 3.47Å; Y826-L872 PolarHBondContact OH-O 3.39Å; Y826-P875 HydrophobicContact CE1-CB 3.79Å; Y826-P875 HydrophobicContact CE1-CG 4.07Å; Y826-P875 HydrophobicContact CE2-CG 4.5Å; Y826-P875 WeakPolarHBondContact OH-CD 3.24Å; Y826-P875 WeakPolarHBondContact OH-CG 3.48Å; Y826-I876 HydrophobicContact CE1-CD1 4.46Å; Y826-I876 HydrophobicContact CE1-CG1 4.4Å; Y826-W900 AromaticContact CD2-CH2 3.58Å; Y826-W900 HydrophobicContact CD2-CH2 3.58Å; Y826-W900 HydrophobicContact CD2-CZ3 4.1Å; Y826-W900 AromaticContact CE2-CH2 3.9Å; Y826-W900 HydrophobicContact CE2-CH2 3.9Å; Y826-W900 HydrophobicContact CE2-CZ3 4.24Å |
| 827 | A | 96.8 | Very high | 98 | Very high | 61 Ų | 61 | 41.1 Ų | 41.1 | 50% | 0.504 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.4 | -35.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y74 D823 K824 Q829 | Y74-A827 HydrophobicContact CE1-CB 4.47Å; D823-A827 VanDerWaalsContact O-CB 3.22Å; D823-A827 WeakPolarHBondContact O-CB 3.42Å; D823-A827 PolarHBondContact O-N 3.32Å; K824-A827 PolarHBondContact O-N 2.73Å; A827-Q829 VanDerWaalsContact C-N 3.28Å |
| 828 | A | 95.5 | Very high | 98 | Very high | 53 Ų | 53 | 39.1 Ų | 39.1 | 44% | 0.438 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -7.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K824 A825 Y826 E830 | K824-A828 WeakPolarHBondContact O-CB 3.17Å; K824-A828 PolarHBondContact O-N 3.03Å; A825-A828 CarbonylContact O-C 3.32Å; A825-A828 PolarHBondContact O-N 2.84Å; Y826-A828 PolarHBondContact O-N 3.05Å; A828-E830 VanDerWaalsContact C-N 3.28Å; A828-E830 HydrophobicContact CB-CG 3.92Å; A828-E830 PolarHBondContact O-N 3.41Å |
| 829 | Q | 96.1 | Very high | 97.9 | Very high | 18 Ų | 18 | 39.1 Ų | 39.1 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 32.9 | -177.4 | -52.2 | 172.1 | 44.8 | 0 | 0 | 113.2 | N709 R711 A825 Y826 A827 Y831 | N709-Q829 PolarHBondContact ND2-NE2 3.45Å; R711-Q829 PolarHBondContact NH2-O 2.66Å; A825-Q829 PolarHBondContact O-N 2.88Å; A825-Q829 VanDerWaalsContact O-N 3.07Å; Y826-Q829 WeakPolarHBondContact O-CA 3.43Å; Y826-Q829 PolarHBondContact O-N 3.36Å; A827-Q829 VanDerWaalsContact C-N 3.28Å; Q829-Y831 HydrophobicContact CB-CE2 4.01Å; Q829-Y831 WeakPolarHBondContact O-CD2 3.43Å; Q829-Y831 WeakPolarHBondContact O-CE2 3.45Å; Q829-Y831 PolarHBondContact O-N 3.05Å |
| 830 | E | 96.4 | Very high | 97.8 | Very high | 98 Ų | 98 | 42.2 Ų | 42.2 | 46% | 0.458 | 21% | 0.209 | S | C | . | . | trans | -97.6 | 69.6 | 179.4 | -65 | 179.7 | 168.7 | 0 | 0 | 110.4 | A825 A828 R832 E833 V834 | A825-E830 PolarHBondContact O-N 3.5Å; A828-E830 VanDerWaalsContact C-N 3.28Å; A828-E830 HydrophobicContact CB-CG 3.92Å; A828-E830 PolarHBondContact O-N 3.41Å; E830-R832 VanDerWaalsContact C-N 3.26Å; E830-R832 PolarHBondContact O-N 2.92Å; E830-E833 HydrophobicContact CB-CB 4.08Å; E830-E833 WeakPolarHBondContact O-CB 3.38Å; E830-E833 PolarHBondContact O-N 2.98Å; E830-V834 WeakPolarHBondContact O-CG2 3.49Å; E830-V834 PolarHBondContact O-N 2.93Å | ||
| 831 | Y | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.9 | -24.3 | -171.6 | -54.3 | -70.8 | 0 | 0 | 0 | 114.4 | K67 F70 S71 D754 Y826 Q829 L835 | K67-Y831 HydrophobicContact CB-CE2 3.87Å; K67-Y831 HydrophobicContact CD-CD2 3.5Å; K67-Y831 VanDerWaalsContact CD-CD2 3.5Å; K67-Y831 HydrophobicContact CD-CE2 3.66Å; K67-Y831 HydrophobicContact CG-CE2 4.3Å; K67-Y831 PolarHBondContact O-OH 2.88Å; F70-Y831 HydrophobicContact CB-CD1 3.61Å; F70-Y831 HydrophobicContact CB-CE1 3.28Å; F70-Y831 HydrophobicContact CB-CE2 4.41Å; F70-Y831 HydrophobicContact CB-CG 4.31Å; F70-Y831 AromaticContact CD2-CD1 3.76Å; F70-Y831 HydrophobicContact CD2-CD1 3.76Å; F70-Y831 AromaticContact CD2-CD2 3.95Å; F70-Y831 HydrophobicContact CD2-CD2 3.95Å; F70-Y831 HydrophobicContact CD2-CE1 4.17Å; F70-Y831 HydrophobicContact CD2-CE2 4.32Å; F70-Y831 AromaticContact CD2-CG 3.63Å; F70-Y831 HydrophobicContact CD2-CG 3.63Å; F70-Y831 HydrophobicContact CE2-CG 4.45Å; F70-Y831 HydrophobicContact CG-CD1 4.1Å; F70-Y831 HydrophobicContact CG-CE1 4.21Å; F70-Y831 HydrophobicContact CG-CG 4.42Å; S71-Y831 WeakPolarHBondContact CB-OH 3.16Å; S71-Y831 PolarHBondContact N-OH 2.92Å; D754-Y831 WeakPolarHBondContact OD1-CD2 3.31Å; D754-Y831 PolarHBondContact OD2-N 3.49Å; Y826-Y831 HydrophobicContact CD1-CD1 4.13Å; Y826-Y831 AromaticContact CD1-CE1 3.95Å; Y826-Y831 HydrophobicContact CD1-CE1 3.95Å; Y826-Y831 HydrophobicContact CE1-CD1 4.15Å; Y826-Y831 HydrophobicContact CE1-CE1 4.24Å; Q829-Y831 HydrophobicContact CB-CE2 4.01Å; Q829-Y831 WeakPolarHBondContact O-CD2 3.43Å; Q829-Y831 WeakPolarHBondContact O-CE2 3.45Å; Q829-Y831 PolarHBondContact O-N 3.05Å; Y831-L835 WeakPolarHBondContact O-CB 3.49Å; Y831-L835 PolarHBondContact O-N 3.34Å |
| 832 | R | 97.2 | Very high | 97.8 | Very high | 137 Ų | 137 | 40.1 Ų | 40.1 | 52% | 0.517 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.1 | -42.8 | 170 | -173.9 | 174.2 | -168.5 | -161.9 | -4.5 | 111.5 | A750 D751 D754 E830 L835 K836 | A750-R832 WeakPolarHBondContact O-CA 3.2Å; A750-R832 WeakPolarHBondContact O-CB 3.49Å; A750-R832 PolarHBondContact O-N 2.96Å; D751-R832 VanDerWaalsContact O-CD 3.23Å; D751-R832 WeakPolarHBondContact O-CD 3.38Å; D751-R832 PolarHBondContact O-NE 3.16Å; D751-R832 IonicContact OD1-NE 2.83Å; D751-R832 PolarHBondContact OD1-NE 2.86Å; D754-R832 PolarHBondContact OD2-N 3.25Å; E830-R832 VanDerWaalsContact C-N 3.26Å; E830-R832 PolarHBondContact O-N 2.92Å; R832-L835 PolarHBondContact O-N 3.47Å; R832-K836 PolarHBondContact O-N 3.02Å |
| 833 | E | 98.1 | Very high | 97.8 | Very high | 66 Ų | 66 | 41.7 Ų | 41.7 | 31% | 0.308 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -71.2 | -40.1 | 178.1 | -170.1 | 61.7 | -167.5 | 0 | 0 | 110.7 | A825 E830 L835 K836 I837 | A825-E833 HydrophobicContact CB-CB 4.39Å; A825-E833 HydrophobicContact CB-CG 4.36Å; E830-E833 HydrophobicContact CB-CB 4.08Å; E830-E833 WeakPolarHBondContact O-CB 3.38Å; E830-E833 PolarHBondContact O-N 2.98Å; E833-L835 VanDerWaalsContact C-N 3.27Å; E833-L835 PolarHBondContact O-N 3.47Å; E833-K836 WeakPolarHBondContact O-CB 3.38Å; E833-K836 PolarHBondContact O-N 3.13Å; E833-K836 IonicContact OE1-NZ 3.11Å; E833-K836 PolarHBondContact OE1-NZ 3.21Å; E833-K836 IonicContact OE2-NZ 2.94Å; E833-K836 PolarHBondContact OE2-NZ 3.06Å; E833-I837 HydrophobicContact CG-CD1 3.8Å; E833-I837 WeakPolarHBondContact O-CD1 3.48Å; E833-I837 WeakPolarHBondContact O-CG1 3.46Å; E833-I837 PolarHBondContact O-N 2.85Å |
| 834 | V | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -52.3 | -48.6 | 168.7 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | A825 Y826 E830 K836 I837 V838 I876 | A825-V834 HydrophobicContact CB-CG2 3.59Å; Y826-V834 HydrophobicContact CD1-CG1 4.3Å; Y826-V834 HydrophobicContact CD1-CG2 3.91Å; Y826-V834 HydrophobicContact CD2-CG1 3.86Å; Y826-V834 HydrophobicContact CD2-CG2 3.82Å; Y826-V834 HydrophobicContact CE1-CG1 3.77Å; Y826-V834 HydrophobicContact CE1-CG2 4.19Å; Y826-V834 HydrophobicContact CE2-CB 4.39Å; Y826-V834 HydrophobicContact CE2-CG1 3.3Å; Y826-V834 HydrophobicContact CE2-CG2 4.14Å; Y826-V834 HydrophobicContact CG-CG1 4.35Å; Y826-V834 HydrophobicContact CG-CG2 3.72Å; Y826-V834 WeakPolarHBondContact OH-CG1 3.15Å; E830-V834 WeakPolarHBondContact O-CG2 3.49Å; E830-V834 PolarHBondContact O-N 2.93Å; V834-K836 VanDerWaalsContact C-N 3.35Å; V834-K836 PolarHBondContact O-N 3Å; V834-I837 PolarHBondContact O-N 3.25Å; V834-V838 HydrophobicContact CG1-CG2 4.11Å; V834-V838 VanDerWaalsContact O-CB 3.26Å; V834-V838 WeakPolarHBondContact O-CB 3.44Å; V834-V838 WeakPolarHBondContact O-CG2 3.42Å; V834-V838 PolarHBondContact O-N 3.3Å; V834-I876 HydrophobicContact CB-CD1 4.28Å; V834-I876 HydrophobicContact CG1-CD1 3.65Å |
| 835 | L | 97.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.7 | -42.4 | -178.3 | -176.5 | 64.6 | 0 | 0 | 0 | 111.6 | L747 D751 Y831 R832 E833 F839 Y840 | L747-L835 HydrophobicContact CD2-CD1 3.19Å; L747-L835 HydrophobicContact CD2-CD2 3.98Å; L747-L835 HydrophobicContact CD2-CG 4.23Å; D751-L835 HydrophobicContact CB-CD2 4.12Å; Y831-L835 WeakPolarHBondContact O-CB 3.49Å; Y831-L835 PolarHBondContact O-N 3.34Å; R832-L835 PolarHBondContact O-N 3.47Å; E833-L835 VanDerWaalsContact C-N 3.27Å; E833-L835 PolarHBondContact O-N 3.47Å; L835-F839 HydrophobicContact CD1-CB 3.46Å; L835-F839 VanDerWaalsContact CD1-CB 3.46Å; L835-F839 HydrophobicContact CD1-CD1 4.09Å; L835-F839 HydrophobicContact CD1-CG 3.95Å; L835-F839 HydrophobicContact CG-CB 4.29Å; L835-F839 WeakPolarHBondContact O-CA 3.32Å; L835-F839 WeakPolarHBondContact O-CB 3.06Å; L835-F839 PolarHBondContact O-N 3.44Å; L835-Y840 HydrophobicContact CD2-CE2 4.08Å; L835-Y840 HydrophobicContact CG-CD2 4.36Å; L835-Y840 HydrophobicContact CG-CE2 3.84Å; L835-Y840 WeakPolarHBondContact O-CD2 3.49Å; L835-Y840 PolarHBondContact O-N 3.28Å |
| 836 | K | 98 | Very high | 97.7 | Very high | 88 Ų | 88 | 38.6 Ų | 38.6 | 38% | 0.383 | 20% | 0.198 | S | C | . | . | I | π-helix | trans | -53.8 | -55.7 | 172.8 | -177.7 | -178 | 137 | -145.8 | 0 | 111.4 | R832 E833 V834 Y840 E841 | R832-K836 PolarHBondContact O-N 3.02Å; E833-K836 WeakPolarHBondContact O-CB 3.38Å; E833-K836 PolarHBondContact O-N 3.13Å; E833-K836 IonicContact OE1-NZ 3.11Å; E833-K836 PolarHBondContact OE1-NZ 3.21Å; E833-K836 IonicContact OE2-NZ 2.94Å; E833-K836 PolarHBondContact OE2-NZ 3.06Å; V834-K836 VanDerWaalsContact C-N 3.35Å; V834-K836 PolarHBondContact O-N 3Å; K836-Y840 WeakPolarHBondContact O-CB 3.28Å; K836-Y840 PolarHBondContact O-N 2.92Å; K836-E841 WeakPolarHBondContact CE-OE1 3.45Å; K836-E841 HydrophobicContact CG-CG 4.38Å; K836-E841 IonicContact NZ-OE1 3.99Å; K836-E841 WeakPolarHBondContact O-CG 3.45Å; K836-E841 PolarHBondContact O-N 2.88Å |
| 837 | I | 98.8 | Very high | 97.5 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -64.5 | -54.7 | -176.5 | -67.1 | 159 | 0 | 0 | 0 | 111.3 | T818 L821 A822 A825 E833 V834 L842 | T818-I837 HydrophobicContact CG2-CG2 3.76Å; L821-I837 HydrophobicContact CB-CD1 3.89Å; L821-I837 HydrophobicContact CB-CG1 4.44Å; L821-I837 HydrophobicContact CB-CG2 4.08Å; A822-I837 HydrophobicContact CB-CG2 4.37Å; A825-I837 HydrophobicContact CB-CD1 4.11Å; E833-I837 HydrophobicContact CG-CD1 3.8Å; E833-I837 WeakPolarHBondContact O-CD1 3.48Å; E833-I837 WeakPolarHBondContact O-CG1 3.46Å; E833-I837 PolarHBondContact O-N 2.85Å; V834-I837 PolarHBondContact O-N 3.25Å; I837-L842 PolarHBondContact O-N 3.19Å |
| 838 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -81.2 | -37.7 | -167.4 | 175.1 | 0 | 0 | 0 | 0 | 112.4 | A822 V834 L842 Q869 L872 L873 | A822-V838 HydrophobicContact CB-CG2 3.63Å; V834-V838 HydrophobicContact CG1-CG2 4.11Å; V834-V838 VanDerWaalsContact O-CB 3.26Å; V834-V838 WeakPolarHBondContact O-CB 3.44Å; V834-V838 WeakPolarHBondContact O-CG2 3.42Å; V834-V838 PolarHBondContact O-N 3.3Å; V838-L842 WeakPolarHBondContact O-CB 3.48Å; V838-Q869 PolarHBondContact O-NE2 2.89Å; V838-Q869 PolarHBondContact O-OE1 3.16Å; V838-L872 HydrophobicContact CB-CB 4.35Å; V838-L872 HydrophobicContact CG1-CB 3.49Å; V838-L872 VanDerWaalsContact CG1-CB 3.49Å; V838-L872 HydrophobicContact CG2-CB 3.87Å; V838-L872 HydrophobicContact CG2-CD1 4.33Å; V838-L873 HydrophobicContact CG1-CB 3.94Å; V838-L873 HydrophobicContact CG1-CD1 4.32Å |
| 839 | F | 97.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -96.2 | -40.4 | -174.7 | -169 | -116 | 0 | 0 | 0 | 112.5 | R772 L773 L776 L835 Q843 L873 | R772-F839 HydrophobicContact CB-CE1 3.8Å; R772-F839 HydrophobicContact CB-CZ 3.66Å; L773-F839 HydrophobicContact CD2-CE2 3.97Å; L773-F839 HydrophobicContact CD2-CZ 4.25Å; L773-F839 HydrophobicContact CG-CZ 4.48Å; L776-F839 HydrophobicContact CD2-CE2 4.1Å; L835-F839 HydrophobicContact CD1-CB 3.46Å; L835-F839 VanDerWaalsContact CD1-CB 3.46Å; L835-F839 HydrophobicContact CD1-CD1 4.09Å; L835-F839 HydrophobicContact CD1-CG 3.95Å; L835-F839 HydrophobicContact CG-CB 4.29Å; L835-F839 WeakPolarHBondContact O-CA 3.32Å; L835-F839 WeakPolarHBondContact O-CB 3.06Å; L835-F839 PolarHBondContact O-N 3.44Å; F839-Q843 VanDerWaalsContact CD2-NE2 3.25Å; F839-Q843 VanDerWaalsContact CE2-NE2 3.29Å; F839-Q843 WeakPolarHBondContact O-CB 3.48Å; F839-Q843 WeakPolarHBondContact O-CG 3.29Å; F839-Q843 PolarHBondContact O-NE2 3.38Å; F839-L873 HydrophobicContact CB-CD1 4.2Å; F839-L873 HydrophobicContact CD2-CD1 3.98Å; F839-L873 HydrophobicContact CD2-CD2 3.76Å; F839-L873 HydrophobicContact CE2-CD2 4.1Å; F839-L873 HydrophobicContact CG-CD1 4.44Å |
| 840 | Y | 96.6 | Very high | 97.4 | Very high | 67 Ų | 67 | 42.5 Ų | 42.5 | 26% | 0.263 | 19% | 0.193 | S | C | . | . | I | π-helix | trans | -94.6 | -53.9 | -175.5 | -62 | -73.3 | 0 | 0 | 0 | 112.5 | M765 L835 K836 A844 | M765-Y840 WeakPolarHBondContact CE-OH 3.48Å; L835-Y840 HydrophobicContact CD2-CE2 4.08Å; L835-Y840 HydrophobicContact CG-CD2 4.36Å; L835-Y840 HydrophobicContact CG-CE2 3.84Å; L835-Y840 WeakPolarHBondContact O-CD2 3.49Å; L835-Y840 PolarHBondContact O-N 3.28Å; K836-Y840 WeakPolarHBondContact O-CB 3.28Å; K836-Y840 PolarHBondContact O-N 2.92Å; Y840-A844 WeakPolarHBondContact O-CB 3.49Å; Y840-A844 PolarHBondContact O-N 3.42Å |
| 841 | E | 98.4 | Very high | 97.2 | Very high | 63 Ų | 63 | 42.3 Ų | 42.3 | 29% | 0.294 | 19% | 0.192 | S | C | . | . | I | π-helix | trans | -70.8 | -44.2 | -174.4 | -67 | 177 | 168 | 0 | 0 | 112.1 | K836 Q843 A844 H845 | K836-E841 WeakPolarHBondContact CE-OE1 3.45Å; K836-E841 HydrophobicContact CG-CG 4.38Å; K836-E841 IonicContact NZ-OE1 3.99Å; K836-E841 WeakPolarHBondContact O-CG 3.45Å; K836-E841 PolarHBondContact O-N 2.88Å; E841-Q843 VanDerWaalsContact C-N 3.31Å; E841-Q843 PolarHBondContact O-N 3.49Å; E841-A844 CarbonylContact O-C 3.55Å; E841-A844 WeakPolarHBondContact O-CA 3.39Å; E841-A844 WeakPolarHBondContact O-CB 3.4Å; E841-A844 PolarHBondContact O-N 2.81Å; E841-H845 VanDerWaalsContact O-CG 3.3Å; E841-H845 PolarHBondContact O-N 2.76Å; E841-H845 PolarHBondContact O-ND1 3.05Å |
| 842 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.1 | -41.8 | 176.9 | -172.3 | 50.5 | 0 | 0 | 0 | 112.5 | I815 T818 I837 V838 H845 R846 Y865 I868 Q869 L872 | I815-L842 HydrophobicContact CG1-CD1 4.3Å; T818-L842 HydrophobicContact CG2-CB 4.06Å; T818-L842 HydrophobicContact CG2-CD1 4Å; T818-L842 HydrophobicContact CG2-CD2 3.97Å; T818-L842 HydrophobicContact CG2-CG 4.2Å; I837-L842 PolarHBondContact O-N 3.19Å; V838-L842 WeakPolarHBondContact O-CB 3.48Å; L842-H845 PolarHBondContact O-N 3.4Å; L842-R846 PolarHBondContact O-N 3.35Å; L842-Y865 HydrophobicContact CD1-CD2 3.98Å; L842-Y865 HydrophobicContact CD1-CE2 4.01Å; L842-Y865 HydrophobicContact CD2-CE2 4.5Å; L842-Y865 HydrophobicContact CG-CD2 4.13Å; L842-Y865 HydrophobicContact CG-CE2 3.73Å; L842-Y865 WeakPolarHBondContact O-CE2 3.38Å; L842-I868 HydrophobicContact CD2-CG2 4.26Å; L842-Q869 HydrophobicContact CD2-CB 4.32Å; L842-L872 HydrophobicContact CD2-CD1 4.4Å |
| 843 | Q | 98.1 | Very high | 96.7 | Very high | 33 Ų | 33 | 36.1 Ų | 36.1 | 15% | 0.154 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.9 | -37.2 | 174.6 | -69.3 | -170 | 49.5 | 0 | 0 | 112 | F839 E841 R846 D847 Y865 | F839-Q843 VanDerWaalsContact CD2-NE2 3.25Å; F839-Q843 VanDerWaalsContact CE2-NE2 3.29Å; F839-Q843 WeakPolarHBondContact O-CB 3.48Å; F839-Q843 WeakPolarHBondContact O-CG 3.29Å; F839-Q843 PolarHBondContact O-NE2 3.38Å; E841-Q843 VanDerWaalsContact C-N 3.31Å; E841-Q843 PolarHBondContact O-N 3.49Å; Q843-R846 WeakPolarHBondContact O-CB 3.46Å; Q843-R846 PolarHBondContact O-N 3.03Å; Q843-D847 PolarHBondContact O-N 2.94Å; Q843-Y865 WeakPolarHBondContact CG-OH 3.3Å |
| 844 | A | 97.6 | Very high | 96.2 | Very high | 53 Ų | 53 | 37.7 Ų | 37.7 | 44% | 0.438 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.5 | -41.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y840 E841 R846 D847 R848 | Y840-A844 WeakPolarHBondContact O-CB 3.49Å; Y840-A844 PolarHBondContact O-N 3.42Å; E841-A844 CarbonylContact O-C 3.55Å; E841-A844 WeakPolarHBondContact O-CA 3.39Å; E841-A844 WeakPolarHBondContact O-CB 3.4Å; E841-A844 PolarHBondContact O-N 2.81Å; A844-R846 VanDerWaalsContact C-N 3.32Å; A844-R846 PolarHBondContact O-N 3Å; A844-D847 PolarHBondContact O-N 3.36Å; A844-R848 VanDerWaalsContact O-CB 3.24Å; A844-R848 WeakPolarHBondContact O-CB 3.39Å; A844-R848 PolarHBondContact O-N 3.3Å |
| 845 | H | 98.2 | Very high | 95.5 | Very high | 44 Ų | 44 | 39 Ų | 39 | 20% | 0.204 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.4 | -42.3 | 173 | -62.5 | 149.2 | 0 | 0 | 0 | 111.4 | F811 E814 E841 L842 R848 Y849 | F811-H845 HydrophobicContact CD2-CB 4.1Å; F811-H845 HydrophobicContact CE2-CB 3.89Å; E814-H845 HydrophobicContact CB-CB 4.37Å; E814-H845 IonicContact OE1-CD2 3.32Å; E841-H845 VanDerWaalsContact O-CG 3.3Å; E841-H845 PolarHBondContact O-N 2.76Å; E841-H845 PolarHBondContact O-ND1 3.05Å; L842-H845 PolarHBondContact O-N 3.4Å; H845-R848 PolarHBondContact O-N 3.49Å; H845-Y849 VanDerWaalsContact O-CB 3.3Å; H845-Y849 WeakPolarHBondContact O-CB 3.46Å; H845-Y849 PolarHBondContact O-N 3.01Å |
| 846 | R | 97.7 | Very high | 95.1 | Very high | 16 Ų | 16 | 40.4 Ų | 40.4 | 6% | 0.06 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.6 | -47.8 | 173.8 | 174.9 | -144.8 | 57.3 | -147.3 | -10.5 | 111.8 | W779 F811 L842 Q843 A844 R848 Y849 R850 I862 Y865 | W779-R846 VanDerWaalsContact CZ2-CD 3.43Å; W779-R846 HydrophobicContact CZ2-CG 4.41Å; F811-R846 HydrophobicContact CE2-CB 4.25Å; F811-R846 HydrophobicContact CZ-CB 4Å; L842-R846 PolarHBondContact O-N 3.35Å; Q843-R846 WeakPolarHBondContact O-CB 3.46Å; Q843-R846 PolarHBondContact O-N 3.03Å; A844-R846 VanDerWaalsContact C-N 3.32Å; A844-R846 PolarHBondContact O-N 3Å; R846-R848 VanDerWaalsContact C-N 3.34Å; R846-Y849 PolarHBondContact O-N 3.21Å; R846-R850 PolarHBondContact O-N 3.44Å; R846-I862 HydrophobicContact CG-CD1 3.98Å; R846-Y865 HydrophobicContact CB-CD2 4.08Å; R846-Y865 HydrophobicContact CB-CE1 4.17Å; R846-Y865 HydrophobicContact CB-CE2 3.54Å; R846-Y865 HydrophobicContact CG-CD1 4.24Å; R846-Y865 HydrophobicContact CG-CE1 3.9Å; R846-Y865 HydrophobicContact CG-CE2 4.19Å; R846-Y865 PolarHBondContact NH1-OH 3.42Å |
| 847 | D | 95.7 | Very high | 94.9 | Very high | 62 Ų | 62 | 36.4 Ų | 36.4 | 33% | 0.332 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.8 | -40.3 | -177.8 | -70.9 | -26.8 | 0 | 0 | 0 | 111.7 | Q843 A844 R850 E851 | Q843-D847 PolarHBondContact O-N 2.94Å; A844-D847 PolarHBondContact O-N 3.36Å; D847-R850 PolarHBondContact O-N 3.36Å; D847-R850 IonicContact OD1-NH1 3.01Å; D847-R850 PolarHBondContact OD1-NH1 3.17Å; D847-E851 PolarHBondContact O-N 2.86Å |
| 848 | R | 94.6 | Very high | 94.8 | Very high | 29 Ų | 29 | 36.2 Ų | 36.2 | 11% | 0.109 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59 | -48.9 | 171.3 | -172.2 | -167.7 | 84.4 | 71.7 | 7.8 | 111.6 | E814 A844 H845 R846 R850 E851 V852 D919 | E814-R848 IonicContact OE1-CZ 3.1Å; E814-R848 VanDerWaalsContact OE1-CZ 3.25Å; E814-R848 IonicContact OE1-NE 3.39Å; E814-R848 PolarHBondContact OE1-NE 2.84Å; E814-R848 IonicContact OE1-NH2 2.78Å; E814-R848 PolarHBondContact OE1-NH2 3.32Å; E814-R848 IonicContact OE2-CZ 2.71Å; E814-R848 IonicContact OE2-NE 3.37Å; E814-R848 IonicContact OE2-NH2 3.25Å; E814-R848 PolarHBondContact OE2-NH2 3.36Å; A844-R848 VanDerWaalsContact O-CB 3.24Å; A844-R848 WeakPolarHBondContact O-CB 3.39Å; A844-R848 PolarHBondContact O-N 3.3Å; H845-R848 PolarHBondContact O-N 3.49Å; R846-R848 VanDerWaalsContact C-N 3.34Å; R848-R850 VanDerWaalsContact C-N 3.32Å; R848-R850 PolarHBondContact O-N 2.98Å; R848-E851 WeakPolarHBondContact O-CB 3.33Å; R848-E851 PolarHBondContact O-N 3.3Å; R848-E851 VanDerWaalsContact O-N 3.13Å; R848-V852 WeakPolarHBondContact O-CG2 3.37Å; R848-V852 PolarHBondContact O-N 3.38Å; R848-D919 WeakPolarHBondContact CD-OD1 3.21Å; R848-D919 VanDerWaalsContact CD-OD2 3.26Å; R848-D919 WeakPolarHBondContact CD-OD2 3.45Å; R848-D919 IonicContact CZ-OD1 2.74Å; R848-D919 IonicContact NE-OD2 3.71Å; R848-D919 IonicContact NH1-OD1 3.68Å; R848-D919 PolarHBondContact NH1-OD1 2.69Å; R848-D919 VanDerWaalsContact NH1-OD1 3.08Å; R848-D919 IonicContact NH1-OD2 2.83Å |
| 849 | Y | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.4 | -44.8 | 175.8 | 172.9 | -120.9 | 0 | 0 | 0 | 111.7 | A807 D808 F811 H845 R846 E851 V852 C853 V857 H858 L861 | A807-Y849 HydrophobicContact CB-CD2 4.04Å; A807-Y849 HydrophobicContact CB-CE2 4.18Å; A807-Y849 WeakPolarHBondContact O-CD2 3.42Å; D808-Y849 WeakPolarHBondContact OD1-CE2 3.35Å; D808-Y849 PolarHBondContact OD1-OH 3.1Å; F811-Y849 HydrophobicContact CB-CD1 4.38Å; F811-Y849 HydrophobicContact CB-CD2 3.56Å; F811-Y849 HydrophobicContact CB-CE2 4.16Å; F811-Y849 HydrophobicContact CB-CG 3.7Å; F811-Y849 AromaticContact CD1-CD1 3.25Å; F811-Y849 HydrophobicContact CD1-CD1 3.25Å; F811-Y849 AromaticContact CD1-CD2 4Å; F811-Y849 HydrophobicContact CD1-CD2 4Å; F811-Y849 AromaticContact CD1-CE1 3.64Å; F811-Y849 HydrophobicContact CD1-CE1 3.64Å; F811-Y849 HydrophobicContact CD1-CE2 4.34Å; F811-Y849 AromaticContact CD1-CG 3.45Å; F811-Y849 HydrophobicContact CD1-CG 3.45Å; F811-Y849 VanDerWaalsContact CD1-CG 3.45Å; F811-Y849 HydrophobicContact CD2-CG 4.23Å; F811-Y849 AromaticContact CE1-CD1 3.53Å; F811-Y849 HydrophobicContact CE1-CD1 3.53Å; F811-Y849 HydrophobicContact CE1-CE1 4.02Å; F811-Y849 HydrophobicContact CE1-CG 4.09Å; F811-Y849 AromaticContact CG-CD1 3.86Å; F811-Y849 HydrophobicContact CG-CD1 3.86Å; F811-Y849 AromaticContact CG-CD2 3.94Å; F811-Y849 HydrophobicContact CG-CD2 3.94Å; F811-Y849 AromaticContact CG-CG 3.53Å; F811-Y849 HydrophobicContact CG-CG 3.53Å; F811-Y849 HydrophobicContact CZ-CD1 4.33Å; H845-Y849 VanDerWaalsContact O-CB 3.3Å; H845-Y849 WeakPolarHBondContact O-CB 3.46Å; H845-Y849 PolarHBondContact O-N 3.01Å; R846-Y849 PolarHBondContact O-N 3.21Å; Y849-E851 VanDerWaalsContact C-N 3.33Å; Y849-E851 PolarHBondContact O-N 2.99Å; Y849-V852 PolarHBondContact O-N 2.66Å; Y849-C853 WeakPolarHBondContact CE2-SG 3.44Å; Y849-C853 VanDerWaalsContact O-CB 3.3Å; Y849-C853 WeakPolarHBondContact O-CB 3.15Å; Y849-C853 PolarHBondContact O-N 2.87Å; Y849-V857 HydrophobicContact CD1-CB 4.38Å; Y849-V857 HydrophobicContact CD1-CG1 3.94Å; Y849-V857 HydrophobicContact CE1-CB 3.66Å; Y849-V857 HydrophobicContact CE1-CG1 3.69Å; Y849-H858 WeakPolarHBondContact OH-CB 3.2Å; Y849-H858 PolarHBondContact OH-N 3.44Å; Y849-L861 HydrophobicContact CE1-CD2 4.42Å; Y849-L861 HydrophobicContact CE2-CD2 4.42Å |
| 850 | R | 94.1 | Very high | 94.6 | Very high | 127 Ų | 127 | 41.1 Ų | 41.1 | 48% | 0.479 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.9 | -39.7 | 175.9 | -164.9 | -179.3 | 92.1 | -129.8 | 7.4 | 112.2 | R846 D847 R848 Q854 G855 V857 | R846-R850 PolarHBondContact O-N 3.44Å; D847-R850 PolarHBondContact O-N 3.36Å; D847-R850 IonicContact OD1-NH1 3.01Å; D847-R850 PolarHBondContact OD1-NH1 3.17Å; R848-R850 VanDerWaalsContact C-N 3.32Å; R848-R850 PolarHBondContact O-N 2.98Å; R850-Q854 PolarHBondContact O-N 2.73Å; R850-G855 PolarHBondContact O-N 2.63Å; R850-V857 HydrophobicContact CB-CG1 4.23Å; R850-V857 HydrophobicContact CG-CG1 4.13Å |
| 851 | E | 91.3 | Very high | 94.7 | Very high | 94 Ų | 94 | 38 Ų | 38 | 44% | 0.439 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.5 | -50.7 | 177.3 | -171.9 | -176.8 | 169.7 | 0 | 0 | 111.6 | D847 R848 Y849 C853 Q854 R926 Y1049 | D847-E851 PolarHBondContact O-N 2.86Å; R848-E851 WeakPolarHBondContact O-CB 3.33Å; R848-E851 PolarHBondContact O-N 3.3Å; R848-E851 VanDerWaalsContact O-N 3.13Å; Y849-E851 VanDerWaalsContact C-N 3.33Å; Y849-E851 PolarHBondContact O-N 2.99Å; E851-C853 PolarHBondContact O-N 3.44Å; E851-Q854 WeakPolarHBondContact O-CA 3.29Å; E851-Q854 PolarHBondContact O-N 3.39Å; E851-R926 IonicContact OE1-CZ 3.86Å; E851-R926 IonicContact OE1-NH1 3.32Å; E851-R926 IonicContact OE1-NH2 3.68Å; E851-R926 PolarHBondContact OE1-NH2 3.41Å; E851-Y1049 HydrophobicContact CG-CE2 4.05Å |
| 852 | V | 92.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.4 | -38.7 | -179 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | A807 R848 Y849 Q854 Y1049 | A807-V852 HydrophobicContact CB-CB 4.19Å; A807-V852 HydrophobicContact CB-CG1 3.69Å; R848-V852 WeakPolarHBondContact O-CG2 3.37Å; R848-V852 PolarHBondContact O-N 3.38Å; Y849-V852 PolarHBondContact O-N 2.66Å; V852-Q854 PolarHBondContact O-N 2.99Å; V852-Y1049 HydrophobicContact CB-CG 4.43Å; V852-Y1049 HydrophobicContact CG1-CD1 4.09Å; V852-Y1049 HydrophobicContact CG1-CG 4.12Å; V852-Y1049 HydrophobicContact CG2-CD1 4.21Å; V852-Y1049 HydrophobicContact CG2-CE1 3.94Å; V852-Y1049 HydrophobicContact CG2-CE2 4.41Å |
| 853 | C | 93.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -1.6 | 172.6 | -75 | 0 | 0 | 0 | 0 | 114 | M805 Y849 E851 G855 S856 V857 | M805-C853 HydrophobicContact SD-CB 4.29Å; Y849-C853 WeakPolarHBondContact CE2-SG 3.44Å; Y849-C853 VanDerWaalsContact O-CB 3.3Å; Y849-C853 WeakPolarHBondContact O-CB 3.15Å; Y849-C853 PolarHBondContact O-N 2.87Å; E851-C853 PolarHBondContact O-N 3.44Å; C853-G855 PolarHBondContact O-N 3.26Å; C853-G855 VanDerWaalsContact O-N 3.17Å; C853-S856 WeakPolarHBondContact O-CB 3.28Å; C853-S856 PolarHBondContact O-N 3.14Å; C853-V857 HydrophobicContact CB-CG1 4.31Å |
| 854 | Q | 86.9 | Confident | 94.6 | Very high | 99 Ų | 99 | 40 Ų | 40 | 46% | 0.463 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 37.3 | -177.8 | -56.3 | 175.5 | -15.8 | 0 | 0 | 112.6 | R850 E851 V852 S856 S1048 S1052 | R850-Q854 PolarHBondContact O-N 2.73Å; E851-Q854 WeakPolarHBondContact O-CA 3.29Å; E851-Q854 PolarHBondContact O-N 3.39Å; V852-Q854 PolarHBondContact O-N 2.99Å; Q854-S856 VanDerWaalsContact C-N 3.32Å; Q854-S856 PolarHBondContact O-N 3.14Å; Q854-S1048 VanDerWaalsContact NE2-C 3.3Å; Q854-S1048 PolarHBondContact NE2-O 3.47Å; Q854-S1052 PolarHBondContact NE2-OG 2.84Å |
| 855 | G | 83.4 | Confident | 94.6 | Very high | 29 Ų | 29 | 37.5 Ų | 37.5 | 30% | 0.299 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -14.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R850 C853 V857 | R850-G855 PolarHBondContact O-N 2.63Å; C853-G855 PolarHBondContact O-N 3.26Å; C853-G855 VanDerWaalsContact O-N 3.17Å; G855-V857 VanDerWaalsContact C-N 3.25Å; G855-V857 PolarHBondContact O-N 2.99Å |
| 856 | S | 89.9 | Confident | 94.6 | Very high | 30 Ų | 30 | 35.6 Ų | 35.6 | 21% | 0.21 | 17% | 0.171 | C | C | . | . | trans | -83.6 | 65 | 179.5 | -164.6 | 0 | 0 | 0 | 0 | 112.4 | N797 R799 C853 Q854 | N797-S856 VanDerWaalsContact O-CA 3.32Å; N797-S856 WeakPolarHBondContact O-CA 3.38Å; N797-S856 PolarHBondContact O-OG 3.03Å; R799-S856 WeakPolarHBondContact CD-OG 3.42Å; R799-S856 WeakPolarHBondContact CG-OG 3.47Å; R799-S856 PolarHBondContact NE-O 2.96Å; R799-S856 PolarHBondContact NH2-O 3.2Å; C853-S856 WeakPolarHBondContact O-CB 3.28Å; C853-S856 PolarHBondContact O-N 3.14Å; Q854-S856 VanDerWaalsContact C-N 3.32Å; Q854-S856 PolarHBondContact O-N 3.14Å | ||
| 857 | V | 94.6 | Very high | 94.6 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.03 | 18% | 0.184 | C | C | . | . | trans | -78.6 | 154.4 | -178.3 | -62 | 0 | 0 | 0 | 0 | 112 | Y798 R799 Y849 R850 C853 G855 | Y798-V857 WeakPolarHBondContact CA-O 3.48Å; Y798-V857 HydrophobicContact CD1-CG2 3.51Å; Y798-V857 HydrophobicContact CE1-CG2 3.27Å; Y798-V857 HydrophobicContact CE2-CG2 4.41Å; Y798-V857 HydrophobicContact CG-CG2 4.19Å; R799-V857 PolarHBondContact N-O 3.17Å; Y849-V857 HydrophobicContact CD1-CB 4.38Å; Y849-V857 HydrophobicContact CD1-CG1 3.94Å; Y849-V857 HydrophobicContact CE1-CB 3.66Å; Y849-V857 HydrophobicContact CE1-CG1 3.69Å; R850-V857 HydrophobicContact CB-CG1 4.23Å; R850-V857 HydrophobicContact CG-CG1 4.13Å; C853-V857 HydrophobicContact CB-CG1 4.31Å; G855-V857 VanDerWaalsContact C-N 3.25Å; G855-V857 PolarHBondContact O-N 2.99Å | ||
| 858 | H | 96.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -83.6 | 123.8 | 179.4 | -172.1 | -95.9 | 0 | 0 | 0 | 111.7 | R799 G801 Y803 Y849 N860 L861 I862 | R799-H858 WeakPolarHBondContact O-CA 3.4Å; R799-H858 PolarHBondContact O-CD2 3.07Å; G801-H858 PolarHBondContact O-NE2 3.39Å; Y803-H858 AromaticContact CD1-ND1 4Å; Y803-H858 AromaticContact CE1-CE1 3.79Å; Y803-H858 AromaticContact CE1-ND1 3.59Å; Y849-H858 WeakPolarHBondContact OH-CB 3.2Å; Y849-H858 PolarHBondContact OH-N 3.44Å; H858-N860 PolarHBondContact ND1-N 3.42Å; H858-N860 PolarHBondContact O-N 3.27Å; H858-L861 HydrophobicContact CB-CB 4.03Å; H858-L861 PolarHBondContact ND1-N 3.4Å; H858-L861 PolarHBondContact O-N 3.27Å; H858-L861 VanDerWaalsContact O-N 3.12Å; H858-I862 PolarHBondContact O-N 3.06Å |
| 859 | T | 95.6 | Very high | 95 | Very high | 7 Ų | 7 | 33.9 Ų | 33.9 | 4% | 0.043 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55.2 | -48 | -173.6 | -65.1 | 0 | 0 | 0 | 0 | 113.3 | L787 R799 L861 I862 R863 | L787-T859 HydrophobicContact CD2-CG2 3.96Å; R799-T859 PolarHBondContact O-N 3.36Å; R799-T859 PolarHBondContact O-OG1 3.08Å; T859-L861 VanDerWaalsContact C-N 3.3Å; T859-L861 PolarHBondContact O-N 3.32Å; T859-I862 WeakPolarHBondContact O-CG2 3.5Å; T859-R863 WeakPolarHBondContact O-CB 3.05Å; T859-R863 WeakPolarHBondContact O-CG 3.22Å; T859-R863 PolarHBondContact O-N 3.02Å |
| 860 | N | 95.8 | Very high | 95 | Very high | 98 Ų | 98 | 33.9 Ų | 33.9 | 52% | 0.524 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -71.6 | -30.2 | -178 | -65.2 | -20.9 | 0 | 0 | 0 | 111.9 | H858 R864 | H858-N860 PolarHBondContact ND1-N 3.42Å; H858-N860 PolarHBondContact O-N 3.27Å; N860-R864 WeakPolarHBondContact O-CB 3.17Å; N860-R864 PolarHBondContact O-N 3.06Å |
| 861 | L | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -76.1 | -39.6 | -178.5 | -175.1 | 55.6 | 0 | 0 | 0 | 110.8 | Y803 D808 F811 E812 I815 Y849 H858 T859 R864 Y865 | Y803-L861 HydrophobicContact CE1-CB 4.33Å; Y803-L861 HydrophobicContact CE1-CD2 4.48Å; D808-L861 HydrophobicContact CB-CD2 4.23Å; D808-L861 VanDerWaalsContact O-CD2 3.29Å; D808-L861 WeakPolarHBondContact O-CD2 3.36Å; F811-L861 HydrophobicContact CB-CD2 4.36Å; F811-L861 HydrophobicContact CD1-CD1 4.4Å; F811-L861 HydrophobicContact CD1-CD2 3.76Å; F811-L861 HydrophobicContact CD1-CG 3.78Å; F811-L861 HydrophobicContact CE1-CG 4.23Å; E812-L861 HydrophobicContact CB-CD1 3.84Å; E812-L861 HydrophobicContact CB-CD2 4.42Å; E812-L861 HydrophobicContact CG-CD1 4.27Å; I815-L861 HydrophobicContact CD1-CD1 3.95Å; Y849-L861 HydrophobicContact CE1-CD2 4.42Å; Y849-L861 HydrophobicContact CE2-CD2 4.42Å; H858-L861 HydrophobicContact CB-CB 4.03Å; H858-L861 PolarHBondContact ND1-N 3.4Å; H858-L861 PolarHBondContact O-N 3.27Å; H858-L861 VanDerWaalsContact O-N 3.12Å; T859-L861 VanDerWaalsContact C-N 3.3Å; T859-L861 PolarHBondContact O-N 3.32Å; L861-R864 WeakPolarHBondContact O-CB 3.35Å; L861-R864 PolarHBondContact O-N 3.42Å; L861-Y865 PolarHBondContact O-N 2.58Å |
| 862 | I | 97.6 | Very high | 95.6 | Very high | 5 Ų | 5 | 23.8 Ų | 23.8 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68 | -38.5 | 173.4 | -165.5 | 65.6 | 0 | 0 | 0 | 111.6 | W779 L787 Y798 R846 H858 T859 R864 Y865 M866 | W779-I862 HydrophobicContact CH2-CD1 3.9Å; W779-I862 HydrophobicContact CH2-CG1 4.17Å; W779-I862 HydrophobicContact CZ2-CD1 4.14Å; W779-I862 HydrophobicContact CZ2-CG1 4.5Å; L787-I862 HydrophobicContact CD1-CG2 3.94Å; L787-I862 HydrophobicContact CD2-CG2 4.15Å; Y798-I862 HydrophobicContact CD1-CG2 4.34Å; Y798-I862 HydrophobicContact CE1-CG2 4.11Å; R846-I862 HydrophobicContact CG-CD1 3.98Å; H858-I862 PolarHBondContact O-N 3.06Å; T859-I862 WeakPolarHBondContact O-CG2 3.5Å; I862-R864 VanDerWaalsContact C-N 3.29Å; I862-R864 PolarHBondContact O-N 2.92Å; I862-Y865 HydrophobicContact CD1-CD1 3.86Å; I862-Y865 HydrophobicContact CD1-CG 4.4Å; I862-Y865 WeakPolarHBondContact O-CB 3.47Å; I862-Y865 PolarHBondContact O-N 2.96Å; I862-M866 VanDerWaalsContact O-CG 3.22Å; I862-M866 WeakPolarHBondContact O-CG 3.38Å; I862-M866 PolarHBondContact O-N 3.06Å |
| 863 | R | 97 | Very high | 95.9 | Very high | 86 Ų | 86 | 23.8 Ų | 23.8 | 33% | 0.325 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -60.8 | -40.5 | 171.8 | -76.6 | -176.8 | 176.7 | -86.6 | 4.2 | 111.5 | L787 N788 T859 M866 N867 | L787-R863 VanDerWaalsContact C-NH2 3.33Å; L787-R863 HydrophobicContact CD1-CG 3.81Å; L787-R863 PolarHBondContact O-NH2 2.98Å; N788-R863 PolarHBondContact OD1-NH2 3.01Å; T859-R863 WeakPolarHBondContact O-CB 3.05Å; T859-R863 WeakPolarHBondContact O-CG 3.22Å; T859-R863 PolarHBondContact O-N 3.02Å; R863-M866 WeakPolarHBondContact O-CB 3.46Å; R863-M866 PolarHBondContact O-N 3.03Å; R863-N867 PolarHBondContact O-N 3.02Å; R863-N867 VanDerWaalsContact O-N 3.09Å |
| 864 | R | 97.7 | Very high | 96.1 | Very high | 49 Ų | 49 | 23.6 Ų | 23.6 | 19% | 0.185 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.9 | -51.4 | 174.6 | -176.6 | 172.2 | 179.8 | -139.8 | -9.5 | 111.2 | E812 N816 N860 L861 I862 M866 N867 I868 S904 | E812-R864 VanDerWaalsContact CG-NH1 3.29Å; E812-R864 IonicContact OE1-NH1 3.35Å; E812-R864 PolarHBondContact OE1-NH1 3.5Å; N816-R864 PolarHBondContact OD1-NH2 3.35Å; N860-R864 WeakPolarHBondContact O-CB 3.17Å; N860-R864 PolarHBondContact O-N 3.06Å; L861-R864 WeakPolarHBondContact O-CB 3.35Å; L861-R864 PolarHBondContact O-N 3.42Å; I862-R864 VanDerWaalsContact C-N 3.29Å; I862-R864 PolarHBondContact O-N 2.92Å; R864-M866 PolarHBondContact O-N 3.36Å; R864-N867 WeakPolarHBondContact O-CB 3.35Å; R864-N867 PolarHBondContact O-N 3.36Å; R864-N867 VanDerWaalsContact O-N 3.09Å; R864-I868 HydrophobicContact CG-CG1 4.25Å; R864-I868 VanDerWaalsContact O-CG1 3.32Å; R864-I868 WeakPolarHBondContact O-CG1 3.4Å; R864-I868 PolarHBondContact O-N 3Å; R864-S904 VanDerWaalsContact CZ-CB 3.44Å; R864-S904 PolarHBondContact NH1-OG 3.1Å; R864-S904 PolarHBondContact NH2-OG 3.31Å |
