| 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 | 52 | Low | 81.1 | Confident | 238 Ų | 238 | 88.5 Ų | 88.5 | 100% | 1.172 | 46% | 0.456 | S | S | * | . | 0 | 157.4 | 0 | -72 | -179.9 | 169.7 | 0 | 0 | 108.8 | |||||
| 2 | L | 69.3 | Low | 81.8 | Confident | 59 Ų | 59 | 81.4 Ų | 81.4 | 31% | 0.309 | 42% | 0.42 | S | S | . | . | trans | -89.5 | 114 | 176.2 | -56.7 | 163.1 | 0 | 0 | 0 | 106.4 | Q7 V8 H11 L35 | L2-Q7 HydrophobicContact CB-CB 4Å; L2-Q7 HydrophobicContact CD2-CB 3.95Å; L2-V8 HydrophobicContact CB-CG2 3.79Å; L2-V8 HydrophobicContact CD1-CG2 4.3Å; L2-H11 HydrophobicContact CD1-CB 3.43Å; L2-H11 VanDerWaalsContact CD1-CB 3.43Å; L2-H11 VanDerWaalsContact CD1-CG 3.47Å; L2-H11 HydrophobicContact CD2-CB 4.19Å; L2-H11 HydrophobicContact CG-CB 4.47Å; L2-L35 HydrophobicContact CD1-CD1 4.4Å; L2-L35 HydrophobicContact CD1-CD2 4.4Å | ||
| 3 | G | 74 | Confident | 82.3 | Confident | 63 Ų | 63 | 89 Ų | 89 | 65% | 0.649 | 44% | 0.442 | S | S | * | . | trans | -99.3 | -1.9 | -165.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 4 | N | 83.3 | Confident | 82.6 | Confident | 66 Ų | 66 | 89.7 Ų | 89.7 | 35% | 0.353 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -149.5 | 161.5 | 177.8 | 69.4 | -2.9 | 0 | 0 | 0 | 111.1 | E6 Q7 V8 | N4-E6 VanDerWaalsContact C-N 3.29Å; N4-E6 PolarHBondContact O-N 3.45Å; N4-Q7 PolarHBondContact O-N 3.21Å; N4-Q7 VanDerWaalsContact O-N 3.09Å; N4-Q7 VanDerWaalsContact OD1-CB 3.23Å; N4-Q7 WeakPolarHBondContact OD1-CB 3.28Å; N4-Q7 VanDerWaalsContact OD1-CD 3.29Å; N4-Q7 WeakPolarHBondContact OD1-CG 3.42Å; N4-Q7 PolarHBondContact OD1-N 3.09Å; N4-V8 PolarHBondContact O-N 3.32Å; N4-V8 VanDerWaalsContact O-N 3.13Å |
| 5 | K | 86.2 | Confident | 82.7 | Confident | 87 Ų | 87 | 86 Ų | 86 | 38% | 0.378 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -49.6 | -47.5 | -179.3 | -168.4 | -171.6 | -160.7 | 147.6 | 0 | 112.5 | Q7 V8 D9 E41 | K5-Q7 VanDerWaalsContact C-N 3.32Å; K5-Q7 PolarHBondContact O-N 2.84Å; K5-V8 CarbonylContact O-C 3.56Å; K5-V8 WeakPolarHBondContact O-CA 3.28Å; K5-V8 WeakPolarHBondContact O-CB 3.43Å; K5-V8 PolarHBondContact O-N 2.68Å; K5-D9 PolarHBondContact O-N 3.21Å; K5-E41 HydrophobicContact CD-CG 4.32Å; K5-E41 WeakPolarHBondContact CD-OE1 3.49Å; K5-E41 WeakPolarHBondContact CE-OE1 3.48Å; K5-E41 WeakPolarHBondContact CE-OE2 3.4Å; K5-E41 HydrophobicContact CG-CG 4.22Å; K5-E41 IonicContact NZ-OE1 3.85Å; K5-E41 PolarHBondContact NZ-OE1 3.38Å; K5-E41 IonicContact NZ-OE2 3.54Å; K5-E41 PolarHBondContact NZ-OE2 3.27Å |