| 865 | Y | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -49.7 | -47 | 173.5 | 159.3 | -91.5 | 0 | 0 | 0 | 111.8 | W779 F811 L842 Q843 R846 L861 I862 N867 I868 Q869 | W779-Y865 HydrophobicContact CH2-CD1 4.11Å; W779-Y865 AromaticContact CH2-CE1 3.74Å; W779-Y865 HydrophobicContact CH2-CE1 3.74Å; W779-Y865 HydrophobicContact CZ3-CD1 4.44Å; W779-Y865 AromaticContact CZ3-CE1 3.82Å; W779-Y865 HydrophobicContact CZ3-CE1 3.82Å; F811-Y865 HydrophobicContact CE1-CG 4.43Å; F811-Y865 HydrophobicContact CE2-CD2 4.28Å; F811-Y865 AromaticContact CZ-CD2 3.59Å; F811-Y865 HydrophobicContact CZ-CD2 3.59Å; F811-Y865 HydrophobicContact CZ-CE2 4.41Å; F811-Y865 AromaticContact CZ-CG 3.85Å; F811-Y865 HydrophobicContact CZ-CG 3.85Å; L842-Y865 HydrophobicContact CD1-CD2 3.98Å; L842-Y865 HydrophobicContact CD1-CE2 4.01Å; L842-Y865 HydrophobicContact CD2-CE2 4.5Å; L842-Y865 HydrophobicContact CG-CD2 4.13Å; L842-Y865 HydrophobicContact CG-CE2 3.73Å; L842-Y865 WeakPolarHBondContact O-CE2 3.38Å; Q843-Y865 WeakPolarHBondContact CG-OH 3.3Å; R846-Y865 HydrophobicContact CB-CD2 4.08Å; R846-Y865 HydrophobicContact CB-CE1 4.17Å; R846-Y865 HydrophobicContact CB-CE2 3.54Å; R846-Y865 HydrophobicContact CG-CD1 4.24Å; R846-Y865 HydrophobicContact CG-CE1 3.9Å; R846-Y865 HydrophobicContact CG-CE2 4.19Å; R846-Y865 PolarHBondContact NH1-OH 3.42Å; L861-Y865 PolarHBondContact O-N 2.58Å; I862-Y865 HydrophobicContact CD1-CD1 3.86Å; I862-Y865 HydrophobicContact CD1-CG 4.4Å; I862-Y865 WeakPolarHBondContact O-CB 3.47Å; I862-Y865 PolarHBondContact O-N 2.96Å; Y865-N867 VanDerWaalsContact C-N 3.34Å; Y865-N867 PolarHBondContact O-N 3.22Å; Y865-I868 PolarHBondContact O-N 3.12Å; Y865-Q869 HydrophobicContact CE1-CB 4.47Å; Y865-Q869 VanDerWaalsContact O-CB 3.29Å; Y865-Q869 WeakPolarHBondContact O-CB 3.38Å; Y865-Q869 PolarHBondContact O-N 3.46Å; Y865-Q869 PolarHBondContact OH-OE1 3.11Å |
| 866 | M | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.015 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 179.8 | -73.5 | 171.1 | 84 | 0 | 0 | 111.6 | W779 F780 T783 L784 L787 I862 R863 R864 L870 | W779-M866 HydrophobicContact CH2-CG 4Å; W779-M866 HydrophobicContact CH2-SD 4.33Å; W779-M866 HydrophobicContact CZ3-CE 4.31Å; W779-M866 HydrophobicContact CZ3-CG 3.82Å; W779-M866 HydrophobicContact CZ3-SD 4.33Å; F780-M866 HydrophobicContact CB-CE 4.44Å; F780-M866 HydrophobicContact CD1-CB 4.49Å; F780-M866 HydrophobicContact CD1-CE 3.3Å; F780-M866 HydrophobicContact CD1-CG 4.42Å; F780-M866 HydrophobicContact CE1-CB 3.59Å; F780-M866 HydrophobicContact CE1-CE 3.66Å; F780-M866 HydrophobicContact CE1-CG 3.85Å; F780-M866 HydrophobicContact CG-CE 3.94Å; F780-M866 HydrophobicContact CZ-CB 3.89Å; F780-M866 HydrophobicContact CZ-CE 4.5Å; F780-M866 HydrophobicContact CZ-CG 4.02Å; T783-M866 HydrophobicContact CG2-CE 4.29Å; T783-M866 HydrophobicContact CG2-SD 3.96Å; L784-M866 HydrophobicContact CD1-CE 4.34Å; L784-M866 HydrophobicContact CD2-CE 3.65Å; L784-M866 HydrophobicContact CG-CE 3.64Å; L787-M866 HydrophobicContact CD1-SD 3.95Å; I862-M866 VanDerWaalsContact O-CG 3.22Å; I862-M866 WeakPolarHBondContact O-CG 3.38Å; I862-M866 PolarHBondContact O-N 3.06Å; R863-M866 WeakPolarHBondContact O-CB 3.46Å; R863-M866 PolarHBondContact O-N 3.03Å; R864-M866 PolarHBondContact O-N 3.36Å; M866-L870 VanDerWaalsContact O-CG 3.28Å; M866-L870 WeakPolarHBondContact O-CG 3.33Å; M866-L870 PolarHBondContact O-N 3.36Å; M866-L870 VanDerWaalsContact O-N 3.15Å |
| 867 | N | 98.1 | Very high | 97.8 | Very high | 63 Ų | 63 | 16 Ų | 16 | 34% | 0.337 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -61.9 | -48.6 | 176.1 | -169.2 | -11.1 | 0 | 0 | 0 | 111.4 | R863 R864 Y865 Q869 L870 L871 | R863-N867 PolarHBondContact O-N 3.02Å; R863-N867 VanDerWaalsContact O-N 3.09Å; R864-N867 WeakPolarHBondContact O-CB 3.35Å; R864-N867 PolarHBondContact O-N 3.36Å; R864-N867 VanDerWaalsContact O-N 3.09Å; Y865-N867 VanDerWaalsContact C-N 3.34Å; Y865-N867 PolarHBondContact O-N 3.22Å; N867-Q869 PolarHBondContact O-N 3.28Å; N867-L870 PolarHBondContact O-N 2.93Å; N867-L871 WeakPolarHBondContact O-CG 3.35Å; N867-L871 PolarHBondContact O-N 2.92Å; N867-L871 VanDerWaalsContact OD1-CD1 3.24Å; N867-L871 WeakPolarHBondContact OD1-CD1 3.45Å; N867-L871 WeakPolarHBondContact OD1-CG 3.45Å |
| 868 | I | 98.8 | Very high | 97.9 | Very high | 8 Ų | 8 | 15.8 Ų | 15.8 | 4% | 0.041 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 178.8 | -59.9 | -54.8 | 0 | 0 | 0 | 111.9 | I815 I819 L842 R864 Y865 L870 L871 L872 P901 | I815-I868 HydrophobicContact CG2-CB 4.22Å; I815-I868 HydrophobicContact CG2-CG1 3.75Å; I815-I868 HydrophobicContact CG2-CG2 4.07Å; I819-I868 HydrophobicContact CD1-CD1 3.81Å; I819-I868 HydrophobicContact CD1-CG1 4.31Å; I819-I868 HydrophobicContact CD1-CG2 4.22Å; I819-I868 HydrophobicContact CG1-CD1 4.49Å; I819-I868 HydrophobicContact CG1-CG2 3.89Å; L842-I868 HydrophobicContact CD2-CG2 4.26Å; R864-I868 HydrophobicContact CG-CG1 4.25Å; R864-I868 VanDerWaalsContact O-CG1 3.32Å; R864-I868 WeakPolarHBondContact O-CG1 3.4Å; R864-I868 PolarHBondContact O-N 3Å; Y865-I868 PolarHBondContact O-N 3.12Å; I868-L870 VanDerWaalsContact C-N 3.26Å; I868-L870 PolarHBondContact O-N 3.2Å; I868-L871 PolarHBondContact O-N 2.97Å; I868-L872 HydrophobicContact CG2-CD1 3.49Å; I868-L872 VanDerWaalsContact CG2-CD1 3.49Å; I868-L872 HydrophobicContact CG2-CG 3.92Å; I868-L872 WeakPolarHBondContact O-CB 3.19Å; I868-L872 VanDerWaalsContact O-CG 3.29Å; I868-L872 WeakPolarHBondContact O-CG 3.5Å; I868-L872 PolarHBondContact O-N 3.48Å; I868-P901 HydrophobicContact CD1-CB 3.15Å; I868-P901 HydrophobicContact CD1-CG 3.83Å |
| 869 | Q | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.1 | -40.8 | 177.3 | 179.8 | 68.2 | 69.8 | 0 | 0 | 111.5 | F780 V838 L842 Y865 N867 L873 | F780-Q869 HydrophobicContact CE2-CG 4.36Å; F780-Q869 HydrophobicContact CZ-CB 4.41Å; F780-Q869 HydrophobicContact CZ-CG 4.38Å; V838-Q869 PolarHBondContact O-NE2 2.89Å; V838-Q869 PolarHBondContact O-OE1 3.16Å; L842-Q869 HydrophobicContact CD2-CB 4.32Å; Y865-Q869 HydrophobicContact CE1-CB 4.47Å; Y865-Q869 VanDerWaalsContact O-CB 3.29Å; Y865-Q869 WeakPolarHBondContact O-CB 3.38Å; Y865-Q869 PolarHBondContact O-N 3.46Å; Y865-Q869 PolarHBondContact OH-OE1 3.11Å; N867-Q869 PolarHBondContact O-N 3.28Å; Q869-L873 WeakPolarHBondContact O-CB 3.26Å; Q869-L873 PolarHBondContact O-N 3.46Å |
| 870 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -70.5 | -50.7 | 178.1 | -67.2 | 172.5 | 0 | 0 | 0 | 111.8 | F780 M866 N867 I868 L872 L873 S874 C881 I884 W885 L889 I895 | F780-L870 HydrophobicContact CE1-CD1 3.76Å; F780-L870 HydrophobicContact CE1-CD2 4.02Å; F780-L870 HydrophobicContact CE1-CG 3.8Å; F780-L870 HydrophobicContact CZ-CD1 4.35Å; F780-L870 HydrophobicContact CZ-CD2 3.99Å; F780-L870 HydrophobicContact CZ-CG 3.87Å; M866-L870 VanDerWaalsContact O-CG 3.28Å; M866-L870 WeakPolarHBondContact O-CG 3.33Å; M866-L870 PolarHBondContact O-N 3.36Å; M866-L870 VanDerWaalsContact O-N 3.15Å; N867-L870 PolarHBondContact O-N 2.93Å; I868-L870 VanDerWaalsContact C-N 3.26Å; I868-L870 PolarHBondContact O-N 3.2Å; L870-L872 PolarHBondContact O-N 3.32Å; L870-L873 PolarHBondContact O-N 3.1Å; L870-S874 VanDerWaalsContact O-CB 3.28Å; L870-S874 WeakPolarHBondContact O-CB 3.4Å; L870-S874 PolarHBondContact O-N 3.2Å; L870-C881 HydrophobicContact CD2-CB 4.28Å; L870-I884 HydrophobicContact CD1-CB 4.3Å; L870-I884 HydrophobicContact CD1-CG2 3.61Å; L870-I884 HydrophobicContact CD2-CB 3.85Å; L870-I884 HydrophobicContact CD2-CD1 3.77Å; L870-I884 HydrophobicContact CD2-CG1 4.4Å; L870-I884 HydrophobicContact CD2-CG2 3.82Å; L870-I884 HydrophobicContact CG-CG2 4.33Å; L870-W885 HydrophobicContact CD1-CE3 4.38Å; L870-L889 HydrophobicContact CD1-CD1 3.64Å; L870-I895 HydrophobicContact CB-CD1 3.96Å |
| 871 | L | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 10.9 Ų | 10.9 | 5% | 0.047 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -59 | -51.9 | -177.8 | -71 | 172.9 | 0 | 0 | 0 | 111.1 | L77 N867 I868 L873 S874 I895 E898 P901 | L77-L871 WeakPolarHBondContact CD1-O 3.26Å; L77-L871 HydrophobicContact CD2-CD2 4.2Å; N867-L871 WeakPolarHBondContact O-CG 3.35Å; N867-L871 PolarHBondContact O-N 2.92Å; N867-L871 VanDerWaalsContact OD1-CD1 3.24Å; N867-L871 WeakPolarHBondContact OD1-CD1 3.45Å; N867-L871 WeakPolarHBondContact OD1-CG 3.45Å; I868-L871 PolarHBondContact O-N 2.97Å; L871-L873 VanDerWaalsContact C-N 3.31Å; L871-L873 PolarHBondContact O-N 3.24Å; L871-S874 PolarHBondContact O-N 3.32Å; L871-S874 PolarHBondContact O-OG 3.18Å; L871-I895 HydrophobicContact CD2-CD1 4.32Å; L871-I895 HydrophobicContact CD2-CG1 3.93Å; L871-E898 HydrophobicContact CD2-CB 3.62Å; L871-E898 HydrophobicContact CD2-CG 4.14Å; L871-P901 HydrophobicContact CD1-CB 4.14Å; L871-P901 HydrophobicContact CD1-CG 4.47Å |
| 872 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -67 | -30.2 | -176.8 | -62.3 | -176.2 | 0 | 0 | 0 | 113 | T818 I819 A822 Y826 V838 L842 I868 L870 W900 P901 | T818-L872 HydrophobicContact CG2-CD1 4.1Å; I819-L872 HydrophobicContact CG1-CD1 4.23Å; A822-L872 HydrophobicContact CB-CD1 4.18Å; A822-L872 HydrophobicContact CB-CD2 4.21Å; Y826-L872 WeakPolarHBondContact CE2-O 3.47Å; Y826-L872 PolarHBondContact OH-O 3.39Å; V838-L872 HydrophobicContact CB-CB 4.35Å; V838-L872 HydrophobicContact CG1-CB 3.49Å; V838-L872 VanDerWaalsContact CG1-CB 3.49Å; V838-L872 HydrophobicContact CG2-CB 3.87Å; V838-L872 HydrophobicContact CG2-CD1 4.33Å; L842-L872 HydrophobicContact CD2-CD1 4.4Å; I868-L872 HydrophobicContact CG2-CD1 3.49Å; I868-L872 VanDerWaalsContact CG2-CD1 3.49Å; I868-L872 HydrophobicContact CG2-CG 3.92Å; I868-L872 WeakPolarHBondContact O-CB 3.19Å; I868-L872 VanDerWaalsContact O-CG 3.29Å; I868-L872 WeakPolarHBondContact O-CG 3.5Å; I868-L872 PolarHBondContact O-N 3.48Å; L870-L872 PolarHBondContact O-N 3.32Å; L872-W900 HydrophobicContact CD2-CD2 4.39Å; L872-W900 HydrophobicContact CD2-CE3 4.38Å; L872-W900 HydrophobicContact CD2-CH2 3.29Å; L872-W900 HydrophobicContact CD2-CZ2 3.29Å; L872-W900 HydrophobicContact CD2-CZ3 3.85Å; L872-P901 HydrophobicContact CD2-CG 3.73Å; L872-P901 HydrophobicContact CG-CG 4.27Å |
| 873 | L | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.01 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -87 | -25.1 | -178.5 | -172.7 | 64 | 0 | 0 | 0 | 112.8 | L773 L776 V838 F839 Q869 L870 L871 P875 I876 C877 | L773-L873 HydrophobicContact CD2-CD2 4.49Å; L776-L873 HydrophobicContact CD2-CD2 3.92Å; V838-L873 HydrophobicContact CG1-CB 3.94Å; V838-L873 HydrophobicContact CG1-CD1 4.32Å; F839-L873 HydrophobicContact CB-CD1 4.2Å; F839-L873 HydrophobicContact CD2-CD1 3.98Å; F839-L873 HydrophobicContact CD2-CD2 3.76Å; F839-L873 HydrophobicContact CE2-CD2 4.1Å; F839-L873 HydrophobicContact CG-CD1 4.44Å; Q869-L873 WeakPolarHBondContact O-CB 3.26Å; Q869-L873 PolarHBondContact O-N 3.46Å; L870-L873 PolarHBondContact O-N 3.1Å; L871-L873 VanDerWaalsContact C-N 3.31Å; L871-L873 PolarHBondContact O-N 3.24Å; L873-P875 VanDerWaalsContact C-N 3.34Å; L873-I876 PolarHBondContact O-N 3.47Å; L873-C877 HydrophobicContact CD1-CB 4.35Å; L873-C877 HydrophobicContact CD2-CB 4.19Å; L873-C877 HydrophobicContact CG-CB 3.9Å; L873-C877 PolarHBondContact O-N 3Å |
| 874 | S | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -32.9 | -173.8 | 69.2 | 0 | 0 | 0 | 0 | 115.9 | L870 L871 I876 S878 F896 | L870-S874 VanDerWaalsContact O-CB 3.28Å; L870-S874 WeakPolarHBondContact O-CB 3.4Å; L870-S874 PolarHBondContact O-N 3.2Å; L871-S874 PolarHBondContact O-N 3.32Å; L871-S874 PolarHBondContact O-OG 3.18Å; S874-I876 PolarHBondContact O-N 3.37Å; S874-S878 VanDerWaalsContact O-CA 3.29Å; S874-S878 WeakPolarHBondContact O-CA 3.39Å; S874-S878 WeakPolarHBondContact O-CB 3.46Å; S874-S878 PolarHBondContact O-N 2.92Å; S874-S878 PolarHBondContact O-OG 3.06Å; S874-F896 WeakPolarHBondContact O-CZ 3.41Å |
| 875 | P | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -32.3 | 175.5 | -24.6 | 36.7 | 0 | 0 | 0 | 113.3 | F70 L77 K192 Y826 L873 | F70-P875 WeakPolarHBondContact CD1-O 3.43Å; L77-P875 HydrophobicContact CD1-CG 3.87Å; K192-P875 PolarHBondContact NZ-O 3.31Å; K192-P875 VanDerWaalsContact NZ-O 3.09Å; Y826-P875 HydrophobicContact CE1-CB 3.79Å; Y826-P875 HydrophobicContact CE1-CG 4.07Å; Y826-P875 HydrophobicContact CE2-CG 4.5Å; Y826-P875 WeakPolarHBondContact OH-CD 3.24Å; Y826-P875 WeakPolarHBondContact OH-CG 3.48Å; L873-P875 VanDerWaalsContact C-N 3.34Å |
| 876 | I | 98.2 | Very high | 98.4 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -47.1 | -178.6 | -60.4 | 175 | 0 | 0 | 0 | 112 | F70 R746 L747 A750 Y826 V834 L873 S874 | F70-I876 HydrophobicContact CD1-CB 4.42Å; F70-I876 HydrophobicContact CD1-CG1 4.07Å; F70-I876 HydrophobicContact CD2-CG1 4.38Å; F70-I876 HydrophobicContact CE1-CB 4.32Å; F70-I876 HydrophobicContact CE1-CG1 4.33Å; F70-I876 HydrophobicContact CE1-CG2 4.17Å; F70-I876 HydrophobicContact CG-CG1 4.11Å; F70-I876 HydrophobicContact CZ-CG2 4.17Å; R746-I876 HydrophobicContact CB-CG2 4.41Å; R746-I876 VanDerWaalsContact CB-O 3.31Å; R746-I876 WeakPolarHBondContact CB-O 3.44Å; R746-I876 WeakPolarHBondContact CD-O 3.33Å; L747-I876 HydrophobicContact CD2-CG2 4.43Å; A750-I876 HydrophobicContact CB-CD1 4.23Å; A750-I876 HydrophobicContact CB-CG2 4.08Å; Y826-I876 HydrophobicContact CE1-CD1 4.46Å; Y826-I876 HydrophobicContact CE1-CG1 4.4Å; V834-I876 HydrophobicContact CB-CD1 4.28Å; V834-I876 HydrophobicContact CG1-CD1 3.65Å; L873-I876 PolarHBondContact O-N 3.47Å; S874-I876 PolarHBondContact O-N 3.37Å |
| 877 | C | 97.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -110.4 | 69.7 | -178.8 | -53.1 | 0 | 0 | 0 | 0 | 110.3 | D743 L747 L773 L873 H879 C881 | D743-C877 HydrophobicContact CB-CB 4.24Å; D743-C877 VanDerWaalsContact OD2-C 3.25Å; L747-C877 VanDerWaalsContact CD2-SG 3.5Å; L773-C877 HydrophobicContact CD2-CB 3.94Å; L873-C877 HydrophobicContact CD1-CB 4.35Å; L873-C877 HydrophobicContact CD2-CB 4.19Å; L873-C877 HydrophobicContact CG-CB 3.9Å; L873-C877 PolarHBondContact O-N 3Å; C877-H879 PolarHBondContact O-N 3.46Å; C877-C881 VanDerWaalsContact O-CB 3.32Å; C877-C881 WeakPolarHBondContact O-CB 3.35Å; C877-C881 PolarHBondContact O-N 2.75Å; C877-C881 PolarHBondContact O-SG 3.38Å |
| 878 | S | 98 | Very high | 98.3 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -68.7 | -35.6 | -165.9 | -55.2 | 0 | 0 | 0 | 0 | 113.6 | K192 D743 S874 E882 F896 | K192-S878 WeakPolarHBondContact CE-OG 3.49Å; K192-S878 PolarHBondContact NZ-OG 3.43Å; D743-S878 PolarHBondContact OD1-N 3.42Å; S874-S878 VanDerWaalsContact O-CA 3.29Å; S874-S878 WeakPolarHBondContact O-CA 3.39Å; S874-S878 WeakPolarHBondContact O-CB 3.46Å; S874-S878 PolarHBondContact O-N 2.92Å; S874-S878 PolarHBondContact O-OG 3.06Å; S878-E882 WeakPolarHBondContact O-CB 3.49Å; S878-E882 PolarHBondContact O-N 3.32Å; S878-F896 WeakPolarHBondContact OG-CZ 3.39Å |
| 879 | H | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -75.4 | -49.1 | -174.3 | -58.4 | 95 | 0 | 0 | 0 | 112.4 | E16 Q20 W23 L189 A742 D743 R746 C877 C881 E882 H883 | E16-H879 HydrophobicContact CG-CB 3.83Å; Q20-H879 PolarHBondContact NE2-NE2 3.5Å; W23-H879 AromaticContact CH2-CD2 3.73Å; W23-H879 AromaticContact CH2-NE2 3.94Å; W23-H879 AromaticContact CZ3-CD2 3.71Å; W23-H879 AromaticContact CZ3-NE2 3.56Å; L189-H879 PolarHBondContact O-CE1 3.37Å; L189-H879 VanDerWaalsContact O-CE1 3.27Å; A742-H879 VanDerWaalsContact CB-CE1 3.42Å; A742-H879 WeakPolarHBondContact CB-CE1 3.39Å; D743-H879 IonicContact OD1-CE1 2.8Å; D743-H879 IonicContact OD1-CG 3.4Å; D743-H879 PolarHBondContact OD1-N 3.03Å; D743-H879 IonicContact OD1-ND1 3.82Å; D743-H879 PolarHBondContact OD1-ND1 2.85Å; D743-H879 WeakPolarHBondContact OD2-CA 3.5Å; D743-H879 WeakPolarHBondContact OD2-CB 3.45Å; D743-H879 PolarHBondContact OD2-N 3.46Å; D743-H879 IonicContact OD2-ND1 3.69Å; R746-H879 PolarHBondContact NH1-CE1 2.84Å; R746-H879 PolarHBondContact NH1-ND1 3.23Å; R746-H879 VanDerWaalsContact NH1-ND1 3.11Å; C877-H879 PolarHBondContact O-N 3.46Å; H879-C881 VanDerWaalsContact C-N 3.31Å; H879-C881 PolarHBondContact O-N 3Å; H879-E882 PolarHBondContact O-N 2.91Å; H879-H883 WeakPolarHBondContact O-CB 3.5Å; H879-H883 PolarHBondContact O-N 3.45Å |
| 880 | V | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.018 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 179.3 | 175 | 0 | 0 | 0 | 0 | 110.2 | L12 D743 L773 L777 H883 I884 | L12-V880 HydrophobicContact CD2-CG2 3.72Å; D743-V880 PolarHBondContact OD2-N 3.48Å; L773-V880 HydrophobicContact CB-CG2 4.36Å; L777-V880 HydrophobicContact CB-CG1 4.42Å; V880-H883 PolarHBondContact O-N 3.02Å; V880-I884 HydrophobicContact CG1-CD1 3.83Å; V880-I884 VanDerWaalsContact O-CG1 3.26Å; V880-I884 WeakPolarHBondContact O-CG1 3.49Å; V880-I884 PolarHBondContact O-N 3.42Å |
| 881 | C | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.2 | -45.2 | 177.9 | -69.3 | 0 | 0 | 0 | 0 | 112.6 | L870 C877 H879 I884 W885 I895 | L870-C881 HydrophobicContact CD2-CB 4.28Å; C877-C881 VanDerWaalsContact O-CB 3.32Å; C877-C881 WeakPolarHBondContact O-CB 3.35Å; C877-C881 PolarHBondContact O-N 2.75Å; C877-C881 PolarHBondContact O-SG 3.38Å; H879-C881 VanDerWaalsContact C-N 3.31Å; H879-C881 PolarHBondContact O-N 3Å; C881-I884 PolarHBondContact O-N 3.33Å; C881-W885 VanDerWaalsContact O-CB 3.25Å; C881-W885 WeakPolarHBondContact O-CB 3.2Å; C881-W885 PolarHBondContact O-N 2.88Å; C881-I895 HydrophobicContact CB-CD1 4.26Å |
| 882 | E | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.7 | -41.4 | 177.5 | -172.6 | 76.4 | -112.9 | 0 | 0 | 111.9 | V19 F22 W23 S878 H879 W885 I886 S894 I895 | V19-E882 HydrophobicContact CG1-CB 3.85Å; V19-E882 HydrophobicContact CG1-CG 3.77Å; V19-E882 HydrophobicContact CG2-CB 4.16Å; V19-E882 HydrophobicContact CG2-CG 4.23Å; F22-E882 HydrophobicContact CD1-CG 4.46Å; W23-E882 HydrophobicContact CZ2-CB 3.97Å; W23-E882 HydrophobicContact CZ2-CG 4.1Å; W23-E882 PolarHBondContact NE1-OE2 3.34Å; S878-E882 WeakPolarHBondContact O-CB 3.49Å; S878-E882 PolarHBondContact O-N 3.32Å; H879-E882 PolarHBondContact O-N 2.91Å; E882-W885 WeakPolarHBondContact O-CB 3.46Å; E882-W885 PolarHBondContact O-N 3.44Å; E882-I886 HydrophobicContact CG-CG1 4.31Å; E882-I886 PolarHBondContact O-N 2.98Å; E882-I886 WeakPolarHBondContact OE1-CG1 3.44Å; E882-S894 WeakPolarHBondContact OE1-CA 3.47Å; E882-S894 PolarHBondContact OE1-OG 3.45Å; E882-S894 PolarHBondContact OE2-OG 3.16Å; E882-I895 HydrophobicContact CB-CG2 4.46Å; E882-I895 PolarHBondContact OE1-N 3.06Å; E882-I895 WeakPolarHBondContact OE2-CG2 3.31Å |
| 883 | H | 98.6 | Very high | 97.5 | Very high | 22 Ų | 22 | 31.9 Ų | 31.9 | 10% | 0.102 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62 | -47.6 | 177.4 | 177.5 | 66 | 0 | 0 | 0 | 112.3 | I15 V19 H879 V880 W885 N887 | I15-H883 HydrophobicContact CG2-CB 3.38Å; V19-H883 HydrophobicContact CG2-CB 4.01Å; H879-H883 WeakPolarHBondContact O-CB 3.5Å; H879-H883 PolarHBondContact O-N 3.45Å; V880-H883 PolarHBondContact O-N 3.02Å; H883-W885 VanDerWaalsContact C-N 3.25Å; H883-W885 PolarHBondContact O-N 2.91Å; H883-N887 PolarHBondContact ND1-OD1 2.85Å; H883-N887 WeakPolarHBondContact O-CA 3.34Å; H883-N887 VanDerWaalsContact O-CB 3.25Å; H883-N887 WeakPolarHBondContact O-CB 3.26Å; H883-N887 PolarHBondContact O-N 3.22Å |
| 884 | I | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -60.3 | -42.9 | 176.1 | -64.6 | 167.6 | 0 | 0 | 0 | 109.8 | L777 F780 L870 V880 C881 L888 L889 | L777-I884 HydrophobicContact CD1-CD1 4.07Å; L777-I884 HydrophobicContact CD1-CG1 3.64Å; F780-I884 HydrophobicContact CB-CD1 4.22Å; F780-I884 HydrophobicContact CB-CG2 4.43Å; F780-I884 HydrophobicContact CD1-CD1 4.29Å; F780-I884 HydrophobicContact CD1-CG2 3.44Å; F780-I884 VanDerWaalsContact CD1-CG2 3.44Å; F780-I884 HydrophobicContact CD2-CD1 4.21Å; F780-I884 HydrophobicContact CE1-CG2 3.89Å; F780-I884 HydrophobicContact CG-CD1 3.99Å; F780-I884 HydrophobicContact CG-CG2 4.12Å; L870-I884 HydrophobicContact CD1-CB 4.3Å; L870-I884 HydrophobicContact CD1-CG2 3.61Å; L870-I884 HydrophobicContact CD2-CB 3.85Å; L870-I884 HydrophobicContact CD2-CD1 3.77Å; L870-I884 HydrophobicContact CD2-CG1 4.4Å; L870-I884 HydrophobicContact CD2-CG2 3.82Å; L870-I884 HydrophobicContact CG-CG2 4.33Å; V880-I884 HydrophobicContact CG1-CD1 3.83Å; V880-I884 VanDerWaalsContact O-CG1 3.26Å; V880-I884 WeakPolarHBondContact O-CG1 3.49Å; V880-I884 PolarHBondContact O-N 3.42Å; C881-I884 PolarHBondContact O-N 3.33Å; I884-L888 HydrophobicContact CB-CD1 4.34Å; I884-L888 HydrophobicContact CG1-CD1 3.99Å; I884-L888 HydrophobicContact CG2-CB 4.33Å; I884-L888 HydrophobicContact CG2-CD1 4.22Å; I884-L888 WeakPolarHBondContact O-CA 3.28Å; I884-L888 WeakPolarHBondContact O-CB 3.5Å; I884-L888 PolarHBondContact O-N 3.46Å; I884-L888 VanDerWaalsContact O-N 3.13Å; I884-L889 HydrophobicContact CG2-CG 4.46Å; I884-L889 PolarHBondContact O-N 3.42Å |
| 885 | W | 98.4 | Very high | 97.5 | Very high | 10 Ų | 10 | 31.9 Ų | 31.9 | 4% | 0.038 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -61.8 | -50.3 | -179.3 | -174.1 | -100.3 | 0 | 0 | 0 | 113.2 | L870 C881 E882 H883 L889 N891 T893 I895 E898 | L870-W885 HydrophobicContact CD1-CE3 4.38Å; C881-W885 VanDerWaalsContact O-CB 3.25Å; C881-W885 WeakPolarHBondContact O-CB 3.2Å; C881-W885 PolarHBondContact O-N 2.88Å; E882-W885 WeakPolarHBondContact O-CB 3.46Å; E882-W885 PolarHBondContact O-N 3.44Å; H883-W885 VanDerWaalsContact C-N 3.25Å; H883-W885 PolarHBondContact O-N 2.91Å; W885-L889 HydrophobicContact CE3-CD1 4.09Å; W885-L889 HydrophobicContact CZ3-CD1 4.47Å; W885-L889 WeakPolarHBondContact O-CB 3.25Å; W885-N891 HydrophobicContact CD2-CB 4.21Å; W885-N891 VanDerWaalsContact CE2-CG 3.47Å; W885-N891 HydrophobicContact CG-CB 4.19Å; W885-N891 HydrophobicContact CZ2-CB 4.13Å; W885-N891 WeakPolarHBondContact CZ2-ND2 3.47Å; W885-N891 VanDerWaalsContact NE1-CB 3.3Å; W885-N891 WeakPolarHBondContact O-CB 3.13Å; W885-N891 PolarHBondContact O-N 2.99Å; W885-N891 VanDerWaalsContact O-N 3.15Å; W885-N891 PolarHBondContact O-ND2 3.47Å; W885-T893 VanDerWaalsContact CD1-O 3.3Å; W885-T893 PolarHBondContact NE1-O 2.86Å; W885-I895 HydrophobicContact CB-CB 4.17Å; W885-I895 HydrophobicContact CB-CD1 4.28Å; W885-I895 HydrophobicContact CD2-CB 4.12Å; W885-I895 HydrophobicContact CD2-CD1 4.2Å; W885-I895 HydrophobicContact CD2-CG1 3.99Å; W885-I895 HydrophobicContact CE3-CD1 4.06Å; W885-I895 HydrophobicContact CE3-CG1 4.19Å; W885-I895 HydrophobicContact CG-CB 3.8Å; W885-I895 HydrophobicContact CG-CD1 4.31Å; W885-I895 HydrophobicContact CG-CG1 4.15Å; W885-E898 HydrophobicContact CH2-CG 3.74Å; W885-E898 VanDerWaalsContact CZ2-CD 3.46Å; W885-E898 HydrophobicContact CZ2-CG 3.32Å; W885-E898 WeakPolarHBondContact CZ2-OE1 3.32Å |
| 886 | I | 98.2 | Very high | 97.4 | Very high | 27 Ų | 27 | 32 Ų | 32 | 14% | 0.138 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -82.6 | -46.8 | -176.3 | -62.9 | -63.3 | 0 | 0 | 0 | 111.6 | F22 E882 N890 N891 T893 | F22-I886 HydrophobicContact CE1-CD1 4.11Å; F22-I886 HydrophobicContact CE1-CG1 4.05Å; F22-I886 HydrophobicContact CE2-CD1 4.34Å; F22-I886 HydrophobicContact CZ-CD1 3.7Å; F22-I886 HydrophobicContact CZ-CG1 4.05Å; E882-I886 HydrophobicContact CG-CG1 4.31Å; E882-I886 PolarHBondContact O-N 2.98Å; E882-I886 WeakPolarHBondContact OE1-CG1 3.44Å; I886-N890 VanDerWaalsContact O-CA 3.23Å; I886-N890 WeakPolarHBondContact O-CA 3.42Å; I886-N890 PolarHBondContact O-N 3.2Å; I886-N891 VanDerWaalsContact CD1-O 3.3Å; I886-N891 WeakPolarHBondContact CD1-O 3.24Å; I886-T893 VanDerWaalsContact CD1-O 3.26Å; I886-T893 WeakPolarHBondContact CD1-O 3.49Å |
| 887 | N | 96.6 | Very high | 97.3 | Very high | 75 Ų | 75 | 35.7 Ų | 35.7 | 40% | 0.401 | 19% | 0.188 | S | C | . | . | I | π-helix | trans | -92.9 | -31.2 | -168.2 | -60.3 | 110.5 | 0 | 0 | 0 | 114 | H883 | H883-N887 PolarHBondContact ND1-OD1 2.85Å; H883-N887 WeakPolarHBondContact O-CA 3.34Å; H883-N887 VanDerWaalsContact O-CB 3.25Å; H883-N887 WeakPolarHBondContact O-CB 3.26Å; H883-N887 PolarHBondContact O-N 3.22Å |
| 888 | L | 96.3 | Very high | 97.3 | Very high | 33 Ų | 33 | 38.9 Ų | 38.9 | 17% | 0.173 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -98.4 | -39.7 | -179.1 | -53.7 | -172.9 | 0 | 0 | 0 | 112.5 | L777 N781 L784 I884 | L777-L888 HydrophobicContact CD1-CD1 3.96Å; N781-L888 WeakPolarHBondContact OD1-CD1 3.33Å; N781-L888 WeakPolarHBondContact OD1-CD2 3.38Å; L784-L888 HydrophobicContact CD1-CB 3.63Å; L784-L888 HydrophobicContact CD1-CD1 4.43Å; I884-L888 HydrophobicContact CB-CD1 4.34Å; I884-L888 HydrophobicContact CG1-CD1 3.99Å; I884-L888 HydrophobicContact CG2-CB 4.33Å; I884-L888 HydrophobicContact CG2-CD1 4.22Å; I884-L888 WeakPolarHBondContact O-CA 3.28Å; I884-L888 WeakPolarHBondContact O-CB 3.5Å; I884-L888 PolarHBondContact O-N 3.46Å; I884-L888 VanDerWaalsContact O-N 3.13Å |
| 889 | L | 96.2 | Very high | 97.2 | Very high | 49 Ų | 49 | 46.3 Ų | 46.3 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -88 | -8.1 | 175.7 | -60.8 | 179.8 | 0 | 0 | 0 | 113.2 | L784 L870 I884 W885 N891 | L784-L889 HydrophobicContact CD1-CD2 3.8Å; L784-L889 HydrophobicContact CD2-CD2 3.67Å; L784-L889 HydrophobicContact CG-CD2 4.4Å; L870-L889 HydrophobicContact CD1-CD1 3.64Å; I884-L889 HydrophobicContact CG2-CG 4.46Å; I884-L889 PolarHBondContact O-N 3.42Å; W885-L889 HydrophobicContact CE3-CD1 4.09Å; W885-L889 HydrophobicContact CZ3-CD1 4.47Å; W885-L889 WeakPolarHBondContact O-CB 3.25Å; L889-N891 WeakPolarHBondContact CB-ND2 3.29Å; L889-N891 PolarHBondContact O-N 3.11Å |
| 890 | N | 94.9 | Very high | 97.2 | Very high | 125 Ų | 125 | 47.6 Ų | 47.6 | 67% | 0.668 | 24% | 0.239 | S | C | * | . | trans | 58.2 | 31.3 | 179.2 | -60.4 | -71.4 | 0 | 0 | 0 | 114 | I886 | I886-N890 VanDerWaalsContact O-CA 3.23Å; I886-N890 WeakPolarHBondContact O-CA 3.42Å; I886-N890 PolarHBondContact O-N 3.2Å | ||
| 891 | N | 96.8 | Very high | 97.2 | Very high | 53 Ų | 53 | 48 Ų | 48 | 28% | 0.283 | 24% | 0.242 | S | C | . | . | trans | -70.4 | 147.9 | 172.2 | -65.4 | -56.8 | 0 | 0 | 0 | 110.6 | W885 I886 L889 | W885-N891 HydrophobicContact CD2-CB 4.21Å; W885-N891 VanDerWaalsContact CE2-CG 3.47Å; W885-N891 HydrophobicContact CG-CB 4.19Å; W885-N891 HydrophobicContact CZ2-CB 4.13Å; W885-N891 WeakPolarHBondContact CZ2-ND2 3.47Å; W885-N891 VanDerWaalsContact NE1-CB 3.3Å; W885-N891 WeakPolarHBondContact O-CB 3.13Å; W885-N891 PolarHBondContact O-N 2.99Å; W885-N891 VanDerWaalsContact O-N 3.15Å; W885-N891 PolarHBondContact O-ND2 3.47Å; I886-N891 VanDerWaalsContact CD1-O 3.3Å; I886-N891 WeakPolarHBondContact CD1-O 3.24Å; L889-N891 WeakPolarHBondContact CB-ND2 3.29Å; L889-N891 PolarHBondContact O-N 3.11Å | ||
| 892 | K | 94 | Very high | 97 | Very high | 195 Ų | 195 | 56 Ų | 56 | 85% | 0.848 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -90 | -25.8 | -173.7 | -63.2 | -175.7 | -179.5 | -179.8 | 0 | 113.7 | ||
| 893 | T | 96.4 | Very high | 97 | Very high | 74 Ų | 74 | 59.2 Ų | 59.2 | 45% | 0.454 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -116.2 | 153.1 | -175.5 | 47.5 | 0 | 0 | 0 | 0 | 110.2 | W885 I886 | W885-T893 VanDerWaalsContact CD1-O 3.3Å; W885-T893 PolarHBondContact NE1-O 2.86Å; I886-T893 VanDerWaalsContact CD1-O 3.26Å; I886-T893 WeakPolarHBondContact CD1-O 3.49Å |
| 894 | S | 98 | Very high | 96.9 | Very high | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | trans | -55 | 147.2 | -179.8 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | E882 F896 C897 | E882-S894 WeakPolarHBondContact OE1-CA 3.47Å; E882-S894 PolarHBondContact OE1-OG 3.45Å; E882-S894 PolarHBondContact OE2-OG 3.16Å; S894-F896 PolarHBondContact O-N 3.3Å; S894-F896 VanDerWaalsContact O-N 3.12Å; S894-F896 PolarHBondContact OG-N 3.01Å; S894-F896 VanDerWaalsContact OG-N 3.1Å; S894-C897 VanDerWaalsContact O-CB 3.31Å; S894-C897 WeakPolarHBondContact O-CB 3.29Å; S894-C897 PolarHBondContact O-N 3.44Å | ||
| 895 | I | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -56.5 | -26.8 | 171.3 | -163.2 | 166.7 | 0 | 0 | 0 | 111.9 | L870 L871 C881 E882 W885 C897 E898 | L870-I895 HydrophobicContact CB-CD1 3.96Å; L871-I895 HydrophobicContact CD2-CD1 4.32Å; L871-I895 HydrophobicContact CD2-CG1 3.93Å; C881-I895 HydrophobicContact CB-CD1 4.26Å; E882-I895 HydrophobicContact CB-CG2 4.46Å; E882-I895 PolarHBondContact OE1-N 3.06Å; E882-I895 WeakPolarHBondContact OE2-CG2 3.31Å; W885-I895 HydrophobicContact CB-CB 4.17Å; W885-I895 HydrophobicContact CB-CD1 4.28Å; W885-I895 HydrophobicContact CD2-CB 4.12Å; W885-I895 HydrophobicContact CD2-CD1 4.2Å; W885-I895 HydrophobicContact CD2-CG1 3.99Å; W885-I895 HydrophobicContact CE3-CD1 4.06Å; W885-I895 HydrophobicContact CE3-CG1 4.19Å; W885-I895 HydrophobicContact CG-CB 3.8Å; W885-I895 HydrophobicContact CG-CD1 4.31Å; W885-I895 HydrophobicContact CG-CG1 4.15Å; I895-C897 PolarHBondContact O-N 2.97Å; I895-E898 WeakPolarHBondContact O-CB 3.32Å; I895-E898 PolarHBondContact O-N 2.95Å; I895-E898 VanDerWaalsContact O-N 3.09Å |
| 896 | F | 96.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 68.3 Ų | 68.3 | 1% | 0.013 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -78.6 | 8.4 | 175.5 | -62.7 | -65.8 | 0 | 0 | 0 | 114.5 | W23 V28 F29 R76 K192 S874 S878 S894 | W23-F896 AromaticContact CZ2-CE2 3.82Å; W23-F896 HydrophobicContact CZ2-CE2 3.82Å; V28-F896 HydrophobicContact CG1-CB 4.34Å; F29-F896 AromaticContact CE1-CD2 3.88Å; F29-F896 HydrophobicContact CE1-CD2 3.88Å; F29-F896 HydrophobicContact CE1-CE2 4.37Å; F29-F896 HydrophobicContact CE1-CG 4.23Å; F29-F896 AromaticContact CZ-CD2 3.93Å; F29-F896 HydrophobicContact CZ-CD2 3.93Å; F29-F896 HydrophobicContact CZ-CE2 4.11Å; R76-F896 PolarHBondContact NE-O 3.31Å; R76-F896 PolarHBondContact NH2-O 3.2Å; K192-F896 HydrophobicContact CD-CE1 4.33Å; K192-F896 HydrophobicContact CD-CZ 4.35Å; K192-F896 VanDerWaalsContact CE-CE1 3.5Å; S874-F896 WeakPolarHBondContact O-CZ 3.41Å; S878-F896 WeakPolarHBondContact OG-CZ 3.39Å; S894-F896 PolarHBondContact O-N 3.3Å; S894-F896 VanDerWaalsContact O-N 3.12Å; S894-F896 PolarHBondContact OG-N 3.01Å; S894-F896 VanDerWaalsContact OG-N 3.1Å |
| 897 | C | 95.3 | Very high | 96.6 | Very high | 77 Ų | 77 | 68 Ų | 68 | 52% | 0.52 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -100.5 | -7.4 | 165.1 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | S894 I895 | S894-C897 VanDerWaalsContact O-CB 3.31Å; S894-C897 WeakPolarHBondContact O-CB 3.29Å; S894-C897 PolarHBondContact O-N 3.44Å; I895-C897 PolarHBondContact O-N 2.97Å |
| 898 | E | 97.2 | Very high | 96.5 | Very high | 67 Ų | 67 | 67.7 Ų | 67.7 | 31% | 0.313 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -80.7 | 166.2 | 178.4 | -65.7 | -59 | 136.9 | 0 | 0 | 112.5 | L77 L871 W885 I895 | L77-E898 HydrophobicContact CD2-CB 4.46Å; L871-E898 HydrophobicContact CD2-CB 3.62Å; L871-E898 HydrophobicContact CD2-CG 4.14Å; W885-E898 HydrophobicContact CH2-CG 3.74Å; W885-E898 VanDerWaalsContact CZ2-CD 3.46Å; W885-E898 HydrophobicContact CZ2-CG 3.32Å; W885-E898 WeakPolarHBondContact CZ2-OE1 3.32Å; I895-E898 WeakPolarHBondContact O-CB 3.32Å; I895-E898 PolarHBondContact O-N 2.95Å; I895-E898 VanDerWaalsContact O-N 3.09Å |
| 899 | K | 96.8 | Very high | 96.2 | Very high | 155 Ų | 155 | 72.4 Ų | 72.4 | 67% | 0.674 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -97.4 | 157.6 | 175.5 | -65.9 | -177.8 | -179.5 | 178.8 | 0 | 111.5 | L77 | L77-K899 CarbonylContact O-C 3.27Å; L77-K899 WeakPolarHBondContact O-CA 3.24Å |
| 900 | W | 98.1 | Very high | 96 | Very high | 27 Ų | 27 | 74 Ų | 74 | 10% | 0.102 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 133.9 | 170.1 | -170 | -93 | 0 | 0 | 0 | 108.7 | Y74 L77 K78 A822 D823 Y826 L872 | Y74-W900 AromaticContact CD2-CE3 3.84Å; Y74-W900 HydrophobicContact CD2-CE3 3.84Å; Y74-W900 AromaticContact CD2-CH2 3.92Å; Y74-W900 HydrophobicContact CD2-CH2 3.92Å; Y74-W900 AromaticContact CD2-CZ3 3.42Å; Y74-W900 HydrophobicContact CD2-CZ3 3.42Å; Y74-W900 VanDerWaalsContact CD2-CZ3 3.42Å; Y74-W900 HydrophobicContact CE2-CD2 4.33Å; Y74-W900 AromaticContact CE2-CE3 3.9Å; Y74-W900 HydrophobicContact CE2-CE3 3.9Å; Y74-W900 AromaticContact CE2-CH2 3.9Å; Y74-W900 HydrophobicContact CE2-CH2 3.9Å; Y74-W900 HydrophobicContact CE2-CZ2 4.31Å; Y74-W900 AromaticContact CE2-CZ3 3.69Å; Y74-W900 HydrophobicContact CE2-CZ3 3.69Å; L77-W900 HydrophobicContact CB-CB 4.36Å; L77-W900 HydrophobicContact CB-CE3 3.85Å; L77-W900 HydrophobicContact CD1-CE3 4.01Å; L77-W900 HydrophobicContact CD1-CZ3 4.11Å; L77-W900 PolarHBondContact O-N 2.94Å; K78-W900 HydrophobicContact CD-CB 3.97Å; K78-W900 HydrophobicContact CD-CD2 4.08Å; K78-W900 HydrophobicContact CD-CE3 4.34Å; K78-W900 HydrophobicContact CD-CG 3.93Å; A822-W900 HydrophobicContact CB-CH2 4.23Å; A822-W900 HydrophobicContact CB-CZ2 4.1Å; D823-W900 HydrophobicContact CB-CZ2 3.81Å; Y826-W900 AromaticContact CD2-CH2 3.58Å; Y826-W900 HydrophobicContact CD2-CH2 3.58Å; Y826-W900 HydrophobicContact CD2-CZ3 4.1Å; Y826-W900 AromaticContact CE2-CH2 3.9Å; Y826-W900 HydrophobicContact CE2-CH2 3.9Å; Y826-W900 HydrophobicContact CE2-CZ3 4.24Å; L872-W900 HydrophobicContact CD2-CD2 4.39Å; L872-W900 HydrophobicContact CD2-CE3 4.38Å; L872-W900 HydrophobicContact CD2-CH2 3.29Å; L872-W900 HydrophobicContact CD2-CZ2 3.29Å; L872-W900 HydrophobicContact CD2-CZ3 3.85Å |
| 901 | P | 97.9 | Very high | 95.9 | Very high | 12 Ų | 12 | 69.6 Ų | 69.6 | 8% | 0.078 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 141.8 | -171.8 | 24.5 | -34.2 | 0 | 0 | 0 | 112.7 | I819 I868 L871 L872 | I819-P901 HydrophobicContact CD1-CB 4.04Å; I819-P901 HydrophobicContact CD1-CG 4.14Å; I819-P901 HydrophobicContact CG1-CB 4.45Å; I819-P901 HydrophobicContact CG1-CG 4Å; I819-P901 HydrophobicContact CG2-CG 4.15Å; I819-P901 WeakPolarHBondContact CG2-O 3.27Å; I868-P901 HydrophobicContact CD1-CB 3.15Å; I868-P901 HydrophobicContact CD1-CG 3.83Å; L871-P901 HydrophobicContact CD1-CB 4.14Å; L871-P901 HydrophobicContact CD1-CG 4.47Å; L872-P901 HydrophobicContact CD2-CG 3.73Å; L872-P901 HydrophobicContact CG-CG 4.27Å |
| 902 | E | 96.1 | Very high | 95.8 | Very high | 167 Ų | 167 | 68.7 Ų | 68.7 | 78% | 0.78 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -85 | 149.3 | 175 | -64.8 | -178.9 | 173.7 | 0 | 0 | 111.6 | ||
| 903 | L | 98 | Very high | 95.6 | Very high | 70 Ų | 70 | 61.5 Ų | 61.5 | 37% | 0.366 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 135.5 | 171.9 | -69.7 | 67.1 | 0 | 0 | 0 | 108.3 | N816 I819 E820 C905 V907 | N816-L903 HydrophobicContact CB-CG 4.3Å; I819-L903 HydrophobicContact CG2-CD1 3.97Å; E820-L903 HydrophobicContact CG-CD2 3.99Å; L903-C905 VanDerWaalsContact C-N 3.28Å; L903-V907 HydrophobicContact CD2-CG2 4.23Å |
| 904 | S | 95.9 | Very high | 95.5 | Very high | 59 Ų | 59 | 59.4 Ų | 59.4 | 41% | 0.413 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -72.5 | -29 | 174 | 54.9 | 0 | 0 | 0 | 0 | 112.2 | E812 N816 R864 | E812-S904 VanDerWaalsContact CD-OG 3.27Å; E812-S904 WeakPolarHBondContact CG-OG 3.4Å; E812-S904 PolarHBondContact OE1-OG 2.63Å; N816-S904 PolarHBondContact ND2-OG 2.8Å; N816-S904 PolarHBondContact OD1-N 2.97Å; N816-S904 VanDerWaalsContact OD1-N 3.09Å; N816-S904 PolarHBondContact OD1-OG 3.44Å; R864-S904 VanDerWaalsContact CZ-CB 3.44Å; R864-S904 PolarHBondContact NH1-OG 3.1Å; R864-S904 PolarHBondContact NH2-OG 3.31Å |
| 905 | C | 94.9 | Very high | 95.4 | Very high | 49 Ų | 49 | 59.3 Ų | 59.3 | 33% | 0.331 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -155.7 | 157.4 | 177.3 | 55.6 | 0 | 0 | 0 | 0 | 108.8 | N816 L903 | N816-C905 PolarHBondContact ND2-N 3.19Å; N816-C905 PolarHBondContact ND2-O 2.91Å; N816-C905 PolarHBondContact ND2-SG 2.89Å; L903-C905 VanDerWaalsContact C-N 3.28Å |
| 906 | P | 97.1 | Very high | 95 | Very high | 115 Ų | 115 | 67 Ų | 67 | 75% | 0.747 | 34% | 0.337 | S | S | * | . | trans | -55 | 142.7 | 171.7 | -24.3 | 34.6 | 0 | 0 | 0 | 111.2 | D908 | P906-D908 PolarHBondContact O-N 3.46Š| ||
| 907 | V | 97.6 | Very high | 94.9 | Very high | 21 Ų | 21 | 67.1 Ų | 67.1 | 13% | 0.127 | 34% | 0.338 | C | S | . | . | trans | -65.7 | 118.1 | -178.3 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | N813 N816 H817 E820 L903 L912 | N813-V907 WeakPolarHBondContact OD1-CA 3.4Å; N816-V907 HydrophobicContact CB-CG2 3.91Å; H817-V907 HydrophobicContact CB-CG1 3.81Å; H817-V907 HydrophobicContact CB-CG2 4.22Å; E820-V907 VanDerWaalsContact CD-CG2 3.43Å; E820-V907 HydrophobicContact CG-CG2 4.01Å; E820-V907 WeakPolarHBondContact OE2-CG2 3.34Å; L903-V907 HydrophobicContact CD2-CG2 4.23Å; V907-L912 HydrophobicContact CG1-CD1 3.86Å; V907-L912 HydrophobicContact CG1-CG 4.45Å | ||
| 908 | D | 95.3 | Very high | 94.8 | Very high | 67 Ų | 67 | 63.6 Ų | 63.6 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | trans | -88 | 112.9 | 177.7 | -174.8 | -18.6 | 0 | 0 | 0 | 110.2 | N813 P906 I910 L911 L912 | N813-D908 PolarHBondContact ND2-O 3.02Å; N813-D908 PolarHBondContact OD1-N 2.91Å; P906-D908 PolarHBondContact O-N 3.46Å; D908-I910 VanDerWaalsContact C-N 3.29Å; D908-I910 PolarHBondContact O-N 3.02Å; D908-I910 WeakPolarHBondContact OD1-CA 3.26Å; D908-I910 VanDerWaalsContact OD1-CB 3.31Å; D908-I910 WeakPolarHBondContact OD1-CB 3.33Å; D908-I910 PolarHBondContact OD1-N 3.44Å; D908-L911 HydrophobicContact CB-CB 4.08Å; D908-L911 HydrophobicContact CB-CD1 4.02Å; D908-L911 HydrophobicContact CB-CG 4.12Å; D908-L911 PolarHBondContact O-N 2.86Å; D908-L911 PolarHBondContact OD1-N 3.31Å; D908-L912 PolarHBondContact O-N 2.84Å | ||
| 909 | R | 89.8 | Confident | 94.6 | Very high | 132 Ų | 132 | 62.7 Ų | 62.7 | 50% | 0.498 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.5 | -28.9 | 179.5 | -61.5 | -64.9 | 176.8 | -133.3 | -12.1 | 112.6 | H817 E820 L912 L913 | H817-R909 PolarHBondContact CE1-NH1 3.25Å; H817-R909 PolarHBondContact ND1-NH1 3.33Å; H817-R909 VanDerWaalsContact ND1-NH1 3.14Å; E820-R909 IonicContact OE2-NH2 2.64Å; E820-R909 PolarHBondContact OE2-NH2 3.27Å; R909-L912 PolarHBondContact O-N 2.92Å; R909-L913 PolarHBondContact O-N 3.44Å; R909-L913 VanDerWaalsContact O-N 3.09Å |
| 910 | I | 90.7 | Very high | 94.4 | Very high | 83 Ų | 83 | 59.5 Ų | 59.5 | 43% | 0.426 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69 | -44.2 | 177.1 | -60 | 175.8 | 0 | 0 | 0 | 109.2 | D908 L912 L913 Q914 V1037 | D908-I910 VanDerWaalsContact C-N 3.29Å; D908-I910 PolarHBondContact O-N 3.02Å; D908-I910 WeakPolarHBondContact OD1-CA 3.26Å; D908-I910 VanDerWaalsContact OD1-CB 3.31Å; D908-I910 WeakPolarHBondContact OD1-CB 3.33Å; D908-I910 PolarHBondContact OD1-N 3.44Å; I910-L912 VanDerWaalsContact C-N 3.34Å; I910-L912 PolarHBondContact O-N 3.43Å; I910-L913 WeakPolarHBondContact O-CB 3.48Å; I910-L913 PolarHBondContact O-N 3.39Å; I910-L913 VanDerWaalsContact O-N 3.17Å; I910-Q914 HydrophobicContact CG2-CG 4.33Å; I910-Q914 VanDerWaalsContact O-CG 3.28Å; I910-Q914 WeakPolarHBondContact O-CG 3.19Å; I910-Q914 PolarHBondContact O-N 2.86Å; I910-V1037 HydrophobicContact CG2-CG2 4.48Å |
| 911 | L | 94.3 | Very high | 94.2 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 17% | 0.173 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.3 | -38.1 | 176.5 | -77.3 | 178.5 | 0 | 0 | 0 | 112.9 | F809 N813 D908 L913 Q914 G915 | F809-L911 HydrophobicContact CB-CD1 4.35Å; F809-L911 HydrophobicContact CB-CD2 4.5Å; N813-L911 HydrophobicContact CB-CB 4.35Å; N813-L911 HydrophobicContact CB-CD1 4.26Å; N813-L911 WeakPolarHBondContact ND2-CB 3.18Å; D908-L911 HydrophobicContact CB-CB 4.08Å; D908-L911 HydrophobicContact CB-CD1 4.02Å; D908-L911 HydrophobicContact CB-CG 4.12Å; D908-L911 PolarHBondContact O-N 2.86Å; D908-L911 PolarHBondContact OD1-N 3.31Å; L911-L913 VanDerWaalsContact C-N 3.35Å; L911-Q914 PolarHBondContact O-N 3.44Å; L911-G915 PolarHBondContact O-N 3.06Å |
| 912 | L | 93.9 | Very high | 94 | Very high | 34 Ų | 34 | 57.8 Ų | 57.8 | 18% | 0.178 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 173.4 | -66.2 | 177.6 | 0 | 0 | 0 | 111.2 | N813 E814 H817 V907 D908 R909 I910 G915 R916 | N813-L912 WeakPolarHBondContact ND2-CG 3.08Å; E814-L912 HydrophobicContact CG-CD2 4.05Å; H817-L912 HydrophobicContact CB-CD1 4.27Å; H817-L912 HydrophobicContact CB-CD2 4.24Å; V907-L912 HydrophobicContact CG1-CD1 3.86Å; V907-L912 HydrophobicContact CG1-CG 4.45Å; D908-L912 PolarHBondContact O-N 2.84Å; R909-L912 PolarHBondContact O-N 2.92Å; I910-L912 VanDerWaalsContact C-N 3.34Å; I910-L912 PolarHBondContact O-N 3.43Å; L912-G915 PolarHBondContact O-N 3.35Å; L912-R916 PolarHBondContact O-N 3.42Å |
| 913 | L | 90.2 | Very high | 93.9 | Very high | 44 Ų | 44 | 54.8 Ų | 54.8 | 23% | 0.23 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 177.1 | -178.1 | 59.8 | 0 | 0 | 0 | 111.7 | R909 I910 L911 G915 R916 Y917 E1036 V1037 L1082 | R909-L913 PolarHBondContact O-N 3.44Å; R909-L913 VanDerWaalsContact O-N 3.09Å; I910-L913 WeakPolarHBondContact O-CB 3.48Å; I910-L913 PolarHBondContact O-N 3.39Å; I910-L913 VanDerWaalsContact O-N 3.17Å; L911-L913 VanDerWaalsContact C-N 3.35Å; L913-G915 PolarHBondContact O-N 3.49Å; L913-R916 PolarHBondContact O-N 3.5Å; L913-Y917 WeakPolarHBondContact O-CB 3.37Å; L913-Y917 PolarHBondContact O-N 3.36Å; L913-E1036 HydrophobicContact CD2-CB 4.09Å; L913-E1036 VanDerWaalsContact CD2-OE2 3.28Å; L913-E1036 WeakPolarHBondContact CD2-OE2 3.38Å; L913-V1037 HydrophobicContact CB-CG2 4.39Å; L913-V1037 HydrophobicContact CD2-CG2 3.61Å; L913-V1037 HydrophobicContact CG-CG2 3.83Å; L913-L1082 HydrophobicContact CD1-CD1 4.34Å; L913-L1082 HydrophobicContact CD2-CD1 4.49Å |
| 914 | Q | 94.7 | Very high | 93.6 | Very high | 29 Ų | 29 | 53.3 Ų | 53.3 | 14% | 0.136 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 174.9 | -69.9 | -179.9 | 4.4 | 0 | 0 | 112.4 | H806 I910 L911 Y917 I918 V1037 V1042 | H806-Q914 PolarHBondContact NE2-OE1 2.74Å; I910-Q914 HydrophobicContact CG2-CG 4.33Å; I910-Q914 VanDerWaalsContact O-CG 3.28Å; I910-Q914 WeakPolarHBondContact O-CG 3.19Å; I910-Q914 PolarHBondContact O-N 2.86Å; L911-Q914 PolarHBondContact O-N 3.44Å; Q914-Y917 PolarHBondContact O-N 2.96Å; Q914-I918 WeakPolarHBondContact O-CG1 3.3Å; Q914-I918 PolarHBondContact O-N 3.18Å; Q914-V1037 HydrophobicContact CG-CG1 3.84Å; Q914-V1037 HydrophobicContact CG-CG2 4.15Å; Q914-V1042 HydrophobicContact CB-CG1 4.39Å; Q914-V1042 HydrophobicContact CB-CG2 4.23Å; Q914-V1042 HydrophobicContact CG-CG2 3.69Å |
| 915 | G | 94.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.8 | -54.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L911 L912 L913 Y917 I918 D919 | L911-G915 PolarHBondContact O-N 3.06Å; L912-G915 PolarHBondContact O-N 3.35Å; L913-G915 PolarHBondContact O-N 3.49Å; G915-Y917 VanDerWaalsContact C-N 3.31Å; G915-Y917 PolarHBondContact O-N 2.79Å; G915-I918 PolarHBondContact O-N 3.15Å; G915-I918 VanDerWaalsContact O-N 3.16Å; G915-D919 PolarHBondContact O-N 2.91Å; G915-D919 VanDerWaalsContact O-N 3.14Å |
| 916 | R | 91.5 | Very high | 93.5 | Very high | 162 Ų | 162 | 51.4 Ų | 51.4 | 61% | 0.611 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -58 | -43.2 | 176.5 | 179.8 | 177.5 | 178.6 | 169.8 | 4.6 | 112.4 | L912 L913 I918 D919 D920 | L912-R916 PolarHBondContact O-N 3.42Å; L913-R916 PolarHBondContact O-N 3.5Å; R916-I918 VanDerWaalsContact C-N 3.3Å; R916-I918 PolarHBondContact O-N 3.22Å; R916-D919 PolarHBondContact O-N 3.12Å; R916-D919 VanDerWaalsContact O-N 3.13Å; R916-D920 WeakPolarHBondContact CG-OD2 3.41Å; R916-D920 IonicContact NE-OD2 3.04Å; R916-D920 PolarHBondContact NE-OD2 2.88Å; R916-D920 WeakPolarHBondContact O-CB 3.35Å; R916-D920 PolarHBondContact O-N 2.86Å |
| 917 | Y | 93 | Very high | 93.3 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.6 | -42.2 | 178.1 | 172.1 | -107.2 | 0 | 0 | 0 | 111.7 | L913 Q914 G915 T921 E1039 V1042 I1043 L1082 P1084 | L913-Y917 WeakPolarHBondContact O-CB 3.37Å; L913-Y917 PolarHBondContact O-N 3.36Å; Q914-Y917 PolarHBondContact O-N 2.96Å; G915-Y917 VanDerWaalsContact C-N 3.31Å; G915-Y917 PolarHBondContact O-N 2.79Å; Y917-T921 WeakPolarHBondContact CE2-OG1 3.43Å; Y917-T921 WeakPolarHBondContact O-CB 3.48Å; Y917-T921 PolarHBondContact O-N 3.08Å; Y917-T921 PolarHBondContact O-OG1 3.13Å; Y917-E1039 HydrophobicContact CE1-CB 4.15Å; Y917-E1039 HydrophobicContact CE1-CG 4.11Å; Y917-E1039 HydrophobicContact CE2-CG 4.07Å; Y917-E1039 WeakPolarHBondContact OH-CB 3.46Å; Y917-E1039 PolarHBondContact OH-OE2 3.33Å; Y917-V1042 HydrophobicContact CD1-CB 4.39Å; Y917-V1042 HydrophobicContact CD1-CG1 3.8Å; Y917-V1042 HydrophobicContact CE1-CB 4.46Å; Y917-V1042 HydrophobicContact CE1-CG1 4.21Å; Y917-I1043 HydrophobicContact CE1-CG1 4.06Å; Y917-L1082 HydrophobicContact CD2-CB 4.24Å; Y917-L1082 HydrophobicContact CD2-CD2 3.73Å; Y917-L1082 HydrophobicContact CE2-CB 4.45Å; Y917-L1082 HydrophobicContact CE2-CD2 4.23Å; Y917-L1082 HydrophobicContact CG-CD2 4.2Å; Y917-P1084 HydrophobicContact CE2-CG 4.07Å; Y917-P1084 WeakPolarHBondContact OH-CG 2.92Å |
| 918 | I | 94.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.2 | -40.2 | 175 | -72.9 | -61.3 | 0 | 0 | 0 | 111.9 | Q914 G915 R916 A922 V1042 N1046 Y1049 | Q914-I918 WeakPolarHBondContact O-CG1 3.3Å; Q914-I918 PolarHBondContact O-N 3.18Å; G915-I918 PolarHBondContact O-N 3.15Å; G915-I918 VanDerWaalsContact O-N 3.16Å; R916-I918 VanDerWaalsContact C-N 3.3Å; R916-I918 PolarHBondContact O-N 3.22Å; I918-A922 VanDerWaalsContact O-CB 3.24Å; I918-A922 WeakPolarHBondContact O-CB 3.48Å; I918-A922 PolarHBondContact O-N 3.14Å; I918-V1042 HydrophobicContact CD1-CG1 3.54Å; I918-V1042 HydrophobicContact CG1-CG1 3.54Å; I918-N1046 HydrophobicContact CD1-CB 3.82Å; I918-N1046 HydrophobicContact CG1-CB 4.45Å; I918-Y1049 HydrophobicContact CG2-CD1 4.19Å; I918-Y1049 HydrophobicContact CG2-CE1 4.01Å |
| 919 | D | 92.1 | Very high | 92.7 | Very high | 49 Ų | 49 | 49.7 Ų | 49.7 | 26% | 0.262 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.5 | -48.4 | 179 | -56.3 | -32.4 | 0 | 0 | 0 | 111.5 | R848 G915 R916 T921 A922 H923 | R848-D919 WeakPolarHBondContact CD-OD1 3.21Å; R848-D919 VanDerWaalsContact CD-OD2 3.26Å; R848-D919 WeakPolarHBondContact CD-OD2 3.45Å; R848-D919 IonicContact CZ-OD1 2.74Å; R848-D919 IonicContact NE-OD2 3.71Å; R848-D919 IonicContact NH1-OD1 3.68Å; R848-D919 PolarHBondContact NH1-OD1 2.69Å; R848-D919 VanDerWaalsContact NH1-OD1 3.08Å; R848-D919 IonicContact NH1-OD2 2.83Å; G915-D919 PolarHBondContact O-N 2.91Å; G915-D919 VanDerWaalsContact O-N 3.14Å; R916-D919 PolarHBondContact O-N 3.12Å; R916-D919 VanDerWaalsContact O-N 3.13Å; D919-T921 VanDerWaalsContact C-N 3.34Å; D919-T921 PolarHBondContact O-N 3.09Å; D919-A922 PolarHBondContact O-N 2.86Å; D919-H923 WeakPolarHBondContact O-CB 3.44Å; D919-H923 PolarHBondContact O-N 3.39Å |
| 920 | D | 92 | Very high | 92.5 | Very high | 87 Ų | 87 | 49.8 Ų | 49.8 | 47% | 0.465 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 177.9 | -73.9 | -22.8 | 0 | 0 | 0 | 110.4 | R916 H923 A924 | R916-D920 WeakPolarHBondContact CG-OD2 3.41Å; R916-D920 IonicContact NE-OD2 3.04Å; R916-D920 PolarHBondContact NE-OD2 2.88Å; R916-D920 WeakPolarHBondContact O-CB 3.35Å; R916-D920 PolarHBondContact O-N 2.86Å; D920-H923 PolarHBondContact O-N 3.16Å; D920-A924 VanDerWaalsContact O-CB 3.26Å; D920-A924 WeakPolarHBondContact O-CB 3.49Å; D920-A924 PolarHBondContact O-N 3.38Å |
| 921 | T | 93.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.6 | -48.5 | 176.6 | -64.9 | 0 | 0 | 0 | 0 | 111.6 | Y917 D919 H923 A924 F925 P1084 | Y917-T921 WeakPolarHBondContact CE2-OG1 3.43Å; Y917-T921 WeakPolarHBondContact O-CB 3.48Å; Y917-T921 PolarHBondContact O-N 3.08Å; Y917-T921 PolarHBondContact O-OG1 3.13Å; D919-T921 VanDerWaalsContact C-N 3.34Å; D919-T921 PolarHBondContact O-N 3.09Å; T921-H923 VanDerWaalsContact C-N 3.33Å; T921-H923 PolarHBondContact O-N 3.06Å; T921-A924 PolarHBondContact O-N 2.99Å; T921-F925 HydrophobicContact CG2-CD1 4.24Å; T921-F925 HydrophobicContact CG2-CD2 3.83Å; T921-F925 HydrophobicContact CG2-CE1 3.78Å; T921-F925 HydrophobicContact CG2-CE2 3.33Å; T921-F925 HydrophobicContact CG2-CG 4.28Å; T921-F925 HydrophobicContact CG2-CZ 3.3Å; T921-F925 WeakPolarHBondContact O-CB 3.46Å; T921-F925 WeakPolarHBondContact O-CD1 3.4Å; T921-F925 WeakPolarHBondContact O-CG 3.2Å; T921-F925 PolarHBondContact O-N 2.83Å; T921-P1084 HydrophobicContact CG2-CG 3.91Å |
| 922 | A | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.1 | -42.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I918 D919 R926 Y1049 L1050 | I918-A922 VanDerWaalsContact O-CB 3.24Å; I918-A922 WeakPolarHBondContact O-CB 3.48Å; I918-A922 PolarHBondContact O-N 3.14Å; D919-A922 PolarHBondContact O-N 2.86Å; A922-R926 WeakPolarHBondContact O-CD 3.34Å; A922-R926 WeakPolarHBondContact O-CG 3.48Å; A922-R926 PolarHBondContact O-N 3.38Å; A922-Y1049 HydrophobicContact CB-CE1 3.9Å; A922-L1050 HydrophobicContact CB-CD2 3.91Å |
| 923 | H | 93.6 | Very high | 90.9 | Very high | 105 Ų | 105 | 52.7 Ų | 52.7 | 49% | 0.486 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.4 | -47.6 | 175.3 | 178.6 | -107 | 0 | 0 | 0 | 112 | D919 D920 T921 F925 R926 L927 | D919-H923 WeakPolarHBondContact O-CB 3.44Å; D919-H923 PolarHBondContact O-N 3.39Å; D920-H923 PolarHBondContact O-N 3.16Å; T921-H923 VanDerWaalsContact C-N 3.33Å; T921-H923 PolarHBondContact O-N 3.06Å; H923-F925 VanDerWaalsContact C-N 3.35Å; H923-F925 PolarHBondContact O-N 2.99Å; H923-R926 PolarHBondContact O-N 2.96Å; H923-L927 VanDerWaalsContact CE1-CD1 3.45Å; H923-L927 WeakPolarHBondContact CE1-CD1 3.28Å; H923-L927 WeakPolarHBondContact O-CG 3.5Å; H923-L927 PolarHBondContact O-N 3.01Å |
| 924 | A | 92.9 | Very high | 90.3 | Very high | 38 Ų | 38 | 53.4 Ų | 53.4 | 31% | 0.314 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D920 T921 R926 L927 Q928 | D920-A924 VanDerWaalsContact O-CB 3.26Å; D920-A924 WeakPolarHBondContact O-CB 3.49Å; D920-A924 PolarHBondContact O-N 3.38Å; T921-A924 PolarHBondContact O-N 2.99Å; A924-R926 PolarHBondContact O-N 3.35Å; A924-L927 WeakPolarHBondContact O-CB 3.48Å; A924-L927 PolarHBondContact O-N 3.44Å; A924-L927 VanDerWaalsContact O-N 3.16Å; A924-Q928 WeakPolarHBondContact O-CG 3.31Å; A924-Q928 PolarHBondContact O-N 3.43Å |
| 925 | F | 95.6 | Very high | 89 | Confident | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.1 | -39 | 178.8 | -67.3 | -3.8 | 0 | 0 | 0 | 112.2 | T921 H923 L927 Q928 L929 V960 L1050 L1054 P1084 I1086 | T921-F925 HydrophobicContact CG2-CD1 4.24Å; T921-F925 HydrophobicContact CG2-CD2 3.83Å; T921-F925 HydrophobicContact CG2-CE1 3.78Å; T921-F925 HydrophobicContact CG2-CE2 3.33Å; T921-F925 HydrophobicContact CG2-CG 4.28Å; T921-F925 HydrophobicContact CG2-CZ 3.3Å; T921-F925 WeakPolarHBondContact O-CB 3.46Å; T921-F925 WeakPolarHBondContact O-CD1 3.4Å; T921-F925 WeakPolarHBondContact O-CG 3.2Å; T921-F925 PolarHBondContact O-N 2.83Å; H923-F925 VanDerWaalsContact C-N 3.35Å; H923-F925 PolarHBondContact O-N 2.99Å; F925-L927 VanDerWaalsContact C-N 3.32Å; F925-L927 PolarHBondContact O-N 2.81Å; F925-Q928 PolarHBondContact O-N 3.5Å; F925-L929 WeakPolarHBondContact O-CB 3.43Å; F925-L929 PolarHBondContact O-N 3.04Å; F925-V960 HydrophobicContact CE1-CG2 4.47Å; F925-V960 HydrophobicContact CE2-CG1 4.39Å; F925-V960 HydrophobicContact CE2-CG2 3.61Å; F925-V960 HydrophobicContact CZ-CB 4.29Å; F925-V960 HydrophobicContact CZ-CG1 3.68Å; F925-V960 HydrophobicContact CZ-CG2 3.54Å; F925-L1050 HydrophobicContact CD2-CD2 4.43Å; F925-L1054 HydrophobicContact CB-CD1 3.92Å; F925-L1054 HydrophobicContact CB-CD2 3.72Å; F925-L1054 HydrophobicContact CB-CG 4.37Å; F925-L1054 HydrophobicContact CD2-CD1 4.01Å; F925-L1054 HydrophobicContact CG-CD1 4.4Å; F925-P1084 HydrophobicContact CE1-CB 4.3Å; F925-P1084 HydrophobicContact CE1-CG 4.06Å; F925-P1084 HydrophobicContact CZ-CB 4.2Å; F925-P1084 HydrophobicContact CZ-CG 4.11Å; F925-I1086 HydrophobicContact CB-CD1 4.12Å; F925-I1086 HydrophobicContact CB-CG2 4.27Å; F925-I1086 HydrophobicContact CD1-CB 3.63Å; F925-I1086 HydrophobicContact CD1-CD1 4.15Å; F925-I1086 HydrophobicContact CD1-CG2 3.35Å; F925-I1086 HydrophobicContact CD2-CD1 3.73Å; F925-I1086 HydrophobicContact CE1-CB 3.61Å; F925-I1086 HydrophobicContact CE1-CD1 4.5Å; F925-I1086 HydrophobicContact CE1-CG2 3.82Å; F925-I1086 HydrophobicContact CE2-CD1 4.09Å; F925-I1086 HydrophobicContact CG-CB 4.14Å; F925-I1086 HydrophobicContact CG-CD1 3.75Å; F925-I1086 HydrophobicContact CG-CG2 3.91Å; F925-I1086 HydrophobicContact CZ-CB 4.1Å; F925-I1086 HydrophobicContact CZ-CD1 4.46Å |
| 926 | R | 93.1 | Very high | 87.6 | Confident | 67 Ų | 67 | 58.4 Ų | 58.4 | 25% | 0.253 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.1 | -37.5 | 173.3 | -70.8 | 167 | -170 | 157.8 | -6.5 | 111.9 | E851 A922 H923 A924 K930 Y1049 T1053 L1054 | E851-R926 IonicContact OE1-CZ 3.86Å; E851-R926 IonicContact OE1-NH1 3.32Å; E851-R926 IonicContact OE1-NH2 3.68Å; E851-R926 PolarHBondContact OE1-NH2 3.41Å; A922-R926 WeakPolarHBondContact O-CD 3.34Å; A922-R926 WeakPolarHBondContact O-CG 3.48Å; A922-R926 PolarHBondContact O-N 3.38Å; H923-R926 PolarHBondContact O-N 2.96Å; A924-R926 PolarHBondContact O-N 3.35Å; R926-K930 WeakPolarHBondContact O-CG 3.45Å; R926-K930 PolarHBondContact O-N 2.96Å; R926-K930 VanDerWaalsContact O-N 3.11Å; R926-Y1049 PolarHBondContact NH2-OH 3Å; R926-T1053 VanDerWaalsContact CZ-OG1 3.28Å; R926-T1053 PolarHBondContact NE-OG1 3.19Å; R926-T1053 PolarHBondContact NH2-OG1 2.73Å; R926-L1054 HydrophobicContact CG-CD2 4.18Å |
| 927 | L | 91.5 | Very high | 85.8 | Confident | 73 Ų | 73 | 53.9 Ų | 53.9 | 38% | 0.382 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.9 | -44 | 174.5 | -71.4 | 177.9 | 0 | 0 | 0 | 111.7 | H923 A924 F925 L929 K930 Q931 | H923-L927 VanDerWaalsContact CE1-CD1 3.45Å; H923-L927 WeakPolarHBondContact CE1-CD1 3.28Å; H923-L927 WeakPolarHBondContact O-CG 3.5Å; H923-L927 PolarHBondContact O-N 3.01Å; A924-L927 WeakPolarHBondContact O-CB 3.48Å; A924-L927 PolarHBondContact O-N 3.44Å; A924-L927 VanDerWaalsContact O-N 3.16Å; F925-L927 VanDerWaalsContact C-N 3.32Å; F925-L927 PolarHBondContact O-N 2.81Å; L927-L929 VanDerWaalsContact C-N 3.33Å; L927-L929 PolarHBondContact O-N 3.31Å; L927-K930 WeakPolarHBondContact O-CB 3.29Å; L927-K930 PolarHBondContact O-N 3.36Å; L927-Q931 WeakPolarHBondContact O-CG 3.42Å; L927-Q931 PolarHBondContact O-N 3.17Å |
| 928 | Q | 90.8 | Very high | 83.6 | Confident | 77 Ų | 77 | 60.6 Ų | 60.6 | 36% | 0.36 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 176.2 | -69 | -57.7 | -30.4 | 0 | 0 | 111.9 | A924 F925 K930 Q931 Y932 I1086 F1088 | A924-Q928 WeakPolarHBondContact O-CG 3.31Å; A924-Q928 PolarHBondContact O-N 3.43Å; F925-Q928 PolarHBondContact O-N 3.5Å; Q928-K930 PolarHBondContact O-N 2.84Å; Q928-Q931 PolarHBondContact O-N 3.09Å; Q928-Y932 WeakPolarHBondContact O-CB 3.19Å; Q928-Y932 PolarHBondContact O-N 3.49Å; Q928-I1086 HydrophobicContact CB-CG2 3.77Å; Q928-I1086 HydrophobicContact CG-CG2 4.01Å; Q928-F1088 HydrophobicContact CB-CE2 3.9Å |
| 929 | L | 89.2 | Confident | 81.3 | Confident | 18 Ų | 18 | 68.3 Ų | 68.3 | 9% | 0.094 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 173.6 | -178.7 | 57.7 | 0 | 0 | 0 | 111.3 | F925 L927 Q931 Y932 Q933 P955 L1054 F1088 | F925-L929 WeakPolarHBondContact O-CB 3.43Å; F925-L929 PolarHBondContact O-N 3.04Å; L927-L929 VanDerWaalsContact C-N 3.33Å; L927-L929 PolarHBondContact O-N 3.31Å; L929-Q931 VanDerWaalsContact C-N 3.32Å; L929-Q931 PolarHBondContact O-N 3.41Å; L929-Y932 WeakPolarHBondContact O-CB 3.09Å; L929-Y932 PolarHBondContact O-N 3.26Å; L929-Q933 HydrophobicContact CD1-CG 4.39Å; L929-Q933 WeakPolarHBondContact O-CB 3.12Å; L929-Q933 WeakPolarHBondContact O-CG 3.19Å; L929-Q933 PolarHBondContact O-N 2.76Å; L929-P955 HydrophobicContact CD1-CG 3.49Å; L929-P955 VanDerWaalsContact CD1-CG 3.49Å; L929-L1054 HydrophobicContact CD2-CB 4.49Å; L929-L1054 HydrophobicContact CD2-CD2 4.22Å; L929-L1054 WeakPolarHBondContact CD2-O 3.39Å; L929-F1088 HydrophobicContact CB-CE1 4.21Å; L929-F1088 HydrophobicContact CB-CE2 4Å; L929-F1088 HydrophobicContact CB-CZ 3.61Å; L929-F1088 HydrophobicContact CD1-CD1 4.08Å; L929-F1088 HydrophobicContact CD1-CE1 3.83Å; L929-F1088 HydrophobicContact CD1-CE2 4.47Å; L929-F1088 HydrophobicContact CD1-CZ 4.05Å; L929-F1088 HydrophobicContact CG-CE1 4.48Å; L929-F1088 HydrophobicContact CG-CZ 4.35Å |
| 930 | K | 86.3 | Confident | 79.1 | Confident | 134 Ų | 134 | 68.3 Ų | 68.3 | 58% | 0.583 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.3 | -37.3 | 175.4 | -73.4 | 174.8 | -178.8 | 177.8 | 0 | 112.6 | R926 L927 Q928 S934 | R926-K930 WeakPolarHBondContact O-CG 3.45Å; R926-K930 PolarHBondContact O-N 2.96Å; R926-K930 VanDerWaalsContact O-N 3.11Å; L927-K930 WeakPolarHBondContact O-CB 3.29Å; L927-K930 PolarHBondContact O-N 3.36Å; Q928-K930 PolarHBondContact O-N 2.84Å; K930-S934 PolarHBondContact O-N 3.32Å; K930-S934 PolarHBondContact O-OG 3.12Å |
| 931 | Q | 86.2 | Confident | 76.8 | Confident | 109 Ų | 109 | 68.3 Ų | 68.3 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.1 | -42.6 | 176 | -70.7 | 179.4 | 12.2 | 0 | 0 | 112 | L927 Q928 L929 Q933 S934 S935 | L927-Q931 WeakPolarHBondContact O-CG 3.42Å; L927-Q931 PolarHBondContact O-N 3.17Å; Q928-Q931 PolarHBondContact O-N 3.09Å; L929-Q931 VanDerWaalsContact C-N 3.32Å; L929-Q931 PolarHBondContact O-N 3.41Å; Q931-Q933 VanDerWaalsContact C-N 3.31Å; Q931-Q933 PolarHBondContact O-N 2.87Å; Q931-S934 PolarHBondContact O-N 3.04Å; Q931-S934 PolarHBondContact O-OG 3.07Å; Q931-S934 VanDerWaalsContact O-OG 3.05Å; Q931-S935 WeakPolarHBondContact O-CB 3.25Å; Q931-S935 PolarHBondContact O-N 3.46Å; Q931-S935 PolarHBondContact O-OG 3.12Å |
| 932 | Y | 82.9 | Confident | 74.2 | Confident | 36 Ų | 36 | 76.8 Ų | 76.8 | 14% | 0.141 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56.7 | -48.5 | 172.4 | 180 | -87 | 0 | 0 | 0 | 110.7 | Q928 L929 S934 S935 K936 F952 P955 F1088 C1089 | Q928-Y932 WeakPolarHBondContact O-CB 3.19Å; Q928-Y932 PolarHBondContact O-N 3.49Å; L929-Y932 WeakPolarHBondContact O-CB 3.09Å; L929-Y932 PolarHBondContact O-N 3.26Å; Y932-S934 PolarHBondContact O-N 2.82Å; Y932-S935 PolarHBondContact O-N 3.48Å; Y932-S935 PolarHBondContact O-OG 3.34Å; Y932-K936 HydrophobicContact CE1-CG 4.48Å; Y932-K936 PolarHBondContact O-N 2.97Å; Y932-F952 HydrophobicContact CD1-CE2 4.42Å; Y932-F952 HydrophobicContact CD1-CZ 4.26Å; Y932-F952 HydrophobicContact CE1-CE2 4.32Å; Y932-F952 HydrophobicContact CE1-CZ 4.29Å; Y932-P955 HydrophobicContact CD1-CG 4.23Å; Y932-P955 HydrophobicContact CE1-CB 4.22Å; Y932-P955 HydrophobicContact CE1-CG 4.14Å; Y932-F1088 HydrophobicContact CD2-CB 3.81Å; Y932-F1088 HydrophobicContact CD2-CD2 4.49Å; Y932-F1088 HydrophobicContact CE2-CB 3.89Å; Y932-F1088 HydrophobicContact CG-CB 4.15Å; Y932-F1088 HydrophobicContact CG-CD2 4.39Å; Y932-F1088 HydrophobicContact CG-CG 4.49Å; Y932-C1089 PolarHBondContact OH-O 2.84Å |
| 933 | Q | 77 | Confident | 71.7 | Confident | 65 Ų | 65 | 80.3 Ų | 80.3 | 30% | 0.304 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 178.1 | -72.7 | 171.9 | -12.8 | 0 | 0 | 112.8 | L929 Q931 S937 F952 | L929-Q933 HydrophobicContact CD1-CG 4.39Å; L929-Q933 WeakPolarHBondContact O-CB 3.12Å; L929-Q933 WeakPolarHBondContact O-CG 3.19Å; L929-Q933 PolarHBondContact O-N 2.76Å; Q931-Q933 VanDerWaalsContact C-N 3.31Å; Q931-Q933 PolarHBondContact O-N 2.87Å; Q933-S937 PolarHBondContact O-N 2.91Å; Q933-F952 HydrophobicContact CB-CE1 4.27Å; Q933-F952 HydrophobicContact CB-CE2 4.32Å; Q933-F952 HydrophobicContact CB-CZ 3.98Å; Q933-F952 HydrophobicContact CG-CD1 4.48Å; Q933-F952 HydrophobicContact CG-CE1 3.53Å; Q933-F952 HydrophobicContact CG-CE2 4.19Å; Q933-F952 HydrophobicContact CG-CZ 3.37Å |
| 934 | S | 76.4 | Confident | 69 | Low | 60 Ų | 60 | 82.3 Ų | 82.3 | 42% | 0.42 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70.6 | -39.9 | -179.1 | 67.4 | 0 | 0 | 0 | 0 | 112.8 | K930 Q931 Y932 K936 S937 F938 | K930-S934 PolarHBondContact O-N 3.32Å; K930-S934 PolarHBondContact O-OG 3.12Å; Q931-S934 PolarHBondContact O-N 3.04Å; Q931-S934 PolarHBondContact O-OG 3.07Å; Q931-S934 VanDerWaalsContact O-OG 3.05Å; Y932-S934 PolarHBondContact O-N 2.82Å; S934-K936 VanDerWaalsContact C-N 3.28Å; S934-K936 PolarHBondContact O-N 3.35Å; S934-S937 PolarHBondContact O-N 3.13Å; S934-F938 WeakPolarHBondContact O-CD2 3.43Å; S934-F938 PolarHBondContact O-N 3.38Å; S934-F938 VanDerWaalsContact O-N 3.1Å |
| 935 | S | 68.9 | Low | 66.5 | Low | 62 Ų | 62 | 84.2 Ų | 84.2 | 43% | 0.434 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.7 | -34.5 | 179.9 | 73.7 | 0 | 0 | 0 | 0 | 113 | Q931 Y932 | Q931-S935 WeakPolarHBondContact O-CB 3.25Å; Q931-S935 PolarHBondContact O-N 3.46Å; Q931-S935 PolarHBondContact O-OG 3.12Å; Y932-S935 PolarHBondContact O-N 3.48Å; Y932-S935 PolarHBondContact O-OG 3.34Å |
| 936 | K | 63.4 | Low | 63.6 | Low | 73 Ų | 73 | 87.7 Ų | 87.7 | 32% | 0.317 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -80.5 | -33.8 | 177.4 | -68.7 | -79.5 | -173.3 | 164 | 0 | 112 | Y932 S934 F938 K939 S940 F952 E1090 | Y932-K936 HydrophobicContact CE1-CG 4.48Å; Y932-K936 PolarHBondContact O-N 2.97Å; S934-K936 VanDerWaalsContact C-N 3.28Å; S934-K936 PolarHBondContact O-N 3.35Å; K936-F938 VanDerWaalsContact C-N 3.34Å; K936-F938 PolarHBondContact O-N 2.79Å; K936-K939 PolarHBondContact O-N 2.85Å; K936-S940 PolarHBondContact O-N 3.17Å; K936-F952 HydrophobicContact CB-CD2 4.15Å; K936-F952 HydrophobicContact CB-CE2 4.05Å; K936-E1090 IonicContact NZ-OE1 3.35Å; K936-E1090 PolarHBondContact NZ-OE1 3.19Å |
| 937 | S | 53.3 | Low | 61 | Low | 66 Ų | 66 | 94 Ų | 94 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -38.4 | 171.7 | 170.3 | 0 | 0 | 0 | 0 | 112.8 | Q933 S934 S940 | Q933-S937 PolarHBondContact O-N 2.91Å; S934-S937 PolarHBondContact O-N 3.13Å; S937-S940 PolarHBondContact O-N 3.31Å; S937-S940 PolarHBondContact O-OG 3.45Å |
| 938 | F | 47.3 | Very low | 58.3 | Low | 147 Ų | 147 | 94 Ų | 94 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -72.6 | -27.3 | 177.8 | -92.1 | -86 | 0 | 0 | 0 | 114.1 | S934 K936 S940 S941 | S934-F938 WeakPolarHBondContact O-CD2 3.43Å; S934-F938 PolarHBondContact O-N 3.38Å; S934-F938 VanDerWaalsContact O-N 3.1Å; K936-F938 VanDerWaalsContact C-N 3.34Å; K936-F938 PolarHBondContact O-N 2.79Å; F938-S940 VanDerWaalsContact C-N 3.28Å; F938-S940 PolarHBondContact O-N 3.42Å; F938-S941 PolarHBondContact O-OG 3.01Å |
| 939 | K | 47.2 | Very low | 55.8 | Low | 165 Ų | 165 | 96.8 Ų | 96.8 | 72% | 0.717 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.2 | -27.2 | 174.1 | -79.2 | -174.7 | 176.9 | 179.8 | 0 | 112 | K936 | K936-K939 PolarHBondContact O-N 2.85Å |
| 940 | S | 45.6 | Very low | 53.6 | Low | 48 Ų | 48 | 100.1 Ų | 100.1 | 34% | 0.336 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -79.7 | -25.7 | 176.4 | 75.3 | 0 | 0 | 0 | 0 | 113.7 | K936 S937 F938 S943 | K936-S940 PolarHBondContact O-N 3.17Å; S937-S940 PolarHBondContact O-N 3.31Å; S937-S940 PolarHBondContact O-OG 3.45Å; F938-S940 VanDerWaalsContact C-N 3.28Å; F938-S940 PolarHBondContact O-N 3.42Å; S940-S943 PolarHBondContact O-OG 3.12Å; S940-S943 VanDerWaalsContact O-OG 3.06Å |
| 941 | S | 42.9 | Very low | 51.8 | Low | 87 Ų | 87 | 100.2 Ų | 100.2 | 61% | 0.608 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -78.9 | -16.9 | 179.6 | 66.1 | 0 | 0 | 0 | 0 | 114.6 | F938 | F938-S941 PolarHBondContact O-OG 3.01Å |
| 942 | K | 41 | Very low | 50.5 | Low | 181 Ų | 181 | 98.6 Ų | 98.6 | 79% | 0.787 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -7.4 | 175.5 | -80.7 | -171.4 | 177.4 | -179.8 | 0 | 114.5 | V944 | K942-V944 PolarHBondContact O-N 2.72Å; K942-V944 VanDerWaalsContact O-N 3.11Å |
| 943 | S | 41.5 | Very low | 49.6 | Very low | 74 Ų | 74 | 99.6 Ų | 99.6 | 52% | 0.517 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -78.9 | 98.2 | 168.4 | 59.7 | 0 | 0 | 0 | 0 | 109.7 | S940 G945 | S940-S943 PolarHBondContact O-OG 3.12Å; S940-S943 VanDerWaalsContact O-OG 3.06Å; S943-G945 PolarHBondContact O-N 2.83Å |
| 944 | V | 36.7 | Very low | 49.3 | Very low | 148 Ų | 148 | 99.2 Ų | 99.2 | 90% | 0.897 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.2 | 121 | 168.7 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | K942 | K942-V944 PolarHBondContact O-N 2.72Å; K942-V944 VanDerWaalsContact O-N 3.11Å |
| 945 | G | 39.2 | Very low | 49.4 | Very low | 77 Ų | 77 | 96.5 Ų | 96.5 | 79% | 0.794 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.3 | -2.2 | 145.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | S943 | S943-G945 PolarHBondContact O-N 2.83Š|
| 946 | S | 35.3 | Very low | 49.7 | Very low | 75 Ų | 75 | 93.9 Ų | 93.9 | 52% | 0.524 | 53% | 0.528 | S | S | . | . | trans | -127.7 | 126.5 | 175.3 | 66.7 | 0 | 0 | 0 | 0 | 113.1 | S948 | S946-S948 PolarHBondContact O-N 3.22Å; S946-S948 PolarHBondContact OG-OG 3.17Å; S946-S948 VanDerWaalsContact OG-OG 3.12Å | ||
| 947 | H | 37.6 | Very low | 50.8 | Low | 200 Ų | 200 | 91.5 Ų | 91.5 | 93% | 0.926 | 52% | 0.519 | S | S | * | . | trans | -65.5 | 23 | 173.5 | -79.1 | 68 | 0 | 0 | 0 | 114.1 | V949 | H947-V949 PolarHBondContact O-N 3.39Š| ||
| 948 | S | 35.9 | Very low | 52.7 | Low | 71 Ų | 71 | 88.4 Ų | 88.4 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | trans | -74 | 96.8 | 166.2 | 51.2 | 0 | 0 | 0 | 0 | 107.4 | S946 T950 | S946-S948 PolarHBondContact O-N 3.22Å; S946-S948 PolarHBondContact OG-OG 3.17Å; S946-S948 VanDerWaalsContact OG-OG 3.12Å; S948-T950 PolarHBondContact O-N 2.97Å | ||
| 949 | V | 37.9 | Very low | 54.9 | Low | 137 Ų | 137 | 82.7 Ų | 82.7 | 83% | 0.83 | 47% | 0.474 | S | S | * | . | trans | -59.8 | 86.3 | 154.5 | -178.5 | 0 | 0 | 0 | 0 | 105.1 | H947 Q951 | H947-V949 PolarHBondContact O-N 3.39Å; V949-Q951 VanDerWaalsContact C-N 3.29Å; V949-Q951 PolarHBondContact O-N 3.31Å | ||
| 950 | T | 42.2 | Very low | 57.1 | Low | 88 Ų | 88 | 74.8 Ų | 74.8 | 54% | 0.54 | 44% | 0.44 | S | S | . | . | trans | -65.6 | 100.7 | 170.7 | 22.6 | 0 | 0 | 0 | 0 | 104.8 | S948 F952 | S948-T950 PolarHBondContact O-N 2.97Å; T950-F952 PolarHBondContact O-N 3.46Å; T950-F952 VanDerWaalsContact O-N 3.17Å | ||
| 951 | Q | 50 | Low | 59.4 | Low | 136 Ų | 136 | 74 Ų | 74 | 64% | 0.636 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -59 | 120.1 | -177.3 | -156 | 171.2 | 4.6 | 0 | 0 | 107.1 | V949 I953 | V949-Q951 VanDerWaalsContact C-N 3.29Å; V949-Q951 PolarHBondContact O-N 3.31Å; Q951-I953 PolarHBondContact O-N 2.92Å |
| 952 | F | 58 | Low | 61.8 | Low | 74 Ų | 74 | 69.9 Ų | 69.9 | 33% | 0.325 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 126.6 | 178.1 | 166.4 | -92.3 | 0 | 0 | 0 | 109.3 | Y932 Q933 K936 T950 P954 | Y932-F952 HydrophobicContact CD1-CE2 4.42Å; Y932-F952 HydrophobicContact CD1-CZ 4.26Å; Y932-F952 HydrophobicContact CE1-CE2 4.32Å; Y932-F952 HydrophobicContact CE1-CZ 4.29Å; Q933-F952 HydrophobicContact CB-CE1 4.27Å; Q933-F952 HydrophobicContact CB-CE2 4.32Å; Q933-F952 HydrophobicContact CB-CZ 3.98Å; Q933-F952 HydrophobicContact CG-CD1 4.48Å; Q933-F952 HydrophobicContact CG-CE1 3.53Å; Q933-F952 HydrophobicContact CG-CE2 4.19Å; Q933-F952 HydrophobicContact CG-CZ 3.37Å; K936-F952 HydrophobicContact CB-CD2 4.15Å; K936-F952 HydrophobicContact CB-CE2 4.05Å; T950-F952 PolarHBondContact O-N 3.46Å; T950-F952 VanDerWaalsContact O-N 3.17Å; F952-P954 VanDerWaalsContact CE1-CA 3.47Å; F952-P954 HydrophobicContact CE1-CB 4.03Å |
| 953 | I | 65.1 | Low | 64.1 | Low | 58 Ų | 58 | 61.4 Ų | 61.4 | 30% | 0.297 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -95.1 | 117.9 | 177.2 | -57.7 | 164.7 | 0 | 0 | 0 | 107.7 | Q951 P1091 T1094 T1115 F1117 | Q951-I953 PolarHBondContact O-N 2.92Å; I953-P1091 HydrophobicContact CB-CB 4.29Å; I953-P1091 HydrophobicContact CB-CG 4.04Å; I953-P1091 HydrophobicContact CG2-CB 3.64Å; I953-P1091 HydrophobicContact CG2-CG 3.85Å; I953-T1094 HydrophobicContact CD1-CG2 4.49Å; I953-T1094 WeakPolarHBondContact CD1-OG1 3.49Å; I953-T1094 HydrophobicContact CG2-CG2 4.01Å; I953-T1115 HydrophobicContact CG2-CG2 4.39Å; I953-F1117 HydrophobicContact CG2-CE1 3.79Å; I953-F1117 HydrophobicContact CG2-CZ 4.17Å |
| 954 | P | 69.5 | Low | 66.1 | Low | 56 Ų | 56 | 64 Ų | 64 | 36% | 0.364 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 148.5 | 175.7 | 27.1 | -32.7 | 0 | 0 | 0 | 111.1 | F952 S956 | F952-P954 VanDerWaalsContact CE1-CA 3.47Å; F952-P954 HydrophobicContact CE1-CB 4.03Å; P954-S956 PolarHBondContact O-N 3.18Å |
| 955 | P | 78.9 | Confident | 68.3 | Low | 4 Ų | 4 | 59.8 Ų | 59.8 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 136.2 | 176.4 | 27.6 | -33.5 | 0 | 0 | 0 | 110.3 | L929 Y932 F1088 | L929-P955 HydrophobicContact CD1-CG 3.49Å; L929-P955 VanDerWaalsContact CD1-CG 3.49Å; Y932-P955 HydrophobicContact CD1-CG 4.23Å; Y932-P955 HydrophobicContact CE1-CB 4.22Å; Y932-P955 HydrophobicContact CE1-CG 4.14Å; P955-F1088 HydrophobicContact CB-CB 3.88Å; P955-F1088 HydrophobicContact CB-CD1 4.05Å; P955-F1088 HydrophobicContact CB-CG 4.34Å; P955-F1088 HydrophobicContact CG-CB 4.02Å; P955-F1088 HydrophobicContact CG-CD1 3.6Å; P955-F1088 HydrophobicContact CG-CE1 4.41Å; P955-F1088 HydrophobicContact CG-CG 4Å |