| 6 | E | 84.6 | Confident | 82.9 | Confident | 110 Ų | 110 | 82.8 Ų | 82.8 | 51% | 0.514 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.3 | -37 | -178.8 | -163.5 | -160.9 | 163.6 | 0 | 0 | 113.4 | N4 K10 | N4-E6 VanDerWaalsContact C-N 3.29Å; N4-E6 PolarHBondContact O-N 3.45Å; E6-K10 HydrophobicContact CG-CD 4.44Å; E6-K10 WeakPolarHBondContact O-CB 3.32Å; E6-K10 WeakPolarHBondContact O-CD 3.36Å; E6-K10 VanDerWaalsContact O-CG 3.27Å; E6-K10 WeakPolarHBondContact O-CG 3.36Å; E6-K10 PolarHBondContact O-N 3.33Å; E6-K10 VanDerWaalsContact O-N 3.08Å; E6-K10 WeakPolarHBondContact OE1-CE 3.47Å; E6-K10 IonicContact OE1-NZ 2.8Å; E6-K10 PolarHBondContact OE1-NZ 3.14Å |
| 7 | Q | 85.6 | Confident | 83.1 | Confident | 87 Ų | 87 | 81.8 Ų | 81.8 | 41% | 0.407 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69.9 | -39.1 | 173.6 | -76 | 169.2 | 26.6 | 0 | 0 | 111.7 | L2 N4 K5 H11 | L2-Q7 HydrophobicContact CB-CB 4Å; L2-Q7 HydrophobicContact CD2-CB 3.95Å; N4-Q7 PolarHBondContact O-N 3.21Å; N4-Q7 VanDerWaalsContact O-N 3.09Å; N4-Q7 VanDerWaalsContact OD1-CB 3.23Å; N4-Q7 WeakPolarHBondContact OD1-CB 3.28Å; N4-Q7 VanDerWaalsContact OD1-CD 3.29Å; N4-Q7 WeakPolarHBondContact OD1-CG 3.42Å; N4-Q7 PolarHBondContact OD1-N 3.09Å; K5-Q7 VanDerWaalsContact C-N 3.32Å; K5-Q7 PolarHBondContact O-N 2.84Å; Q7-H11 WeakPolarHBondContact O-CB 3.4Å; Q7-H11 PolarHBondContact O-N 3.12Å |
| 8 | V | 89.2 | Confident | 83.1 | Confident | 2 Ų | 2 | 84.7 Ų | 84.7 | 1% | 0.012 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.2 | -50.9 | 174.4 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | L2 N4 K5 K10 H11 V12 L35 Y36 V39 | L2-V8 HydrophobicContact CB-CG2 3.79Å; L2-V8 HydrophobicContact CD1-CG2 4.3Å; N4-V8 PolarHBondContact O-N 3.32Å; N4-V8 VanDerWaalsContact O-N 3.13Å; K5-V8 CarbonylContact O-C 3.56Å; K5-V8 WeakPolarHBondContact O-CA 3.28Å; K5-V8 WeakPolarHBondContact O-CB 3.43Å; K5-V8 PolarHBondContact O-N 2.68Å; V8-K10 VanDerWaalsContact C-N 3.35Å; V8-K10 PolarHBondContact O-N 3.41Å; V8-H11 CarbonylContact O-C 3.55Å; V8-H11 WeakPolarHBondContact O-CA 3.38Å; V8-H11 WeakPolarHBondContact O-CB 3.3Å; V8-H11 PolarHBondContact O-N 3.48Å; V8-V12 HydrophobicContact CG1-CG2 3.91Å; V8-V12 WeakPolarHBondContact O-CB 3.24Å; V8-V12 VanDerWaalsContact O-CG2 3.25Å; V8-V12 WeakPolarHBondContact O-CG2 3.17Å; V8-V12 PolarHBondContact O-N 3.2Å; V8-L35 HydrophobicContact CG1-CB 3.83Å; V8-L35 HydrophobicContact CG2-CB 4.43Å; V8-Y36 HydrophobicContact CG1-CD1 3.93Å; V8-Y36 HydrophobicContact CG1-CD2 4.4Å; V8-Y36 HydrophobicContact CG1-CE1 3.76Å; V8-Y36 HydrophobicContact CG1-CE2 4.26Å; V8-Y36 HydrophobicContact CG1-CG 4.24Å; V8-V39 HydrophobicContact CB-CG2 4.31Å; V8-V39 HydrophobicContact CG2-CG2 3.79Å |