| 956 | S | 76 | Confident | 70.5 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -83.4 | -26.7 | 175.3 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | P954 R1057 | P954-S956 PolarHBondContact O-N 3.18Å; S956-R1057 WeakPolarHBondContact O-CB 3.18Å; S956-R1057 PolarHBondContact O-N 3.34Å |
| 957 | D | 85.9 | Confident | 72.8 | Confident | 23 Ų | 23 | 54.8 Ų | 54.8 | 12% | 0.123 | 30% | 0.295 | C | S | . | . | trans | -139.1 | 154.4 | -170 | -64.7 | -83.1 | 0 | 0 | 0 | 111.7 | R1057 G1061 C1089 | D957-R1057 IonicContact OD1-CZ 3.34Å; D957-R1057 IonicContact OD1-NE 3.09Å; D957-R1057 IonicContact OD1-NH2 3.88Å; D957-R1057 PolarHBondContact OD1-NH2 3.34Å; D957-R1057 IonicContact OD2-CZ 3.45Å; D957-R1057 VanDerWaalsContact OD2-CZ 3.25Å; D957-R1057 IonicContact OD2-NH1 2.76Å; D957-R1057 PolarHBondContact OD2-NH1 2.87Å; D957-R1057 IonicContact OD2-NH2 3.24Å; D957-R1057 PolarHBondContact OD2-NH2 3.3Å; D957-G1061 CarbonylContact C-O 3.31Å; D957-G1061 VanDerWaalsContact CA-O 3.23Å; D957-G1061 WeakPolarHBondContact CA-O 3.39Å; D957-G1061 WeakPolarHBondContact OD1-CA 3.38Å; D957-C1089 HydrophobicContact CB-CB 3.95Å; D957-C1089 WeakPolarHBondContact O-CB 3.49Å; D957-C1089 PolarHBondContact O-N 3.24Å | ||
| 958 | A | 92.4 | Very high | 75 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 156.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1056 G1061 L1062 K1063 I1086 L1087 F1088 | A958-L1056 HydrophobicContact CB-CD1 3.95Å; A958-L1056 HydrophobicContact CB-CD2 4.42Å; A958-G1061 PolarHBondContact N-O 2.96Å; A958-L1062 HydrophobicContact CB-CD1 3.78Å; A958-L1062 WeakPolarHBondContact O-CA 3.39Å; A958-K1063 PolarHBondContact O-N 3.27Å; A958-I1086 HydrophobicContact CB-CD1 3.83Å; A958-I1086 HydrophobicContact CB-CG1 3.86Å; A958-L1087 CarbonylContact C-O 3.48Å; A958-L1087 VanDerWaalsContact CA-O 3.31Å; A958-L1087 WeakPolarHBondContact CA-O 3.36Å; A958-F1088 HydrophobicContact CB-CD1 3.73Å; A958-F1088 HydrophobicContact CB-CE1 4.04Å; A958-F1088 HydrophobicContact CB-CG 4.41Å |
| 959 | V | 93.5 | Very high | 77.4 | Confident | 27 Ų | 27 | 48.1 Ų | 48.1 | 16% | 0.164 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.2 | 172.5 | -176 | 0 | 0 | 0 | 0 | 108.4 | W961 K1063 N1065 L1087 | V959-W961 HydrophobicContact CG1-CZ2 4.17Å; V959-K1063 CarbonylContact C-O 3.54Å; V959-K1063 WeakPolarHBondContact CA-O 3.23Å; V959-K1063 HydrophobicContact CG2-CB 4.42Å; V959-N1065 WeakPolarHBondContact CG1-ND2 3.2Å; V959-L1087 PolarHBondContact N-O 3.11Å; V959-L1087 PolarHBondContact O-N 3.1Å |
| 960 | V | 95 | Very high | 79.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 133.3 | 173.4 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | F925 V962 I1043 L1062 K1063 I1064 N1065 P1084 L1085 I1086 | F925-V960 HydrophobicContact CE1-CG2 4.47Å; F925-V960 HydrophobicContact CE2-CG1 4.39Å; F925-V960 HydrophobicContact CE2-CG2 3.61Å; F925-V960 HydrophobicContact CZ-CB 4.29Å; F925-V960 HydrophobicContact CZ-CG1 3.68Å; F925-V960 HydrophobicContact CZ-CG2 3.54Å; V960-V962 HydrophobicContact CG1-CG1 4.08Å; V960-I1043 HydrophobicContact CG1-CD1 3.83Å; V960-L1062 HydrophobicContact CG2-CD1 3.54Å; V960-L1062 HydrophobicContact CG2-CD2 4.4Å; V960-L1062 HydrophobicContact CG2-CG 4.13Å; V960-K1063 PolarHBondContact N-O 2.94Å; V960-I1064 WeakPolarHBondContact O-CA 3.41Å; V960-N1065 PolarHBondContact O-N 2.69Å; V960-P1084 HydrophobicContact CG1-CB 4Å; V960-L1085 CarbonylContact C-O 3.25Å; V960-L1085 WeakPolarHBondContact CA-O 3.19Å; V960-I1086 HydrophobicContact CG2-CB 4.12Å; V960-I1086 HydrophobicContact CG2-CD1 3.96Å; V960-I1086 HydrophobicContact CG2-CG1 3.88Å |
| 961 | W | 93.9 | Very high | 82 | Confident | 32 Ų | 32 | 38.6 Ų | 38.6 | 12% | 0.121 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 124.8 | 174 | -60.3 | 92.1 | 0 | 0 | 0 | 109.4 | V959 N1065 Y1066 I1075 V1079 P1084 L1085 | V959-W961 HydrophobicContact CG1-CZ2 4.17Å; W961-N1065 WeakPolarHBondContact CA-O 3.36Å; W961-N1065 HydrophobicContact CD2-CB 4.13Å; W961-N1065 HydrophobicContact CE3-CB 3.53Å; W961-N1065 HydrophobicContact CH2-CB 4.03Å; W961-N1065 HydrophobicContact CZ3-CB 3.48Å; W961-N1065 VanDerWaalsContact CZ3-CB 3.48Å; W961-Y1066 WeakPolarHBondContact CZ3-O 3.46Å; W961-I1075 HydrophobicContact CB-CG2 3.94Å; W961-I1075 HydrophobicContact CD2-CD1 4.43Å; W961-I1075 HydrophobicContact CD2-CG2 3.77Å; W961-I1075 HydrophobicContact CE3-CG2 4.08Å; W961-I1075 HydrophobicContact CG-CG2 3.7Å; W961-I1075 HydrophobicContact CZ2-CD1 4.27Å; W961-V1079 HydrophobicContact CB-CG2 3.97Å; W961-V1079 WeakPolarHBondContact O-CG1 3.45Å; W961-P1084 WeakPolarHBondContact O-CA 3.21Å; W961-L1085 HydrophobicContact CB-CB 4.38Å; W961-L1085 PolarHBondContact N-O 3.44Å; W961-L1085 PolarHBondContact O-N 3.47Å |
| 962 | V | 93.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 149 | 177.6 | -62.9 | 0 | 0 | 0 | 0 | 110.7 | V960 E1039 C1040 I1043 I1064 N1065 Y1066 S1067 P1084 | V960-V962 HydrophobicContact CG1-CG1 4.08Å; V962-E1039 HydrophobicContact CB-CB 4.09Å; V962-E1039 HydrophobicContact CG1-CB 4.04Å; V962-C1040 HydrophobicContact CG2-CB 4.02Å; V962-I1043 HydrophobicContact CG1-CD1 3.69Å; V962-I1064 HydrophobicContact CG1-CG2 4.35Å; V962-I1064 HydrophobicContact CG2-CG2 4.18Å; V962-N1065 PolarHBondContact N-O 2.79Å; V962-Y1066 HydrophobicContact CG2-CD1 3.75Å; V962-Y1066 HydrophobicContact CG2-CE1 3.95Å; V962-Y1066 WeakPolarHBondContact O-CA 3.1Å; V962-S1067 PolarHBondContact O-N 3.28Å; V962-P1084 HydrophobicContact CG1-CB 4.17Å |
| 963 | A | 88 | Confident | 85.5 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 3% | 0.025 | 17% | 0.174 | C | C | . | . | trans | -77 | 133.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110 | L1035 V1079 P1081 | A963-L1035 WeakPolarHBondContact O-CD1 3.22Å; A963-V1079 HydrophobicContact CB-CG1 4.26Å; A963-P1081 HydrophobicContact CB-CG 4.05Å | ||
| 964 | K | 84.5 | Confident | 86.7 | Confident | 129 Ų | 129 | 28.4 Ų | 28.4 | 56% | 0.561 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -89.4 | -24 | 172.8 | -165.1 | 174.2 | 179.5 | 179 | 0 | 112.7 | L1035 Y1066 | K964-L1035 VanDerWaalsContact C-CD1 3.5Å; K964-L1035 VanDerWaalsContact O-CD1 3.29Å; K964-L1035 WeakPolarHBondContact O-CD1 3.43Å; K964-Y1066 HydrophobicContact CB-CD1 3.59Å; K964-Y1066 HydrophobicContact CB-CE1 4.05Å; K964-Y1066 HydrophobicContact CB-CG 4.15Å; K964-Y1066 HydrophobicContact CD-CD1 4.17Å; K964-Y1066 HydrophobicContact CD-CD2 4.35Å; K964-Y1066 HydrophobicContact CD-CE1 4.32Å; K964-Y1066 HydrophobicContact CD-CE2 4.49Å; K964-Y1066 HydrophobicContact CD-CG 4.18Å; K964-Y1066 HydrophobicContact CG-CD1 3.96Å; K964-Y1066 HydrophobicContact CG-CE1 3.98Å; K964-Y1066 HydrophobicContact CG-CG 4.46Å |
| 965 | A | 83.3 | Confident | 87.9 | Confident | 59 Ų | 59 | 30.7 Ų | 30.7 | 49% | 0.488 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -153.5 | 168.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||
| 966 | Y | 83.9 | Confident | 88.5 | Confident | 31 Ų | 31 | 31.5 Ų | 31.5 | 12% | 0.122 | 17% | 0.17 | C | C | . | . | trans | -57.3 | 131.7 | 169.9 | -75.3 | -83.5 | 0 | 0 | 0 | 110.5 | Q970 L974 F1015 L1033 L1035 P1081 | Y966-Q970 HydrophobicContact CD1-CB 3.91Å; Y966-Q970 HydrophobicContact CG-CB 4.5Å; Y966-L974 HydrophobicContact CD1-CD1 3.79Å; Y966-L974 HydrophobicContact CD2-CD1 3.83Å; Y966-L974 HydrophobicContact CE1-CD1 3.76Å; Y966-L974 HydrophobicContact CE2-CD1 3.79Å; Y966-L974 HydrophobicContact CG-CD1 3.82Å; Y966-F1015 HydrophobicContact CD1-CZ 4.38Å; Y966-F1015 HydrophobicContact CE1-CZ 4.18Å; Y966-L1033 WeakPolarHBondContact CD2-O 3.48Å; Y966-L1035 HydrophobicContact CD2-CD2 4.23Å; Y966-L1035 HydrophobicContact CE2-CD2 4.15Å; Y966-P1081 HydrophobicContact CD1-CG 3.69Å; Y966-P1081 HydrophobicContact CD2-CG 4.47Å; Y966-P1081 HydrophobicContact CE1-CB 4.23Å; Y966-P1081 HydrophobicContact CE1-CG 3.78Å; Y966-P1081 HydrophobicContact CG-CG 4.06Å | ||
| 967 | P | 84 | Confident | 89.4 | Confident | 16 Ų | 16 | 31.3 Ų | 31.3 | 10% | 0.104 | 17% | 0.168 | C | C | . | . | trans | -50.4 | 149.1 | 167.5 | -26.9 | 33.1 | 0 | 0 | 0 | 111.1 | W969 Q970 A971 V1079 | P967-W969 PolarHBondContact O-N 3.13Å; P967-Q970 PolarHBondContact O-N 2.89Å; P967-A971 PolarHBondContact O-N 2.8Å; P967-V1079 WeakPolarHBondContact CG-O 3.39Å | ||
| 968 | T | 83.5 | Confident | 89.6 | Confident | 121 Ų | 121 | 32.4 Ų | 32.4 | 74% | 0.742 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -50.1 | -40.2 | -174.1 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | Q972 | T968-Q972 WeakPolarHBondContact O-CB 3.44Å; T968-Q972 PolarHBondContact O-N 3.36Å |
| 969 | W | 87.3 | Confident | 89.6 | Confident | 9 Ų | 9 | 36.2 Ų | 36.2 | 3% | 0.034 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.7 | -35.6 | 178.4 | 75.4 | -92 | 0 | 0 | 0 | 113.3 | P967 I973 M1005 M1008 R1011 F1015 E1077 | P967-W969 PolarHBondContact O-N 3.13Å; W969-I973 HydrophobicContact CE3-CD1 3.54Å; W969-I973 HydrophobicContact CZ3-CD1 3.66Å; W969-I973 WeakPolarHBondContact O-CD1 3.31Å; W969-I973 VanDerWaalsContact O-CG1 3.26Å; W969-I973 WeakPolarHBondContact O-CG1 3.2Å; W969-I973 PolarHBondContact O-N 2.96Å; W969-M1005 HydrophobicContact CB-CB 4.09Å; W969-M1005 HydrophobicContact CB-CG 3.8Å; W969-M1005 HydrophobicContact CB-SD 4.44Å; W969-M1008 HydrophobicContact CD2-CB 3.88Å; W969-M1008 HydrophobicContact CD2-CG 4.49Å; W969-M1008 HydrophobicContact CE3-CB 4.5Å; W969-M1008 HydrophobicContact CG-CB 3.92Å; W969-M1008 HydrophobicContact CG-CG 4.4Å; W969-R1011 HydrophobicContact CH2-CB 3.91Å; W969-R1011 HydrophobicContact CZ3-CB 4.3Å; W969-F1015 HydrophobicContact CH2-CB 4.03Å; W969-F1015 HydrophobicContact CH2-CG 4.19Å; W969-F1015 HydrophobicContact CZ3-CB 3.9Å; W969-F1015 HydrophobicContact CZ3-CD1 4.18Å; W969-F1015 HydrophobicContact CZ3-CG 4.12Å; W969-E1077 PolarHBondContact NE1-O 2.74Å |
| 970 | Q | 88.4 | Confident | 89.5 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -74.2 | -43.5 | 175.1 | -72.6 | -173.3 | -32.6 | 0 | 0 | 111 | Y966 P967 Q972 I973 L974 F1015 C1080 | Y966-Q970 HydrophobicContact CD1-CB 3.91Å; Y966-Q970 HydrophobicContact CG-CB 4.5Å; P967-Q970 PolarHBondContact O-N 2.89Å; Q970-Q972 VanDerWaalsContact C-N 3.31Å; Q970-Q972 PolarHBondContact O-N 2.78Å; Q970-I973 PolarHBondContact O-N 2.77Å; Q970-I973 VanDerWaalsContact O-N 3.09Å; Q970-L974 WeakPolarHBondContact O-CG 3.48Å; Q970-L974 PolarHBondContact O-N 3.13Å; Q970-F1015 HydrophobicContact CB-CD1 4.41Å; Q970-F1015 HydrophobicContact CB-CE1 3.73Å; Q970-F1015 HydrophobicContact CB-CZ 3.84Å; Q970-F1015 HydrophobicContact CG-CD1 4.08Å; Q970-F1015 HydrophobicContact CG-CD2 4.37Å; Q970-F1015 HydrophobicContact CG-CE1 3.79Å; Q970-F1015 HydrophobicContact CG-CE2 4.1Å; Q970-F1015 HydrophobicContact CG-CG 4.36Å; Q970-F1015 HydrophobicContact CG-CZ 3.8Å; Q970-F1015 VanDerWaalsContact NE2-CE2 3.28Å; Q970-C1080 PolarHBondContact NE2-SG 3.47Å; Q970-C1080 VanDerWaalsContact NE2-SG 3.45Å |
| 971 | A | 87.8 | Confident | 89.3 | Confident | 17 Ų | 17 | 39.6 Ų | 39.6 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.8 | -46.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | P967 I973 L974 E975 L1033 | P967-A971 PolarHBondContact O-N 2.8Å; A971-I973 VanDerWaalsContact C-N 3.31Å; A971-I973 PolarHBondContact O-N 2.78Å; A971-L974 PolarHBondContact O-N 3.3Å; A971-E975 WeakPolarHBondContact O-CB 3.45Å; A971-E975 WeakPolarHBondContact O-CG 3.42Å; A971-E975 PolarHBondContact O-N 3.38Å; A971-L1033 HydrophobicContact CB-CD2 3.68Å |
| 972 | Q | 89.4 | Confident | 89 | Confident | 53 Ų | 53 | 39.7 Ų | 39.7 | 25% | 0.248 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.8 | -36.3 | 176.4 | -173.8 | 165.9 | 57.8 | 0 | 0 | 112.9 | T968 Q970 I976 H1001 M1005 | T968-Q972 WeakPolarHBondContact O-CB 3.44Å; T968-Q972 PolarHBondContact O-N 3.36Å; Q970-Q972 VanDerWaalsContact C-N 3.31Å; Q970-Q972 PolarHBondContact O-N 2.78Å; Q972-I976 HydrophobicContact CG-CD1 4.07Å; Q972-I976 WeakPolarHBondContact O-CB 3.33Å; Q972-I976 WeakPolarHBondContact O-CD1 3.3Å; Q972-I976 WeakPolarHBondContact O-CG1 3.26Å; Q972-I976 PolarHBondContact O-N 3.29Å; Q972-I976 VanDerWaalsContact O-N 3.08Å; Q972-H1001 VanDerWaalsContact CD-ND1 3.35Å; Q972-H1001 HydrophobicContact CG-CB 4.49Å; Q972-H1001 PolarHBondContact NE2-ND1 3.46Å; Q972-M1005 HydrophobicContact CB-CE 4.37Å; Q972-M1005 HydrophobicContact CG-CE 4.24Å |
| 973 | I | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.1 | -46.4 | 174.4 | -68.4 | 165.3 | 0 | 0 | 0 | 110.8 | W969 Q970 A971 E975 I976 M977 L998 M1005 A1012 F1015 V1016 | W969-I973 HydrophobicContact CE3-CD1 3.54Å; W969-I973 HydrophobicContact CZ3-CD1 3.66Å; W969-I973 WeakPolarHBondContact O-CD1 3.31Å; W969-I973 VanDerWaalsContact O-CG1 3.26Å; W969-I973 WeakPolarHBondContact O-CG1 3.2Å; W969-I973 PolarHBondContact O-N 2.96Å; Q970-I973 PolarHBondContact O-N 2.77Å; Q970-I973 VanDerWaalsContact O-N 3.09Å; A971-I973 VanDerWaalsContact C-N 3.31Å; A971-I973 PolarHBondContact O-N 2.78Å; I973-E975 VanDerWaalsContact C-N 3.34Å; I973-E975 PolarHBondContact O-N 2.98Å; I973-I976 PolarHBondContact O-N 2.93Å; I973-M977 HydrophobicContact CG2-CG 4.32Å; I973-M977 HydrophobicContact CG2-SD 3.89Å; I973-M977 WeakPolarHBondContact O-CB 3.49Å; I973-M977 VanDerWaalsContact O-CG 3.31Å; I973-M977 WeakPolarHBondContact O-CG 3.38Å; I973-M977 PolarHBondContact O-N 3.43Å; I973-L998 HydrophobicContact CB-CD2 4.4Å; I973-L998 HydrophobicContact CG1-CD2 3.71Å; I973-M1005 HydrophobicContact CD1-CE 4.37Å; I973-M1005 HydrophobicContact CD1-SD 4.48Å; I973-M1005 HydrophobicContact CG1-CE 3.86Å; I973-A1012 HydrophobicContact CD1-CB 3.77Å; I973-F1015 HydrophobicContact CB-CD1 4.14Å; I973-F1015 HydrophobicContact CB-CE1 4.29Å; I973-F1015 HydrophobicContact CD1-CD1 3.91Å; I973-F1015 HydrophobicContact CG2-CD1 3.89Å; I973-F1015 HydrophobicContact CG2-CE1 4.21Å; I973-V1016 HydrophobicContact CG2-CG2 3.6Å |
| 974 | L | 91.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 179 | -68 | 174.4 | 0 | 0 | 0 | 111.4 | Y966 Q970 A971 M977 A978 F1015 V1019 L1031 L1033 | Y966-L974 HydrophobicContact CD1-CD1 3.79Å; Y966-L974 HydrophobicContact CD2-CD1 3.83Å; Y966-L974 HydrophobicContact CE1-CD1 3.76Å; Y966-L974 HydrophobicContact CE2-CD1 3.79Å; Y966-L974 HydrophobicContact CG-CD1 3.82Å; Q970-L974 WeakPolarHBondContact O-CG 3.48Å; Q970-L974 PolarHBondContact O-N 3.13Å; A971-L974 PolarHBondContact O-N 3.3Å; L974-M977 PolarHBondContact O-N 3.22Å; L974-A978 VanDerWaalsContact O-CB 3.27Å; L974-A978 WeakPolarHBondContact O-CB 3.39Å; L974-A978 PolarHBondContact O-N 3.05Å; L974-F1015 HydrophobicContact CD1-CZ 4.44Å; L974-F1015 HydrophobicContact CD2-CE1 4.14Å; L974-F1015 HydrophobicContact CD2-CZ 4.2Å; L974-F1015 HydrophobicContact CG-CE1 4.08Å; L974-F1015 HydrophobicContact CG-CZ 4.26Å; L974-V1019 HydrophobicContact CD2-CB 4.5Å; L974-V1019 HydrophobicContact CD2-CG1 3.87Å; L974-V1019 HydrophobicContact CD2-CG2 3.78Å; L974-L1031 HydrophobicContact CD2-CD2 4.43Å; L974-L1033 HydrophobicContact CB-CD2 4Å; L974-L1033 HydrophobicContact CD1-CD2 4.01Å |
| 975 | E | 92.6 | Very high | 88.3 | Confident | 104 Ų | 104 | 47.6 Ų | 47.6 | 49% | 0.486 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 174.7 | -74 | 172.7 | 174.2 | 0 | 0 | 112.2 | A971 I973 M977 A978 A979 L1033 | A971-E975 WeakPolarHBondContact O-CB 3.45Å; A971-E975 WeakPolarHBondContact O-CG 3.42Å; A971-E975 PolarHBondContact O-N 3.38Å; I973-E975 VanDerWaalsContact C-N 3.34Å; I973-E975 PolarHBondContact O-N 2.98Å; E975-M977 VanDerWaalsContact C-N 3.34Å; E975-M977 PolarHBondContact O-N 3.45Å; E975-A978 PolarHBondContact O-N 3.15Å; E975-A979 VanDerWaalsContact O-CB 3.25Å; E975-A979 WeakPolarHBondContact O-CB 3.24Å; E975-A979 PolarHBondContact O-N 2.95Å; E975-L1033 HydrophobicContact CG-CD1 4.13Å |
| 976 | I | 92.9 | Very high | 88.3 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 11% | 0.113 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 177 | -71.3 | 165.4 | 0 | 0 | 0 | 110.7 | Q972 I973 N980 L997 L998 | Q972-I976 HydrophobicContact CG-CD1 4.07Å; Q972-I976 WeakPolarHBondContact O-CB 3.33Å; Q972-I976 WeakPolarHBondContact O-CD1 3.3Å; Q972-I976 WeakPolarHBondContact O-CG1 3.26Å; Q972-I976 PolarHBondContact O-N 3.29Å; Q972-I976 VanDerWaalsContact O-N 3.08Å; I973-I976 PolarHBondContact O-N 2.93Å; I976-N980 PolarHBondContact O-N 2.9Å; I976-N980 PolarHBondContact O-ND2 3.39Å; I976-L997 HydrophobicContact CG2-CB 3.9Å; I976-L997 HydrophobicContact CG2-CD1 4.42Å; I976-L998 HydrophobicContact CB-CD2 4.49Å; I976-L998 HydrophobicContact CD1-CD2 3.66Å; I976-L998 HydrophobicContact CG2-CD2 4.39Å |
| 977 | M | 93.5 | Very high | 88.5 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 176.3 | -71.5 | -179 | 71 | 0 | 0 | 111.8 | I973 L974 E975 N980 L981 L988 L994 V1016 V1019 L1031 | I973-M977 HydrophobicContact CG2-CG 4.32Å; I973-M977 HydrophobicContact CG2-SD 3.89Å; I973-M977 WeakPolarHBondContact O-CB 3.49Å; I973-M977 VanDerWaalsContact O-CG 3.31Å; I973-M977 WeakPolarHBondContact O-CG 3.38Å; I973-M977 PolarHBondContact O-N 3.43Å; L974-M977 PolarHBondContact O-N 3.22Å; E975-M977 VanDerWaalsContact C-N 3.34Å; E975-M977 PolarHBondContact O-N 3.45Å; M977-N980 CarbonylContact O-C 3.58Å; M977-N980 PolarHBondContact O-N 3.32Å; M977-L981 PolarHBondContact O-N 2.92Å; M977-L988 HydrophobicContact CB-CD2 4.25Å; M977-L988 HydrophobicContact CE-CD1 3.76Å; M977-L988 HydrophobicContact CE-CD2 3.81Å; M977-L988 HydrophobicContact CE-CG 4.39Å; M977-L994 HydrophobicContact CE-CD1 4.25Å; M977-L994 HydrophobicContact CG-CD1 4.06Å; M977-L994 HydrophobicContact CG-CD2 4.06Å; M977-V1016 HydrophobicContact CE-CG1 4.2Å; M977-V1016 HydrophobicContact SD-CB 4.34Å; M977-V1016 HydrophobicContact SD-CG1 4.15Å; M977-V1016 HydrophobicContact SD-CG2 4.04Å; M977-V1019 HydrophobicContact CE-CB 4.08Å; M977-V1019 HydrophobicContact CE-CG1 3.6Å; M977-V1019 HydrophobicContact SD-CB 4.22Å; M977-V1019 HydrophobicContact SD-CG1 3.91Å; M977-L1031 HydrophobicContact CB-CD2 4Å; M977-L1031 HydrophobicContact CE-CD2 4.37Å |
| 978 | A | 91 | Very high | 88.8 | Confident | 46 Ų | 46 | 55.1 Ų | 55.1 | 38% | 0.38 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L974 E975 N980 L981 L1031 | L974-A978 VanDerWaalsContact O-CB 3.27Å; L974-A978 WeakPolarHBondContact O-CB 3.39Å; L974-A978 PolarHBondContact O-N 3.05Å; E975-A978 PolarHBondContact O-N 3.15Å; A978-N980 PolarHBondContact O-N 2.85Å; A978-L981 PolarHBondContact O-N 3.26Å; A978-L1031 HydrophobicContact CB-CB 4.15Å; A978-L1031 HydrophobicContact CB-CD1 4.41Å |
| 979 | A | 91.8 | Very high | 89.2 | Confident | 81 Ų | 81 | 50.4 Ų | 50.4 | 67% | 0.669 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -70.1 | -15.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E975 | E975-A979 VanDerWaalsContact O-CB 3.25Å; E975-A979 WeakPolarHBondContact O-CB 3.24Å; E975-A979 PolarHBondContact O-N 2.95Å |
| 980 | N | 91.6 | Very high | 89.4 | Confident | 60 Ų | 60 | 54.3 Ų | 54.3 | 32% | 0.321 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | 27.8 | -179.8 | -67.8 | -91.3 | 0 | 0 | 0 | 112.1 | I976 M977 A978 A989 L997 | I976-N980 PolarHBondContact O-N 2.9Å; I976-N980 PolarHBondContact O-ND2 3.39Å; M977-N980 CarbonylContact O-C 3.58Å; M977-N980 PolarHBondContact O-N 3.32Å; A978-N980 PolarHBondContact O-N 2.85Å; N980-A989 HydrophobicContact CB-CB 4.24Å; N980-L997 HydrophobicContact CB-CD1 4.15Å; N980-L997 VanDerWaalsContact CG-CD1 3.4Å; N980-L997 WeakPolarHBondContact ND2-CD1 3.47Å; N980-L997 WeakPolarHBondContact OD1-CD1 3.28Å |
| 981 | L | 90.6 | Very high | 89.5 | Confident | 38 Ų | 38 | 57.2 Ų | 57.2 | 20% | 0.199 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -74.9 | 148.7 | 169.7 | -150.2 | 70.4 | 0 | 0 | 0 | 109.8 | M977 A978 L988 F1023 K1028 L1031 | M977-L981 PolarHBondContact O-N 2.92Å; A978-L981 PolarHBondContact O-N 3.26Å; L981-L988 HydrophobicContact CD1-CD2 3.47Å; L981-L988 VanDerWaalsContact CD1-CD2 3.47Å; L981-L988 HydrophobicContact CD1-CG 3.98Å; L981-F1023 HydrophobicContact CD1-CE2 3.7Å; L981-F1023 HydrophobicContact CD1-CZ 3.76Å; L981-F1023 HydrophobicContact CD2-CE2 4.42Å; L981-K1028 HydrophobicContact CD2-CB 4.11Å; L981-L1031 HydrophobicContact CD1-CD1 3.62Å; L981-L1031 HydrophobicContact CD2-CD1 4.27Å |
| 982 | S | 87.8 | Confident | 89.7 | Confident | 34 Ų | 34 | 59.6 Ų | 59.6 | 24% | 0.238 | 35% | 0.345 | C | S | . | . | trans | -60 | 154.1 | 169.8 | 54.3 | 0 | 0 | 0 | 0 | 111.7 | D984 G985 K986 T987 | S982-D984 WeakPolarHBondContact CB-OD1 3.3Å; S982-D984 PolarHBondContact O-N 3.37Å; S982-D984 VanDerWaalsContact O-N 3.14Å; S982-D984 PolarHBondContact OG-OD1 3.23Å; S982-G985 WeakPolarHBondContact O-CA 3.46Å; S982-G985 PolarHBondContact O-N 2.91Å; S982-K986 PolarHBondContact OG-N 3.41Å; S982-T987 WeakPolarHBondContact CB-OG1 3.49Å; S982-T987 PolarHBondContact N-O 3.09Å; S982-T987 PolarHBondContact OG-N 3.09Å; S982-T987 PolarHBondContact OG-O 2.85Å; S982-T987 PolarHBondContact OG-OG1 2.82Å | ||
| 983 | D | 84.5 | Confident | 89.8 | Confident | 182 Ų | 182 | 59.9 Ų | 59.9 | 97% | 0.973 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -30.5 | -178.3 | -66.7 | -30.7 | 0 | 0 | 0 | 113.2 | G985 | D983-G985 PolarHBondContact O-N 3.32Š|
| 984 | D | 83.6 | Confident | 89.8 | Confident | 99 Ų | 99 | 60 Ų | 60 | 53% | 0.529 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -6.9 | 175.5 | 73.2 | -12.9 | 0 | 0 | 0 | 113.7 | S982 K986 | S982-D984 WeakPolarHBondContact CB-OD1 3.3Å; S982-D984 PolarHBondContact O-N 3.37Å; S982-D984 VanDerWaalsContact O-N 3.14Å; S982-D984 PolarHBondContact OG-OD1 3.23Å; D984-K986 VanDerWaalsContact C-N 3.27Å; D984-K986 PolarHBondContact O-N 2.86Å; D984-K986 PolarHBondContact OD1-N 2.93Å |
| 985 | G | 82.8 | Confident | 89.8 | Confident | 17 Ų | 17 | 62 Ų | 62 | 18% | 0.175 | 37% | 0.368 | C | S | . | . | S | Bend | trans | 70.2 | 15.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S982 D983 | S982-G985 WeakPolarHBondContact O-CA 3.46Å; S982-G985 PolarHBondContact O-N 2.91Å; D983-G985 PolarHBondContact O-N 3.32Å |
| 986 | K | 84.9 | Confident | 89.8 | Confident | 156 Ų | 156 | 64.1 Ų | 64.1 | 68% | 0.678 | 38% | 0.378 | S | S | * | . | trans | -106.8 | -15.4 | -171.9 | -65.4 | -178.8 | -174.8 | 172.7 | 0 | 114.8 | S982 D984 F1023 | S982-K986 PolarHBondContact OG-N 3.41Å; D984-K986 VanDerWaalsContact C-N 3.27Å; D984-K986 PolarHBondContact O-N 2.86Å; D984-K986 PolarHBondContact OD1-N 2.93Å; K986-F1023 WeakPolarHBondContact O-CE1 3.32Å | ||
| 987 | T | 88.2 | Confident | 89.7 | Confident | 83 Ų | 83 | 66 Ų | 66 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | trans | -130.1 | 135.8 | -178 | 56.7 | 0 | 0 | 0 | 0 | 111.6 | S982 | S982-T987 WeakPolarHBondContact CB-OG1 3.49Å; S982-T987 PolarHBondContact N-O 3.09Å; S982-T987 PolarHBondContact OG-N 3.09Å; S982-T987 PolarHBondContact OG-O 2.85Å; S982-T987 PolarHBondContact OG-OG1 2.82Å | ||
| 988 | L | 90.4 | Very high | 89.7 | Confident | 25 Ų | 25 | 66 Ų | 66 | 13% | 0.131 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -86.5 | 147.2 | 171.8 | -74.7 | 165.1 | 0 | 0 | 0 | 109.5 | M977 L981 R1020 F1023 L1031 | M977-L988 HydrophobicContact CB-CD2 4.25Å; M977-L988 HydrophobicContact CE-CD1 3.76Å; M977-L988 HydrophobicContact CE-CD2 3.81Å; M977-L988 HydrophobicContact CE-CG 4.39Å; L981-L988 HydrophobicContact CD1-CD2 3.47Å; L981-L988 VanDerWaalsContact CD1-CD2 3.47Å; L981-L988 HydrophobicContact CD1-CG 3.98Å; L988-R1020 HydrophobicContact CD1-CB 4.04Å; L988-R1020 HydrophobicContact CD1-CG 3.89Å; L988-F1023 HydrophobicContact CD1-CB 3.72Å; L988-F1023 HydrophobicContact CD1-CD1 3.65Å; L988-F1023 HydrophobicContact CD1-CD2 4.09Å; L988-F1023 HydrophobicContact CD1-CE1 4.29Å; L988-F1023 HydrophobicContact CD1-CG 3.54Å; L988-F1023 HydrophobicContact CG-CD1 3.92Å; L988-F1023 HydrophobicContact CG-CD2 4.24Å; L988-F1023 HydrophobicContact CG-CE1 4.05Å; L988-F1023 HydrophobicContact CG-CE2 4.34Å; L988-F1023 HydrophobicContact CG-CG 4.03Å; L988-F1023 HydrophobicContact CG-CZ 4.26Å; L988-L1031 HydrophobicContact CD2-CD1 3.97Å; L988-L1031 HydrophobicContact CD2-CD2 4.28Å |
| 989 | A | 90.6 | Very high | 89.7 | Confident | 21 Ų | 21 | 73.1 Ų | 73.1 | 17% | 0.174 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 150.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N980 T993 L994 R1020 | N980-A989 HydrophobicContact CB-CB 4.24Å; A989-T993 HydrophobicContact CB-CG2 4.19Å; A989-L994 HydrophobicContact CB-CD2 4.08Å; A989-L994 HydrophobicContact CB-CG 4.08Å; A989-R1020 PolarHBondContact O-NH2 3.17Å |
| 990 | D | 91.4 | Very high | 89.6 | Confident | 92 Ų | 92 | 74 Ų | 74 | 49% | 0.492 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -69 | 168.4 | -179.3 | 79.6 | -18 | 0 | 0 | 0 | 112.3 | A992 T993 L994 | D990-A992 VanDerWaalsContact C-N 3.3Å; D990-A992 PolarHBondContact O-N 3.27Å; D990-T993 PolarHBondContact O-N 2.78Å; D990-T993 WeakPolarHBondContact OD1-CB 3.24Å; D990-T993 PolarHBondContact OD1-N 2.85Å; D990-T993 PolarHBondContact OD1-OG1 2.77Å; D990-L994 PolarHBondContact O-N 3.38Å |
| 991 | N | 90.6 | Very high | 89.5 | Confident | 69 Ų | 69 | 74 Ų | 74 | 37% | 0.369 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.6 | -35.2 | -176.4 | -83 | -25.3 | 0 | 0 | 0 | 113.5 | A995 M1013 Q1017 R1020 | N991-A995 WeakPolarHBondContact O-CB 3.31Å; N991-A995 PolarHBondContact O-N 2.97Å; N991-M1013 HydrophobicContact CB-CE 4.34Å; N991-Q1017 VanDerWaalsContact CG-NE2 3.29Å; N991-Q1017 PolarHBondContact ND2-NE2 2.94Å; N991-Q1017 VanDerWaalsContact ND2-NE2 3.19Å; N991-Q1017 PolarHBondContact ND2-OE1 2.99Å; N991-Q1017 PolarHBondContact OD1-NE2 3.49Å; N991-R1020 PolarHBondContact OD1-NH1 2.97Å; N991-R1020 PolarHBondContact OD1-NH2 3.37Å |
| 992 | A | 91.5 | Very high | 89.4 | Confident | 67 Ų | 67 | 75.2 Ų | 75.2 | 55% | 0.554 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.7 | -46.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | D990 A995 Q996 | D990-A992 VanDerWaalsContact C-N 3.3Å; D990-A992 PolarHBondContact O-N 3.27Å; A992-A995 PolarHBondContact O-N 3.18Å; A992-Q996 PolarHBondContact O-N 3.1Å |
| 993 | T | 91.9 | Very high | 89.2 | Confident | 60 Ų | 60 | 83 Ų | 83 | 37% | 0.368 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.1 | -49.2 | 178.6 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | A989 D990 A995 Q996 L997 | A989-T993 HydrophobicContact CB-CG2 4.19Å; D990-T993 PolarHBondContact O-N 2.78Å; D990-T993 WeakPolarHBondContact OD1-CB 3.24Å; D990-T993 PolarHBondContact OD1-N 2.85Å; D990-T993 PolarHBondContact OD1-OG1 2.77Å; T993-A995 PolarHBondContact O-N 3.13Å; T993-Q996 PolarHBondContact O-N 3.24Å; T993-L997 HydrophobicContact CG2-CD1 3.87Å; T993-L997 HydrophobicContact CG2-CG 4.4Å; T993-L997 VanDerWaalsContact O-CG 3.29Å; T993-L997 WeakPolarHBondContact O-CG 3.46Å; T993-L997 PolarHBondContact O-N 2.93Å |
| 994 | L | 92 | Very high | 89.2 | Confident | 1 Ų | 1 | 78.6 Ų | 78.6 | 1% | 0.005 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 178.4 | -70.6 | -179.5 | 0 | 0 | 0 | 112.6 | M977 A989 D990 Q996 L997 L998 V1016 | M977-L994 HydrophobicContact CE-CD1 4.25Å; M977-L994 HydrophobicContact CG-CD1 4.06Å; M977-L994 HydrophobicContact CG-CD2 4.06Å; A989-L994 HydrophobicContact CB-CD2 4.08Å; A989-L994 HydrophobicContact CB-CG 4.08Å; D990-L994 PolarHBondContact O-N 3.38Å; L994-Q996 VanDerWaalsContact C-N 3.29Å; L994-Q996 PolarHBondContact O-N 3.5Å; L994-L997 HydrophobicContact CD2-CD1 4.35Å; L994-L997 PolarHBondContact O-N 2.81Å; L994-L998 WeakPolarHBondContact O-CB 3.33Å; L994-L998 WeakPolarHBondContact O-CG 3.36Å; L994-L998 PolarHBondContact O-N 2.97Å; L994-V1016 HydrophobicContact CD1-CG1 3.59Å |
| 995 | A | 90.9 | Very high | 89.2 | Confident | 42 Ų | 42 | 74.3 Ų | 74.3 | 35% | 0.347 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N991 A992 T993 R999 M1013 | N991-A995 WeakPolarHBondContact O-CB 3.31Å; N991-A995 PolarHBondContact O-N 2.97Å; A992-A995 PolarHBondContact O-N 3.18Å; T993-A995 PolarHBondContact O-N 3.13Å; A995-R999 PolarHBondContact O-N 3.41Å; A995-M1013 HydrophobicContact CB-CE 4.46Å; A995-M1013 HydrophobicContact CB-SD 4.09Å |
| 996 | Q | 92.3 | Very high | 89.2 | Confident | 150 Ų | 150 | 75.9 Ų | 75.9 | 70% | 0.701 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -67.5 | -43.3 | 175.3 | -174.4 | 172.8 | -2.8 | 0 | 0 | 111.8 | A992 T993 L994 L998 R999 | A992-Q996 PolarHBondContact O-N 3.1Å; T993-Q996 PolarHBondContact O-N 3.24Å; L994-Q996 VanDerWaalsContact C-N 3.29Å; L994-Q996 PolarHBondContact O-N 3.5Å; Q996-L998 VanDerWaalsContact C-N 3.34Å; Q996-L998 PolarHBondContact O-N 3.38Å; Q996-R999 WeakPolarHBondContact O-CB 3.45Å; Q996-R999 PolarHBondContact O-N 3.09Å |
| 997 | L | 92 | Very high | 89 | Confident | 60 Ų | 60 | 78.9 Ų | 78.9 | 31% | 0.314 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66 | -34.3 | 178 | -70.1 | 167.9 | 0 | 0 | 0 | 112.8 | I976 N980 T993 L994 P1000 H1001 | I976-L997 HydrophobicContact CG2-CB 3.9Å; I976-L997 HydrophobicContact CG2-CD1 4.42Å; N980-L997 HydrophobicContact CB-CD1 4.15Å; N980-L997 VanDerWaalsContact CG-CD1 3.4Å; N980-L997 WeakPolarHBondContact ND2-CD1 3.47Å; N980-L997 WeakPolarHBondContact OD1-CD1 3.28Å; T993-L997 HydrophobicContact CG2-CD1 3.87Å; T993-L997 HydrophobicContact CG2-CG 4.4Å; T993-L997 VanDerWaalsContact O-CG 3.29Å; T993-L997 WeakPolarHBondContact O-CG 3.46Å; T993-L997 PolarHBondContact O-N 2.93Å; L994-L997 HydrophobicContact CD2-CD1 4.35Å; L994-L997 PolarHBondContact O-N 2.81Å; L997-P1000 VanDerWaalsContact O-CD 3.31Å; L997-P1000 WeakPolarHBondContact O-CD 3.28Å; L997-H1001 PolarHBondContact O-CD2 3.18Å |
| 998 | L | 92.8 | Very high | 88.7 | Confident | 4 Ų | 4 | 76.4 Ų | 76.4 | 2% | 0.021 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -76.8 | -24.9 | 178.2 | -72.1 | 170.9 | 0 | 0 | 0 | 113.2 | I973 I976 L994 Q996 P1000 H1001 L1002 M1005 M1013 V1016 | I973-L998 HydrophobicContact CB-CD2 4.4Å; I973-L998 HydrophobicContact CG1-CD2 3.71Å; I976-L998 HydrophobicContact CB-CD2 4.49Å; I976-L998 HydrophobicContact CD1-CD2 3.66Å; I976-L998 HydrophobicContact CG2-CD2 4.39Å; L994-L998 WeakPolarHBondContact O-CB 3.33Å; L994-L998 WeakPolarHBondContact O-CG 3.36Å; L994-L998 PolarHBondContact O-N 2.97Å; Q996-L998 VanDerWaalsContact C-N 3.34Å; Q996-L998 PolarHBondContact O-N 3.38Å; L998-P1000 VanDerWaalsContact C-CD 3.41Å; L998-H1001 WeakPolarHBondContact O-CA 3.39Å; L998-H1001 WeakPolarHBondContact O-CB 3.5Å; L998-H1001 PolarHBondContact O-N 2.75Å; L998-L1002 WeakPolarHBondContact O-CG 3.43Å; L998-L1002 PolarHBondContact O-N 3.42Å; L998-L1002 VanDerWaalsContact O-N 3.14Å; L998-M1005 HydrophobicContact CD2-CE 4.28Å; L998-M1013 HydrophobicContact CD1-SD 4.08Å; L998-V1016 HydrophobicContact CD1-CG2 3.79Å |
| 999 | R | 91.1 | Very high | 88.5 | Confident | 195 Ų | 195 | 76.6 Ų | 76.6 | 74% | 0.736 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -42.2 | -173.2 | -168.5 | 175.9 | -179.6 | 177.7 | -0.1 | 114.8 | A995 Q996 H1001 | A995-R999 PolarHBondContact O-N 3.41Å; Q996-R999 WeakPolarHBondContact O-CB 3.45Å; Q996-R999 PolarHBondContact O-N 3.09Å; R999-H1001 VanDerWaalsContact C-N 3.25Å; R999-H1001 PolarHBondContact O-N 2.75Å |
| 1000 | P | 90.6 | Very high | 88.2 | Confident | 99 Ų | 99 | 84.7 Ų | 84.7 | 64% | 0.643 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -27.4 | 176.3 | -20.1 | 33.9 | 0 | 0 | 0 | 113.5 | L997 L998 | L997-P1000 VanDerWaalsContact O-CD 3.31Å; L997-P1000 WeakPolarHBondContact O-CD 3.28Å; L998-P1000 VanDerWaalsContact C-CD 3.41Å |
| 1001 | H | 89.5 | Confident | 88 | Confident | 61 Ų | 61 | 85.1 Ų | 85.1 | 28% | 0.282 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -22 | -174.1 | -57.6 | -85.5 | 0 | 0 | 0 | 113.1 | Q972 L997 L998 R999 K1003 A1004 M1005 | Q972-H1001 VanDerWaalsContact CD-ND1 3.35Å; Q972-H1001 HydrophobicContact CG-CB 4.49Å; Q972-H1001 PolarHBondContact NE2-ND1 3.46Å; L997-H1001 PolarHBondContact O-CD2 3.18Å; L998-H1001 WeakPolarHBondContact O-CA 3.39Å; L998-H1001 WeakPolarHBondContact O-CB 3.5Å; L998-H1001 PolarHBondContact O-N 2.75Å; R999-H1001 VanDerWaalsContact C-N 3.25Å; R999-H1001 PolarHBondContact O-N 2.75Å; H1001-K1003 PolarHBondContact O-N 3.21Å; H1001-K1003 VanDerWaalsContact O-N 3.08Å; H1001-A1004 WeakPolarHBondContact O-CB 3.39Å; H1001-A1004 PolarHBondContact O-N 3.34Å; H1001-M1005 HydrophobicContact CB-CE 3.84Å; H1001-M1005 WeakPolarHBondContact O-CG 3.48Å; H1001-M1005 PolarHBondContact O-N 3.04Å |
| 1002 | L | 87.4 | Confident | 87.9 | Confident | 62 Ų | 62 | 81.9 Ų | 81.9 | 33% | 0.325 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -33.9 | -176.9 | -67.1 | 179.9 | 0 | 0 | 0 | 114 | L998 A1004 M1005 A1009 A1012 | L998-L1002 WeakPolarHBondContact O-CG 3.43Å; L998-L1002 PolarHBondContact O-N 3.42Å; L998-L1002 VanDerWaalsContact O-N 3.14Å; L1002-A1004 VanDerWaalsContact C-N 3.34Å; L1002-M1005 HydrophobicContact CD2-SD 4.11Å; L1002-M1005 PolarHBondContact O-N 2.97Å; L1002-A1009 HydrophobicContact CB-CB 4.35Å; L1002-A1009 HydrophobicContact CD2-CB 4.36Å; L1002-A1009 WeakPolarHBondContact O-CB 3.27Å; L1002-A1012 HydrophobicContact CD2-CB 3.97Å |
| 1003 | K | 84.4 | Confident | 87.9 | Confident | 199 Ų | 199 | 81.5 Ų | 81.5 | 87% | 0.865 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -36 | 178.7 | -170.2 | 178.6 | 178.3 | -176 | 0 | 112.2 | H1001 M1005 | H1001-K1003 PolarHBondContact O-N 3.21Å; H1001-K1003 VanDerWaalsContact O-N 3.08Å; K1003-M1005 VanDerWaalsContact C-N 3.3Å |
| 1004 | A | 83.9 | Confident | 87.8 | Confident | 88 Ų | 88 | 82.6 Ų | 82.6 | 73% | 0.727 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -25.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | H1001 L1002 G1006 | H1001-A1004 WeakPolarHBondContact O-CB 3.39Å; H1001-A1004 PolarHBondContact O-N 3.34Å; L1002-A1004 VanDerWaalsContact C-N 3.34Å; A1004-G1006 PolarHBondContact O-N 2.91Å |
| 1005 | M | 83.3 | Confident | 87.6 | Confident | 10 Ų | 10 | 83.5 Ų | 83.5 | 5% | 0.049 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -2.6 | 178.9 | -58.8 | 175.6 | 178.3 | 0 | 0 | 114 | W969 Q972 I973 L998 H1001 L1002 K1003 R1007 M1008 A1009 A1012 | W969-M1005 HydrophobicContact CB-CB 4.09Å; W969-M1005 HydrophobicContact CB-CG 3.8Å; W969-M1005 HydrophobicContact CB-SD 4.44Å; Q972-M1005 HydrophobicContact CB-CE 4.37Å; Q972-M1005 HydrophobicContact CG-CE 4.24Å; I973-M1005 HydrophobicContact CD1-CE 4.37Å; I973-M1005 HydrophobicContact CD1-SD 4.48Å; I973-M1005 HydrophobicContact CG1-CE 3.86Å; L998-M1005 HydrophobicContact CD2-CE 4.28Å; H1001-M1005 HydrophobicContact CB-CE 3.84Å; H1001-M1005 WeakPolarHBondContact O-CG 3.48Å; H1001-M1005 PolarHBondContact O-N 3.04Å; L1002-M1005 HydrophobicContact CD2-SD 4.11Å; L1002-M1005 PolarHBondContact O-N 2.97Å; K1003-M1005 VanDerWaalsContact C-N 3.3Å; M1005-R1007 PolarHBondContact O-N 3Å; M1005-M1008 WeakPolarHBondContact O-CA 3.38Å; M1005-M1008 WeakPolarHBondContact O-CB 3.4Å; M1005-M1008 PolarHBondContact O-N 3.23Å; M1005-A1009 HydrophobicContact CB-CB 4.29Å; M1005-A1009 PolarHBondContact O-N 3.03Å; M1005-A1012 HydrophobicContact SD-CB 4.25Å |
| 1006 | G | 83.1 | Confident | 87.7 | Confident | 50 Ų | 50 | 81.5 Ų | 81.5 | 52% | 0.515 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | 52.8 | -127.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1004 M1008 A1009 | A1004-G1006 PolarHBondContact O-N 2.91Å; G1006-M1008 PolarHBondContact O-N 3.3Å; G1006-A1009 WeakPolarHBondContact O-CB 3.17Å; G1006-A1009 PolarHBondContact O-N 3.26Å |
| 1007 | R | 80.5 | Confident | 87.6 | Confident | 219 Ų | 219 | 77.3 Ų | 77.3 | 83% | 0.826 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -65.2 | -25.2 | 179.2 | -66.9 | -179.4 | -177 | 177.2 | 3.3 | 112.6 | M1005 A1009 | M1005-R1007 PolarHBondContact O-N 3Å; R1007-A1009 VanDerWaalsContact C-N 3.3Å; R1007-A1009 PolarHBondContact O-N 2.98Å |
| 1008 | M | 82.5 | Confident | 87.3 | Confident | 31 Ų | 31 | 77.2 Ų | 77.2 | 15% | 0.153 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -79.7 | -9.6 | -178 | -61.3 | -57 | 111.7 | 0 | 0 | 113.3 | W969 M1005 G1006 K1010 R1011 A1012 | W969-M1008 HydrophobicContact CD2-CB 3.88Å; W969-M1008 HydrophobicContact CD2-CG 4.49Å; W969-M1008 HydrophobicContact CE3-CB 4.5Å; W969-M1008 HydrophobicContact CG-CB 3.92Å; W969-M1008 HydrophobicContact CG-CG 4.4Å; M1005-M1008 WeakPolarHBondContact O-CA 3.38Å; M1005-M1008 WeakPolarHBondContact O-CB 3.4Å; M1005-M1008 PolarHBondContact O-N 3.23Å; G1006-M1008 PolarHBondContact O-N 3.3Å; M1008-K1010 PolarHBondContact O-N 3.29Å; M1008-R1011 WeakPolarHBondContact O-CA 3.42Å; M1008-R1011 WeakPolarHBondContact O-CB 3.42Å; M1008-R1011 PolarHBondContact O-N 2.91Å; M1008-A1012 PolarHBondContact O-N 3.04Å |
| 1009 | A | 85.8 | Confident | 87 | Confident | 29 Ų | 29 | 77.2 Ų | 77.2 | 24% | 0.24 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -52.7 | -31.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1002 M1005 G1006 R1007 R1011 A1012 | L1002-A1009 HydrophobicContact CB-CB 4.35Å; L1002-A1009 HydrophobicContact CD2-CB 4.36Å; L1002-A1009 WeakPolarHBondContact O-CB 3.27Å; M1005-A1009 HydrophobicContact CB-CB 4.29Å; M1005-A1009 PolarHBondContact O-N 3.03Å; G1006-A1009 WeakPolarHBondContact O-CB 3.17Å; G1006-A1009 PolarHBondContact O-N 3.26Å; R1007-A1009 VanDerWaalsContact C-N 3.3Å; R1007-A1009 PolarHBondContact O-N 2.98Å; A1009-R1011 VanDerWaalsContact C-N 3.29Å; A1009-R1011 PolarHBondContact O-N 3.45Å; A1009-A1012 WeakPolarHBondContact O-CB 3.32Å; A1009-A1012 PolarHBondContact O-N 3.37Å |
| 1010 | K | 85.4 | Confident | 86.9 | Confident | 191 Ų | 191 | 69.9 Ų | 69.9 | 83% | 0.83 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -69.5 | -22.1 | 175.9 | -65.2 | -176.1 | -179.3 | -179.4 | 0 | 113.7 | M1008 | M1008-K1010 PolarHBondContact O-N 3.29Š|
| 1011 | R | 85.8 | Confident | 86.6 | Confident | 101 Ų | 101 | 71.3 Ų | 71.3 | 38% | 0.381 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -91.6 | -8.4 | 178.5 | -61.7 | -176.3 | 80.3 | -174.7 | 1.1 | 113.1 | W969 M1008 A1009 P1014 F1015 E1083 | W969-R1011 HydrophobicContact CH2-CB 3.91Å; W969-R1011 HydrophobicContact CZ3-CB 4.3Å; M1008-R1011 WeakPolarHBondContact O-CA 3.42Å; M1008-R1011 WeakPolarHBondContact O-CB 3.42Å; M1008-R1011 PolarHBondContact O-N 2.91Å; A1009-R1011 VanDerWaalsContact C-N 3.29Å; A1009-R1011 PolarHBondContact O-N 3.45Å; R1011-P1014 WeakPolarHBondContact O-CD 3.48Å; R1011-F1015 WeakPolarHBondContact O-CB 3.45Å; R1011-F1015 PolarHBondContact O-N 3.25Å; R1011-E1083 IonicContact NH2-OE2 2.94Å |
| 1012 | A | 89 | Confident | 86.3 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.9 | -56.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I973 L1002 M1005 M1008 A1009 F1015 V1016 | I973-A1012 HydrophobicContact CD1-CB 3.77Å; L1002-A1012 HydrophobicContact CD2-CB 3.97Å; M1005-A1012 HydrophobicContact SD-CB 4.25Å; M1008-A1012 PolarHBondContact O-N 3.04Å; A1009-A1012 WeakPolarHBondContact O-CB 3.32Å; A1009-A1012 PolarHBondContact O-N 3.37Å; A1012-F1015 WeakPolarHBondContact O-CB 3.17Å; A1012-F1015 PolarHBondContact O-N 3.38Å; A1012-V1016 WeakPolarHBondContact O-CG2 3.24Å; A1012-V1016 PolarHBondContact O-N 3.33Å |
| 1013 | M | 91.6 | Very high | 86.2 | Confident | 60 Ų | 60 | 70.1 Ų | 70.1 | 30% | 0.296 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.7 | -38.3 | 179.7 | -73.8 | -56.3 | -60.1 | 0 | 0 | 114.3 | N991 A995 L998 F1015 V1016 Q1017 | N991-M1013 HydrophobicContact CB-CE 4.34Å; A995-M1013 HydrophobicContact CB-CE 4.46Å; A995-M1013 HydrophobicContact CB-SD 4.09Å; L998-M1013 HydrophobicContact CD1-SD 4.08Å; M1013-F1015 VanDerWaalsContact C-N 3.32Å; M1013-F1015 PolarHBondContact O-N 2.83Å; M1013-V1016 HydrophobicContact CE-CG1 4.38Å; M1013-V1016 WeakPolarHBondContact O-CB 3.41Å; M1013-V1016 PolarHBondContact O-N 2.84Å; M1013-V1016 HydrophobicContact SD-CB 4.5Å; M1013-V1016 HydrophobicContact SD-CG2 4.34Å; M1013-Q1017 PolarHBondContact O-N 3.36Å |
| 1014 | P | 89.7 | Confident | 86 | Confident | 82 Ų | 82 | 67.4 Ų | 67.4 | 53% | 0.532 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -55.7 | -43.4 | 168 | -29.9 | 35.5 | 0 | 0 | 0 | 113.4 | R1011 Q1017 L1018 | R1011-P1014 WeakPolarHBondContact O-CD 3.48Å; P1014-Q1017 PolarHBondContact O-N 3.18Å; P1014-L1018 PolarHBondContact O-N 3.34Å; P1014-L1018 VanDerWaalsContact O-N 3.07Å |
| 1015 | F | 88.6 | Confident | 85.4 | Confident | 20 Ų | 20 | 69.4 Ų | 69.4 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 176.1 | -178.3 | -113.6 | 0 | 0 | 0 | 111.9 | Y966 W969 Q970 I973 L974 R1011 A1012 M1013 Q1017 L1018 V1019 | Y966-F1015 HydrophobicContact CD1-CZ 4.38Å; Y966-F1015 HydrophobicContact CE1-CZ 4.18Å; W969-F1015 HydrophobicContact CH2-CB 4.03Å; W969-F1015 HydrophobicContact CH2-CG 4.19Å; W969-F1015 HydrophobicContact CZ3-CB 3.9Å; W969-F1015 HydrophobicContact CZ3-CD1 4.18Å; W969-F1015 HydrophobicContact CZ3-CG 4.12Å; Q970-F1015 HydrophobicContact CB-CD1 4.41Å; Q970-F1015 HydrophobicContact CB-CE1 3.73Å; Q970-F1015 HydrophobicContact CB-CZ 3.84Å; Q970-F1015 HydrophobicContact CG-CD1 4.08Å; Q970-F1015 HydrophobicContact CG-CD2 4.37Å; Q970-F1015 HydrophobicContact CG-CE1 3.79Å; Q970-F1015 HydrophobicContact CG-CE2 4.1Å; Q970-F1015 HydrophobicContact CG-CG 4.36Å; Q970-F1015 HydrophobicContact CG-CZ 3.8Å; Q970-F1015 VanDerWaalsContact NE2-CE2 3.28Å; I973-F1015 HydrophobicContact CB-CD1 4.14Å; I973-F1015 HydrophobicContact CB-CE1 4.29Å; I973-F1015 HydrophobicContact CD1-CD1 3.91Å; I973-F1015 HydrophobicContact CG2-CD1 3.89Å; I973-F1015 HydrophobicContact CG2-CE1 4.21Å; L974-F1015 HydrophobicContact CD1-CZ 4.44Å; L974-F1015 HydrophobicContact CD2-CE1 4.14Å; L974-F1015 HydrophobicContact CD2-CZ 4.2Å; L974-F1015 HydrophobicContact CG-CE1 4.08Å; L974-F1015 HydrophobicContact CG-CZ 4.26Å; R1011-F1015 WeakPolarHBondContact O-CB 3.45Å; R1011-F1015 PolarHBondContact O-N 3.25Å; A1012-F1015 WeakPolarHBondContact O-CB 3.17Å; A1012-F1015 PolarHBondContact O-N 3.38Å; M1013-F1015 VanDerWaalsContact C-N 3.32Å; M1013-F1015 PolarHBondContact O-N 2.83Å; F1015-Q1017 VanDerWaalsContact C-N 3.3Å; F1015-Q1017 PolarHBondContact O-N 2.98Å; F1015-L1018 HydrophobicContact CD2-CD2 4.46Å; F1015-L1018 HydrophobicContact CE2-CD2 4.49Å; F1015-L1018 PolarHBondContact O-N 3.16Å; F1015-V1019 HydrophobicContact CD1-CG2 4.2Å; F1015-V1019 HydrophobicContact CD2-CG2 4.22Å; F1015-V1019 HydrophobicContact CE1-CG2 3.81Å; F1015-V1019 HydrophobicContact CE2-CG2 3.84Å; F1015-V1019 HydrophobicContact CG-CG2 4.39Å; F1015-V1019 HydrophobicContact CZ-CG2 3.62Å; F1015-V1019 WeakPolarHBondContact O-CG2 3.32Å; F1015-V1019 PolarHBondContact O-N 3.37Å |
| 1016 | V | 91.4 | Very high | 85 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56.3 | -42.7 | 172.2 | 170.1 | 0 | 0 | 0 | 0 | 111.9 | I973 M977 L994 L998 A1012 M1013 R1020 | I973-V1016 HydrophobicContact CG2-CG2 3.6Å; M977-V1016 HydrophobicContact CE-CG1 4.2Å; M977-V1016 HydrophobicContact SD-CB 4.34Å; M977-V1016 HydrophobicContact SD-CG1 4.15Å; M977-V1016 HydrophobicContact SD-CG2 4.04Å; L994-V1016 HydrophobicContact CD1-CG1 3.59Å; L998-V1016 HydrophobicContact CD1-CG2 3.79Å; A1012-V1016 WeakPolarHBondContact O-CG2 3.24Å; A1012-V1016 PolarHBondContact O-N 3.33Å; M1013-V1016 HydrophobicContact CE-CG1 4.38Å; M1013-V1016 WeakPolarHBondContact O-CB 3.41Å; M1013-V1016 PolarHBondContact O-N 2.84Å; M1013-V1016 HydrophobicContact SD-CB 4.5Å; M1013-V1016 HydrophobicContact SD-CG2 4.34Å; V1016-R1020 WeakPolarHBondContact O-CB 3.32Å; V1016-R1020 PolarHBondContact O-N 2.89Å |
| 1017 | Q | 91.1 | Very high | 85 | Confident | 63 Ų | 63 | 72.9 Ų | 72.9 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 177.2 | -63.2 | -40.5 | -55.2 | 0 | 0 | 111.7 | N991 M1013 P1014 F1015 V1019 R1020 E1021 | N991-Q1017 VanDerWaalsContact CG-NE2 3.29Å; N991-Q1017 PolarHBondContact ND2-NE2 2.94Å; N991-Q1017 VanDerWaalsContact ND2-NE2 3.19Å; N991-Q1017 PolarHBondContact ND2-OE1 2.99Å; N991-Q1017 PolarHBondContact OD1-NE2 3.49Å; M1013-Q1017 PolarHBondContact O-N 3.36Å; P1014-Q1017 PolarHBondContact O-N 3.18Å; F1015-Q1017 VanDerWaalsContact C-N 3.3Å; F1015-Q1017 PolarHBondContact O-N 2.98Å; Q1017-V1019 VanDerWaalsContact C-N 3.34Å; Q1017-V1019 PolarHBondContact O-N 2.86Å; Q1017-R1020 PolarHBondContact O-N 3.49Å; Q1017-R1020 VanDerWaalsContact O-N 3.11Å; Q1017-R1020 VanDerWaalsContact OE1-NH1 3.17Å; Q1017-E1021 WeakPolarHBondContact O-CG 3.21Å; Q1017-E1021 PolarHBondContact O-N 2.95Å |
| 1018 | L | 85.3 | Confident | 85.2 | Confident | 57 Ų | 57 | 69.1 Ų | 69.1 | 30% | 0.298 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 178 | 178.7 | 149.9 | 0 | 0 | 0 | 111.8 | P1014 F1015 R1020 E1021 R1022 | P1014-L1018 PolarHBondContact O-N 3.34Å; P1014-L1018 VanDerWaalsContact O-N 3.07Å; F1015-L1018 HydrophobicContact CD2-CD2 4.46Å; F1015-L1018 HydrophobicContact CE2-CD2 4.49Å; F1015-L1018 PolarHBondContact O-N 3.16Å; L1018-R1020 VanDerWaalsContact C-N 3.34Å; L1018-E1021 PolarHBondContact O-N 3.46Å; L1018-R1022 WeakPolarHBondContact O-CG 3.39Å; L1018-R1022 PolarHBondContact O-N 3.1Å; L1018-R1022 VanDerWaalsContact O-N 3.1Å |
| 1019 | V | 87.4 | Confident | 85 | Confident | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.024 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | 175.2 | 172 | 0 | 0 | 0 | 0 | 110.8 | L974 M977 F1015 Q1017 R1022 F1023 V1030 L1031 | L974-V1019 HydrophobicContact CD2-CB 4.5Å; L974-V1019 HydrophobicContact CD2-CG1 3.87Å; L974-V1019 HydrophobicContact CD2-CG2 3.78Å; M977-V1019 HydrophobicContact CE-CB 4.08Å; M977-V1019 HydrophobicContact CE-CG1 3.6Å; M977-V1019 HydrophobicContact SD-CB 4.22Å; M977-V1019 HydrophobicContact SD-CG1 3.91Å; F1015-V1019 HydrophobicContact CD1-CG2 4.2Å; F1015-V1019 HydrophobicContact CD2-CG2 4.22Å; F1015-V1019 HydrophobicContact CE1-CG2 3.81Å; F1015-V1019 HydrophobicContact CE2-CG2 3.84Å; F1015-V1019 HydrophobicContact CG-CG2 4.39Å; F1015-V1019 HydrophobicContact CZ-CG2 3.62Å; F1015-V1019 WeakPolarHBondContact O-CG2 3.32Å; F1015-V1019 PolarHBondContact O-N 3.37Å; Q1017-V1019 VanDerWaalsContact C-N 3.34Å; Q1017-V1019 PolarHBondContact O-N 2.86Å; V1019-R1022 PolarHBondContact O-N 3.46Å; V1019-F1023 VanDerWaalsContact O-CB 3.29Å; V1019-F1023 WeakPolarHBondContact O-CB 3.27Å; V1019-F1023 PolarHBondContact O-N 3.44Å; V1019-V1030 HydrophobicContact CG1-CG1 4.05Å; V1019-L1031 HydrophobicContact CG1-CD2 3.63Å |
| 1020 | R | 89.4 | Confident | 84.8 | Confident | 41 Ų | 41 | 72.9 Ų | 72.9 | 16% | 0.155 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 177.2 | -174.4 | 174 | -67.5 | 115.8 | -13.1 | 112.1 | L988 A989 N991 V1016 Q1017 L1018 R1022 F1023 L1024 | L988-R1020 HydrophobicContact CD1-CB 4.04Å; L988-R1020 HydrophobicContact CD1-CG 3.89Å; A989-R1020 PolarHBondContact O-NH2 3.17Å; N991-R1020 PolarHBondContact OD1-NH1 2.97Å; N991-R1020 PolarHBondContact OD1-NH2 3.37Å; V1016-R1020 WeakPolarHBondContact O-CB 3.32Å; V1016-R1020 PolarHBondContact O-N 2.89Å; Q1017-R1020 PolarHBondContact O-N 3.49Å; Q1017-R1020 VanDerWaalsContact O-N 3.11Å; Q1017-R1020 VanDerWaalsContact OE1-NH1 3.17Å; L1018-R1020 VanDerWaalsContact C-N 3.34Å; R1020-R1022 VanDerWaalsContact C-N 3.33Å; R1020-R1022 PolarHBondContact O-N 3.18Å; R1020-F1023 WeakPolarHBondContact O-CB 3.47Å; R1020-F1023 PolarHBondContact O-N 2.85Å; R1020-L1024 WeakPolarHBondContact O-CG 3.49Å; R1020-L1024 PolarHBondContact O-N 3.29Å |
| 1021 | E | 84 | Confident | 84.8 | Confident | 130 Ų | 130 | 64.4 Ų | 64.4 | 61% | 0.607 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58.7 | -44.8 | 175 | -73.8 | 174.3 | -169.7 | 0 | 0 | 111.3 | Q1017 L1018 L1024 | Q1017-E1021 WeakPolarHBondContact O-CG 3.21Å; Q1017-E1021 PolarHBondContact O-N 2.95Å; L1018-E1021 PolarHBondContact O-N 3.46Å; E1021-L1024 PolarHBondContact O-N 2.96Å |
| 1022 | R | 82.6 | Confident | 84.6 | Confident | 85 Ų | 85 | 64.8 Ų | 64.8 | 32% | 0.321 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 175.5 | -70.3 | -179.1 | -176.2 | -175.2 | 2.4 | 112.4 | L1018 V1019 R1020 L1024 I1025 H1026 V1030 | L1018-R1022 WeakPolarHBondContact O-CG 3.39Å; L1018-R1022 PolarHBondContact O-N 3.1Å; L1018-R1022 VanDerWaalsContact O-N 3.1Å; V1019-R1022 PolarHBondContact O-N 3.46Å; R1020-R1022 VanDerWaalsContact C-N 3.33Å; R1020-R1022 PolarHBondContact O-N 3.18Å; R1022-L1024 VanDerWaalsContact C-N 3.27Å; R1022-L1024 PolarHBondContact O-N 3.08Å; R1022-I1025 PolarHBondContact O-N 3.32Å; R1022-H1026 PolarHBondContact O-N 2.89Å; R1022-V1030 HydrophobicContact CB-CG1 3.68Å; R1022-V1030 HydrophobicContact CB-CG2 4.07Å |
| 1023 | F | 85.3 | Confident | 84.1 | Confident | 13 Ų | 13 | 68.1 Ų | 68.1 | 6% | 0.057 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.9 | -34.8 | 177.5 | 178.6 | -86 | 0 | 0 | 0 | 112 | L981 K986 L988 V1019 R1020 I1025 G1027 K1028 L1031 | L981-F1023 HydrophobicContact CD1-CE2 3.7Å; L981-F1023 HydrophobicContact CD1-CZ 3.76Å; L981-F1023 HydrophobicContact CD2-CE2 4.42Å; K986-F1023 WeakPolarHBondContact O-CE1 3.32Å; L988-F1023 HydrophobicContact CD1-CB 3.72Å; L988-F1023 HydrophobicContact CD1-CD1 3.65Å; L988-F1023 HydrophobicContact CD1-CD2 4.09Å; L988-F1023 HydrophobicContact CD1-CE1 4.29Å; L988-F1023 HydrophobicContact CD1-CG 3.54Å; L988-F1023 HydrophobicContact CG-CD1 3.92Å; L988-F1023 HydrophobicContact CG-CD2 4.24Å; L988-F1023 HydrophobicContact CG-CE1 4.05Å; L988-F1023 HydrophobicContact CG-CE2 4.34Å; L988-F1023 HydrophobicContact CG-CG 4.03Å; L988-F1023 HydrophobicContact CG-CZ 4.26Å; V1019-F1023 VanDerWaalsContact O-CB 3.29Å; V1019-F1023 WeakPolarHBondContact O-CB 3.27Å; V1019-F1023 PolarHBondContact O-N 3.44Å; R1020-F1023 WeakPolarHBondContact O-CB 3.47Å; R1020-F1023 PolarHBondContact O-N 2.85Å; F1023-I1025 PolarHBondContact O-N 3.47Å; F1023-G1027 VanDerWaalsContact CD2-C 3.48Å; F1023-G1027 VanDerWaalsContact CD2-O 3.3Å; F1023-G1027 WeakPolarHBondContact CD2-O 3.23Å; F1023-G1027 WeakPolarHBondContact O-CA 3.44Å; F1023-G1027 PolarHBondContact O-N 2.83Å; F1023-K1028 HydrophobicContact CE2-CB 4.18Å; F1023-L1031 HydrophobicContact CD2-CD1 4.1Å; F1023-L1031 HydrophobicContact CD2-CG 4.19Å; F1023-L1031 HydrophobicContact CE2-CD1 4.02Å |
| 1024 | L | 79.4 | Confident | 83.5 | Confident | 141 Ų | 141 | 72.5 Ų | 72.5 | 74% | 0.738 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.9 | -27.4 | 174.2 | -69.2 | 169.4 | 0 | 0 | 0 | 112.7 | R1020 E1021 R1022 | R1020-L1024 WeakPolarHBondContact O-CG 3.49Å; R1020-L1024 PolarHBondContact O-N 3.29Å; E1021-L1024 PolarHBondContact O-N 2.96Å; R1022-L1024 VanDerWaalsContact C-N 3.27Å; R1022-L1024 PolarHBondContact O-N 3.08Å |
| 1025 | I | 71.6 | Confident | 82.9 | Confident | 131 Ų | 131 | 70.2 Ų | 70.2 | 67% | 0.672 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -94.7 | -44.8 | -177.7 | -57 | 172.5 | 0 | 0 | 0 | 111.5 | R1022 F1023 | R1022-I1025 PolarHBondContact O-N 3.32Å; F1023-I1025 PolarHBondContact O-N 3.47Å |
| 1026 | H | 75.6 | Confident | 82.4 | Confident | 106 Ų | 106 | 73.3 Ų | 73.3 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -112.2 | -4.4 | -169 | -56.3 | -70 | 0 | 0 | 0 | 114 | R1022 V1030 | R1022-H1026 PolarHBondContact O-N 2.89Å; H1026-V1030 HydrophobicContact CB-CG2 3.57Å |
| 1027 | G | 83.3 | Confident | 82 | Confident | 27 Ų | 27 | 73.6 Ų | 73.6 | 28% | 0.278 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | 66.7 | -155.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.9 | F1023 Q1029 V1030 | F1023-G1027 VanDerWaalsContact CD2-C 3.48Å; F1023-G1027 VanDerWaalsContact CD2-O 3.3Å; F1023-G1027 WeakPolarHBondContact CD2-O 3.23Å; F1023-G1027 WeakPolarHBondContact O-CA 3.44Å; F1023-G1027 PolarHBondContact O-N 2.83Å; G1027-Q1029 PolarHBondContact O-N 3.2Å; G1027-V1030 WeakPolarHBondContact O-CG2 3.28Å; G1027-V1030 PolarHBondContact O-N 3.03Å |
| 1028 | K | 83.3 | Confident | 81.9 | Confident | 140 Ų | 140 | 74.3 Ų | 74.3 | 61% | 0.609 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -60.9 | -14.6 | -172.1 | 70.8 | 179.2 | -178.6 | -179.7 | 0 | 116.2 | L981 F1023 V1030 L1031 | L981-K1028 HydrophobicContact CD2-CB 4.11Å; F1023-K1028 HydrophobicContact CE2-CB 4.18Å; K1028-V1030 PolarHBondContact O-N 3.3Å; K1028-L1031 PolarHBondContact O-N 3.21Å |
| 1029 | Q | 79.7 | Confident | 82.3 | Confident | 134 Ų | 134 | 71.8 Ų | 71.8 | 63% | 0.626 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -62.2 | -31.2 | 178 | -66.9 | 177.4 | 4 | 0 | 0 | 111.8 | G1027 L1031 Q1032 | G1027-Q1029 PolarHBondContact O-N 3.2Å; Q1029-L1031 PolarHBondContact O-N 2.85Å; Q1029-L1031 VanDerWaalsContact O-N 3.13Å; Q1029-Q1032 WeakPolarHBondContact O-CB 3.3Å; Q1029-Q1032 WeakPolarHBondContact O-CG 3.35Å; Q1029-Q1032 PolarHBondContact O-N 3.3Å; Q1029-Q1032 VanDerWaalsContact O-N 3.08Å |
| 1030 | V | 80.8 | Confident | 82.5 | Confident | 5 Ų | 5 | 71.8 Ų | 71.8 | 3% | 0.03 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -62 | -22.1 | 178.2 | -175.5 | 0 | 0 | 0 | 0 | 112.8 | V1019 R1022 H1026 G1027 K1028 Q1032 | V1019-V1030 HydrophobicContact CG1-CG1 4.05Å; R1022-V1030 HydrophobicContact CB-CG1 3.68Å; R1022-V1030 HydrophobicContact CB-CG2 4.07Å; H1026-V1030 HydrophobicContact CB-CG2 3.57Å; G1027-V1030 WeakPolarHBondContact O-CG2 3.28Å; G1027-V1030 PolarHBondContact O-N 3.03Å; K1028-V1030 PolarHBondContact O-N 3.3Å; V1030-Q1032 VanDerWaalsContact C-N 3.32Å |
| 1031 | L | 86 | Confident | 82.7 | Confident | 13 Ų | 13 | 73.3 Ų | 73.3 | 7% | 0.068 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -87.8 | -2.1 | -178.8 | -54.5 | 176.7 | 0 | 0 | 0 | 112.8 | L974 M977 A978 L981 L988 V1019 F1023 K1028 Q1029 | L974-L1031 HydrophobicContact CD2-CD2 4.43Å; M977-L1031 HydrophobicContact CB-CD2 4Å; M977-L1031 HydrophobicContact CE-CD2 4.37Å; A978-L1031 HydrophobicContact CB-CB 4.15Å; A978-L1031 HydrophobicContact CB-CD1 4.41Å; L981-L1031 HydrophobicContact CD1-CD1 3.62Å; L981-L1031 HydrophobicContact CD2-CD1 4.27Å; L988-L1031 HydrophobicContact CD2-CD1 3.97Å; L988-L1031 HydrophobicContact CD2-CD2 4.28Å; V1019-L1031 HydrophobicContact CG1-CD2 3.63Å; F1023-L1031 HydrophobicContact CD2-CD1 4.1Å; F1023-L1031 HydrophobicContact CD2-CG 4.19Å; F1023-L1031 HydrophobicContact CE2-CD1 4.02Å; K1028-L1031 PolarHBondContact O-N 3.21Å; Q1029-L1031 PolarHBondContact O-N 2.85Å; Q1029-L1031 VanDerWaalsContact O-N 3.13Å |
| 1032 | Q | 81 | Confident | 83.2 | Confident | 108 Ų | 108 | 67.2 Ų | 67.2 | 51% | 0.505 | 33% | 0.329 | S | S | . | . | trans | -74.5 | 141.3 | 176.7 | -63.4 | -179.4 | -1.8 | 0 | 0 | 110.4 | Q1029 V1030 Q1034 | Q1029-Q1032 WeakPolarHBondContact O-CB 3.3Å; Q1029-Q1032 WeakPolarHBondContact O-CG 3.35Å; Q1029-Q1032 PolarHBondContact O-N 3.3Å; Q1029-Q1032 VanDerWaalsContact O-N 3.08Å; V1030-Q1032 VanDerWaalsContact C-N 3.32Å; Q1032-Q1034 PolarHBondContact O-N 2.94Å | ||
| 1033 | L | 79.7 | Confident | 83.7 | Confident | 71 Ų | 71 | 63.1 Ų | 63.1 | 37% | 0.372 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -76.5 | -7.4 | 177.2 | -64.1 | 176.3 | 0 | 0 | 0 | 113.3 | Y966 A971 L974 E975 | Y966-L1033 WeakPolarHBondContact CD2-O 3.48Å; A971-L1033 HydrophobicContact CB-CD2 3.68Å; L974-L1033 HydrophobicContact CB-CD2 4Å; L974-L1033 HydrophobicContact CD1-CD2 4.01Å; E975-L1033 HydrophobicContact CG-CD1 4.13Å |
| 1034 | Q | 77.8 | Confident | 84.2 | Confident | 151 Ų | 151 | 67 Ų | 67 | 71% | 0.706 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -77.9 | 135.4 | 177.8 | -172.5 | 172.6 | -4.4 | 0 | 0 | 109.9 | Q1032 | Q1032-Q1034 PolarHBondContact O-N 2.94Š|
| 1035 | L | 78 | Confident | 84.9 | Confident | 35 Ų | 35 | 66 Ų | 66 | 18% | 0.183 | 32% | 0.32 | C | S | . | . | trans | -67.8 | 133.6 | 174.2 | -58 | -175.2 | 0 | 0 | 0 | 110.3 | A963 K964 Y966 V1037 P1081 | A963-L1035 WeakPolarHBondContact O-CD1 3.22Å; K964-L1035 VanDerWaalsContact C-CD1 3.5Å; K964-L1035 VanDerWaalsContact O-CD1 3.29Å; K964-L1035 WeakPolarHBondContact O-CD1 3.43Å; Y966-L1035 HydrophobicContact CD2-CD2 4.23Å; Y966-L1035 HydrophobicContact CE2-CD2 4.15Å; L1035-V1037 PolarHBondContact O-N 2.89Å; L1035-P1081 HydrophobicContact CD2-CB 3.68Å; L1035-P1081 HydrophobicContact CD2-CG 3.43Å; L1035-P1081 VanDerWaalsContact CD2-CG 3.43Å | ||
| 1036 | E | 77.3 | Confident | 86 | Confident | 84 Ų | 84 | 60 Ų | 60 | 39% | 0.393 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -69.1 | -26.9 | 175.2 | -64.2 | 178.1 | -159.8 | 0 | 0 | 112 | L913 | L913-E1036 HydrophobicContact CD2-CB 4.09Å; L913-E1036 VanDerWaalsContact CD2-OE2 3.28Å; L913-E1036 WeakPolarHBondContact CD2-OE2 3.38Å |
| 1037 | V | 84.2 | Confident | 86.8 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 4% | 0.036 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -133.9 | 133.1 | -176.1 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | I910 L913 Q914 L1035 E1039 V1042 L1082 | I910-V1037 HydrophobicContact CG2-CG2 4.48Å; L913-V1037 HydrophobicContact CB-CG2 4.39Å; L913-V1037 HydrophobicContact CD2-CG2 3.61Å; L913-V1037 HydrophobicContact CG-CG2 3.83Å; Q914-V1037 HydrophobicContact CG-CG1 3.84Å; Q914-V1037 HydrophobicContact CG-CG2 4.15Å; L1035-V1037 PolarHBondContact O-N 2.89Å; V1037-E1039 PolarHBondContact O-N 2.56Å; V1037-E1039 VanDerWaalsContact O-N 3.13Å; V1037-V1042 HydrophobicContact CG1-CB 4.48Å; V1037-V1042 HydrophobicContact CG1-CG2 3.69Å; V1037-L1082 HydrophobicContact CB-CD2 4.21Å; V1037-L1082 HydrophobicContact CG2-CD2 4.4Å |
| 1038 | D | 88.8 | Confident | 87.1 | Confident | 79 Ų | 79 | 58.2 Ų | 58.2 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | trans | -77.7 | 90.1 | 164.2 | -172.1 | -27.2 | 0 | 0 | 0 | 109.2 | C1040 E1041 V1042 | D1038-C1040 PolarHBondContact O-N 3.05Å; D1038-C1040 WeakPolarHBondContact OD1-CB 3.46Å; D1038-C1040 PolarHBondContact OD1-N 2.95Å; D1038-E1041 HydrophobicContact CB-CB 4.11Å; D1038-E1041 HydrophobicContact CB-CG 4.38Å; D1038-E1041 PolarHBondContact O-N 2.95Å; D1038-E1041 PolarHBondContact OD1-N 3.12Å; D1038-E1041 VanDerWaalsContact OD2-CG 3.3Å; D1038-E1041 WeakPolarHBondContact OD2-CG 3.45Å; D1038-V1042 WeakPolarHBondContact O-CG2 3.21Å; D1038-V1042 PolarHBondContact O-N 3.29Å | ||
| 1039 | E | 92.1 | Very high | 87.5 | Confident | 3 Ų | 3 | 52 Ų | 52 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56 | -38.9 | -178.5 | -69.1 | 177.2 | -111.3 | 0 | 0 | 112.3 | Y917 V962 V1037 V1042 I1043 P1081 L1082 | Y917-E1039 HydrophobicContact CE1-CB 4.15Å; Y917-E1039 HydrophobicContact CE1-CG 4.11Å; Y917-E1039 HydrophobicContact CE2-CG 4.07Å; Y917-E1039 WeakPolarHBondContact OH-CB 3.46Å; Y917-E1039 PolarHBondContact OH-OE2 3.33Å; V962-E1039 HydrophobicContact CB-CB 4.09Å; V962-E1039 HydrophobicContact CG1-CB 4.04Å; V1037-E1039 PolarHBondContact O-N 2.56Å; V1037-E1039 VanDerWaalsContact O-N 3.13Å; E1039-V1042 PolarHBondContact O-N 3.35Å; E1039-I1043 VanDerWaalsContact O-CG1 3.28Å; E1039-I1043 WeakPolarHBondContact O-CG1 3.33Å; E1039-I1043 PolarHBondContact O-N 3.44Å; E1039-P1081 VanDerWaalsContact OE1-CA 3.29Å; E1039-P1081 WeakPolarHBondContact OE1-CA 3.49Å; E1039-L1082 HydrophobicContact CG-CD2 4.41Å; E1039-L1082 PolarHBondContact OE1-N 3.3Å; E1039-L1082 WeakPolarHBondContact OE2-CA 3.32Å; E1039-L1082 PolarHBondContact OE2-N 2.92Å |
| 1040 | C | 92.5 | Very high | 88.2 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.4 | -49.9 | -179.3 | -171.2 | 0 | 0 | 0 | 0 | 110.4 | V962 D1038 V1042 I1043 K1044 Y1066 | V962-C1040 HydrophobicContact CG2-CB 4.02Å; D1038-C1040 PolarHBondContact O-N 3.05Å; D1038-C1040 WeakPolarHBondContact OD1-CB 3.46Å; D1038-C1040 PolarHBondContact OD1-N 2.95Å; C1040-V1042 PolarHBondContact O-N 3.01Å; C1040-I1043 PolarHBondContact O-N 3.36Å; C1040-K1044 WeakPolarHBondContact O-CB 3.38Å; C1040-K1044 VanDerWaalsContact O-CG 3.29Å; C1040-K1044 WeakPolarHBondContact O-CG 3.29Å; C1040-K1044 PolarHBondContact O-N 3.14Å; C1040-K1044 WeakPolarHBondContact SG-CE 3.44Å; C1040-Y1066 HydrophobicContact CB-CE1 3.81Å; C1040-Y1066 WeakPolarHBondContact CB-OH 3.45Å |
| 1041 | E | 92.9 | Very high | 88.7 | Confident | 73 Ų | 73 | 45.3 Ų | 45.3 | 34% | 0.341 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.1 | -37.8 | 178.2 | -73.8 | -60.3 | 119.7 | 0 | 0 | 112.7 | D1038 K1044 K1045 | D1038-E1041 HydrophobicContact CB-CB 4.11Å; D1038-E1041 HydrophobicContact CB-CG 4.38Å; D1038-E1041 PolarHBondContact O-N 2.95Å; D1038-E1041 PolarHBondContact OD1-N 3.12Å; D1038-E1041 VanDerWaalsContact OD2-CG 3.3Å; D1038-E1041 WeakPolarHBondContact OD2-CG 3.45Å; E1041-K1044 PolarHBondContact O-N 2.98Å; E1041-K1044 WeakPolarHBondContact OE1-CD 3.5Å; E1041-K1044 IonicContact OE1-NZ 3.8Å; E1041-K1044 PolarHBondContact OE1-NZ 3.3Å; E1041-K1045 WeakPolarHBondContact O-CB 3.28Å; E1041-K1045 VanDerWaalsContact O-CG 3.27Å; E1041-K1045 WeakPolarHBondContact O-CG 3.33Å; E1041-K1045 PolarHBondContact O-N 3.24Å |
| 1042 | V | 94.5 | Very high | 88.7 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67 | -43.9 | 178.2 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | Q914 Y917 I918 V1037 D1038 E1039 C1040 K1045 N1046 | Q914-V1042 HydrophobicContact CB-CG1 4.39Å; Q914-V1042 HydrophobicContact CB-CG2 4.23Å; Q914-V1042 HydrophobicContact CG-CG2 3.69Å; Y917-V1042 HydrophobicContact CD1-CB 4.39Å; Y917-V1042 HydrophobicContact CD1-CG1 3.8Å; Y917-V1042 HydrophobicContact CE1-CB 4.46Å; Y917-V1042 HydrophobicContact CE1-CG1 4.21Å; I918-V1042 HydrophobicContact CD1-CG1 3.54Å; I918-V1042 HydrophobicContact CG1-CG1 3.54Å; V1037-V1042 HydrophobicContact CG1-CB 4.48Å; V1037-V1042 HydrophobicContact CG1-CG2 3.69Å; D1038-V1042 WeakPolarHBondContact O-CG2 3.21Å; D1038-V1042 PolarHBondContact O-N 3.29Å; E1039-V1042 PolarHBondContact O-N 3.35Å; C1040-V1042 PolarHBondContact O-N 3.01Å; V1042-K1045 PolarHBondContact O-N 2.74Å; V1042-N1046 PolarHBondContact O-N 3.21Å; V1042-N1046 PolarHBondContact O-ND2 3.44Å |
| 1043 | I | 95 | Very high | 89 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.9 | -44.9 | 174.7 | -65.8 | 179.3 | 0 | 0 | 0 | 110.4 | Y917 V960 V962 E1039 C1040 K1045 N1046 L1047 L1050 I1064 | Y917-I1043 HydrophobicContact CE1-CG1 4.06Å; V960-I1043 HydrophobicContact CG1-CD1 3.83Å; V962-I1043 HydrophobicContact CG1-CD1 3.69Å; E1039-I1043 VanDerWaalsContact O-CG1 3.28Å; E1039-I1043 WeakPolarHBondContact O-CG1 3.33Å; E1039-I1043 PolarHBondContact O-N 3.44Å; C1040-I1043 PolarHBondContact O-N 3.36Å; I1043-K1045 VanDerWaalsContact C-N 3.32Å; I1043-K1045 PolarHBondContact O-N 3.38Å; I1043-N1046 CarbonylContact O-C 3.5Å; I1043-N1046 VanDerWaalsContact O-C 3.32Å; I1043-N1046 WeakPolarHBondContact O-CA 3.49Å; I1043-N1046 PolarHBondContact O-N 2.98Å; I1043-L1047 PolarHBondContact O-N 3.36Å; I1043-L1050 HydrophobicContact CB-CD1 4.45Å; I1043-L1050 HydrophobicContact CG2-CD1 3.69Å; I1043-I1064 HydrophobicContact CB-CD1 3.94Å; I1043-I1064 HydrophobicContact CG2-CD1 3.44Å; I1043-I1064 VanDerWaalsContact CG2-CD1 3.44Å; I1043-I1064 HydrophobicContact CG2-CG1 3.81Å |
| 1044 | K | 94.1 | Very high | 89.5 | Confident | 95 Ų | 95 | 41.6 Ų | 41.6 | 41% | 0.413 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -54.7 | -47.1 | 177.1 | -78.9 | 178.9 | -164.3 | 160.7 | 0 | 112.2 | C1040 E1041 N1046 L1047 I1064 | C1040-K1044 WeakPolarHBondContact O-CB 3.38Å; C1040-K1044 VanDerWaalsContact O-CG 3.29Å; C1040-K1044 WeakPolarHBondContact O-CG 3.29Å; C1040-K1044 PolarHBondContact O-N 3.14Å; C1040-K1044 WeakPolarHBondContact SG-CE 3.44Å; E1041-K1044 PolarHBondContact O-N 2.98Å; E1041-K1044 WeakPolarHBondContact OE1-CD 3.5Å; E1041-K1044 IonicContact OE1-NZ 3.8Å; E1041-K1044 PolarHBondContact OE1-NZ 3.3Å; K1044-N1046 PolarHBondContact O-N 3.44Å; K1044-N1046 VanDerWaalsContact O-N 3.14Å; K1044-L1047 WeakPolarHBondContact O-CG 3.44Å; K1044-L1047 PolarHBondContact O-N 3.46Å; K1044-I1064 HydrophobicContact CB-CD1 4.3Å; K1044-I1064 HydrophobicContact CG-CD1 3.48Å; K1044-I1064 VanDerWaalsContact CG-CD1 3.48Å |
| 1045 | K | 93.9 | Very high | 89.6 | Confident | 118 Ų | 118 | 37.3 Ų | 37.3 | 51% | 0.513 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64 | -15.9 | 178.7 | -73.3 | 171.9 | -177.2 | 175.2 | 0 | 113.7 | H806 E1041 V1042 I1043 | H806-K1045 HydrophobicContact CB-CB 3.79Å; H806-K1045 HydrophobicContact CB-CD 4.25Å; E1041-K1045 WeakPolarHBondContact O-CB 3.28Å; E1041-K1045 VanDerWaalsContact O-CG 3.27Å; E1041-K1045 WeakPolarHBondContact O-CG 3.33Å; E1041-K1045 PolarHBondContact O-N 3.24Å; V1042-K1045 PolarHBondContact O-N 2.74Å; I1043-K1045 VanDerWaalsContact C-N 3.32Å; I1043-K1045 PolarHBondContact O-N 3.38Å |
| 1046 | N | 95 | Very high | 89.9 | Confident | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.032 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 17.3 | -178.4 | -66.1 | -81.5 | 0 | 0 | 0 | 113.2 | H806 I918 V1042 I1043 K1044 S1048 Y1049 L1050 | H806-N1046 PolarHBondContact ND1-ND2 3.36Å; I918-N1046 HydrophobicContact CD1-CB 3.82Å; I918-N1046 HydrophobicContact CG1-CB 4.45Å; V1042-N1046 PolarHBondContact O-N 3.21Å; V1042-N1046 PolarHBondContact O-ND2 3.44Å; I1043-N1046 CarbonylContact O-C 3.5Å; I1043-N1046 VanDerWaalsContact O-C 3.32Å; I1043-N1046 WeakPolarHBondContact O-CA 3.49Å; I1043-N1046 PolarHBondContact O-N 2.98Å; K1044-N1046 PolarHBondContact O-N 3.44Å; K1044-N1046 VanDerWaalsContact O-N 3.14Å; N1046-S1048 PolarHBondContact O-N 2.94Å; N1046-Y1049 WeakPolarHBondContact O-CB 3.27Å; N1046-Y1049 PolarHBondContact O-N 2.84Å; N1046-L1050 PolarHBondContact O-N 3Å |
| 1047 | L | 93.2 | Very high | 90 | Very high | 46 Ų | 46 | 35.4 Ų | 35.4 | 24% | 0.241 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.9 | -46.5 | -177.4 | -86.9 | 168.1 | 0 | 0 | 0 | 112.9 | I1043 K1044 Y1049 L1050 I1051 L1062 I1064 | I1043-L1047 PolarHBondContact O-N 3.36Å; K1044-L1047 WeakPolarHBondContact O-CG 3.44Å; K1044-L1047 PolarHBondContact O-N 3.46Å; L1047-Y1049 VanDerWaalsContact C-N 3.28Å; L1047-Y1049 PolarHBondContact O-N 3.44Å; L1047-L1050 PolarHBondContact O-N 3.14Å; L1047-I1051 HydrophobicContact CB-CD1 4.38Å; L1047-I1051 HydrophobicContact CD2-CD1 4.41Å; L1047-I1051 WeakPolarHBondContact O-CB 3.46Å; L1047-I1051 WeakPolarHBondContact O-CG1 3.32Å; L1047-I1051 PolarHBondContact O-N 2.71Å; L1047-L1062 HydrophobicContact CD2-CB 3.96Å; L1047-L1062 HydrophobicContact CD2-CD2 4.03Å; L1047-L1062 HydrophobicContact CD2-CG 4.16Å; L1047-I1064 HydrophobicContact CD1-CD1 4.4Å; L1047-I1064 HydrophobicContact CD2-CD1 4.04Å; L1047-I1064 HydrophobicContact CD2-CG1 4.44Å; L1047-I1064 HydrophobicContact CG-CD1 4.33Å |
| 1048 | S | 88.6 | Confident | 89.7 | Confident | 50 Ų | 50 | 38.5 Ų | 38.5 | 35% | 0.35 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.4 | -42.6 | -179.4 | 55.9 | 0 | 0 | 0 | 0 | 112 | Q854 N1046 S1052 | Q854-S1048 VanDerWaalsContact NE2-C 3.3Å; Q854-S1048 PolarHBondContact NE2-O 3.47Å; N1046-S1048 PolarHBondContact O-N 2.94Å; S1048-S1052 WeakPolarHBondContact O-CB 3.45Å; S1048-S1052 PolarHBondContact O-N 2.83Å; S1048-S1052 VanDerWaalsContact O-N 3.08Å |
| 1049 | Y | 92.8 | Very high | 89 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.1 | -52.5 | 174.8 | 169.5 | -120.8 | 0 | 0 | 0 | 111.8 | E851 V852 I918 A922 R926 N1046 L1047 I1051 S1052 T1053 | E851-Y1049 HydrophobicContact CG-CE2 4.05Å; V852-Y1049 HydrophobicContact CB-CG 4.43Å; V852-Y1049 HydrophobicContact CG1-CD1 4.09Å; V852-Y1049 HydrophobicContact CG1-CG 4.12Å; V852-Y1049 HydrophobicContact CG2-CD1 4.21Å; V852-Y1049 HydrophobicContact CG2-CE1 3.94Å; V852-Y1049 HydrophobicContact CG2-CE2 4.41Å; I918-Y1049 HydrophobicContact CG2-CD1 4.19Å; I918-Y1049 HydrophobicContact CG2-CE1 4.01Å; A922-Y1049 HydrophobicContact CB-CE1 3.9Å; R926-Y1049 PolarHBondContact NH2-OH 3Å; N1046-Y1049 WeakPolarHBondContact O-CB 3.27Å; N1046-Y1049 PolarHBondContact O-N 2.84Å; L1047-Y1049 VanDerWaalsContact C-N 3.28Å; L1047-Y1049 PolarHBondContact O-N 3.44Å; Y1049-I1051 PolarHBondContact O-N 3.48Å; Y1049-S1052 PolarHBondContact O-N 3.48Å; Y1049-T1053 HydrophobicContact CE2-CG2 4.45Å; Y1049-T1053 WeakPolarHBondContact O-CB 3.39Å; Y1049-T1053 PolarHBondContact O-N 3.12Å |
| 1050 | L | 94.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.6 | -41.8 | -177.6 | -67.5 | 173.4 | 0 | 0 | 0 | 112.3 | A922 F925 I1043 N1046 L1047 T1053 L1054 L1062 | A922-L1050 HydrophobicContact CB-CD2 3.91Å; F925-L1050 HydrophobicContact CD2-CD2 4.43Å; I1043-L1050 HydrophobicContact CB-CD1 4.45Å; I1043-L1050 HydrophobicContact CG2-CD1 3.69Å; N1046-L1050 PolarHBondContact O-N 3Å; L1047-L1050 PolarHBondContact O-N 3.14Å; L1050-T1053 WeakPolarHBondContact O-CG2 3.48Å; L1050-L1054 VanDerWaalsContact O-CB 3.31Å; L1050-L1054 WeakPolarHBondContact O-CB 3.3Å; L1050-L1054 WeakPolarHBondContact O-CD1 3.09Å; L1050-L1054 WeakPolarHBondContact O-CG 3.39Å; L1050-L1054 PolarHBondContact O-N 3.05Å; L1050-L1054 VanDerWaalsContact O-N 3.1Å; L1050-L1062 HydrophobicContact CB-CD2 3.71Å; L1050-L1062 HydrophobicContact CD1-CD2 4.23Å |