| 9 | D | 90.9 | Very high | 83.1 | Confident | 63 Ų | 63 | 80.5 Ų | 80.5 | 34% | 0.337 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -55.6 | -45.8 | 177.4 | -69 | -25.5 | 0 | 0 | 0 | 112.2 | K5 H11 V12 Y13 Y36 | K5-D9 PolarHBondContact O-N 3.21Å; D9-H11 VanDerWaalsContact C-N 3.34Å; D9-H11 PolarHBondContact O-N 2.72Å; D9-V12 PolarHBondContact O-N 3Å; D9-Y13 VanDerWaalsContact O-CB 3.24Å; D9-Y13 WeakPolarHBondContact O-CB 3.47Å; D9-Y13 PolarHBondContact O-N 3.43Å; D9-Y36 VanDerWaalsContact OD1-CE1 3.28Å; D9-Y36 WeakPolarHBondContact OD1-CE1 3.03Å; D9-Y36 PolarHBondContact OD1-OH 3.1Å |
| 10 | K | 87.6 | Confident | 83 | Confident | 128 Ų | 128 | 82.3 Ų | 82.3 | 56% | 0.557 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.4 | -39.4 | 175.5 | -76.9 | 170.3 | 176.9 | 171.5 | 0 | 112.4 | E6 V8 H14 | E6-K10 HydrophobicContact CG-CD 4.44Å; E6-K10 WeakPolarHBondContact O-CB 3.32Å; E6-K10 WeakPolarHBondContact O-CD 3.36Å; E6-K10 VanDerWaalsContact O-CG 3.27Å; E6-K10 WeakPolarHBondContact O-CG 3.36Å; E6-K10 PolarHBondContact O-N 3.33Å; E6-K10 VanDerWaalsContact O-N 3.08Å; E6-K10 WeakPolarHBondContact OE1-CE 3.47Å; E6-K10 IonicContact OE1-NZ 2.8Å; E6-K10 PolarHBondContact OE1-NZ 3.14Å; V8-K10 VanDerWaalsContact C-N 3.35Å; V8-K10 PolarHBondContact O-N 3.41Å; K10-H14 WeakPolarHBondContact O-CB 3.35Å; K10-H14 PolarHBondContact O-N 3.17Å; K10-H14 VanDerWaalsContact O-N 3.16Å |
| 11 | H | 89.1 | Confident | 83 | Confident | 71 Ų | 71 | 83.2 Ų | 83.2 | 33% | 0.329 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70 | -45.2 | 177.6 | -173.3 | 80 | 0 | 0 | 0 | 111.9 | L2 Q7 V8 D9 H14 L15 | L2-H11 HydrophobicContact CD1-CB 3.43Å; L2-H11 VanDerWaalsContact CD1-CB 3.43Å; L2-H11 VanDerWaalsContact CD1-CG 3.47Å; L2-H11 HydrophobicContact CD2-CB 4.19Å; L2-H11 HydrophobicContact CG-CB 4.47Å; Q7-H11 WeakPolarHBondContact O-CB 3.4Å; Q7-H11 PolarHBondContact O-N 3.12Å; V8-H11 CarbonylContact O-C 3.55Å; V8-H11 WeakPolarHBondContact O-CA 3.38Å; V8-H11 WeakPolarHBondContact O-CB 3.3Å; V8-H11 PolarHBondContact O-N 3.48Å; D9-H11 VanDerWaalsContact C-N 3.34Å; D9-H11 PolarHBondContact O-N 2.72Å; H11-H14 PolarHBondContact O-N 3.29Å; H11-L15 VanDerWaalsContact CD2-CD1 3.48Å; H11-L15 WeakPolarHBondContact CD2-CD1 3.14Å; H11-L15 WeakPolarHBondContact NE2-CD1 3.36Å; H11-L15 WeakPolarHBondContact O-CG 3.39Å; H11-L15 PolarHBondContact O-N 2.82Å |