| 1051 | I | 91.2 | Very high | 88 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -46.1 | 176.6 | -66.4 | 170 | 0 | 0 | 0 | 110.3 | L1047 Y1049 L1054 G1055 L1056 R1057 Q1058 P1059 L1062 | L1047-I1051 HydrophobicContact CB-CD1 4.38Å; L1047-I1051 HydrophobicContact CD2-CD1 4.41Å; L1047-I1051 WeakPolarHBondContact O-CB 3.46Å; L1047-I1051 WeakPolarHBondContact O-CG1 3.32Å; L1047-I1051 PolarHBondContact O-N 2.71Å; Y1049-I1051 PolarHBondContact O-N 3.48Å; I1051-L1054 PolarHBondContact O-N 3.17Å; I1051-G1055 PolarHBondContact O-N 3.19Å; I1051-L1056 HydrophobicContact CB-CB 4.47Å; I1051-L1056 HydrophobicContact CG2-CB 3.81Å; I1051-L1056 WeakPolarHBondContact CG2-O 3.35Å; I1051-L1056 PolarHBondContact O-N 3.3Å; I1051-R1057 WeakPolarHBondContact CG2-O 3.11Å; I1051-Q1058 HydrophobicContact CG2-CG 3.96Å; I1051-P1059 WeakPolarHBondContact CD1-O 3.41Å; I1051-L1062 HydrophobicContact CD1-CB 4.06Å; I1051-L1062 HydrophobicContact CG1-CB 3.56Å; I1051-L1062 HydrophobicContact CG1-CD2 4.46Å |
| 1052 | S | 85.9 | Confident | 87.9 | Confident | 62 Ų | 62 | 41.2 Ų | 41.2 | 43% | 0.434 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65 | -45 | 180 | -177.3 | 0 | 0 | 0 | 0 | 112.3 | Q854 S1048 Y1049 L1054 G1055 | Q854-S1052 PolarHBondContact NE2-OG 2.84Å; S1048-S1052 WeakPolarHBondContact O-CB 3.45Å; S1048-S1052 PolarHBondContact O-N 2.83Å; S1048-S1052 VanDerWaalsContact O-N 3.08Å; Y1049-S1052 PolarHBondContact O-N 3.48Å; S1052-L1054 VanDerWaalsContact C-N 3.28Å; S1052-L1054 PolarHBondContact O-N 3.1Å; S1052-G1055 PolarHBondContact O-N 3.05Å; S1052-G1055 VanDerWaalsContact O-N 3.16Å |
| 1053 | T | 87.4 | Confident | 87.8 | Confident | 43 Ų | 43 | 47.6 Ų | 47.6 | 26% | 0.264 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.3 | -25.5 | -178 | -159.7 | 0 | 0 | 0 | 0 | 113.3 | R926 Y1049 L1050 | R926-T1053 VanDerWaalsContact CZ-OG1 3.28Å; R926-T1053 PolarHBondContact NE-OG1 3.19Å; R926-T1053 PolarHBondContact NH2-OG1 2.73Å; Y1049-T1053 HydrophobicContact CE2-CG2 4.45Å; Y1049-T1053 WeakPolarHBondContact O-CB 3.39Å; Y1049-T1053 PolarHBondContact O-N 3.12Å; L1050-T1053 WeakPolarHBondContact O-CG2 3.48Å |
| 1054 | L | 89.8 | Confident | 87.7 | Confident | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.047 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -90.5 | -8.6 | 174.2 | -63.4 | 173.8 | 0 | 0 | 0 | 113.3 | F925 R926 L929 L1050 I1051 S1052 L1056 I1086 | F925-L1054 HydrophobicContact CB-CD1 3.92Å; F925-L1054 HydrophobicContact CB-CD2 3.72Å; F925-L1054 HydrophobicContact CB-CG 4.37Å; F925-L1054 HydrophobicContact CD2-CD1 4.01Å; F925-L1054 HydrophobicContact CG-CD1 4.4Å; R926-L1054 HydrophobicContact CG-CD2 4.18Å; L929-L1054 HydrophobicContact CD2-CB 4.49Å; L929-L1054 HydrophobicContact CD2-CD2 4.22Å; L929-L1054 WeakPolarHBondContact CD2-O 3.39Å; L1050-L1054 VanDerWaalsContact O-CB 3.31Å; L1050-L1054 WeakPolarHBondContact O-CB 3.3Å; L1050-L1054 WeakPolarHBondContact O-CD1 3.09Å; L1050-L1054 WeakPolarHBondContact O-CG 3.39Å; L1050-L1054 PolarHBondContact O-N 3.05Å; L1050-L1054 VanDerWaalsContact O-N 3.1Å; I1051-L1054 PolarHBondContact O-N 3.17Å; S1052-L1054 VanDerWaalsContact C-N 3.28Å; S1052-L1054 PolarHBondContact O-N 3.1Å; L1054-L1056 VanDerWaalsContact C-N 3.33Å; L1054-L1056 HydrophobicContact CB-CD1 3.95Å; L1054-L1056 HydrophobicContact CB-CG 3.78Å; L1054-L1056 HydrophobicContact CD1-CD1 3.94Å; L1054-I1086 HydrophobicContact CD1-CD1 3.8Å |
| 1055 | G | 80.3 | Confident | 87.7 | Confident | 60 Ų | 60 | 47.6 Ų | 47.6 | 62% | 0.619 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 29.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | I1051 S1052 | I1051-G1055 PolarHBondContact O-N 3.19Å; S1052-G1055 PolarHBondContact O-N 3.05Å; S1052-G1055 VanDerWaalsContact O-N 3.16Å |
| 1056 | L | 84.9 | Confident | 87.6 | Confident | 10 Ų | 10 | 44.5 Ų | 44.5 | 5% | 0.052 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -82.1 | 165.5 | 179.3 | -59.5 | 174.2 | 0 | 0 | 0 | 111.3 | A958 I1051 L1054 L1062 F1088 | A958-L1056 HydrophobicContact CB-CD1 3.95Å; A958-L1056 HydrophobicContact CB-CD2 4.42Å; I1051-L1056 HydrophobicContact CB-CB 4.47Å; I1051-L1056 HydrophobicContact CG2-CB 3.81Å; I1051-L1056 WeakPolarHBondContact CG2-O 3.35Å; I1051-L1056 PolarHBondContact O-N 3.3Å; L1054-L1056 VanDerWaalsContact C-N 3.33Å; L1054-L1056 HydrophobicContact CB-CD1 3.95Å; L1054-L1056 HydrophobicContact CB-CG 3.78Å; L1054-L1056 HydrophobicContact CD1-CD1 3.94Å; L1056-L1062 HydrophobicContact CD1-CB 4.18Å; L1056-L1062 HydrophobicContact CD1-CD1 3.93Å; L1056-F1088 HydrophobicContact CD2-CD1 4.34Å; L1056-F1088 HydrophobicContact CD2-CE1 4.39Å |
| 1057 | R | 79.2 | Confident | 87.3 | Confident | 70 Ų | 70 | 44.6 Ų | 44.6 | 26% | 0.264 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -62.2 | 138.4 | 176.8 | -178.6 | 173.4 | 57.7 | -135.4 | -5.4 | 111.1 | S956 D957 I1051 G1061 | S956-R1057 WeakPolarHBondContact O-CB 3.18Å; S956-R1057 PolarHBondContact O-N 3.34Å; D957-R1057 IonicContact OD1-CZ 3.34Å; D957-R1057 IonicContact OD1-NE 3.09Å; D957-R1057 IonicContact OD1-NH2 3.88Å; D957-R1057 PolarHBondContact OD1-NH2 3.34Å; D957-R1057 IonicContact OD2-CZ 3.45Å; D957-R1057 VanDerWaalsContact OD2-CZ 3.25Å; D957-R1057 IonicContact OD2-NH1 2.76Å; D957-R1057 PolarHBondContact OD2-NH1 2.87Å; D957-R1057 IonicContact OD2-NH2 3.24Å; D957-R1057 PolarHBondContact OD2-NH2 3.3Å; I1051-R1057 WeakPolarHBondContact CG2-O 3.11Å; R1057-G1061 WeakPolarHBondContact O-CA 3.34Å; R1057-G1061 PolarHBondContact O-N 3.39Å |
| 1058 | Q | 76.7 | Confident | 86.8 | Confident | 71 Ų | 71 | 45.2 Ų | 45.2 | 33% | 0.332 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 149.1 | 179.9 | -66.6 | -76.3 | -6.3 | 0 | 0 | 110.8 | I1051 | I1051-Q1058 HydrophobicContact CG2-CG 3.96Š|
| 1059 | P | 74.4 | Confident | 86.7 | Confident | 87 Ų | 87 | 48 Ų | 48 | 57% | 0.565 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -88 | -2 | -14.2 | 36 | -32.5 | 0 | 0 | 0 | 113.2 | I1051 | I1051-P1059 WeakPolarHBondContact CD1-O 3.41Š|
| 1060 | D | 80.1 | Confident | 86.3 | Confident | 119 Ų | 119 | 48.3 Ų | 48.3 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | 11.2 | -165.4 | -57.9 | -39.4 | 0 | 0 | 0 | 114.5 | L1062 | D1060-L1062 PolarHBondContact O-N 3.14Å; D1060-L1062 VanDerWaalsContact O-N 3.1Å |
| 1061 | G | 82.8 | Confident | 85.7 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -69 | -5.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D957 A958 R1057 | D957-G1061 CarbonylContact C-O 3.31Å; D957-G1061 VanDerWaalsContact CA-O 3.23Å; D957-G1061 WeakPolarHBondContact CA-O 3.39Å; D957-G1061 WeakPolarHBondContact OD1-CA 3.38Å; A958-G1061 PolarHBondContact N-O 2.96Å; R1057-G1061 WeakPolarHBondContact O-CA 3.34Å; R1057-G1061 PolarHBondContact O-N 3.39Å |
| 1062 | L | 91.9 | Very high | 85.2 | Confident | 9 Ų | 9 | 61 Ų | 61 | 5% | 0.047 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 110.8 | 177.5 | -169.8 | 64.1 | 0 | 0 | 0 | 110 | A958 V960 L1047 L1050 I1051 L1056 D1060 I1086 | A958-L1062 HydrophobicContact CB-CD1 3.78Å; A958-L1062 WeakPolarHBondContact O-CA 3.39Å; V960-L1062 HydrophobicContact CG2-CD1 3.54Å; V960-L1062 HydrophobicContact CG2-CD2 4.4Å; V960-L1062 HydrophobicContact CG2-CG 4.13Å; L1047-L1062 HydrophobicContact CD2-CB 3.96Å; L1047-L1062 HydrophobicContact CD2-CD2 4.03Å; L1047-L1062 HydrophobicContact CD2-CG 4.16Å; L1050-L1062 HydrophobicContact CB-CD2 3.71Å; L1050-L1062 HydrophobicContact CD1-CD2 4.23Å; I1051-L1062 HydrophobicContact CD1-CB 4.06Å; I1051-L1062 HydrophobicContact CG1-CB 3.56Å; I1051-L1062 HydrophobicContact CG1-CD2 4.46Å; L1056-L1062 HydrophobicContact CD1-CB 4.18Å; L1056-L1062 HydrophobicContact CD1-CD1 3.93Å; D1060-L1062 PolarHBondContact O-N 3.14Å; D1060-L1062 VanDerWaalsContact O-N 3.1Å; L1062-I1086 HydrophobicContact CD1-CD1 3.97Å |
| 1063 | K | 92.3 | Very high | 84.7 | Confident | 135 Ų | 135 | 61.6 Ų | 61.6 | 59% | 0.587 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 146 | 175.8 | -65 | -177.8 | -178.6 | 177.8 | 0 | 110.5 | A958 V959 V960 | A958-K1063 PolarHBondContact O-N 3.27Å; V959-K1063 CarbonylContact C-O 3.54Å; V959-K1063 WeakPolarHBondContact CA-O 3.23Å; V959-K1063 HydrophobicContact CG2-CB 4.42Å; V960-K1063 PolarHBondContact N-O 2.94Å |
| 1064 | I | 93.6 | Very high | 84.2 | Confident | 31 Ų | 31 | 61.2 Ų | 61.2 | 16% | 0.159 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 123.2 | -178.3 | -50 | 162.1 | 0 | 0 | 0 | 108.3 | V960 V962 I1043 K1044 L1047 | V960-I1064 WeakPolarHBondContact O-CA 3.41Å; V962-I1064 HydrophobicContact CG1-CG2 4.35Å; V962-I1064 HydrophobicContact CG2-CG2 4.18Å; I1043-I1064 HydrophobicContact CB-CD1 3.94Å; I1043-I1064 HydrophobicContact CG2-CD1 3.44Å; I1043-I1064 VanDerWaalsContact CG2-CD1 3.44Å; I1043-I1064 HydrophobicContact CG2-CG1 3.81Å; K1044-I1064 HydrophobicContact CB-CD1 4.3Å; K1044-I1064 HydrophobicContact CG-CD1 3.48Å; K1044-I1064 VanDerWaalsContact CG-CD1 3.48Å; L1047-I1064 HydrophobicContact CD1-CD1 4.4Å; L1047-I1064 HydrophobicContact CD2-CD1 4.04Å; L1047-I1064 HydrophobicContact CD2-CG1 4.44Å; L1047-I1064 HydrophobicContact CG-CD1 4.33Å |
| 1065 | N | 93.3 | Very high | 83.8 | Confident | 65 Ų | 65 | 61.5 Ų | 61.5 | 35% | 0.348 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 154.9 | 179.3 | -67.3 | -15.1 | 0 | 0 | 0 | 110.5 | V959 V960 W961 V962 | V959-N1065 WeakPolarHBondContact CG1-ND2 3.2Å; V960-N1065 PolarHBondContact O-N 2.69Å; W961-N1065 WeakPolarHBondContact CA-O 3.36Å; W961-N1065 HydrophobicContact CD2-CB 4.13Å; W961-N1065 HydrophobicContact CE3-CB 3.53Å; W961-N1065 HydrophobicContact CH2-CB 4.03Å; W961-N1065 HydrophobicContact CZ3-CB 3.48Å; W961-N1065 VanDerWaalsContact CZ3-CB 3.48Å; V962-N1065 PolarHBondContact N-O 2.79Å |
| 1066 | Y | 92.5 | Very high | 83.8 | Confident | 53 Ų | 53 | 63.1 Ų | 63.1 | 21% | 0.208 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 139.6 | 169.4 | -65.3 | -70.4 | 0 | 0 | 0 | 110.8 | W961 V962 K964 C1040 C1068 D1069 | W961-Y1066 WeakPolarHBondContact CZ3-O 3.46Å; V962-Y1066 HydrophobicContact CG2-CD1 3.75Å; V962-Y1066 HydrophobicContact CG2-CE1 3.95Å; V962-Y1066 WeakPolarHBondContact O-CA 3.1Å; K964-Y1066 HydrophobicContact CB-CD1 3.59Å; K964-Y1066 HydrophobicContact CB-CE1 4.05Å; K964-Y1066 HydrophobicContact CB-CG 4.15Å; K964-Y1066 HydrophobicContact CD-CD1 4.17Å; K964-Y1066 HydrophobicContact CD-CD2 4.35Å; K964-Y1066 HydrophobicContact CD-CE1 4.32Å; K964-Y1066 HydrophobicContact CD-CE2 4.49Å; K964-Y1066 HydrophobicContact CD-CG 4.18Å; K964-Y1066 HydrophobicContact CG-CD1 3.96Å; K964-Y1066 HydrophobicContact CG-CE1 3.98Å; K964-Y1066 HydrophobicContact CG-CG 4.46Å; C1040-Y1066 HydrophobicContact CB-CE1 3.81Å; C1040-Y1066 WeakPolarHBondContact CB-OH 3.45Å; Y1066-C1068 PolarHBondContact O-N 3.28Å; Y1066-D1069 PolarHBondContact O-N 3.32Å |
| 1067 | S | 87.4 | Confident | 83.4 | Confident | 8 Ų | 8 | 66.8 Ų | 66.8 | 6% | 0.056 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -60.6 | -30.2 | 179.7 | 59.7 | 0 | 0 | 0 | 0 | 113.4 | V962 D1069 S1070 | V962-S1067 PolarHBondContact O-N 3.28Å; S1067-D1069 PolarHBondContact O-N 3.48Å; S1067-S1070 WeakPolarHBondContact O-CB 3.2Å; S1067-S1070 PolarHBondContact O-N 3.36Å |
| 1068 | C | 83.7 | Confident | 83.3 | Confident | 59 Ų | 59 | 65.7 Ų | 65.7 | 40% | 0.399 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -68.9 | -16.8 | 174.8 | 61.4 | 0 | 0 | 0 | 0 | 114.1 | Y1066 S1070 | Y1066-C1068 PolarHBondContact O-N 3.28Å; C1068-S1070 VanDerWaalsContact C-N 3.32Å |
| 1069 | D | 86.4 | Confident | 83.7 | Confident | 108 Ų | 108 | 62.4 Ų | 62.4 | 58% | 0.578 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -93.8 | 3.7 | 177.4 | -55.6 | -25.5 | 0 | 0 | 0 | 111.3 | Y1066 S1067 | Y1066-D1069 PolarHBondContact O-N 3.32Å; S1067-D1069 PolarHBondContact O-N 3.48Å |
| 1070 | S | 84 | Confident | 84.2 | Confident | 14 Ų | 14 | 58.4 Ų | 58.4 | 10% | 0.098 | 32% | 0.32 | C | S | . | . | trans | -77.6 | 136.1 | 178.9 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | S1067 C1068 D1072 | S1067-S1070 WeakPolarHBondContact O-CB 3.2Å; S1067-S1070 PolarHBondContact O-N 3.36Å; C1068-S1070 VanDerWaalsContact C-N 3.32Å; S1070-D1072 PolarHBondContact O-N 2.86Å; S1070-D1072 PolarHBondContact OG-N 3.24Å; S1070-D1072 PolarHBondContact OG-O 3.36Å; S1070-D1072 VanDerWaalsContact OG-O 3.12Å | ||
| 1071 | N | 81.7 | Confident | 84.4 | Confident | 179 Ų | 179 | 53.4 Ų | 53.4 | 96% | 0.957 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -76.4 | -10.2 | 167.4 | -66.7 | -25.4 | 0 | 0 | 0 | 112.7 | ||
| 1072 | D | 80.9 | Confident | 84.5 | Confident | 87 Ų | 87 | 55.5 Ų | 55.5 | 47% | 0.465 | 31% | 0.305 | S | S | . | . | trans | -97.2 | 105.5 | 176.2 | -174.1 | -11.7 | 0 | 0 | 0 | 110.2 | S1070 G1074 I1075 E1076 | S1070-D1072 PolarHBondContact O-N 2.86Å; S1070-D1072 PolarHBondContact OG-N 3.24Å; S1070-D1072 PolarHBondContact OG-O 3.36Å; S1070-D1072 VanDerWaalsContact OG-O 3.12Å; D1072-G1074 PolarHBondContact O-N 3.48Å; D1072-G1074 VanDerWaalsContact O-N 3.12Å; D1072-G1074 WeakPolarHBondContact OD1-CA 3.32Å; D1072-G1074 PolarHBondContact OD1-N 3.34Å; D1072-I1075 HydrophobicContact CB-CB 4.5Å; D1072-I1075 HydrophobicContact CB-CD1 4.04Å; D1072-I1075 HydrophobicContact CB-CG1 4.09Å; D1072-I1075 WeakPolarHBondContact O-CB 3.37Å; D1072-I1075 PolarHBondContact O-N 2.86Å; D1072-E1076 PolarHBondContact O-N 3.46Å | ||
| 1073 | S | 74.6 | Confident | 84.2 | Confident | 76 Ų | 76 | 59.7 Ų | 59.7 | 53% | 0.531 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -52.9 | -28.4 | 174.9 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | I1075 E1076 E1077 | S1073-I1075 VanDerWaalsContact C-N 3.33Å; S1073-I1075 PolarHBondContact O-N 2.89Å; S1073-E1076 PolarHBondContact O-N 2.97Å; S1073-E1077 WeakPolarHBondContact O-CG 3.42Å; S1073-E1077 PolarHBondContact O-N 2.82Å; S1073-E1077 VanDerWaalsContact O-N 3.07Å |
| 1074 | G | 77 | Confident | 84.2 | Confident | 35 Ų | 35 | 54.2 Ų | 54.2 | 36% | 0.361 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.2 | -33.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D1072 S1078 | D1072-G1074 PolarHBondContact O-N 3.48Å; D1072-G1074 VanDerWaalsContact O-N 3.12Å; D1072-G1074 WeakPolarHBondContact OD1-CA 3.32Å; D1072-G1074 PolarHBondContact OD1-N 3.34Å; G1074-S1078 WeakPolarHBondContact O-CB 3.46Å; G1074-S1078 PolarHBondContact O-N 2.84Å; G1074-S1078 PolarHBondContact O-OG 3.35Å |
| 1075 | I | 83.1 | Confident | 84.1 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 7% | 0.072 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.9 | -46.8 | 175.6 | -63.5 | 178.8 | 0 | 0 | 0 | 109.8 | W961 D1072 S1073 E1077 S1078 V1079 L1085 L1087 | W961-I1075 HydrophobicContact CB-CG2 3.94Å; W961-I1075 HydrophobicContact CD2-CD1 4.43Å; W961-I1075 HydrophobicContact CD2-CG2 3.77Å; W961-I1075 HydrophobicContact CE3-CG2 4.08Å; W961-I1075 HydrophobicContact CG-CG2 3.7Å; W961-I1075 HydrophobicContact CZ2-CD1 4.27Å; D1072-I1075 HydrophobicContact CB-CB 4.5Å; D1072-I1075 HydrophobicContact CB-CD1 4.04Å; D1072-I1075 HydrophobicContact CB-CG1 4.09Å; D1072-I1075 WeakPolarHBondContact O-CB 3.37Å; D1072-I1075 PolarHBondContact O-N 2.86Å; S1073-I1075 VanDerWaalsContact C-N 3.33Å; S1073-I1075 PolarHBondContact O-N 2.89Å; I1075-E1077 VanDerWaalsContact C-N 3.32Å; I1075-E1077 PolarHBondContact O-N 2.76Å; I1075-S1078 PolarHBondContact O-N 2.78Å; I1075-S1078 PolarHBondContact O-OG 2.6Å; I1075-V1079 HydrophobicContact CG2-CG2 3.83Å; I1075-V1079 VanDerWaalsContact O-CG2 3.3Å; I1075-V1079 WeakPolarHBondContact O-CG2 3.11Å; I1075-V1079 PolarHBondContact O-N 2.84Å; I1075-V1079 VanDerWaalsContact O-N 3.08Å; I1075-L1085 HydrophobicContact CG1-CD2 4.34Å; I1075-L1087 HydrophobicContact CD1-CD1 3.94Å |
| 1076 | E | 78.8 | Confident | 84.2 | Confident | 94 Ų | 94 | 52.4 Ų | 52.4 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.5 | -44.2 | 179.5 | -171.9 | -177.2 | -178.7 | 0 | 0 | 112.1 | D1072 S1073 | D1072-E1076 PolarHBondContact O-N 3.46Å; S1073-E1076 PolarHBondContact O-N 2.97Å |
| 1077 | E | 76.4 | Confident | 84.1 | Confident | 88 Ų | 88 | 53.7 Ų | 53.7 | 41% | 0.411 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -77.9 | -24.9 | -178.5 | -69.8 | -178.7 | 178.4 | 0 | 0 | 114.3 | W969 S1073 I1075 | W969-E1077 PolarHBondContact NE1-O 2.74Å; S1073-E1077 WeakPolarHBondContact O-CG 3.42Å; S1073-E1077 PolarHBondContact O-N 2.82Å; S1073-E1077 VanDerWaalsContact O-N 3.07Å; I1075-E1077 VanDerWaalsContact C-N 3.32Å; I1075-E1077 PolarHBondContact O-N 2.76Å |
| 1078 | S | 78 | Confident | 84.2 | Confident | 46 Ų | 46 | 54.5 Ų | 54.5 | 32% | 0.322 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -97.8 | -30.7 | -170.7 | 64.7 | 0 | 0 | 0 | 0 | 114.7 | G1074 I1075 C1080 | G1074-S1078 WeakPolarHBondContact O-CB 3.46Å; G1074-S1078 PolarHBondContact O-N 2.84Å; G1074-S1078 PolarHBondContact O-OG 3.35Å; I1075-S1078 PolarHBondContact O-N 2.78Å; I1075-S1078 PolarHBondContact O-OG 2.6Å; S1078-C1080 PolarHBondContact O-N 2.89Å; S1078-C1080 PolarHBondContact O-SG 2.93Å; S1078-C1080 VanDerWaalsContact O-SG 3.36Å |
| 1079 | V | 85.6 | Confident | 84.3 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | trans | -73.8 | 115.8 | 179.4 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | W961 A963 P967 I1075 L1085 | W961-V1079 HydrophobicContact CB-CG2 3.97Å; W961-V1079 WeakPolarHBondContact O-CG1 3.45Å; A963-V1079 HydrophobicContact CB-CG1 4.26Å; P967-V1079 WeakPolarHBondContact CG-O 3.39Å; I1075-V1079 HydrophobicContact CG2-CG2 3.83Å; I1075-V1079 VanDerWaalsContact O-CG2 3.3Å; I1075-V1079 WeakPolarHBondContact O-CG2 3.11Å; I1075-V1079 PolarHBondContact O-N 2.84Å; I1075-V1079 VanDerWaalsContact O-N 3.08Å; V1079-L1085 HydrophobicContact CG2-CB 3.71Å; V1079-L1085 HydrophobicContact CG2-CD2 4.17Å | ||
| 1080 | C | 84.1 | Confident | 83.5 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.02 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -111.2 | 156.2 | -178 | -60.3 | 0 | 0 | 0 | 0 | 110.1 | Q970 S1078 L1082 E1083 | Q970-C1080 PolarHBondContact NE2-SG 3.47Å; Q970-C1080 VanDerWaalsContact NE2-SG 3.45Å; S1078-C1080 PolarHBondContact O-N 2.89Å; S1078-C1080 PolarHBondContact O-SG 2.93Å; S1078-C1080 VanDerWaalsContact O-SG 3.36Å; C1080-L1082 PolarHBondContact O-N 2.86Å; C1080-E1083 HydrophobicContact CB-CB 4.38Å; C1080-E1083 CarbonylContact O-C 3.59Å; C1080-E1083 PolarHBondContact O-N 2.83Å |
| 1081 | P | 84.7 | Confident | 82.5 | Confident | 15 Ų | 15 | 56.7 Ų | 56.7 | 10% | 0.097 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 135.3 | 174.4 | -32.8 | 40.7 | 0 | 0 | 0 | 113.6 | A963 Y966 L1035 E1039 E1083 | A963-P1081 HydrophobicContact CB-CG 4.05Å; Y966-P1081 HydrophobicContact CD1-CG 3.69Å; Y966-P1081 HydrophobicContact CD2-CG 4.47Å; Y966-P1081 HydrophobicContact CE1-CB 4.23Å; Y966-P1081 HydrophobicContact CE1-CG 3.78Å; Y966-P1081 HydrophobicContact CG-CG 4.06Å; L1035-P1081 HydrophobicContact CD2-CB 3.68Å; L1035-P1081 HydrophobicContact CD2-CG 3.43Å; L1035-P1081 VanDerWaalsContact CD2-CG 3.43Å; E1039-P1081 VanDerWaalsContact OE1-CA 3.29Å; E1039-P1081 WeakPolarHBondContact OE1-CA 3.49Å; P1081-E1083 PolarHBondContact O-N 3.46Å |
| 1082 | L | 83.7 | Confident | 81.6 | Confident | 44 Ų | 44 | 49.9 Ų | 49.9 | 23% | 0.23 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 8.9 | -174.9 | -53 | 173.1 | 0 | 0 | 0 | 114.9 | L913 Y917 V1037 E1039 C1080 P1084 | L913-L1082 HydrophobicContact CD1-CD1 4.34Å; L913-L1082 HydrophobicContact CD2-CD1 4.49Å; Y917-L1082 HydrophobicContact CD2-CB 4.24Å; Y917-L1082 HydrophobicContact CD2-CD2 3.73Å; Y917-L1082 HydrophobicContact CE2-CB 4.45Å; Y917-L1082 HydrophobicContact CE2-CD2 4.23Å; Y917-L1082 HydrophobicContact CG-CD2 4.2Å; V1037-L1082 HydrophobicContact CB-CD2 4.21Å; V1037-L1082 HydrophobicContact CG2-CD2 4.4Å; E1039-L1082 HydrophobicContact CG-CD2 4.41Å; E1039-L1082 PolarHBondContact OE1-N 3.3Å; E1039-L1082 WeakPolarHBondContact OE2-CA 3.32Å; E1039-L1082 PolarHBondContact OE2-N 2.92Å; C1080-L1082 PolarHBondContact O-N 2.86Å; L1082-P1084 VanDerWaalsContact C-CD 3.46Å |
| 1083 | E | 86.9 | Confident | 81.1 | Confident | 98 Ų | 98 | 48.6 Ų | 48.6 | 46% | 0.458 | 28% | 0.275 | S | S | . | . | B | Isolated β-bridge | trans | -124.8 | 67.6 | 176.3 | -66.5 | -174.5 | 179.4 | 0 | 0 | 110.5 | R1011 C1080 P1081 | R1011-E1083 IonicContact NH2-OE2 2.94Å; C1080-E1083 HydrophobicContact CB-CB 4.38Å; C1080-E1083 CarbonylContact O-C 3.59Å; C1080-E1083 PolarHBondContact O-N 2.83Å; P1081-E1083 PolarHBondContact O-N 3.46Å |
| 1084 | P | 92 | Very high | 81.1 | Confident | 20 Ų | 20 | 46 Ų | 46 | 13% | 0.13 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -66 | 143.2 | -178.3 | 29.2 | -38.6 | 0 | 0 | 0 | 111.6 | Y917 T921 F925 V960 W961 V962 L1082 | Y917-P1084 HydrophobicContact CE2-CG 4.07Å; Y917-P1084 WeakPolarHBondContact OH-CG 2.92Å; T921-P1084 HydrophobicContact CG2-CG 3.91Å; F925-P1084 HydrophobicContact CE1-CB 4.3Å; F925-P1084 HydrophobicContact CE1-CG 4.06Å; F925-P1084 HydrophobicContact CZ-CB 4.2Å; F925-P1084 HydrophobicContact CZ-CG 4.11Å; V960-P1084 HydrophobicContact CG1-CB 4Å; W961-P1084 WeakPolarHBondContact O-CA 3.21Å; V962-P1084 HydrophobicContact CG1-CB 4.17Å; L1082-P1084 VanDerWaalsContact C-CD 3.46Å |
| 1085 | L | 91.7 | Very high | 81.4 | Confident | 52 Ų | 52 | 44.4 Ų | 44.4 | 27% | 0.272 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 122.2 | 176.2 | 176.1 | 65.7 | 0 | 0 | 0 | 110.2 | V960 W961 I1075 V1079 L1087 | V960-L1085 CarbonylContact C-O 3.25Å; V960-L1085 WeakPolarHBondContact CA-O 3.19Å; W961-L1085 HydrophobicContact CB-CB 4.38Å; W961-L1085 PolarHBondContact N-O 3.44Å; W961-L1085 PolarHBondContact O-N 3.47Å; I1075-L1085 HydrophobicContact CG1-CD2 4.34Å; V1079-L1085 HydrophobicContact CG2-CB 3.71Å; V1079-L1085 HydrophobicContact CG2-CD2 4.17Å; L1085-L1087 HydrophobicContact CD1-CD2 4.41Å; L1085-L1087 HydrophobicContact CD2-CD2 4.38Å; L1085-L1087 HydrophobicContact CG-CD2 4.31Å; L1085-L1087 HydrophobicContact CG-CG 4.45Å |
| 1086 | I | 95 | Very high | 81.4 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 132.8 | 171.5 | -169.1 | 165.1 | 0 | 0 | 0 | 111.2 | F925 Q928 A958 V960 L1054 L1062 F1088 | F925-I1086 HydrophobicContact CB-CD1 4.12Å; F925-I1086 HydrophobicContact CB-CG2 4.27Å; F925-I1086 HydrophobicContact CD1-CB 3.63Å; F925-I1086 HydrophobicContact CD1-CD1 4.15Å; F925-I1086 HydrophobicContact CD1-CG2 3.35Å; F925-I1086 HydrophobicContact CD2-CD1 3.73Å; F925-I1086 HydrophobicContact CE1-CB 3.61Å; F925-I1086 HydrophobicContact CE1-CD1 4.5Å; F925-I1086 HydrophobicContact CE1-CG2 3.82Å; F925-I1086 HydrophobicContact CE2-CD1 4.09Å; F925-I1086 HydrophobicContact CG-CB 4.14Å; F925-I1086 HydrophobicContact CG-CD1 3.75Å; F925-I1086 HydrophobicContact CG-CG2 3.91Å; F925-I1086 HydrophobicContact CZ-CB 4.1Å; F925-I1086 HydrophobicContact CZ-CD1 4.46Å; Q928-I1086 HydrophobicContact CB-CG2 3.77Å; Q928-I1086 HydrophobicContact CG-CG2 4.01Å; A958-I1086 HydrophobicContact CB-CD1 3.83Å; A958-I1086 HydrophobicContact CB-CG1 3.86Å; V960-I1086 HydrophobicContact CG2-CB 4.12Å; V960-I1086 HydrophobicContact CG2-CD1 3.96Å; V960-I1086 HydrophobicContact CG2-CG1 3.88Å; L1054-I1086 HydrophobicContact CD1-CD1 3.8Å; L1062-I1086 HydrophobicContact CD1-CD1 3.97Å; I1086-F1088 HydrophobicContact CD1-CE1 3.93Å; I1086-F1088 HydrophobicContact CD1-CE2 4.38Å; I1086-F1088 HydrophobicContact CD1-CZ 3.73Å; I1086-F1088 HydrophobicContact CG1-CE1 4.45Å; I1086-F1088 HydrophobicContact CG1-CE2 4.31Å; I1086-F1088 HydrophobicContact CG1-CZ 4.14Å; I1086-F1088 HydrophobicContact CG2-CE2 3.98Å; I1086-F1088 HydrophobicContact CG2-CZ 4.24Å |
| 1087 | L | 91 | Very high | 81.9 | Confident | 80 Ų | 80 | 42.4 Ų | 42.4 | 42% | 0.419 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 119.7 | 171.5 | -60.2 | -179.6 | 0 | 0 | 0 | 109.1 | A958 V959 I1075 L1085 | A958-L1087 CarbonylContact C-O 3.48Å; A958-L1087 VanDerWaalsContact CA-O 3.31Å; A958-L1087 WeakPolarHBondContact CA-O 3.36Å; V959-L1087 PolarHBondContact N-O 3.11Å; V959-L1087 PolarHBondContact O-N 3.1Å; I1075-L1087 HydrophobicContact CD1-CD1 3.94Å; L1085-L1087 HydrophobicContact CD1-CD2 4.41Å; L1085-L1087 HydrophobicContact CD2-CD2 4.38Å; L1085-L1087 HydrophobicContact CG-CD2 4.31Å; L1085-L1087 HydrophobicContact CG-CG 4.45Å |
| 1088 | F | 89.7 | Confident | 82.5 | Confident | 24 Ų | 24 | 39.5 Ų | 39.5 | 11% | 0.105 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 130.6 | 176.4 | -64.8 | -81.3 | 0 | 0 | 0 | 110.4 | Q928 L929 Y932 P955 A958 L1056 I1086 | Q928-F1088 HydrophobicContact CB-CE2 3.9Å; L929-F1088 HydrophobicContact CB-CE1 4.21Å; L929-F1088 HydrophobicContact CB-CE2 4Å; L929-F1088 HydrophobicContact CB-CZ 3.61Å; L929-F1088 HydrophobicContact CD1-CD1 4.08Å; L929-F1088 HydrophobicContact CD1-CE1 3.83Å; L929-F1088 HydrophobicContact CD1-CE2 4.47Å; L929-F1088 HydrophobicContact CD1-CZ 4.05Å; L929-F1088 HydrophobicContact CG-CE1 4.48Å; L929-F1088 HydrophobicContact CG-CZ 4.35Å; Y932-F1088 HydrophobicContact CD2-CB 3.81Å; Y932-F1088 HydrophobicContact CD2-CD2 4.49Å; Y932-F1088 HydrophobicContact CE2-CB 3.89Å; Y932-F1088 HydrophobicContact CG-CB 4.15Å; Y932-F1088 HydrophobicContact CG-CD2 4.39Å; Y932-F1088 HydrophobicContact CG-CG 4.49Å; P955-F1088 HydrophobicContact CB-CB 3.88Å; P955-F1088 HydrophobicContact CB-CD1 4.05Å; P955-F1088 HydrophobicContact CB-CG 4.34Å; P955-F1088 HydrophobicContact CG-CB 4.02Å; P955-F1088 HydrophobicContact CG-CD1 3.6Å; P955-F1088 HydrophobicContact CG-CE1 4.41Å; P955-F1088 HydrophobicContact CG-CG 4Å; A958-F1088 HydrophobicContact CB-CD1 3.73Å; A958-F1088 HydrophobicContact CB-CE1 4.04Å; A958-F1088 HydrophobicContact CB-CG 4.41Å; L1056-F1088 HydrophobicContact CD2-CD1 4.34Å; L1056-F1088 HydrophobicContact CD2-CE1 4.39Å; I1086-F1088 HydrophobicContact CD1-CE1 3.93Å; I1086-F1088 HydrophobicContact CD1-CE2 4.38Å; I1086-F1088 HydrophobicContact CD1-CZ 3.73Å; I1086-F1088 HydrophobicContact CG1-CE1 4.45Å; I1086-F1088 HydrophobicContact CG1-CE2 4.31Å; I1086-F1088 HydrophobicContact CG1-CZ 4.14Å; I1086-F1088 HydrophobicContact CG2-CE2 3.98Å; I1086-F1088 HydrophobicContact CG2-CZ 4.24Å |
| 1089 | C | 84 | Confident | 83 | Confident | 47 Ų | 47 | 37.3 Ų | 37.3 | 32% | 0.318 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -69.2 | 152.5 | 177.5 | -61.8 | 0 | 0 | 0 | 0 | 110.4 | Y932 D957 | Y932-C1089 PolarHBondContact OH-O 2.84Å; D957-C1089 HydrophobicContact CB-CB 3.95Å; D957-C1089 WeakPolarHBondContact O-CB 3.49Å; D957-C1089 PolarHBondContact O-N 3.24Å |
| 1090 | E | 70 | Confident | 83.1 | Confident | 141 Ų | 141 | 38.3 Ų | 38.3 | 66% | 0.659 | 21% | 0.214 | S | C | * | . | P | Polyproline II helix | trans | -62.9 | 142.7 | 167.3 | -64.6 | -151.8 | 133.5 | 0 | 0 | 109.8 | K936 S1092 | K936-E1090 IonicContact NZ-OE1 3.35Å; K936-E1090 PolarHBondContact NZ-OE1 3.19Å; E1090-S1092 PolarHBondContact O-N 2.76Å |
| 1091 | P | 64.3 | Low | 82.9 | Confident | 40 Ų | 40 | 39.4 Ų | 39.4 | 26% | 0.26 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -56.2 | 135.2 | 177.9 | -19.7 | 30.2 | 0 | 0 | 0 | 110.1 | I953 F1117 | I953-P1091 HydrophobicContact CB-CB 4.29Å; I953-P1091 HydrophobicContact CB-CG 4.04Å; I953-P1091 HydrophobicContact CG2-CB 3.64Å; I953-P1091 HydrophobicContact CG2-CG 3.85Å; P1091-F1117 HydrophobicContact CB-CE1 4.48Å |
| 1092 | S | 62.7 | Low | 82.5 | Confident | 35 Ų | 35 | 40.6 Ų | 40.6 | 25% | 0.245 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -57.9 | 164.1 | 164.8 | 39.2 | 0 | 0 | 0 | 0 | 110.8 | E1090 T1094 | E1090-S1092 PolarHBondContact O-N 2.76Å; S1092-T1094 WeakPolarHBondContact O-CG2 3.46Å; S1092-T1094 PolarHBondContact O-N 2.95Å |
| 1093 | T | 70 | Confident | 82 | Confident | 61 Ų | 61 | 40.5 Ų | 40.5 | 37% | 0.374 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -48.5 | 131.2 | 172 | 20.9 | 0 | 0 | 0 | 0 | 109.6 | D1118 V1178 | T1093-D1118 PolarHBondContact O-N 3.28Å; T1093-V1178 PolarHBondContact OG1-O 3.05Å |
| 1094 | T | 75.2 | Confident | 81.2 | Confident | 20 Ų | 20 | 42.8 Ų | 42.8 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 157.4 | -176.2 | 67.6 | 0 | 0 | 0 | 0 | 112.1 | I953 S1092 T1115 I1116 F1117 S1182 | I953-T1094 HydrophobicContact CD1-CG2 4.49Å; I953-T1094 WeakPolarHBondContact CD1-OG1 3.49Å; I953-T1094 HydrophobicContact CG2-CG2 4.01Å; S1092-T1094 WeakPolarHBondContact O-CG2 3.46Å; S1092-T1094 PolarHBondContact O-N 2.95Å; T1094-T1115 HydrophobicContact CG2-CG2 3.72Å; T1094-I1116 CarbonylContact C-O 3.52Å; T1094-I1116 WeakPolarHBondContact CA-O 3.48Å; T1094-I1116 WeakPolarHBondContact CB-O 3.33Å; T1094-F1117 HydrophobicContact CG2-CD1 3.35Å; T1094-F1117 HydrophobicContact CG2-CE1 3.65Å; T1094-F1117 HydrophobicContact CG2-CG 4.03Å; T1094-S1182 VanDerWaalsContact O-CB 3.32Å; T1094-S1182 WeakPolarHBondContact O-CB 3.36Å; T1094-S1182 PolarHBondContact O-OG 2.78Å |
| 1095 | A | 82.2 | Confident | 80.2 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 146.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | T1115 I1116 V1178 S1182 V1184 | A1095-T1115 CarbonylContact O-C 3.56Å; A1095-I1116 PolarHBondContact N-O 3.02Å; A1095-I1116 PolarHBondContact O-N 3.3Å; A1095-V1178 HydrophobicContact CB-CG1 3.73Å; A1095-V1178 HydrophobicContact CB-CG2 4.41Å; A1095-S1182 WeakPolarHBondContact CB-O 3.32Å; A1095-V1184 HydrophobicContact CB-CG2 3.15Å |
| 1096 | S | 84.3 | Confident | 79.2 | Confident | 63 Ų | 63 | 44.9 Ų | 44.9 | 44% | 0.441 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 114.6 | 178.8 | -157.9 | 0 | 0 | 0 | 0 | 109.4 | G1113 | S1096-G1113 WeakPolarHBondContact OG-CA 3.26Å; S1096-G1113 PolarHBondContact OG-O 3.13Å |
| 1097 | I | 88.7 | Confident | 78.1 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138.1 | -178.3 | -62.1 | -59.5 | 0 | 0 | 0 | 110 | F1099 V1114 I1116 V1184 G1196 L1199 | I1097-F1099 HydrophobicContact CB-CE2 3.93Å; I1097-F1099 HydrophobicContact CG2-CD2 4.05Å; I1097-F1099 HydrophobicContact CG2-CE2 3.66Å; I1097-F1099 HydrophobicContact CG2-CZ 4.24Å; I1097-V1114 PolarHBondContact N-O 2.86Å; I1097-V1114 WeakPolarHBondContact O-CB 3.49Å; I1097-V1114 PolarHBondContact O-N 3.05Å; I1097-I1116 HydrophobicContact CB-CG1 3.92Å; I1097-I1116 HydrophobicContact CG1-CB 4.41Å; I1097-I1116 HydrophobicContact CG1-CG1 3.52Å; I1097-V1184 HydrophobicContact CD1-CB 4.43Å; I1097-V1184 HydrophobicContact CD1-CG2 3.82Å; I1097-V1184 HydrophobicContact CG1-CG2 4.1Å; I1097-G1196 VanDerWaalsContact CD1-O 3.32Å; I1097-G1196 WeakPolarHBondContact CD1-O 3.36Å; I1097-L1199 HydrophobicContact CG2-CB 4.22Å; I1097-L1199 HydrophobicContact CG2-CD1 4.05Å; I1097-L1199 HydrophobicContact CG2-CG 3.95Å |
| 1098 | T | 88.4 | Confident | 77.4 | Confident | 27 Ų | 27 | 43 Ų | 43 | 17% | 0.166 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 127 | 171.6 | -59 | 0 | 0 | 0 | 0 | 109.9 | L1100 T1110 L1111 N1112 K1197 K1198 L1199 | T1098-L1100 HydrophobicContact CG2-CD2 3.91Å; T1098-L1100 HydrophobicContact CG2-CG 4.47Å; T1098-T1110 HydrophobicContact CG2-CG2 3.66Å; T1098-L1111 CarbonylContact C-O 3.56Å; T1098-L1111 WeakPolarHBondContact CA-O 3.32Å; T1098-N1112 WeakPolarHBondContact CG2-OD1 3.34Å; T1098-K1197 PolarHBondContact N-O 2.7Å; T1098-K1198 CarbonylContact O-C 3.5Å; T1098-K1198 VanDerWaalsContact O-CA 3.27Å; T1098-K1198 WeakPolarHBondContact O-CA 3.48Å; T1098-L1199 PolarHBondContact O-N 2.85Å |
| 1099 | F | 89.4 | Confident | 77 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 109.6 | 175.4 | -73.6 | -106.9 | 0 | 0 | 0 | 108.9 | I1097 T1110 L1111 V1114 I1116 V1125 V1129 L1146 L1199 Y1201 | I1097-F1099 HydrophobicContact CB-CE2 3.93Å; I1097-F1099 HydrophobicContact CG2-CD2 4.05Å; I1097-F1099 HydrophobicContact CG2-CE2 3.66Å; I1097-F1099 HydrophobicContact CG2-CZ 4.24Å; F1099-T1110 CarbonylContact O-C 3.58Å; F1099-T1110 WeakPolarHBondContact O-CA 3.17Å; F1099-L1111 HydrophobicContact CB-CB 4.2Å; F1099-L1111 PolarHBondContact N-O 3.42Å; F1099-L1111 PolarHBondContact O-N 2.87Å; F1099-V1114 HydrophobicContact CD2-CB 3.51Å; F1099-V1114 HydrophobicContact CD2-CG1 3.97Å; F1099-V1114 HydrophobicContact CD2-CG2 3.48Å; F1099-V1114 VanDerWaalsContact CD2-CG2 3.48Å; F1099-V1114 HydrophobicContact CE2-CB 3.53Å; F1099-V1114 HydrophobicContact CE2-CG1 3.62Å; F1099-V1114 HydrophobicContact CE2-CG2 4.04Å; F1099-V1114 HydrophobicContact CG-CG2 4.31Å; F1099-V1114 HydrophobicContact CZ-CG1 4.42Å; F1099-I1116 HydrophobicContact CE2-CD1 4.1Å; F1099-I1116 HydrophobicContact CZ-CD1 3.97Å; F1099-V1125 HydrophobicContact CE1-CG1 3.76Å; F1099-V1125 HydrophobicContact CE2-CG1 4.45Å; F1099-V1125 HydrophobicContact CZ-CG1 3.36Å; F1099-V1129 HydrophobicContact CD1-CG2 3.67Å; F1099-V1129 HydrophobicContact CD2-CG2 4.31Å; F1099-V1129 HydrophobicContact CE1-CG2 3.67Å; F1099-V1129 HydrophobicContact CE2-CG2 4.32Å; F1099-V1129 HydrophobicContact CG-CG2 4.01Å; F1099-V1129 HydrophobicContact CZ-CG2 4.02Å; F1099-L1146 HydrophobicContact CD1-CD2 4.04Å; F1099-L1146 HydrophobicContact CE1-CD1 4.29Å; F1099-L1146 HydrophobicContact CE1-CD2 3.75Å; F1099-L1199 CarbonylContact C-O 3.56Å; F1099-L1199 WeakPolarHBondContact CA-O 3.29Å; F1099-L1199 HydrophobicContact CD1-CB 4.14Å; F1099-L1199 HydrophobicContact CE1-CB 4.06Å; F1099-L1199 HydrophobicContact CE1-CD1 3.83Å; F1099-L1199 HydrophobicContact CZ-CB 4.45Å; F1099-L1199 HydrophobicContact CZ-CD1 3.72Å; F1099-Y1201 HydrophobicContact CB-CD1 3.64Å; F1099-Y1201 HydrophobicContact CB-CE1 3.95Å; F1099-Y1201 HydrophobicContact CB-CG 4.43Å; F1099-Y1201 HydrophobicContact CD1-CD1 4.48Å |
| 1100 | L | 86.3 | Confident | 77 | Confident | 22 Ų | 22 | 49.3 Ų | 49.3 | 12% | 0.115 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 131.5 | 179.3 | -58.7 | 174.5 | 0 | 0 | 0 | 109.5 | T1098 T1110 F1149 Y1162 K1198 L1199 V1200 Y1201 | T1098-L1100 HydrophobicContact CG2-CD2 3.91Å; T1098-L1100 HydrophobicContact CG2-CG 4.47Å; L1100-T1110 HydrophobicContact CD2-CG2 3.77Å; L1100-F1149 HydrophobicContact CD1-CE2 4.37Å; L1100-F1149 HydrophobicContact CD1-CZ 4.12Å; L1100-Y1162 HydrophobicContact CD1-CE2 4.27Å; L1100-K1198 HydrophobicContact CD1-CB 4.31Å; L1100-K1198 HydrophobicContact CD1-CD 3.99Å; L1100-K1198 HydrophobicContact CG-CD 4.47Å; L1100-L1199 PolarHBondContact N-O 2.81Å; L1100-V1200 HydrophobicContact CB-CG2 4.17Å; L1100-V1200 HydrophobicContact CD1-CG2 4.47Å; L1100-V1200 CarbonylContact O-C 3.28Å; L1100-V1200 WeakPolarHBondContact O-CA 3.16Å; L1100-Y1201 WeakPolarHBondContact O-CD1 3.34Å; L1100-Y1201 PolarHBondContact O-N 3.27Å |
| 1101 | N | 80.8 | Confident | 77.8 | Confident | 26 Ų | 26 | 43.9 Ų | 43.9 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | trans | -97.8 | 117.1 | 165.6 | 169.8 | 43 | 0 | 0 | 0 | 108.9 | D1103 S1106 L1108 Y1201 | N1101-D1103 PolarHBondContact ND2-O 2.99Å; N1101-D1103 WeakPolarHBondContact OD1-CB 3.39Å; N1101-D1103 PolarHBondContact OD1-N 3.32Å; N1101-S1106 PolarHBondContact ND2-OG 2.79Å; N1101-L1108 HydrophobicContact CB-CB 4.02Å; N1101-L1108 PolarHBondContact ND2-O 3.19Å; N1101-Y1201 HydrophobicContact CB-CD1 4.46Å; N1101-Y1201 HydrophobicContact CB-CE1 3.85Å | ||
| 1102 | P | 75.9 | Confident | 78.7 | Confident | 40 Ų | 40 | 48 Ų | 48 | 26% | 0.26 | 30% | 0.301 | S | S | . | . | trans | -84.8 | -17.1 | 177.5 | 33.9 | -31.4 | 0 | 0 | 0 | 112.5 | V1104 V1200 Y1201 | P1102-V1104 PolarHBondContact O-N 2.75Å; P1102-V1200 HydrophobicContact CG-CG1 3.81Å; P1102-Y1201 WeakPolarHBondContact CD-O 3.48Å | ||
| 1103 | D | 73.7 | Confident | 79.6 | Confident | 42 Ų | 42 | 47.2 Ų | 47.2 | 23% | 0.225 | 30% | 0.298 | C | S | . | . | trans | -78.7 | 108.3 | -171.6 | -57.8 | -33.3 | 0 | 0 | 0 | 111.1 | N1101 G1105 S1106 T1202 T1204 | N1101-D1103 PolarHBondContact ND2-O 2.99Å; N1101-D1103 WeakPolarHBondContact OD1-CB 3.39Å; N1101-D1103 PolarHBondContact OD1-N 3.32Å; D1103-G1105 PolarHBondContact O-N 2.85Å; D1103-S1106 PolarHBondContact O-N 3.3Å; D1103-S1106 PolarHBondContact O-OG 3.11Å; D1103-T1202 WeakPolarHBondContact OD2-CB 3.39Å; D1103-T1202 PolarHBondContact OD2-OG1 2.81Å; D1103-T1204 PolarHBondContact OD2-OG1 3.36Å | ||
| 1104 | V | 70.7 | Confident | 80.2 | Confident | 147 Ų | 147 | 44.5 Ų | 44.5 | 89% | 0.891 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 125.8 | 173.8 | -176.3 | 0 | 0 | 0 | 0 | 109 | P1102 | P1102-V1104 PolarHBondContact O-N 2.75Š|
| 1105 | G | 69.8 | Low | 80.5 | Confident | 80 Ų | 80 | 45 Ų | 45 | 83% | 0.825 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | 3.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | D1103 G1107 | D1103-G1105 PolarHBondContact O-N 2.85Å; G1105-G1107 PolarHBondContact O-N 2.88Å |
| 1106 | S | 71.9 | Confident | 80.6 | Confident | 36 Ų | 36 | 44.8 Ų | 44.8 | 25% | 0.252 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -69.8 | -12.6 | 175.5 | 67.5 | 0 | 0 | 0 | 0 | 113.9 | N1101 D1103 L1108 | N1101-S1106 PolarHBondContact ND2-OG 2.79Å; D1103-S1106 PolarHBondContact O-N 3.3Å; D1103-S1106 PolarHBondContact O-OG 3.11Å; S1106-L1108 PolarHBondContact O-N 3.41Å; S1106-L1108 WeakPolarHBondContact OG-CB 3.42Å; S1106-L1108 PolarHBondContact OG-N 2.92Å |
| 1107 | G | 70.4 | Confident | 80.3 | Confident | 33 Ų | 33 | 42.3 Ų | 42.3 | 34% | 0.34 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 77.6 | -7.3 | -172 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1105 F1109 L1136 | G1105-G1107 PolarHBondContact O-N 2.88Å; G1107-F1109 WeakPolarHBondContact O-CE2 3.36Å; G1107-L1136 WeakPolarHBondContact O-CD1 3.39Å |
| 1108 | L | 77.1 | Confident | 80 | Confident | 14 Ų | 14 | 44.9 Ų | 44.9 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | trans | -79.5 | 140.5 | 176.9 | -60.4 | 168.8 | 0 | 0 | 0 | 110.2 | N1101 S1106 L1136 L1141 Y1201 T1203 | N1101-L1108 HydrophobicContact CB-CB 4.02Å; N1101-L1108 PolarHBondContact ND2-O 3.19Å; S1106-L1108 PolarHBondContact O-N 3.41Å; S1106-L1108 WeakPolarHBondContact OG-CB 3.42Å; S1106-L1108 PolarHBondContact OG-N 2.92Å; L1108-L1136 HydrophobicContact CD2-CD1 3.47Å; L1108-L1136 VanDerWaalsContact CD2-CD1 3.47Å; L1108-L1136 HydrophobicContact CG-CD1 4.11Å; L1108-L1141 HydrophobicContact CD2-CD2 3.62Å; L1108-Y1201 HydrophobicContact CB-CE2 4.32Å; L1108-Y1201 HydrophobicContact CD1-CE2 4.04Å; L1108-Y1201 HydrophobicContact CD2-CE2 4.18Å; L1108-Y1201 HydrophobicContact CG-CE2 4.42Å; L1108-T1203 HydrophobicContact CD1-CG2 3.74Å | ||
| 1109 | F | 81.5 | Confident | 79.5 | Confident | 141 Ų | 141 | 45 Ų | 45 | 62% | 0.618 | 29% | 0.285 | S | S | * | . | trans | -108.8 | 153 | -179.1 | -63.5 | -77.3 | 0 | 0 | 0 | 111 | G1107 L1111 Y1201 | G1107-F1109 WeakPolarHBondContact O-CE2 3.36Å; F1109-L1111 PolarHBondContact O-N 3.25Å; F1109-L1111 VanDerWaalsContact O-N 3.13Å; F1109-Y1201 PolarHBondContact O-OH 3.48Å | ||
| 1110 | T | 85 | Confident | 79.2 | Confident | 62 Ų | 62 | 45 Ų | 45 | 38% | 0.38 | 29% | 0.285 | S | S | . | . | trans | -59.3 | 122.3 | 168.4 | -69.6 | 0 | 0 | 0 | 0 | 109.8 | T1098 F1099 L1100 | T1098-T1110 HydrophobicContact CG2-CG2 3.66Å; F1099-T1110 CarbonylContact O-C 3.58Å; F1099-T1110 WeakPolarHBondContact O-CA 3.17Å; L1100-T1110 HydrophobicContact CD2-CG2 3.77Å | ||
| 1111 | L | 85.3 | Confident | 79.1 | Confident | 27 Ų | 27 | 45.8 Ų | 45.8 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 103.8 | 175.9 | -52.7 | 176.9 | 0 | 0 | 0 | 108.6 | T1098 F1099 F1109 V1114 V1129 L1132 Y1201 | T1098-L1111 CarbonylContact C-O 3.56Å; T1098-L1111 WeakPolarHBondContact CA-O 3.32Å; F1099-L1111 HydrophobicContact CB-CB 4.2Å; F1099-L1111 PolarHBondContact N-O 3.42Å; F1099-L1111 PolarHBondContact O-N 2.87Å; F1109-L1111 PolarHBondContact O-N 3.25Å; F1109-L1111 VanDerWaalsContact O-N 3.13Å; L1111-V1114 HydrophobicContact CB-CG2 3.56Å; L1111-V1114 HydrophobicContact CD1-CG2 4.24Å; L1111-V1129 HydrophobicContact CD1-CB 4.4Å; L1111-V1129 HydrophobicContact CD1-CG1 3.83Å; L1111-V1129 HydrophobicContact CD1-CG2 4.48Å; L1111-L1132 HydrophobicContact CD1-CB 4.08Å; L1111-L1132 HydrophobicContact CD2-CB 4.5Å; L1111-Y1201 HydrophobicContact CG-CE1 4.47Å |
| 1112 | N | 84.1 | Confident | 79.3 | Confident | 125 Ų | 125 | 46 Ų | 46 | 67% | 0.668 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 136 | 174.3 | -65.5 | -48.4 | 0 | 0 | 0 | 110.1 | T1098 | T1098-N1112 WeakPolarHBondContact CG2-OD1 3.34Å |
| 1113 | G | 80.4 | Confident | 79.5 | Confident | 19 Ų | 19 | 48 Ų | 48 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.7 | 29.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1096 T1115 | S1096-G1113 WeakPolarHBondContact OG-CA 3.26Å; S1096-G1113 PolarHBondContact OG-O 3.13Å; G1113-T1115 PolarHBondContact O-N 3.13Å |
| 1114 | V | 83.2 | Confident | 79.7 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.024 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 115 | 175.4 | -178 | 0 | 0 | 0 | 0 | 108.6 | I1097 F1099 L1111 I1116 V1129 L1132 | I1097-V1114 PolarHBondContact N-O 2.86Å; I1097-V1114 WeakPolarHBondContact O-CB 3.49Å; I1097-V1114 PolarHBondContact O-N 3.05Å; F1099-V1114 HydrophobicContact CD2-CB 3.51Å; F1099-V1114 HydrophobicContact CD2-CG1 3.97Å; F1099-V1114 HydrophobicContact CD2-CG2 3.48Å; F1099-V1114 VanDerWaalsContact CD2-CG2 3.48Å; F1099-V1114 HydrophobicContact CE2-CB 3.53Å; F1099-V1114 HydrophobicContact CE2-CG1 3.62Å; F1099-V1114 HydrophobicContact CE2-CG2 4.04Å; F1099-V1114 HydrophobicContact CG-CG2 4.31Å; F1099-V1114 HydrophobicContact CZ-CG1 4.42Å; L1111-V1114 HydrophobicContact CB-CG2 3.56Å; L1111-V1114 HydrophobicContact CD1-CG2 4.24Å; V1114-I1116 PolarHBondContact O-N 3.22Å; V1114-V1129 HydrophobicContact CG1-CG2 4.4Å; V1114-L1132 HydrophobicContact CB-CD1 4.46Å; V1114-L1132 HydrophobicContact CG1-CD1 4.07Å; V1114-L1132 HydrophobicContact CG2-CD1 3.91Å |
| 1115 | T | 81.2 | Confident | 80.3 | Confident | 30 Ų | 30 | 39.8 Ų | 39.8 | 18% | 0.184 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 127.9 | 177.6 | -50.2 | 0 | 0 | 0 | 0 | 110 | I953 T1094 A1095 G1113 F1117 R1128 | I953-T1115 HydrophobicContact CG2-CG2 4.39Å; T1094-T1115 HydrophobicContact CG2-CG2 3.72Å; A1095-T1115 CarbonylContact O-C 3.56Å; G1113-T1115 PolarHBondContact O-N 3.13Å; T1115-F1117 HydrophobicContact CG2-CD2 4.34Å; T1115-F1117 HydrophobicContact CG2-CE1 4.27Å; T1115-F1117 HydrophobicContact CG2-CE2 3.93Å; T1115-F1117 HydrophobicContact CG2-CZ 3.89Å; T1115-R1128 WeakPolarHBondContact O-CD 3.37Å; T1115-R1128 PolarHBondContact O-NH1 2.76Å |
| 1116 | I | 84.4 | Confident | 81 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 129 | 167.1 | -55.5 | -59 | 0 | 0 | 0 | 107.2 | T1094 A1095 I1097 F1099 V1114 D1120 V1125 F1176 V1178 V1184 | T1094-I1116 CarbonylContact C-O 3.52Å; T1094-I1116 WeakPolarHBondContact CA-O 3.48Å; T1094-I1116 WeakPolarHBondContact CB-O 3.33Å; A1095-I1116 PolarHBondContact N-O 3.02Å; A1095-I1116 PolarHBondContact O-N 3.3Å; I1097-I1116 HydrophobicContact CB-CG1 3.92Å; I1097-I1116 HydrophobicContact CG1-CB 4.41Å; I1097-I1116 HydrophobicContact CG1-CG1 3.52Å; F1099-I1116 HydrophobicContact CE2-CD1 4.1Å; F1099-I1116 HydrophobicContact CZ-CD1 3.97Å; V1114-I1116 PolarHBondContact O-N 3.22Å; I1116-D1120 HydrophobicContact CG2-CB 4.43Å; I1116-V1125 HydrophobicContact CD1-CB 4.3Å; I1116-V1125 HydrophobicContact CD1-CG1 3.64Å; I1116-V1125 HydrophobicContact CD1-CG2 3.68Å; I1116-F1176 HydrophobicContact CG2-CB 3.6Å; I1116-F1176 HydrophobicContact CG2-CD1 3.97Å; I1116-F1176 HydrophobicContact CG2-CG 3.86Å; I1116-V1178 HydrophobicContact CG2-CG2 4.07Å; I1116-V1184 HydrophobicContact CG2-CG1 4.3Å |
| 1117 | F | 78.8 | Confident | 81.1 | Confident | 10 Ų | 10 | 37.9 Ų | 37.9 | 4% | 0.044 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 148.5 | 177.3 | -61.4 | -96 | 0 | 0 | 0 | 109.6 | I953 P1091 T1094 T1115 G1119 D1120 R1128 | I953-F1117 HydrophobicContact CG2-CE1 3.79Å; I953-F1117 HydrophobicContact CG2-CZ 4.17Å; P1091-F1117 HydrophobicContact CB-CE1 4.48Å; T1094-F1117 HydrophobicContact CG2-CD1 3.35Å; T1094-F1117 HydrophobicContact CG2-CE1 3.65Å; T1094-F1117 HydrophobicContact CG2-CG 4.03Å; T1115-F1117 HydrophobicContact CG2-CD2 4.34Å; T1115-F1117 HydrophobicContact CG2-CE1 4.27Å; T1115-F1117 HydrophobicContact CG2-CE2 3.93Å; T1115-F1117 HydrophobicContact CG2-CZ 3.89Å; F1117-G1119 PolarHBondContact O-N 2.9Å; F1117-D1120 PolarHBondContact N-OD2 2.88Å; F1117-D1120 WeakPolarHBondContact O-CB 3.29Å; F1117-D1120 PolarHBondContact O-N 2.82Å; F1117-D1120 VanDerWaalsContact O-N 3.13Å; F1117-R1128 VanDerWaalsContact CD2-CZ 3.48Å; F1117-R1128 VanDerWaalsContact CD2-NH2 3.31Å |
| 1118 | D | 81.3 | Confident | 81.6 | Confident | 58 Ų | 58 | 38.9 Ų | 38.9 | 31% | 0.31 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 129.3 | 169.9 | -173 | 45 | 0 | 0 | 0 | 110.8 | T1093 V1177 V1178 | T1093-D1118 PolarHBondContact O-N 3.28Å; D1118-V1177 VanDerWaalsContact OD1-CA 3.31Å; D1118-V1177 WeakPolarHBondContact OD1-CA 3.43Å; D1118-V1178 HydrophobicContact CB-CB 4.01Å; D1118-V1178 PolarHBondContact OD1-N 3.28Å |
| 1119 | G | 78.2 | Confident | 81.8 | Confident | 29 Ų | 29 | 38.2 Ų | 38.2 | 30% | 0.299 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | -2.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | F1117 T1121 F1176 | F1117-G1119 PolarHBondContact O-N 2.9Å; G1119-T1121 PolarHBondContact O-N 3.09Å; G1119-F1176 WeakPolarHBondContact CA-O 3.36Å; G1119-F1176 PolarHBondContact N-O 2.88Å |
| 1120 | D | 82.9 | Confident | 81.5 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | trans | -51.7 | 135.2 | 176.7 | -89.4 | -22.3 | 0 | 0 | 0 | 110.8 | I1116 F1117 D1124 V1125 R1128 R1175 F1176 | I1116-D1120 HydrophobicContact CG2-CB 4.43Å; F1117-D1120 PolarHBondContact N-OD2 2.88Å; F1117-D1120 WeakPolarHBondContact O-CB 3.29Å; F1117-D1120 PolarHBondContact O-N 2.82Å; F1117-D1120 VanDerWaalsContact O-N 3.13Å; D1120-D1124 HydrophobicContact CB-CB 4.27Å; D1120-V1125 HydrophobicContact CB-CG2 3.85Å; D1120-R1128 IonicContact OD1-CZ 3.95Å; D1120-R1128 IonicContact OD1-NH1 2.69Å; D1120-R1128 IonicContact OD1-NH2 2.75Å; D1120-R1128 PolarHBondContact OD1-NH2 3.23Å; D1120-R1128 IonicContact OD2-CZ 3.41Å; D1120-R1128 IonicContact OD2-NH1 3.24Å; D1120-R1128 PolarHBondContact OD2-NH1 3.26Å; D1120-R1128 IonicContact OD2-NH2 2.93Å; D1120-R1128 PolarHBondContact OD2-NH2 2.86Å; D1120-R1128 VanDerWaalsContact OD2-NH2 3.09Å; D1120-R1175 CarbonylContact O-C 3.56Å; D1120-R1175 WeakPolarHBondContact O-CA 3.29Å; D1120-F1176 HydrophobicContact CB-CB 4.13Å; D1120-F1176 HydrophobicContact CB-CD2 4.2Å; D1120-F1176 WeakPolarHBondContact O-CD2 3.47Å; D1120-F1176 PolarHBondContact O-N 3.03Å | ||
| 1121 | T | 84 | Confident | 80.8 | Confident | 38 Ų | 38 | 33.4 Ų | 33.4 | 23% | 0.233 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -82.6 | 163.8 | 169.1 | 65.8 | 0 | 0 | 0 | 0 | 110.7 | G1119 T1123 D1124 V1125 R1175 | G1119-T1121 PolarHBondContact O-N 3.09Å; T1121-T1123 PolarHBondContact O-N 2.69Å; T1121-T1123 PolarHBondContact OG1-N 3.24Å; T1121-D1124 WeakPolarHBondContact CB-OD2 3.26Å; T1121-D1124 PolarHBondContact N-OD2 3.4Å; T1121-D1124 PolarHBondContact O-N 3.45Å; T1121-D1124 VanDerWaalsContact O-N 3.13Å; T1121-D1124 VanDerWaalsContact OG1-CG 3.22Å; T1121-D1124 PolarHBondContact OG1-N 3.4Å; T1121-D1124 PolarHBondContact OG1-OD2 2.74Å; T1121-V1125 PolarHBondContact O-N 2.89Å; T1121-R1175 HydrophobicContact CG2-CG 4.48Å |
| 1122 | Y | 85.5 | Confident | 80.4 | Confident | 29 Ų | 29 | 36.8 Ų | 36.8 | 11% | 0.114 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -45 | -46.8 | 166.6 | 178.6 | -88.8 | 0 | 0 | 0 | 112.2 | D1124 V1125 V1126 I1144 T1145 L1146 V1170 S1172 A1174 | Y1122-D1124 PolarHBondContact O-N 2.67Å; Y1122-V1125 PolarHBondContact O-N 3.37Å; Y1122-V1126 HydrophobicContact CD1-CG2 3.99Å; Y1122-V1126 HydrophobicContact CE1-CB 4.49Å; Y1122-V1126 HydrophobicContact CE1-CG2 3.5Å; Y1122-V1126 HydrophobicContact CE2-CG2 4.33Å; Y1122-V1126 WeakPolarHBondContact O-CG2 3.41Å; Y1122-V1126 PolarHBondContact O-N 2.88Å; Y1122-I1144 PolarHBondContact OH-O 2.88Å; Y1122-T1145 WeakPolarHBondContact OH-CA 3.24Å; Y1122-L1146 HydrophobicContact CD2-CD1 4.13Å; Y1122-L1146 HydrophobicContact CD2-CG 4.48Å; Y1122-L1146 HydrophobicContact CE2-CB 3.74Å; Y1122-L1146 HydrophobicContact CE2-CD1 3.96Å; Y1122-L1146 HydrophobicContact CE2-CG 3.82Å; Y1122-L1146 PolarHBondContact OH-N 2.59Å; Y1122-L1146 VanDerWaalsContact OH-N 3.14Å; Y1122-V1170 HydrophobicContact CD2-CB 4.12Å; Y1122-V1170 HydrophobicContact CD2-CG1 3.8Å; Y1122-V1170 HydrophobicContact CE2-CB 4.12Å; Y1122-V1170 HydrophobicContact CE2-CG1 4.32Å; Y1122-V1170 VanDerWaalsContact CE2-O 3.26Å; Y1122-V1170 WeakPolarHBondContact CE2-O 3.5Å; Y1122-S1172 WeakPolarHBondContact CB-O 3.39Å; Y1122-A1174 PolarHBondContact N-O 2.9Å; Y1122-A1174 VanDerWaalsContact N-O 3.17Å |
| 1123 | T | 80.1 | Confident | 79.9 | Confident | 84 Ų | 84 | 31.2 Ų | 31.2 | 52% | 0.515 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -66 | -38.2 | -177.6 | -42.9 | 0 | 0 | 0 | 0 | 112.5 | T1121 S1127 | T1121-T1123 PolarHBondContact O-N 2.69Å; T1121-T1123 PolarHBondContact OG1-N 3.24Å; T1123-S1127 VanDerWaalsContact O-CB 3.29Å; T1123-S1127 WeakPolarHBondContact O-CB 3.14Å; T1123-S1127 PolarHBondContact O-N 2.97Å; T1123-S1127 PolarHBondContact O-OG 3.33Å |
| 1124 | D | 77.3 | Confident | 78.8 | Confident | 16 Ų | 16 | 40.2 Ų | 40.2 | 9% | 0.086 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.5 | -46.9 | 177.1 | -67.3 | -52.1 | 0 | 0 | 0 | 111.2 | D1120 T1121 Y1122 S1127 R1128 | D1120-D1124 HydrophobicContact CB-CB 4.27Å; T1121-D1124 WeakPolarHBondContact CB-OD2 3.26Å; T1121-D1124 PolarHBondContact N-OD2 3.4Å; T1121-D1124 PolarHBondContact O-N 3.45Å; T1121-D1124 VanDerWaalsContact O-N 3.13Å; T1121-D1124 VanDerWaalsContact OG1-CG 3.22Å; T1121-D1124 PolarHBondContact OG1-N 3.4Å; T1121-D1124 PolarHBondContact OG1-OD2 2.74Å; Y1122-D1124 PolarHBondContact O-N 2.67Å; D1124-S1127 PolarHBondContact O-N 3.22Å; D1124-R1128 WeakPolarHBondContact O-CB 3.37Å; D1124-R1128 PolarHBondContact O-N 3Å |
| 1125 | V | 84.4 | Confident | 77.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.1 | -46.2 | -180 | 177.9 | 0 | 0 | 0 | 0 | 111 | F1099 I1116 D1120 T1121 Y1122 S1127 R1128 V1129 L1146 F1176 | F1099-V1125 HydrophobicContact CE1-CG1 3.76Å; F1099-V1125 HydrophobicContact CE2-CG1 4.45Å; F1099-V1125 HydrophobicContact CZ-CG1 3.36Å; I1116-V1125 HydrophobicContact CD1-CB 4.3Å; I1116-V1125 HydrophobicContact CD1-CG1 3.64Å; I1116-V1125 HydrophobicContact CD1-CG2 3.68Å; D1120-V1125 HydrophobicContact CB-CG2 3.85Å; T1121-V1125 PolarHBondContact O-N 2.89Å; Y1122-V1125 PolarHBondContact O-N 3.37Å; V1125-S1127 VanDerWaalsContact C-N 3.34Å; V1125-S1127 PolarHBondContact O-N 3.25Å; V1125-R1128 PolarHBondContact O-N 3.39Å; V1125-V1129 WeakPolarHBondContact O-CG2 3.42Å; V1125-V1129 PolarHBondContact O-N 3.3Å; V1125-L1146 HydrophobicContact CB-CD1 4.24Å; V1125-L1146 HydrophobicContact CG1-CD1 3.8Å; V1125-F1176 HydrophobicContact CB-CE2 3.92Å; V1125-F1176 HydrophobicContact CB-CZ 4.28Å; V1125-F1176 HydrophobicContact CG1-CE2 4.4Å; V1125-F1176 HydrophobicContact CG1-CZ 4.26Å; V1125-F1176 HydrophobicContact CG2-CD2 3.5Å; V1125-F1176 HydrophobicContact CG2-CE2 3.36Å; V1125-F1176 HydrophobicContact CG2-CG 4.21Å; V1125-F1176 HydrophobicContact CG2-CZ 3.94Å |
| 1126 | V | 83.9 | Confident | 75.7 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 175.5 | 167 | 0 | 0 | 0 | 0 | 110.9 | Y1122 R1128 V1129 I1130 I1144 L1146 | Y1122-V1126 HydrophobicContact CD1-CG2 3.99Å; Y1122-V1126 HydrophobicContact CE1-CB 4.49Å; Y1122-V1126 HydrophobicContact CE1-CG2 3.5Å; Y1122-V1126 HydrophobicContact CE2-CG2 4.33Å; Y1122-V1126 WeakPolarHBondContact O-CG2 3.41Å; Y1122-V1126 PolarHBondContact O-N 2.88Å; V1126-R1128 VanDerWaalsContact C-N 3.29Å; V1126-R1128 PolarHBondContact O-N 2.91Å; V1126-V1129 PolarHBondContact O-N 3.13Å; V1126-I1130 HydrophobicContact CG1-CD1 3.68Å; V1126-I1130 HydrophobicContact CG1-CG1 4.25Å; V1126-I1130 VanDerWaalsContact O-CG1 3.26Å; V1126-I1130 WeakPolarHBondContact O-CG1 3.33Å; V1126-I1130 PolarHBondContact O-N 2.65Å; V1126-I1144 HydrophobicContact CG1-CB 4.07Å; V1126-I1144 HydrophobicContact CG2-CG2 4.44Å; V1126-L1146 HydrophobicContact CG2-CD1 3.73Å; V1126-L1146 HydrophobicContact CG2-CD2 4.23Å; V1126-L1146 HydrophobicContact CG2-CG 3.73Å |
| 1127 | S | 74.7 | Confident | 73.9 | Confident | 61 Ų | 61 | 50.1 Ų | 50.1 | 43% | 0.427 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 179.2 | -59.3 | 0 | 0 | 0 | 0 | 112 | T1123 D1124 V1125 I1130 S1131 | T1123-S1127 VanDerWaalsContact O-CB 3.29Å; T1123-S1127 WeakPolarHBondContact O-CB 3.14Å; T1123-S1127 PolarHBondContact O-N 2.97Å; T1123-S1127 PolarHBondContact O-OG 3.33Å; D1124-S1127 PolarHBondContact O-N 3.22Å; V1125-S1127 VanDerWaalsContact C-N 3.34Å; V1125-S1127 PolarHBondContact O-N 3.25Å; S1127-I1130 PolarHBondContact O-N 2.83Å; S1127-S1131 WeakPolarHBondContact O-CB 3.33Å; S1127-S1131 PolarHBondContact O-N 3.13Å |
| 1128 | R | 80 | Confident | 72.3 | Confident | 54 Ų | 54 | 55.8 Ų | 55.8 | 20% | 0.204 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 175.7 | -165.4 | 177.6 | -57.7 | 126.2 | 9.8 | 112.1 | T1115 F1117 D1120 D1124 V1125 V1126 S1131 L1132 | T1115-R1128 WeakPolarHBondContact O-CD 3.37Å; T1115-R1128 PolarHBondContact O-NH1 2.76Å; F1117-R1128 VanDerWaalsContact CD2-CZ 3.48Å; F1117-R1128 VanDerWaalsContact CD2-NH2 3.31Å; D1120-R1128 IonicContact OD1-CZ 3.95Å; D1120-R1128 IonicContact OD1-NH1 2.69Å; D1120-R1128 IonicContact OD1-NH2 2.75Å; D1120-R1128 PolarHBondContact OD1-NH2 3.23Å; D1120-R1128 IonicContact OD2-CZ 3.41Å; D1120-R1128 IonicContact OD2-NH1 3.24Å; D1120-R1128 PolarHBondContact OD2-NH1 3.26Å; D1120-R1128 IonicContact OD2-NH2 2.93Å; D1120-R1128 PolarHBondContact OD2-NH2 2.86Å; D1120-R1128 VanDerWaalsContact OD2-NH2 3.09Å; D1124-R1128 WeakPolarHBondContact O-CB 3.37Å; D1124-R1128 PolarHBondContact O-N 3Å; V1125-R1128 PolarHBondContact O-N 3.39Å; V1126-R1128 VanDerWaalsContact C-N 3.29Å; V1126-R1128 PolarHBondContact O-N 2.91Å; R1128-S1131 PolarHBondContact O-N 2.89Å; R1128-L1132 HydrophobicContact CG-CD1 4.48Å; R1128-L1132 WeakPolarHBondContact O-CG 3.45Å; R1128-L1132 PolarHBondContact O-N 3.17Å |
| 1129 | V | 82.1 | Confident | 70.8 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 174.8 | 168.1 | 0 | 0 | 0 | 0 | 110.8 | F1099 L1111 V1114 V1125 V1126 S1131 L1132 C1133 I1144 Y1201 | F1099-V1129 HydrophobicContact CD1-CG2 3.67Å; F1099-V1129 HydrophobicContact CD2-CG2 4.31Å; F1099-V1129 HydrophobicContact CE1-CG2 3.67Å; F1099-V1129 HydrophobicContact CE2-CG2 4.32Å; F1099-V1129 HydrophobicContact CG-CG2 4.01Å; F1099-V1129 HydrophobicContact CZ-CG2 4.02Å; L1111-V1129 HydrophobicContact CD1-CB 4.4Å; L1111-V1129 HydrophobicContact CD1-CG1 3.83Å; L1111-V1129 HydrophobicContact CD1-CG2 4.48Å; V1114-V1129 HydrophobicContact CG1-CG2 4.4Å; V1125-V1129 WeakPolarHBondContact O-CG2 3.42Å; V1125-V1129 PolarHBondContact O-N 3.3Å; V1126-V1129 PolarHBondContact O-N 3.13Å; V1129-S1131 VanDerWaalsContact C-N 3.31Å; V1129-S1131 PolarHBondContact O-N 3.26Å; V1129-L1132 PolarHBondContact O-N 3.09Å; V1129-L1132 VanDerWaalsContact O-N 3.14Å; V1129-C1133 PolarHBondContact O-N 3.21Å; V1129-C1133 PolarHBondContact O-SG 3.37Å; V1129-I1144 HydrophobicContact CG1-CD1 3.77Å; V1129-Y1201 HydrophobicContact CG1-CD2 3.76Å; V1129-Y1201 HydrophobicContact CG1-CE2 3.86Å; V1129-Y1201 HydrophobicContact CG1-CG 4.29Å |
| 1130 | I | 74.6 | Confident | 69.5 | Low | 42 Ų | 42 | 62 Ų | 62 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.5 | -45.8 | 175.7 | -67.2 | 171.4 | 0 | 0 | 0 | 110.6 | V1126 S1127 L1132 C1133 L1141 I1144 | V1126-I1130 HydrophobicContact CG1-CD1 3.68Å; V1126-I1130 HydrophobicContact CG1-CG1 4.25Å; V1126-I1130 VanDerWaalsContact O-CG1 3.26Å; V1126-I1130 WeakPolarHBondContact O-CG1 3.33Å; V1126-I1130 PolarHBondContact O-N 2.65Å; S1127-I1130 PolarHBondContact O-N 2.83Å; I1130-L1132 VanDerWaalsContact C-N 3.26Å; I1130-L1132 PolarHBondContact O-N 3.13Å; I1130-C1133 PolarHBondContact O-N 3.16Å; I1130-L1141 WeakPolarHBondContact CD1-O 3.43Å; I1130-L1141 HydrophobicContact CG1-CB 4.2Å; I1130-L1141 HydrophobicContact CG2-CB 4Å; I1130-L1141 HydrophobicContact CG2-CD1 4.26Å; I1130-I1144 HydrophobicContact CD1-CD1 4.37Å; I1130-I1144 HydrophobicContact CG1-CD1 3.45Å; I1130-I1144 VanDerWaalsContact CG1-CD1 3.45Å; I1130-I1144 HydrophobicContact CG1-CG1 4.2Å |
| 1131 | S | 71.2 | Confident | 68.1 | Low | 59 Ų | 59 | 62.1 Ų | 62.1 | 41% | 0.413 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63 | -30.1 | 178.9 | -174.1 | 0 | 0 | 0 | 0 | 113.3 | S1127 R1128 V1129 R1134 | S1127-S1131 WeakPolarHBondContact O-CB 3.33Å; S1127-S1131 PolarHBondContact O-N 3.13Å; R1128-S1131 PolarHBondContact O-N 2.89Å; V1129-S1131 VanDerWaalsContact C-N 3.31Å; V1129-S1131 PolarHBondContact O-N 3.26Å; S1131-R1134 WeakPolarHBondContact O-CD 3.41Å; S1131-R1134 VanDerWaalsContact O-CG 3.24Å; S1131-R1134 WeakPolarHBondContact O-CG 3.27Å; S1131-R1134 PolarHBondContact O-NE 2.9Å |
| 1132 | L | 76.3 | Confident | 66.8 | Low | 98 Ų | 98 | 65.5 Ų | 65.5 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -80.4 | -26.5 | 176.1 | -70.2 | 168.8 | 0 | 0 | 0 | 112.7 | L1111 V1114 R1128 V1129 I1130 R1134 | L1111-L1132 HydrophobicContact CD1-CB 4.08Å; L1111-L1132 HydrophobicContact CD2-CB 4.5Å; V1114-L1132 HydrophobicContact CB-CD1 4.46Å; V1114-L1132 HydrophobicContact CG1-CD1 4.07Å; V1114-L1132 HydrophobicContact CG2-CD1 3.91Å; R1128-L1132 HydrophobicContact CG-CD1 4.48Å; R1128-L1132 WeakPolarHBondContact O-CG 3.45Å; R1128-L1132 PolarHBondContact O-N 3.17Å; V1129-L1132 PolarHBondContact O-N 3.09Å; V1129-L1132 VanDerWaalsContact O-N 3.14Å; I1130-L1132 VanDerWaalsContact C-N 3.26Å; I1130-L1132 PolarHBondContact O-N 3.13Å; L1132-R1134 PolarHBondContact O-N 3.24Å; L1132-R1134 VanDerWaalsContact O-N 3.12Å |
| 1133 | C | 72.5 | Confident | 66.1 | Low | 9 Ų | 9 | 69.5 Ų | 69.5 | 6% | 0.061 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 17.9 | 177.9 | -70.8 | 0 | 0 | 0 | 0 | 114.8 | V1129 I1130 S1135 L1136 L1141 | V1129-C1133 PolarHBondContact O-N 3.21Å; V1129-C1133 PolarHBondContact O-SG 3.37Å; I1130-C1133 PolarHBondContact O-N 3.16Å; C1133-S1135 PolarHBondContact O-N 3.05Å; C1133-L1136 PolarHBondContact O-N 3.45Å; C1133-L1141 HydrophobicContact CB-CD1 3.88Å; C1133-L1141 HydrophobicContact CB-CD2 3.83Å |
| 1134 | R | 57.7 | Low | 66.1 | Low | 208 Ų | 208 | 65.9 Ų | 65.9 | 79% | 0.785 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.9 | -15.4 | -169.6 | -95.4 | 170.5 | -166.9 | -154.3 | 1.7 | 117.7 | S1131 L1132 L1136 | S1131-R1134 WeakPolarHBondContact O-CD 3.41Å; S1131-R1134 VanDerWaalsContact O-CG 3.24Å; S1131-R1134 WeakPolarHBondContact O-CG 3.27Å; S1131-R1134 PolarHBondContact O-NE 2.9Å; L1132-R1134 PolarHBondContact O-N 3.24Å; L1132-R1134 VanDerWaalsContact O-N 3.12Å; R1134-L1136 VanDerWaalsContact C-N 3.3Å; R1134-L1136 PolarHBondContact O-N 2.8Å |
| 1135 | S | 50.2 | Low | 66.5 | Low | 96 Ų | 96 | 66.5 Ų | 66.5 | 67% | 0.671 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -0.2 | 178.5 | 60.4 | 0 | 0 | 0 | 0 | 115.2 | C1133 | C1133-S1135 PolarHBondContact O-N 3.05Š|
| 1136 | L | 49.2 | Very low | 66.7 | Low | 45 Ų | 45 | 66.5 Ų | 66.5 | 24% | 0.236 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -118.1 | 143.9 | 179.2 | -74.3 | 158.8 | 0 | 0 | 0 | 111.5 | G1107 L1108 C1133 R1134 L1138 L1141 | G1107-L1136 WeakPolarHBondContact O-CD1 3.39Å; L1108-L1136 HydrophobicContact CD2-CD1 3.47Å; L1108-L1136 VanDerWaalsContact CD2-CD1 3.47Å; L1108-L1136 HydrophobicContact CG-CD1 4.11Å; C1133-L1136 PolarHBondContact O-N 3.45Å; R1134-L1136 VanDerWaalsContact C-N 3.3Å; R1134-L1136 PolarHBondContact O-N 2.8Å; L1136-L1138 PolarHBondContact O-N 2.92Å; L1136-L1138 VanDerWaalsContact O-N 3.1Å; L1136-L1141 HydrophobicContact CB-CD1 4.43Å |
| 1137 | T | 46.9 | Very low | 66.9 | Low | 101 Ų | 101 | 66.8 Ų | 66.8 | 62% | 0.62 | 35% | 0.351 | S | S | * | . | trans | -48.6 | 118.8 | 174.7 | 35.2 | 0 | 0 | 0 | 0 | 109.9 | N1139 N1140 | T1137-N1139 PolarHBondContact O-N 3.05Å; T1137-N1140 PolarHBondContact O-N 2.84Å; T1137-N1140 VanDerWaalsContact O-N 3.11Å | ||
| 1138 | L | 45.7 | Very low | 67.6 | Low | 129 Ų | 129 | 65.2 Ų | 65.2 | 68% | 0.675 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -46.5 | -26.6 | -174.8 | -129.3 | 99 | 0 | 0 | 0 | 113.7 | L1136 N1140 L1141 | L1136-L1138 PolarHBondContact O-N 2.92Å; L1136-L1138 VanDerWaalsContact O-N 3.1Å; L1138-N1140 PolarHBondContact O-N 2.88Å; L1138-L1141 PolarHBondContact O-N 2.93Å |
| 1139 | N | 50.4 | Low | 67.9 | Low | 109 Ų | 109 | 62.8 Ų | 62.8 | 58% | 0.583 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -60.6 | -37 | -177.9 | -68.2 | -13.6 | 0 | 0 | 0 | 114 | T1137 L1141 | T1137-N1139 PolarHBondContact O-N 3.05Å; N1139-L1141 VanDerWaalsContact C-N 3.33Å |
| 1140 | N | 49.9 | Very low | 68 | Low | 108 Ų | 108 | 66 Ų | 66 | 58% | 0.578 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -78.9 | -18.8 | -179.9 | -78.2 | -2.8 | 0 | 0 | 0 | 112.9 | T1137 L1138 T1203 | T1137-N1140 PolarHBondContact O-N 2.84Å; T1137-N1140 VanDerWaalsContact O-N 3.11Å; L1138-N1140 PolarHBondContact O-N 2.88Å; N1140-T1203 VanDerWaalsContact O-CG2 3.24Å; N1140-T1203 WeakPolarHBondContact O-CG2 3.42Å |
| 1141 | L | 53.4 | Low | 68.5 | Low | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -86.9 | -5.5 | -172.7 | -70.8 | 165.9 | 0 | 0 | 0 | 113.8 | L1108 I1130 C1133 L1136 L1138 N1139 N1143 I1144 | L1108-L1141 HydrophobicContact CD2-CD2 3.62Å; I1130-L1141 WeakPolarHBondContact CD1-O 3.43Å; I1130-L1141 HydrophobicContact CG1-CB 4.2Å; I1130-L1141 HydrophobicContact CG2-CB 4Å; I1130-L1141 HydrophobicContact CG2-CD1 4.26Å; C1133-L1141 HydrophobicContact CB-CD1 3.88Å; C1133-L1141 HydrophobicContact CB-CD2 3.83Å; L1136-L1141 HydrophobicContact CB-CD1 4.43Å; L1138-L1141 PolarHBondContact O-N 2.93Å; N1139-L1141 VanDerWaalsContact C-N 3.33Å; L1141-N1143 PolarHBondContact O-N 3.24Å; L1141-I1144 HydrophobicContact CD2-CD1 3.93Å; L1141-I1144 HydrophobicContact CD2-CG1 4.45Å |
| 1142 | K | 57.4 | Low | 68.8 | Low | 109 Ų | 109 | 65.8 Ų | 65.8 | 47% | 0.474 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -65.3 | -19.9 | -178.1 | -72 | -172.6 | 179.3 | 177.9 | 0 | 113.8 | ||
| 1143 | N | 69.6 | Low | 68.8 | Low | 113 Ų | 113 | 66.1 Ų | 66.1 | 60% | 0.604 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -117.9 | 46.4 | -174.8 | -66.3 | -13.7 | 0 | 0 | 0 | 112.9 | L1141 T1145 | L1141-N1143 PolarHBondContact O-N 3.24Å; N1143-T1145 PolarHBondContact O-N 3.22Å |
| 1144 | I | 80.8 | Confident | 68.8 | Low | 8 Ų | 8 | 68.8 Ų | 68.8 | 4% | 0.041 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 123.1 | 172 | -65.4 | -175.9 | 0 | 0 | 0 | 109.8 | Y1122 V1126 V1129 I1130 L1141 L1146 Y1201 T1202 T1203 | Y1122-I1144 PolarHBondContact OH-O 2.88Å; V1126-I1144 HydrophobicContact CG1-CB 4.07Å; V1126-I1144 HydrophobicContact CG2-CG2 4.44Å; V1129-I1144 HydrophobicContact CG1-CD1 3.77Å; I1130-I1144 HydrophobicContact CD1-CD1 4.37Å; I1130-I1144 HydrophobicContact CG1-CD1 3.45Å; I1130-I1144 VanDerWaalsContact CG1-CD1 3.45Å; I1130-I1144 HydrophobicContact CG1-CG1 4.2Å; L1141-I1144 HydrophobicContact CD2-CD1 3.93Å; L1141-I1144 HydrophobicContact CD2-CG1 4.45Å; I1144-L1146 HydrophobicContact CG2-CD2 3.87Å; I1144-Y1201 HydrophobicContact CD1-CD2 4.12Å; I1144-Y1201 HydrophobicContact CD1-CE2 4.42Å; I1144-Y1201 HydrophobicContact CG2-CD2 4.05Å; I1144-T1202 WeakPolarHBondContact CA-O 3.42Å; I1144-T1203 HydrophobicContact CG1-CG2 4.15Å |
| 1145 | T | 85.6 | Confident | 69.3 | Low | 28 Ų | 28 | 59.1 Ų | 59.1 | 17% | 0.172 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128.7 | 168.8 | -54.3 | 0 | 0 | 0 | 0 | 109.4 | Y1122 N1143 Y1147 I1169 Y1201 T1202 | Y1122-T1145 WeakPolarHBondContact OH-CA 3.24Å; N1143-T1145 PolarHBondContact O-N 3.22Å; T1145-Y1147 HydrophobicContact CG2-CD2 4.11Å; T1145-Y1147 HydrophobicContact CG2-CE2 3.43Å; T1145-Y1147 VanDerWaalsContact CG2-CE2 3.43Å; T1145-I1169 HydrophobicContact CG2-CG1 4.37Å; T1145-I1169 HydrophobicContact CG2-CG2 4.14Å; T1145-Y1201 WeakPolarHBondContact O-CA 3.36Å; T1145-T1202 PolarHBondContact N-O 3.41Å; T1145-T1202 PolarHBondContact O-N 2.81Å |
| 1146 | L | 89.6 | Confident | 70.1 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 135.4 | 174.5 | -54.9 | -178.7 | 0 | 0 | 0 | 110.4 | F1099 Y1122 V1125 V1126 I1144 V1170 F1176 | F1099-L1146 HydrophobicContact CD1-CD2 4.04Å; F1099-L1146 HydrophobicContact CE1-CD1 4.29Å; F1099-L1146 HydrophobicContact CE1-CD2 3.75Å; Y1122-L1146 HydrophobicContact CD2-CD1 4.13Å; Y1122-L1146 HydrophobicContact CD2-CG 4.48Å; Y1122-L1146 HydrophobicContact CE2-CB 3.74Å; Y1122-L1146 HydrophobicContact CE2-CD1 3.96Å; Y1122-L1146 HydrophobicContact CE2-CG 3.82Å; Y1122-L1146 PolarHBondContact OH-N 2.59Å; Y1122-L1146 VanDerWaalsContact OH-N 3.14Å; V1125-L1146 HydrophobicContact CB-CD1 4.24Å; V1125-L1146 HydrophobicContact CG1-CD1 3.8Å; V1126-L1146 HydrophobicContact CG2-CD1 3.73Å; V1126-L1146 HydrophobicContact CG2-CD2 4.23Å; V1126-L1146 HydrophobicContact CG2-CG 3.73Å; I1144-L1146 HydrophobicContact CG2-CD2 3.87Å; L1146-V1170 HydrophobicContact CB-CB 4.03Å; L1146-V1170 HydrophobicContact CB-CG2 4.02Å; L1146-V1170 PolarHBondContact O-N 2.92Å; L1146-F1176 HydrophobicContact CD1-CZ 4.39Å |
| 1147 | Y | 88.3 | Confident | 71 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 8% | 0.082 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 141.9 | 175.4 | -65.6 | -101.9 | 0 | 0 | 0 | 109.4 | T1145 L1167 Q1168 I1169 L1199 V1200 T1202 S1206 | T1145-Y1147 HydrophobicContact CG2-CD2 4.11Å; T1145-Y1147 HydrophobicContact CG2-CE2 3.43Å; T1145-Y1147 VanDerWaalsContact CG2-CE2 3.43Å; Y1147-L1167 HydrophobicContact CD1-CB 3.98Å; Y1147-L1167 HydrophobicContact CG-CB 4.47Å; Y1147-Q1168 CarbonylContact C-O 3.56Å; Y1147-Q1168 WeakPolarHBondContact CA-O 3.45Å; Y1147-I1169 HydrophobicContact CD1-CG1 3.77Å; Y1147-I1169 HydrophobicContact CE1-CD1 4.14Å; Y1147-I1169 HydrophobicContact CE1-CG1 3.32Å; Y1147-L1199 WeakPolarHBondContact O-CD2 3.49Å; Y1147-V1200 HydrophobicContact CD2-CG1 4.5Å; Y1147-V1200 PolarHBondContact N-O 3.34Å; Y1147-V1200 PolarHBondContact O-N 2.82Å; Y1147-T1202 HydrophobicContact CD2-CG2 3.92Å; Y1147-T1202 HydrophobicContact CE2-CG2 3.37Å; Y1147-S1206 PolarHBondContact OH-OG 3.25Å |
| 1148 | R | 88.7 | Confident | 71.9 | Confident | 29 Ų | 29 | 62.5 Ų | 62.5 | 11% | 0.109 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 158.1 | 167.9 | 64.2 | 169.8 | 178.3 | 79.1 | -0.4 | 109.9 | L1167 Q1168 V1170 I1195 L1199 | R1148-L1167 CarbonylContact O-C 3.56Å; R1148-L1167 WeakPolarHBondContact O-CA 3.07Å; R1148-Q1168 HydrophobicContact CG-CB 4.28Å; R1148-Q1168 WeakPolarHBondContact CG-O 3.38Å; R1148-Q1168 PolarHBondContact N-O 3.01Å; R1148-Q1168 PolarHBondContact O-N 3.5Å; R1148-V1170 HydrophobicContact CB-CG2 4.17Å; R1148-V1170 HydrophobicContact CG-CG2 4.37Å; R1148-I1195 HydrophobicContact CB-CG2 4.24Å; R1148-L1199 HydrophobicContact CB-CD2 3.76Å |
| 1149 | F | 86.2 | Confident | 72 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.009 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 144.2 | 169.8 | -64.6 | -79.1 | 0 | 0 | 0 | 110.8 | L1100 D1151 H1156 Y1162 A1166 L1167 K1198 V1200 | L1100-F1149 HydrophobicContact CD1-CE2 4.37Å; L1100-F1149 HydrophobicContact CD1-CZ 4.12Å; F1149-D1151 VanDerWaalsContact C-N 3.28Å; F1149-D1151 WeakPolarHBondContact CB-O 3.32Å; F1149-H1156 HydrophobicContact CD2-CB 4.07Å; F1149-H1156 HydrophobicContact CE1-CB 4.25Å; F1149-H1156 HydrophobicContact CE2-CB 3.66Å; F1149-H1156 HydrophobicContact CZ-CB 3.75Å; F1149-Y1162 HydrophobicContact CD1-CD1 4.46Å; F1149-Y1162 AromaticContact CE1-CD1 3.5Å; F1149-Y1162 HydrophobicContact CE1-CD1 3.5Å; F1149-Y1162 HydrophobicContact CE1-CD2 4.36Å; F1149-Y1162 AromaticContact CE1-CE1 3.6Å; F1149-Y1162 HydrophobicContact CE1-CE1 3.6Å; F1149-Y1162 HydrophobicContact CE1-CE2 4.45Å; F1149-Y1162 AromaticContact CE1-CG 3.89Å; F1149-Y1162 HydrophobicContact CE1-CG 3.89Å; F1149-Y1162 HydrophobicContact CZ-CD1 4.21Å; F1149-Y1162 AromaticContact CZ-CE1 3.95Å; F1149-Y1162 HydrophobicContact CZ-CE1 3.95Å; F1149-Y1162 HydrophobicContact CZ-CE2 4.28Å; F1149-Y1162 HydrophobicContact CZ-CG 4.48Å; F1149-Y1162 AromaticContact CZ-CZ 3.98Å; F1149-A1166 WeakPolarHBondContact CA-O 3.48Å; F1149-L1167 HydrophobicContact CD1-CD2 3.7Å; F1149-L1167 HydrophobicContact CE1-CD2 3.64Å; F1149-L1167 HydrophobicContact CG-CD2 4.34Å; F1149-L1167 HydrophobicContact CZ-CD2 4.24Å; F1149-K1198 HydrophobicContact CE2-CB 4.14Å; F1149-V1200 HydrophobicContact CE1-CG2 4.31Å; F1149-V1200 HydrophobicContact CE2-CG2 4.04Å; F1149-V1200 HydrophobicContact CZ-CG2 3.62Å |