| 12 | V | 90.1 | Very high | 84.4 | Confident | 3 Ų | 3 | 77.6 Ų | 77.6 | 2% | 0.018 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 176.9 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | V8 D9 H14 L15 L16 I32 L35 Y36 | V8-V12 HydrophobicContact CG1-CG2 3.91Å; V8-V12 WeakPolarHBondContact O-CB 3.24Å; V8-V12 VanDerWaalsContact O-CG2 3.25Å; V8-V12 WeakPolarHBondContact O-CG2 3.17Å; V8-V12 PolarHBondContact O-N 3.2Å; D9-V12 PolarHBondContact O-N 3Å; V12-H14 VanDerWaalsContact C-N 3.35Å; V12-H14 PolarHBondContact O-N 2.78Å; V12-L15 PolarHBondContact O-N 2.83Å; V12-L16 HydrophobicContact CG1-CD1 3.7Å; V12-L16 HydrophobicContact CG1-CG 4.24Å; V12-L16 WeakPolarHBondContact O-CB 3.47Å; V12-L16 VanDerWaalsContact O-CG 3.29Å; V12-L16 WeakPolarHBondContact O-CG 3.47Å; V12-L16 PolarHBondContact O-N 2.76Å; V12-I32 HydrophobicContact CB-CG2 4.49Å; V12-I32 HydrophobicContact CG1-CD1 4.19Å; V12-I32 HydrophobicContact CG1-CG1 4.34Å; V12-I32 HydrophobicContact CG1-CG2 3.83Å; V12-I32 HydrophobicContact CG2-CB 4.48Å; V12-I32 HydrophobicContact CG2-CG1 4.27Å; V12-I32 HydrophobicContact CG2-CG2 3.77Å; V12-L35 HydrophobicContact CG2-CD1 4.47Å; V12-Y36 HydrophobicContact CG1-CE2 4.34Å; V12-Y36 HydrophobicContact CG2-CE2 3.92Å |
| 13 | Y | 88.3 | Confident | 84.9 | Confident | 180 Ų | 180 | 79.4 Ų | 79.4 | 71% | 0.706 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -55.6 | -47.9 | 173 | -179.2 | -95.1 | 0 | 0 | 0 | 111.7 | D9 L16 A17 | D9-Y13 VanDerWaalsContact O-CB 3.24Å; D9-Y13 WeakPolarHBondContact O-CB 3.47Å; D9-Y13 PolarHBondContact O-N 3.43Å; Y13-L16 PolarHBondContact O-N 3.33Å; Y13-A17 WeakPolarHBondContact O-CB 3.3Å; Y13-A17 PolarHBondContact O-N 3.15Å |
| 14 | H | 85.5 | Confident | 85.2 | Confident | 99 Ų | 99 | 80.1 Ų | 80.1 | 46% | 0.458 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.1 | -32.7 | 177.6 | 174.6 | -110.5 | 0 | 0 | 0 | 113.5 | K10 H11 V12 K18 | K10-H14 WeakPolarHBondContact O-CB 3.35Å; K10-H14 PolarHBondContact O-N 3.17Å; K10-H14 VanDerWaalsContact O-N 3.16Å; H11-H14 PolarHBondContact O-N 3.29Å; V12-H14 VanDerWaalsContact C-N 3.35Å; V12-H14 PolarHBondContact O-N 2.78Å; H14-K18 PolarHBondContact CE1-NZ 3Å; H14-K18 VanDerWaalsContact CE1-NZ 3.25Å; H14-K18 WeakPolarHBondContact NE2-CE 3.25Å; H14-K18 PolarHBondContact NE2-NZ 2.93Å; H14-K18 WeakPolarHBondContact O-CG 3.5Å; H14-K18 PolarHBondContact O-N 3.01Å |
| 15 | L | 84.8 | Confident | 85.2 | Confident | 34 Ų | 34 | 82.8 Ų | 82.8 | 18% | 0.178 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.1 | -43 | 172.7 | -77.7 | 176.4 | 0 | 0 | 0 | 112.2 | H11 V12 K28 | H11-L15 VanDerWaalsContact CD2-CD1 3.48Å; H11-L15 WeakPolarHBondContact CD2-CD1 3.14Å; H11-L15 WeakPolarHBondContact NE2-CD1 3.36Å; H11-L15 WeakPolarHBondContact O-CG 3.39Å; H11-L15 PolarHBondContact O-N 2.82Å; V12-L15 PolarHBondContact O-N 2.83Å; L15-K28 PolarHBondContact O-NZ 3.17Å |