| 1150 | T | 84 | Confident | 72.1 | Confident | 69 Ų | 69 | 63.3 Ų | 63.3 | 42% | 0.423 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -63.9 | -37.6 | 170.9 | -4.9 | 0 | 0 | 0 | 0 | 111.1 | A1166 Q1168 | T1150-A1166 PolarHBondContact N-O 2.86Å; T1150-A1166 WeakPolarHBondContact OG1-CA 3.34Å; T1150-A1166 PolarHBondContact OG1-O 3.19Å; T1150-Q1168 HydrophobicContact CG2-CG 4.11Å |
| 1151 | D | 85.1 | Confident | 72 | Confident | 65 Ų | 65 | 62.8 Ų | 62.8 | 35% | 0.348 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -103.7 | 104.5 | 168.4 | 176.3 | -8.9 | 0 | 0 | 0 | 109.5 | F1149 T1153 C1154 G1155 | F1149-D1151 VanDerWaalsContact C-N 3.28Å; F1149-D1151 WeakPolarHBondContact CB-O 3.32Å; D1151-T1153 PolarHBondContact O-N 3.2Å; D1151-T1153 WeakPolarHBondContact OD1-CA 3.46Å; D1151-T1153 WeakPolarHBondContact OD1-CB 3.47Å; D1151-T1153 PolarHBondContact OD1-N 3.18Å; D1151-T1153 PolarHBondContact OD1-OG1 3.47Å; D1151-C1154 PolarHBondContact OD1-N 2.98Å; D1151-C1154 WeakPolarHBondContact OD2-CB 3.43Å; D1151-C1154 PolarHBondContact OD2-N 3.5Å; D1151-G1155 VanDerWaalsContact O-CA 3.23Å; D1151-G1155 WeakPolarHBondContact O-CA 3.4Å; D1151-G1155 PolarHBondContact O-N 2.85Å |
| 1152 | P | 77.5 | Confident | 72.3 | Confident | 31 Ų | 31 | 64.9 Ų | 64.9 | 20% | 0.201 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -19.9 | -177.6 | 25.6 | -32.4 | 0 | 0 | 0 | 113.8 | P1194 | P1152-P1194 WeakPolarHBondContact CB-O 3.2Å; P1152-P1194 HydrophobicContact CG-CB 4.2Å; P1152-P1194 HydrophobicContact CG-CG 4.12Å; P1152-P1194 WeakPolarHBondContact CG-O 3.46Å |
| 1153 | T | 76.5 | Confident | 72.3 | Confident | 104 Ų | 104 | 62.1 Ų | 62.1 | 64% | 0.638 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -53.3 | -179.8 | 26.9 | 0 | 0 | 0 | 0 | 112.6 | D1151 H1156 | D1151-T1153 PolarHBondContact O-N 3.2Å; D1151-T1153 WeakPolarHBondContact OD1-CA 3.46Å; D1151-T1153 WeakPolarHBondContact OD1-CB 3.47Å; D1151-T1153 PolarHBondContact OD1-N 3.18Å; D1151-T1153 PolarHBondContact OD1-OG1 3.47Å; T1153-H1156 PolarHBondContact O-CE1 3.4Å; T1153-H1156 PolarHBondContact O-ND1 2.91Å |
| 1154 | C | 73 | Confident | 72.1 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 45% | 0.446 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -8.7 | -173.5 | -56.2 | 0 | 0 | 0 | 0 | 114.2 | D1151 H1156 L1157 | D1151-C1154 PolarHBondContact OD1-N 2.98Å; D1151-C1154 WeakPolarHBondContact OD2-CB 3.43Å; D1151-C1154 PolarHBondContact OD2-N 3.5Å; C1154-H1156 PolarHBondContact O-N 2.85Å; C1154-L1157 HydrophobicContact CB-CD1 4.27Å; C1154-L1157 WeakPolarHBondContact O-CB 3.31Å; C1154-L1157 PolarHBondContact O-N 3.18Å |
| 1155 | G | 67.6 | Low | 71.6 | Confident | 5 Ų | 5 | 70 Ų | 70 | 5% | 0.052 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -59 | -34.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1151 L1157 | D1151-G1155 VanDerWaalsContact O-CA 3.23Å; D1151-G1155 WeakPolarHBondContact O-CA 3.4Å; D1151-G1155 PolarHBondContact O-N 2.85Å; G1155-L1157 VanDerWaalsContact C-N 3.27Å; G1155-L1157 PolarHBondContact O-N 3.13Å |
| 1156 | H | 67.1 | Low | 71.2 | Confident | 39 Ų | 39 | 69.1 Ų | 69.1 | 18% | 0.181 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -75.6 | -9.6 | 178.5 | 69.5 | -87.8 | 0 | 0 | 0 | 114.6 | F1149 T1153 C1154 Y1162 K1198 | F1149-H1156 HydrophobicContact CD2-CB 4.07Å; F1149-H1156 HydrophobicContact CE1-CB 4.25Å; F1149-H1156 HydrophobicContact CE2-CB 3.66Å; F1149-H1156 HydrophobicContact CZ-CB 3.75Å; T1153-H1156 PolarHBondContact O-CE1 3.4Å; T1153-H1156 PolarHBondContact O-ND1 2.91Å; C1154-H1156 PolarHBondContact O-N 2.85Å; H1156-Y1162 WeakPolarHBondContact O-CE1 3.26Å; H1156-Y1162 PolarHBondContact O-OH 2.77Å; H1156-K1198 HydrophobicContact CB-CB 4.49Å; H1156-K1198 HydrophobicContact CB-CD 4Å |
| 1157 | L | 69 | Low | 70.9 | Confident | 114 Ų | 114 | 70.4 Ų | 70.4 | 60% | 0.597 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -84.4 | -9.5 | 178.7 | -61.5 | 173.8 | 0 | 0 | 0 | 112.9 | C1154 G1155 I1159 | C1154-L1157 HydrophobicContact CB-CD1 4.27Å; C1154-L1157 WeakPolarHBondContact O-CB 3.31Å; C1154-L1157 PolarHBondContact O-N 3.18Å; G1155-L1157 VanDerWaalsContact C-N 3.27Å; G1155-L1157 PolarHBondContact O-N 3.13Å; L1157-I1159 PolarHBondContact O-N 3.47Å |
| 1158 | R | 64.3 | Low | 70.8 | Confident | 160 Ų | 160 | 73.5 Ų | 73.5 | 60% | 0.604 | 39% | 0.391 | S | S | * | . | trans | -75.4 | 116.5 | 176.6 | -67.4 | -174.1 | 179.3 | -174 | 1 | 110 | Y1162 | R1158-Y1162 WeakPolarHBondContact O-CD1 3.32Å; R1158-Y1162 WeakPolarHBondContact O-CE1 3.36Å | ||
| 1159 | I | 48.1 | Very low | 70.7 | Confident | 154 Ų | 154 | 76.8 Ų | 76.8 | 79% | 0.79 | 41% | 0.41 | S | S | * | . | trans | -114.6 | 136.6 | 176 | -58.4 | 168.7 | 0 | 0 | 0 | 105.9 | L1157 | L1157-I1159 PolarHBondContact O-N 3.47Š| ||
| 1160 | P | 51.8 | Low | 70.8 | Confident | 100 Ų | 100 | 76.9 Ų | 76.9 | 65% | 0.649 | 41% | 0.41 | S | S | * | . | S | Bend | cis | -103.7 | -176.6 | 7.6 | 38.6 | -25.6 | 0 | 0 | 0 | 112.7 | Y1162 | P1160-Y1162 PolarHBondContact O-N 3.21Š|
| 1161 | P | 49.7 | Very low | 70.9 | Confident | 97 Ų | 97 | 78.8 Ų | 78.8 | 63% | 0.63 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -55.7 | 121.2 | -134.9 | 34.6 | -33.6 | 0 | 0 | 0 | 111.3 | ||
| 1162 | Y | 58.8 | Low | 70.8 | Confident | 48 Ų | 48 | 79.9 Ų | 79.9 | 19% | 0.188 | 43% | 0.427 | C | S | . | . | trans | -25.4 | 124.1 | -167.7 | -51.1 | -78.5 | 0 | 0 | 0 | 115.3 | L1100 F1149 H1156 R1158 P1160 I1164 | L1100-Y1162 HydrophobicContact CD1-CE2 4.27Å; F1149-Y1162 HydrophobicContact CD1-CD1 4.46Å; F1149-Y1162 AromaticContact CE1-CD1 3.5Å; F1149-Y1162 HydrophobicContact CE1-CD1 3.5Å; F1149-Y1162 HydrophobicContact CE1-CD2 4.36Å; F1149-Y1162 AromaticContact CE1-CE1 3.6Å; F1149-Y1162 HydrophobicContact CE1-CE1 3.6Å; F1149-Y1162 HydrophobicContact CE1-CE2 4.45Å; F1149-Y1162 AromaticContact CE1-CG 3.89Å; F1149-Y1162 HydrophobicContact CE1-CG 3.89Å; F1149-Y1162 HydrophobicContact CZ-CD1 4.21Å; F1149-Y1162 AromaticContact CZ-CE1 3.95Å; F1149-Y1162 HydrophobicContact CZ-CE1 3.95Å; F1149-Y1162 HydrophobicContact CZ-CE2 4.28Å; F1149-Y1162 HydrophobicContact CZ-CG 4.48Å; F1149-Y1162 AromaticContact CZ-CZ 3.98Å; H1156-Y1162 WeakPolarHBondContact O-CE1 3.26Å; H1156-Y1162 PolarHBondContact O-OH 2.77Å; R1158-Y1162 WeakPolarHBondContact O-CD1 3.32Å; R1158-Y1162 WeakPolarHBondContact O-CE1 3.36Å; P1160-Y1162 PolarHBondContact O-N 3.21Å; Y1162-I1164 PolarHBondContact O-N 3.17Å | ||
| 1163 | P | 57.4 | Low | 71.1 | Confident | 51 Ų | 51 | 83.5 Ų | 83.5 | 33% | 0.331 | 45% | 0.449 | S | S | . | . | trans | -57 | 136.7 | 169 | 24.2 | -30.9 | 0 | 0 | 0 | 108.3 | E1165 A1166 | P1163-E1165 HydrophobicContact CB-CB 4.42Å; P1163-E1165 PolarHBondContact O-N 3.36Å; P1163-A1166 HydrophobicContact CG-CB 4.25Å; P1163-A1166 PolarHBondContact O-N 3.36Å | ||
| 1164 | I | 64.5 | Low | 71.5 | Confident | 116 Ų | 116 | 78.6 Ų | 78.6 | 60% | 0.595 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -49.5 | -30.9 | 178.7 | -68.4 | 168.8 | 0 | 0 | 0 | 110.8 | Y1162 A1166 L1167 | Y1162-I1164 PolarHBondContact O-N 3.17Å; I1164-A1166 VanDerWaalsContact C-N 3.25Å; I1164-A1166 PolarHBondContact O-N 2.97Å; I1164-L1167 PolarHBondContact O-N 3.1Å |
| 1165 | E | 70.7 | Confident | 72.2 | Confident | 171 Ų | 171 | 82.5 Ų | 82.5 | 80% | 0.799 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -58.1 | -27.5 | 175.7 | -59.9 | 149 | -158.6 | 0 | 0 | 114.8 | P1163 L1167 | P1163-E1165 HydrophobicContact CB-CB 4.42Å; P1163-E1165 PolarHBondContact O-N 3.36Å; E1165-L1167 VanDerWaalsContact C-N 3.31Å |
| 1166 | A | 77.3 | Confident | 73.2 | Confident | 9 Ų | 9 | 82.3 Ų | 82.3 | 7% | 0.074 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -88.5 | 0.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1149 T1150 P1163 I1164 | F1149-A1166 WeakPolarHBondContact CA-O 3.48Å; T1150-A1166 PolarHBondContact N-O 2.86Å; T1150-A1166 WeakPolarHBondContact OG1-CA 3.34Å; T1150-A1166 PolarHBondContact OG1-O 3.19Å; P1163-A1166 HydrophobicContact CG-CB 4.25Å; P1163-A1166 PolarHBondContact O-N 3.36Å; I1164-A1166 VanDerWaalsContact C-N 3.25Å; I1164-A1166 PolarHBondContact O-N 2.97Å |
| 1167 | L | 83.1 | Confident | 74.1 | Confident | 27 Ų | 27 | 82.4 Ų | 82.4 | 14% | 0.141 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141.2 | -178.6 | -63.4 | 176.6 | 0 | 0 | 0 | 110.4 | Y1147 R1148 F1149 I1164 E1165 V1200 | Y1147-L1167 HydrophobicContact CD1-CB 3.98Å; Y1147-L1167 HydrophobicContact CG-CB 4.47Å; R1148-L1167 CarbonylContact O-C 3.56Å; R1148-L1167 WeakPolarHBondContact O-CA 3.07Å; F1149-L1167 HydrophobicContact CD1-CD2 3.7Å; F1149-L1167 HydrophobicContact CE1-CD2 3.64Å; F1149-L1167 HydrophobicContact CG-CD2 4.34Å; F1149-L1167 HydrophobicContact CZ-CD2 4.24Å; I1164-L1167 PolarHBondContact O-N 3.1Å; E1165-L1167 VanDerWaalsContact C-N 3.31Å; L1167-V1200 HydrophobicContact CD1-CG1 4.14Å; L1167-V1200 HydrophobicContact CD2-CB 4.24Å; L1167-V1200 HydrophobicContact CD2-CG2 3.91Å |
| 1168 | Q | 86.1 | Confident | 74.9 | Confident | 86 Ų | 86 | 77.2 Ų | 77.2 | 40% | 0.402 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 136.2 | 169.3 | -79.2 | -176.2 | -27 | 0 | 0 | 109.3 | Y1147 R1148 T1150 V1170 | Y1147-Q1168 CarbonylContact C-O 3.56Å; Y1147-Q1168 WeakPolarHBondContact CA-O 3.45Å; R1148-Q1168 HydrophobicContact CG-CB 4.28Å; R1148-Q1168 WeakPolarHBondContact CG-O 3.38Å; R1148-Q1168 PolarHBondContact N-O 3.01Å; R1148-Q1168 PolarHBondContact O-N 3.5Å; T1150-Q1168 HydrophobicContact CG2-CG 4.11Å; Q1168-V1170 PolarHBondContact O-N 2.91Å |
| 1169 | I | 87.3 | Confident | 75.7 | Confident | 99 Ų | 99 | 73 Ų | 73 | 51% | 0.508 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 132.4 | 177 | -66.1 | 170.9 | 0 | 0 | 0 | 109 | T1145 Y1147 Q1171 | T1145-I1169 HydrophobicContact CG2-CG1 4.37Å; T1145-I1169 HydrophobicContact CG2-CG2 4.14Å; Y1147-I1169 HydrophobicContact CD1-CG1 3.77Å; Y1147-I1169 HydrophobicContact CE1-CD1 4.14Å; Y1147-I1169 HydrophobicContact CE1-CG1 3.32Å; I1169-Q1171 PolarHBondContact O-N 3.47Å |
| 1170 | V | 88.9 | Confident | 77 | Confident | 3 Ų | 3 | 74.7 Ų | 74.7 | 2% | 0.018 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 117.8 | 167.1 | -178.4 | 0 | 0 | 0 | 0 | 107.1 | Y1122 L1146 R1148 Q1168 A1174 F1176 L1186 L1199 | Y1122-V1170 HydrophobicContact CD2-CB 4.12Å; Y1122-V1170 HydrophobicContact CD2-CG1 3.8Å; Y1122-V1170 HydrophobicContact CE2-CB 4.12Å; Y1122-V1170 HydrophobicContact CE2-CG1 4.32Å; Y1122-V1170 VanDerWaalsContact CE2-O 3.26Å; Y1122-V1170 WeakPolarHBondContact CE2-O 3.5Å; L1146-V1170 HydrophobicContact CB-CB 4.03Å; L1146-V1170 HydrophobicContact CB-CG2 4.02Å; L1146-V1170 PolarHBondContact O-N 2.92Å; R1148-V1170 HydrophobicContact CB-CG2 4.17Å; R1148-V1170 HydrophobicContact CG-CG2 4.37Å; Q1168-V1170 PolarHBondContact O-N 2.91Å; V1170-A1174 HydrophobicContact CG1-CB 4.1Å; V1170-F1176 HydrophobicContact CG1-CZ 4.33Å; V1170-L1186 HydrophobicContact CB-CD1 4.37Å; V1170-L1186 HydrophobicContact CG1-CD1 3.71Å; V1170-L1186 HydrophobicContact CG1-CD2 3.73Å; V1170-L1186 HydrophobicContact CG1-CG 4.4Å; V1170-L1186 HydrophobicContact CG2-CD1 3.96Å; V1170-L1199 HydrophobicContact CG2-CD2 4.41Å |
| 1171 | Q | 85.8 | Confident | 78.3 | Confident | 110 Ų | 110 | 73.7 Ų | 73.7 | 51% | 0.514 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 141.6 | -179.3 | -66 | -176.9 | -23.5 | 0 | 0 | 110.7 | I1169 T1173 A1174 T1188 | I1169-Q1171 PolarHBondContact O-N 3.47Å; Q1171-T1173 PolarHBondContact O-N 3.17Å; Q1171-T1173 VanDerWaalsContact O-N 3.14Å; Q1171-A1174 WeakPolarHBondContact O-CB 3.44Å; Q1171-A1174 PolarHBondContact O-N 2.49Å; Q1171-T1188 HydrophobicContact CB-CG2 4.31Å |
| 1172 | S | 82.5 | Confident | 79.6 | Confident | 88 Ų | 88 | 72.4 Ų | 72.4 | 62% | 0.615 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.5 | 177.8 | 54.1 | 0 | 0 | 0 | 0 | 113.6 | Y1122 | Y1122-S1172 WeakPolarHBondContact CB-O 3.39Š|
| 1173 | T | 82.9 | Confident | 80.9 | Confident | 106 Ų | 106 | 73.4 Ų | 73.4 | 65% | 0.65 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -6.1 | 175.4 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | Q1171 | Q1171-T1173 PolarHBondContact O-N 3.17Å; Q1171-T1173 VanDerWaalsContact O-N 3.14Å |
| 1174 | A | 85.4 | Confident | 82.3 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.008 | 38% | 0.377 | C | S | . | . | trans | -72 | 146.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y1122 V1170 Q1171 L1186 K1187 T1188 | Y1122-A1174 PolarHBondContact N-O 2.9Å; Y1122-A1174 VanDerWaalsContact N-O 3.17Å; V1170-A1174 HydrophobicContact CG1-CB 4.1Å; Q1171-A1174 WeakPolarHBondContact O-CB 3.44Å; Q1171-A1174 PolarHBondContact O-N 2.49Å; A1174-L1186 HydrophobicContact CB-CD2 3.82Å; A1174-K1187 WeakPolarHBondContact CA-O 3.33Å; A1174-T1188 HydrophobicContact CB-CG2 3.5Å; A1174-T1188 VanDerWaalsContact CB-CG2 3.5Å | ||
| 1175 | R | 86.9 | Confident | 83.5 | Confident | 149 Ų | 149 | 67.2 Ų | 67.2 | 56% | 0.562 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.6 | 168.9 | -67.4 | -170.4 | 179.5 | -161.6 | -1.9 | 110.5 | D1120 T1121 L1186 K1187 | D1120-R1175 CarbonylContact O-C 3.56Å; D1120-R1175 WeakPolarHBondContact O-CA 3.29Å; T1121-R1175 HydrophobicContact CG2-CG 4.48Å; R1175-L1186 CarbonylContact O-C 3.59Å; R1175-L1186 WeakPolarHBondContact O-CA 3.33Å; R1175-K1187 PolarHBondContact N-O 2.88Å; R1175-K1187 PolarHBondContact O-N 2.66Å |
| 1176 | F | 88.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 125.3 | 172.4 | -63.7 | -95.8 | 0 | 0 | 0 | 108.7 | I1116 G1119 D1120 V1125 L1146 V1170 V1184 T1185 L1186 I1195 L1199 | I1116-F1176 HydrophobicContact CG2-CB 3.6Å; I1116-F1176 HydrophobicContact CG2-CD1 3.97Å; I1116-F1176 HydrophobicContact CG2-CG 3.86Å; G1119-F1176 WeakPolarHBondContact CA-O 3.36Å; G1119-F1176 PolarHBondContact N-O 2.88Å; D1120-F1176 HydrophobicContact CB-CB 4.13Å; D1120-F1176 HydrophobicContact CB-CD2 4.2Å; D1120-F1176 WeakPolarHBondContact O-CD2 3.47Å; D1120-F1176 PolarHBondContact O-N 3.03Å; V1125-F1176 HydrophobicContact CB-CE2 3.92Å; V1125-F1176 HydrophobicContact CB-CZ 4.28Å; V1125-F1176 HydrophobicContact CG1-CE2 4.4Å; V1125-F1176 HydrophobicContact CG1-CZ 4.26Å; V1125-F1176 HydrophobicContact CG2-CD2 3.5Å; V1125-F1176 HydrophobicContact CG2-CE2 3.36Å; V1125-F1176 HydrophobicContact CG2-CG 4.21Å; V1125-F1176 HydrophobicContact CG2-CZ 3.94Å; L1146-F1176 HydrophobicContact CD1-CZ 4.39Å; V1170-F1176 HydrophobicContact CG1-CZ 4.33Å; F1176-V1184 HydrophobicContact CB-CG1 4.2Å; F1176-V1184 HydrophobicContact CD1-CG1 3.74Å; F1176-V1184 HydrophobicContact CG-CG1 4.48Å; F1176-T1185 CarbonylContact C-O 3.58Å; F1176-T1185 WeakPolarHBondContact CA-O 3.2Å; F1176-L1186 HydrophobicContact CD1-CD2 3.66Å; F1176-L1186 HydrophobicContact CD1-CG 4.45Å; F1176-L1186 HydrophobicContact CD2-CD2 4.1Å; F1176-L1186 HydrophobicContact CE1-CD2 3.51Å; F1176-L1186 HydrophobicContact CE1-CG 4.34Å; F1176-L1186 HydrophobicContact CE2-CD2 3.95Å; F1176-L1186 HydrophobicContact CG-CD2 3.97Å; F1176-L1186 HydrophobicContact CZ-CD2 3.68Å; F1176-I1195 HydrophobicContact CE1-CD1 3.85Å; F1176-I1195 HydrophobicContact CD1-CD1 4.01Å; F1176-L1199 HydrophobicContact CE1-CD1 3.87Å; F1176-L1199 HydrophobicContact CZ-CD1 4.26Å |
| 1177 | V | 86.1 | Confident | 85 | Confident | 42 Ų | 42 | 63.1 Ų | 63.1 | 26% | 0.255 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 125.3 | 174.8 | 178.2 | 0 | 0 | 0 | 0 | 107.2 | D1118 V1184 T1185 K1187 F1192 | D1118-V1177 VanDerWaalsContact OD1-CA 3.31Å; D1118-V1177 WeakPolarHBondContact OD1-CA 3.43Å; V1177-V1184 WeakPolarHBondContact O-CA 3.47Å; V1177-T1185 PolarHBondContact N-O 3.33Å; V1177-T1185 PolarHBondContact O-N 2.82Å; V1177-T1185 PolarHBondContact O-OG1 2.78Å; V1177-K1187 HydrophobicContact CG2-CB 3.95Å; V1177-F1192 HydrophobicContact CG2-CE1 4.19Å |
| 1178 | V | 85.6 | Confident | 85 | Confident | 4 Ų | 4 | 62.8 Ų | 62.8 | 2% | 0.024 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 118.3 | -176.8 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | T1093 A1095 I1116 D1118 T1183 V1184 | T1093-V1178 PolarHBondContact OG1-O 3.05Å; A1095-V1178 HydrophobicContact CB-CG1 3.73Å; A1095-V1178 HydrophobicContact CB-CG2 4.41Å; I1116-V1178 HydrophobicContact CG2-CG2 4.07Å; D1118-V1178 HydrophobicContact CB-CB 4.01Å; D1118-V1178 PolarHBondContact OD1-N 3.28Å; V1178-T1183 WeakPolarHBondContact CA-O 3.26Å; V1178-V1184 HydrophobicContact CG2-CG1 4.36Å; V1178-V1184 HydrophobicContact CG2-CG2 4.15Å |
| 1179 | D | 82 | Confident | 84.7 | Confident | 73 Ų | 73 | 61.9 Ų | 61.9 | 39% | 0.39 | 35% | 0.35 | S | S | . | . | trans | -82.6 | 175.4 | 177.9 | 69.4 | 21.6 | 0 | 0 | 0 | 112.8 | S1181 S1182 T1183 | D1179-S1181 VanDerWaalsContact CG-OG 3.23Å; D1179-S1181 PolarHBondContact OD2-OG 3.14Å; D1179-S1181 PolarHBondContact OD1-OG 2.84Å; D1179-S1181 PolarHBondContact OD1-N 3.27Å; D1179-S1181 WeakPolarHBondContact OD1-CB 3.41Å; D1179-S1181 WeakPolarHBondContact OD1-CA 3.36Å; D1179-S1181 VanDerWaalsContact OD1-CA 3.29Å; D1179-S1181 VanDerWaalsContact O-N 3.13Å; D1179-S1181 PolarHBondContact O-N 2.96Å; D1179-S1182 PolarHBondContact O-N 3.34Å; D1179-S1182 PolarHBondContact OD1-N 2.77Å; D1179-T1183 WeakPolarHBondContact OD2-CB 3.17Å; D1179-T1183 WeakPolarHBondContact OD1-CB 3.43Å; D1179-T1183 PolarHBondContact N-O 2.96Å; D1179-T1183 PolarHBondContact OD1-N 3.14Å | ||
| 1180 | E | 75.8 | Confident | 84.2 | Confident | 188 Ų | 188 | 62.1 Ų | 62.1 | 88% | 0.879 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17.1 | 178.1 | -63.2 | -174.6 | 170.9 | 0 | 0 | 113.6 | S1182 | E1180-S1182 VanDerWaalsContact C-N 3.32Š|
| 1181 | S | 79 | Confident | 83.9 | Confident | 80 Ų | 80 | 66.8 Ų | 66.8 | 56% | 0.559 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 5.4 | 176.8 | 78.1 | 0 | 0 | 0 | 0 | 113.4 | D1179 T1183 | D1179-S1181 VanDerWaalsContact CG-OG 3.23Å; D1179-S1181 PolarHBondContact OD2-OG 3.14Å; D1179-S1181 PolarHBondContact OD1-OG 2.84Å; D1179-S1181 PolarHBondContact OD1-N 3.27Å; D1179-S1181 WeakPolarHBondContact OD1-CB 3.41Å; D1179-S1181 WeakPolarHBondContact OD1-CA 3.36Å; D1179-S1181 VanDerWaalsContact OD1-CA 3.29Å; D1179-S1181 VanDerWaalsContact O-N 3.13Å; D1179-S1181 PolarHBondContact O-N 2.96Å; S1181-T1183 PolarHBondContact O-N 3.48Å; S1181-T1183 PolarHBondContact OG-OG1 2.98Å |
| 1182 | S | 77.7 | Confident | 83.9 | Confident | 69 Ų | 69 | 67.1 Ų | 67.1 | 48% | 0.483 | 39% | 0.385 | S | S | . | . | trans | 60 | 28.4 | -172.2 | -62.4 | 0 | 0 | 0 | 0 | 113.2 | T1094 A1095 D1179 E1180 | T1094-S1182 VanDerWaalsContact O-CB 3.32Å; T1094-S1182 WeakPolarHBondContact O-CB 3.36Å; T1094-S1182 PolarHBondContact O-OG 2.78Å; A1095-S1182 WeakPolarHBondContact CB-O 3.32Å; D1179-S1182 PolarHBondContact O-N 3.34Å; D1179-S1182 PolarHBondContact OD1-N 2.77Å; E1180-S1182 VanDerWaalsContact C-N 3.32Å | ||
| 1183 | T | 84.2 | Confident | 84.2 | Confident | 69 Ų | 69 | 65 Ų | 65 | 42% | 0.423 | 37% | 0.366 | S | S | . | . | trans | -89.5 | 136.8 | 171.8 | -56.9 | 0 | 0 | 0 | 0 | 109.4 | V1178 D1179 S1181 | V1178-T1183 WeakPolarHBondContact CA-O 3.26Å; D1179-T1183 WeakPolarHBondContact OD2-CB 3.17Å; D1179-T1183 WeakPolarHBondContact OD1-CB 3.43Å; D1179-T1183 PolarHBondContact N-O 2.96Å; D1179-T1183 PolarHBondContact OD1-N 3.14Å; S1181-T1183 PolarHBondContact O-N 3.48Å; S1181-T1183 PolarHBondContact OG-OG1 2.98Å | ||
| 1184 | V | 87.8 | Confident | 84.4 | Confident | 3 Ų | 3 | 63.1 Ų | 63.1 | 2% | 0.018 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.4 | -176.6 | -167.1 | 0 | 0 | 0 | 0 | 111.1 | A1095 I1097 I1116 F1176 V1177 V1178 I1195 | A1095-V1184 HydrophobicContact CB-CG2 3.15Å; I1097-V1184 HydrophobicContact CD1-CB 4.43Å; I1097-V1184 HydrophobicContact CD1-CG2 3.82Å; I1097-V1184 HydrophobicContact CG1-CG2 4.1Å; I1116-V1184 HydrophobicContact CG2-CG1 4.3Å; F1176-V1184 HydrophobicContact CB-CG1 4.2Å; F1176-V1184 HydrophobicContact CD1-CG1 3.74Å; F1176-V1184 HydrophobicContact CG-CG1 4.48Å; V1177-V1184 WeakPolarHBondContact O-CA 3.47Å; V1178-V1184 HydrophobicContact CG2-CG1 4.36Å; V1178-V1184 HydrophobicContact CG2-CG2 4.15Å; V1184-I1195 HydrophobicContact CB-CD1 3.78Å; V1184-I1195 HydrophobicContact CB-CG1 3.75Å; V1184-I1195 HydrophobicContact CG1-CD1 3.5Å; V1184-I1195 HydrophobicContact CG1-CG1 3.88Å; V1184-I1195 WeakPolarHBondContact O-CG1 3.42Å; V1184-I1195 PolarHBondContact O-N 2.76Å |
| 1185 | T | 90.7 | Very high | 84.5 | Confident | 34 Ų | 34 | 63.1 Ų | 63.1 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 147.5 | 170 | 56.3 | 0 | 0 | 0 | 0 | 110.1 | F1176 V1177 I1193 P1194 | F1176-T1185 CarbonylContact C-O 3.58Å; F1176-T1185 WeakPolarHBondContact CA-O 3.2Å; V1177-T1185 PolarHBondContact N-O 3.33Å; V1177-T1185 PolarHBondContact O-N 2.82Å; V1177-T1185 PolarHBondContact O-OG1 2.78Å; T1185-I1193 CarbonylContact C-O 3.5Å; T1185-I1193 WeakPolarHBondContact CA-O 3.3Å; T1185-P1194 HydrophobicContact CG2-CB 4.43Å |
| 1186 | L | 90.5 | Very high | 84.4 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 121.5 | 169.6 | -74.3 | 166.3 | 0 | 0 | 0 | 109 | V1170 A1174 R1175 F1176 F1192 I1193 I1195 | V1170-L1186 HydrophobicContact CB-CD1 4.37Å; V1170-L1186 HydrophobicContact CG1-CD1 3.71Å; V1170-L1186 HydrophobicContact CG1-CD2 3.73Å; V1170-L1186 HydrophobicContact CG1-CG 4.4Å; V1170-L1186 HydrophobicContact CG2-CD1 3.96Å; A1174-L1186 HydrophobicContact CB-CD2 3.82Å; R1175-L1186 CarbonylContact O-C 3.59Å; R1175-L1186 WeakPolarHBondContact O-CA 3.33Å; F1176-L1186 HydrophobicContact CD1-CD2 3.66Å; F1176-L1186 HydrophobicContact CD1-CG 4.45Å; F1176-L1186 HydrophobicContact CD2-CD2 4.1Å; F1176-L1186 HydrophobicContact CE1-CD2 3.51Å; F1176-L1186 HydrophobicContact CE1-CG 4.34Å; F1176-L1186 HydrophobicContact CE2-CD2 3.95Å; F1176-L1186 HydrophobicContact CG-CD2 3.97Å; F1176-L1186 HydrophobicContact CZ-CD2 3.68Å; L1186-F1192 CarbonylContact O-C 3.58Å; L1186-F1192 WeakPolarHBondContact O-CA 3.41Å; L1186-I1193 HydrophobicContact CB-CB 4.39Å; L1186-I1193 PolarHBondContact N-O 3.03Å; L1186-I1193 PolarHBondContact O-N 2.96Å; L1186-I1195 HydrophobicContact CB-CG2 4.31Å; L1186-I1195 HydrophobicContact CD1-CG2 3.28Å; L1186-I1195 HydrophobicContact CG-CG2 3.5Å; L1186-I1195 VanDerWaalsContact CG-CG2 3.5Å |
| 1187 | K | 88.2 | Confident | 84.2 | Confident | 90 Ų | 90 | 65 Ų | 65 | 39% | 0.391 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 115.6 | 169 | -172.2 | 179.9 | -177.5 | 178.8 | 0 | 109.7 | A1174 R1175 V1177 D1191 F1192 | A1174-K1187 WeakPolarHBondContact CA-O 3.33Å; R1175-K1187 PolarHBondContact N-O 2.88Å; R1175-K1187 PolarHBondContact O-N 2.66Å; V1177-K1187 HydrophobicContact CG2-CB 3.95Å; K1187-D1191 WeakPolarHBondContact CA-O 3.23Å; K1187-D1191 VanDerWaalsContact CA-O 3.3Å; K1187-F1192 HydrophobicContact CB-CD1 4.24Å; K1187-F1192 HydrophobicContact CB-CE1 4.09Å; K1187-F1192 HydrophobicContact CD-CE1 3.92Å; K1187-F1192 HydrophobicContact CD-CZ 3.77Å; K1187-F1192 HydrophobicContact CG-CD1 4.42Å; K1187-F1192 HydrophobicContact CG-CE1 4.01Å; K1187-F1192 HydrophobicContact CG-CE2 4.45Å; K1187-F1192 HydrophobicContact CG-CZ 4.03Å |
| 1188 | T | 82.1 | Confident | 84.3 | Confident | 20 Ų | 20 | 66.1 Ų | 66.1 | 12% | 0.123 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 101.7 | 174 | 46.5 | 0 | 0 | 0 | 0 | 108.9 | Q1171 A1174 S1190 D1191 | Q1171-T1188 HydrophobicContact CB-CG2 4.31Å; A1174-T1188 HydrophobicContact CB-CG2 3.5Å; A1174-T1188 VanDerWaalsContact CB-CG2 3.5Å; T1188-S1190 PolarHBondContact O-N 2.89Å; T1188-D1191 VanDerWaalsContact O-N 3.16Å; T1188-D1191 PolarHBondContact O-N 3.31Å; T1188-D1191 PolarHBondContact N-O 3.06Å |
| 1189 | G | 79.8 | Confident | 84.5 | Confident | 68 Ų | 68 | 65.9 Ų | 65.9 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | -117.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1190 | S | 78 | Confident | 84.7 | Confident | 103 Ų | 103 | 62.5 Ų | 62.5 | 72% | 0.72 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -12.7 | 175.5 | 47 | 0 | 0 | 0 | 0 | 114.2 | T1188 | T1188-S1190 PolarHBondContact O-N 2.89Š|
| 1191 | D | 82.8 | Confident | 85.3 | Confident | 101 Ų | 101 | 53.5 Ų | 53.5 | 54% | 0.54 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 142.7 | -172.8 | -61.2 | -25.4 | 0 | 0 | 0 | 111.7 | K1187 T1188 | K1187-D1191 WeakPolarHBondContact CA-O 3.23Å; K1187-D1191 VanDerWaalsContact CA-O 3.3Å; T1188-D1191 VanDerWaalsContact O-N 3.16Å; T1188-D1191 PolarHBondContact O-N 3.31Å; T1188-D1191 PolarHBondContact N-O 3.06Å |
| 1192 | F | 86 | Confident | 85.4 | Confident | 117 Ų | 117 | 50 Ų | 50 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 116.9 | 174.1 | -70.9 | -98 | 0 | 0 | 0 | 109.6 | V1177 L1186 K1187 | V1177-F1192 HydrophobicContact CG2-CE1 4.19Å; L1186-F1192 CarbonylContact O-C 3.58Å; L1186-F1192 WeakPolarHBondContact O-CA 3.41Å; K1187-F1192 HydrophobicContact CB-CD1 4.24Å; K1187-F1192 HydrophobicContact CB-CE1 4.09Å; K1187-F1192 HydrophobicContact CD-CE1 3.92Å; K1187-F1192 HydrophobicContact CD-CZ 3.77Å; K1187-F1192 HydrophobicContact CG-CD1 4.42Å; K1187-F1192 HydrophobicContact CG-CE1 4.01Å; K1187-F1192 HydrophobicContact CG-CE2 4.45Å; K1187-F1192 HydrophobicContact CG-CZ 4.03Å |
| 1193 | I | 88.2 | Confident | 85.2 | Confident | 43 Ų | 43 | 48.3 Ų | 48.3 | 22% | 0.221 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 114.4 | -173 | -53.3 | 170.4 | 0 | 0 | 0 | 109.4 | T1185 L1186 I1195 | T1185-I1193 CarbonylContact C-O 3.5Å; T1185-I1193 WeakPolarHBondContact CA-O 3.3Å; L1186-I1193 HydrophobicContact CB-CB 4.39Å; L1186-I1193 PolarHBondContact N-O 3.03Å; L1186-I1193 PolarHBondContact O-N 2.96Å; I1193-I1195 PolarHBondContact O-N 2.96Å |
| 1194 | P | 87.2 | Confident | 84 | Confident | 68 Ų | 68 | 48.6 Ų | 48.6 | 44% | 0.442 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 134.5 | 174.2 | 23.3 | -28.9 | 0 | 0 | 0 | 111 | P1152 T1185 | P1152-P1194 WeakPolarHBondContact CB-O 3.2Å; P1152-P1194 HydrophobicContact CG-CB 4.2Å; P1152-P1194 HydrophobicContact CG-CG 4.12Å; P1152-P1194 WeakPolarHBondContact CG-O 3.46Å; T1185-P1194 HydrophobicContact CG2-CB 4.43Å |
| 1195 | I | 87 | Confident | 82.3 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | trans | -106.5 | -12.2 | -179.7 | 60.4 | 163.6 | 0 | 0 | 0 | 114.3 | R1148 F1176 V1184 L1186 I1193 L1199 | R1148-I1195 HydrophobicContact CB-CG2 4.24Å; F1176-I1195 HydrophobicContact CE1-CD1 3.85Å; F1176-I1195 HydrophobicContact CD1-CD1 4.01Å; V1184-I1195 HydrophobicContact CB-CD1 3.78Å; V1184-I1195 HydrophobicContact CB-CG1 3.75Å; V1184-I1195 HydrophobicContact CG1-CD1 3.5Å; V1184-I1195 HydrophobicContact CG1-CG1 3.88Å; V1184-I1195 WeakPolarHBondContact O-CG1 3.42Å; V1184-I1195 PolarHBondContact O-N 2.76Å; L1186-I1195 HydrophobicContact CB-CG2 4.31Å; L1186-I1195 HydrophobicContact CD1-CG2 3.28Å; L1186-I1195 HydrophobicContact CG-CG2 3.5Å; L1186-I1195 VanDerWaalsContact CG-CG2 3.5Å; I1193-I1195 PolarHBondContact O-N 2.96Å; I1195-L1199 HydrophobicContact CB-CD2 4.16Å; I1195-L1199 HydrophobicContact CD1-CD1 3.97Å; I1195-L1199 HydrophobicContact CD1-CD2 4.03Å; I1195-L1199 HydrophobicContact CD1-CG 4.11Å; I1195-L1199 HydrophobicContact CG2-CD2 4.45Å | ||
| 1196 | G | 85.1 | Confident | 79.9 | Confident | 23 Ų | 23 | 54 Ų | 54 | 24% | 0.237 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | -157.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1097 | I1097-G1196 VanDerWaalsContact CD1-O 3.32Å; I1097-G1196 WeakPolarHBondContact CD1-O 3.36Å |
| 1197 | K | 85.3 | Confident | 77.2 | Confident | 165 Ų | 165 | 61.9 Ų | 61.9 | 72% | 0.717 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -1.2 | -175 | -63.8 | -170 | 178.2 | -174.7 | 0 | 114.5 | T1098 | T1098-K1197 PolarHBondContact N-O 2.7Š|
| 1198 | K | 87.3 | Confident | 76.7 | Confident | 65 Ų | 65 | 60.5 Ų | 60.5 | 28% | 0.283 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 133.4 | -174.9 | -54.9 | -166.3 | -176.4 | 178.3 | 0 | 111.2 | T1098 L1100 F1149 H1156 | T1098-K1198 CarbonylContact O-C 3.5Å; T1098-K1198 VanDerWaalsContact O-CA 3.27Å; T1098-K1198 WeakPolarHBondContact O-CA 3.48Å; L1100-K1198 HydrophobicContact CD1-CB 4.31Å; L1100-K1198 HydrophobicContact CD1-CD 3.99Å; L1100-K1198 HydrophobicContact CG-CD 4.47Å; F1149-K1198 HydrophobicContact CE2-CB 4.14Å; H1156-K1198 HydrophobicContact CB-CB 4.49Å; H1156-K1198 HydrophobicContact CB-CD 4Å |
| 1199 | L | 89.9 | Confident | 76.4 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 160.5 | 167.2 | -70.2 | 173.2 | 0 | 0 | 0 | 109.1 | I1097 T1098 F1099 L1100 Y1147 R1148 V1170 F1176 I1195 | I1097-L1199 HydrophobicContact CG2-CB 4.22Å; I1097-L1199 HydrophobicContact CG2-CD1 4.05Å; I1097-L1199 HydrophobicContact CG2-CG 3.95Å; T1098-L1199 PolarHBondContact O-N 2.85Å; F1099-L1199 CarbonylContact C-O 3.56Å; F1099-L1199 WeakPolarHBondContact CA-O 3.29Å; F1099-L1199 HydrophobicContact CD1-CB 4.14Å; F1099-L1199 HydrophobicContact CE1-CB 4.06Å; F1099-L1199 HydrophobicContact CE1-CD1 3.83Å; F1099-L1199 HydrophobicContact CZ-CB 4.45Å; F1099-L1199 HydrophobicContact CZ-CD1 3.72Å; L1100-L1199 PolarHBondContact N-O 2.81Å; Y1147-L1199 WeakPolarHBondContact O-CD2 3.49Å; R1148-L1199 HydrophobicContact CB-CD2 3.76Å; V1170-L1199 HydrophobicContact CG2-CD2 4.41Å; F1176-L1199 HydrophobicContact CE1-CD1 3.87Å; F1176-L1199 HydrophobicContact CZ-CD1 4.26Å; I1195-L1199 HydrophobicContact CB-CD2 4.16Å; I1195-L1199 HydrophobicContact CD1-CD1 3.97Å; I1195-L1199 HydrophobicContact CD1-CD2 4.03Å; I1195-L1199 HydrophobicContact CD1-CG 4.11Å; I1195-L1199 HydrophobicContact CG2-CD2 4.45Å |
| 1200 | V | 87.1 | Confident | 76.2 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 140.6 | 172.8 | 166.2 | 0 | 0 | 0 | 0 | 107.9 | L1100 P1102 Y1147 F1149 L1167 | L1100-V1200 HydrophobicContact CB-CG2 4.17Å; L1100-V1200 HydrophobicContact CD1-CG2 4.47Å; L1100-V1200 CarbonylContact O-C 3.28Å; L1100-V1200 WeakPolarHBondContact O-CA 3.16Å; P1102-V1200 HydrophobicContact CG-CG1 3.81Å; Y1147-V1200 HydrophobicContact CD2-CG1 4.5Å; Y1147-V1200 PolarHBondContact N-O 3.34Å; Y1147-V1200 PolarHBondContact O-N 2.82Å; F1149-V1200 HydrophobicContact CE1-CG2 4.31Å; F1149-V1200 HydrophobicContact CE2-CG2 4.04Å; F1149-V1200 HydrophobicContact CZ-CG2 3.62Å; L1167-V1200 HydrophobicContact CD1-CG1 4.14Å; L1167-V1200 HydrophobicContact CD2-CB 4.24Å; L1167-V1200 HydrophobicContact CD2-CG2 3.91Å |
| 1201 | Y | 87.6 | Confident | 76.1 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 144.2 | 173.6 | 81.9 | -70.3 | 0 | 0 | 0 | 110.5 | F1099 L1100 N1101 P1102 L1108 F1109 L1111 V1129 I1144 T1145 | F1099-Y1201 HydrophobicContact CB-CD1 3.64Å; F1099-Y1201 HydrophobicContact CB-CE1 3.95Å; F1099-Y1201 HydrophobicContact CB-CG 4.43Å; F1099-Y1201 HydrophobicContact CD1-CD1 4.48Å; L1100-Y1201 WeakPolarHBondContact O-CD1 3.34Å; L1100-Y1201 PolarHBondContact O-N 3.27Å; N1101-Y1201 HydrophobicContact CB-CD1 4.46Å; N1101-Y1201 HydrophobicContact CB-CE1 3.85Å; P1102-Y1201 WeakPolarHBondContact CD-O 3.48Å; L1108-Y1201 HydrophobicContact CB-CE2 4.32Å; L1108-Y1201 HydrophobicContact CD1-CE2 4.04Å; L1108-Y1201 HydrophobicContact CD2-CE2 4.18Å; L1108-Y1201 HydrophobicContact CG-CE2 4.42Å; F1109-Y1201 PolarHBondContact O-OH 3.48Å; L1111-Y1201 HydrophobicContact CG-CE1 4.47Å; V1129-Y1201 HydrophobicContact CG1-CD2 3.76Å; V1129-Y1201 HydrophobicContact CG1-CE2 3.86Å; V1129-Y1201 HydrophobicContact CG1-CG 4.29Å; I1144-Y1201 HydrophobicContact CD1-CD2 4.12Å; I1144-Y1201 HydrophobicContact CD1-CE2 4.42Å; I1144-Y1201 HydrophobicContact CG2-CD2 4.05Å; T1145-Y1201 WeakPolarHBondContact O-CA 3.36Å |
| 1202 | T | 81.1 | Confident | 75.7 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 4% | 0.037 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 151.2 | -177.5 | 169 | 0 | 0 | 0 | 0 | 109.9 | D1103 I1144 T1145 Y1147 T1204 | D1103-T1202 WeakPolarHBondContact OD2-CB 3.39Å; D1103-T1202 PolarHBondContact OD2-OG1 2.81Å; I1144-T1202 WeakPolarHBondContact CA-O 3.42Å; T1145-T1202 PolarHBondContact N-O 3.41Å; T1145-T1202 PolarHBondContact O-N 2.81Å; Y1147-T1202 HydrophobicContact CD2-CG2 3.92Å; Y1147-T1202 HydrophobicContact CE2-CG2 3.37Å; T1202-T1204 PolarHBondContact OG1-N 3.38Å; T1202-T1204 PolarHBondContact OG1-O 2.81Å; T1202-T1204 PolarHBondContact OG1-OG1 3.16Å |
| 1203 | T | 72.9 | Confident | 75 | Confident | 34 Ų | 34 | 53.3 Ų | 53.3 | 21% | 0.209 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -95.3 | -17.4 | 171.2 | 48.6 | 0 | 0 | 0 | 0 | 112.9 | L1108 N1140 I1144 | L1108-T1203 HydrophobicContact CD1-CG2 3.74Å; N1140-T1203 VanDerWaalsContact O-CG2 3.24Å; N1140-T1203 WeakPolarHBondContact O-CG2 3.42Å; I1144-T1203 HydrophobicContact CG1-CG2 4.15Å |
| 1204 | T | 60.6 | Low | 74.1 | Confident | 74 Ų | 74 | 54.1 Ų | 54.1 | 45% | 0.454 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -79.5 | 121.8 | 173.3 | 26.6 | 0 | 0 | 0 | 0 | 108.6 | D1103 T1202 S1206 | D1103-T1204 PolarHBondContact OD2-OG1 3.36Å; T1202-T1204 PolarHBondContact OG1-N 3.38Å; T1202-T1204 PolarHBondContact OG1-O 2.81Å; T1202-T1204 PolarHBondContact OG1-OG1 3.16Å; T1204-S1206 VanDerWaalsContact C-N 3.31Å; T1204-S1206 PolarHBondContact O-N 2.98Å |
| 1205 | V | 50.2 | Low | 73.1 | Confident | 98 Ų | 98 | 53 Ų | 53 | 59% | 0.594 | 32% | 0.315 | S | S | * | . | trans | -62.5 | 105.2 | 157.3 | -175.7 | 0 | 0 | 0 | 0 | 104.5 | S1207 | V1205-S1207 PolarHBondContact O-N 3.25Š| ||
| 1206 | S | 41.9 | Very low | 71.9 | Confident | 54 Ų | 54 | 57.3 Ų | 57.3 | 38% | 0.378 | 34% | 0.341 | S | S | . | . | trans | -73.4 | 69.2 | 175.2 | 61.9 | 0 | 0 | 0 | 0 | 109.1 | Y1147 T1204 | Y1147-S1206 PolarHBondContact OH-OG 3.25Å; T1204-S1206 VanDerWaalsContact C-N 3.31Å; T1204-S1206 PolarHBondContact O-N 2.98Å | ||
| 1207 | S | 34 | Very low | 70.7 | Confident | 168 Ų | 168 | 60.5 Ų | 60.5 | 100% | 1.175 | 35% | 0.35 | S | S | * | . | trans | 172.2 | 0 | 156.7 | 60.2 | 0 | 0 | 0 | 0 | 109.5 | V1205 | V1205-S1207 PolarHBondContact O-N 3.25Š|
Retrieved 1,207 of 1,207 residues in 1765.3 ms
(Link to these results)