| 16 | L | 86.5 | Confident | 85.1 | Confident | 35 Ų | 35 | 81.5 Ų | 81.5 | 18% | 0.183 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -77 | -31.8 | -178.6 | -68.4 | 175.2 | 0 | 0 | 0 | 112.8 | V12 Y13 K18 C19 R25 I32 | V12-L16 HydrophobicContact CG1-CD1 3.7Å; V12-L16 HydrophobicContact CG1-CG 4.24Å; V12-L16 WeakPolarHBondContact O-CB 3.47Å; V12-L16 VanDerWaalsContact O-CG 3.29Å; V12-L16 WeakPolarHBondContact O-CG 3.47Å; V12-L16 PolarHBondContact O-N 2.76Å; Y13-L16 PolarHBondContact O-N 3.33Å; L16-K18 VanDerWaalsContact C-N 3.26Å; L16-K18 PolarHBondContact O-N 3.44Å; L16-C19 PolarHBondContact O-N 2.95Å; L16-R25 HydrophobicContact CD2-CB 3.92Å; L16-R25 HydrophobicContact CD2-CG 3.8Å; L16-R25 PolarHBondContact O-NE 3.26Å; L16-R25 PolarHBondContact O-NH2 2.87Å; L16-I32 HydrophobicContact CD1-CD1 4.49Å; L16-I32 HydrophobicContact CD2-CD1 3.78Å; L16-I32 HydrophobicContact CG-CD1 4.1Å |
| 17 | A | 85.1 | Confident | 85 | Confident | 65 Ų | 65 | 78.9 Ų | 78.9 | 54% | 0.537 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.2 | -27.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y13 | Y13-A17 WeakPolarHBondContact O-CB 3.3Å; Y13-A17 PolarHBondContact O-N 3.15Å |
| 18 | K | 83.7 | Confident | 85 | Confident | 135 Ų | 135 | 77.3 Ų | 77.3 | 59% | 0.587 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -16.3 | 172.9 | -72.2 | -178 | 179 | -178.4 | 0 | 114 | H14 L16 | H14-K18 PolarHBondContact CE1-NZ 3Å; H14-K18 VanDerWaalsContact CE1-NZ 3.25Å; H14-K18 WeakPolarHBondContact NE2-CE 3.25Å; H14-K18 PolarHBondContact NE2-NZ 2.93Å; H14-K18 WeakPolarHBondContact O-CG 3.5Å; H14-K18 PolarHBondContact O-N 3.01Å; L16-K18 VanDerWaalsContact C-N 3.26Å; L16-K18 PolarHBondContact O-N 3.44Å |
| 19 | C | 82.9 | Confident | 85.1 | Confident | 5 Ų | 5 | 77.5 Ų | 77.5 | 3% | 0.034 | 39% | 0.387 | C | S | . | . | trans | -83.8 | 114.7 | 176.7 | -73.7 | 0 | 0 | 0 | 0 | 109.9 | L16 E24 R25 K28 | L16-C19 PolarHBondContact O-N 2.95Å; C19-E24 WeakPolarHBondContact CA-OE2 3.38Å; C19-E24 HydrophobicContact CB-CB 3.93Å; C19-R25 HydrophobicContact CB-CG 3.54Å; C19-K28 VanDerWaalsContact SG-CE 3.53Å; C19-K28 PolarHBondContact SG-NZ 2.93Å | ||
| 20 | C | 81.6 | Confident | 85.1 | Confident | 115 Ų | 115 | 75.4 Ų | 75.4 | 78% | 0.777 | 38% | 0.376 | S | S | * | . | trans | -80.5 | -28.7 | -177.7 | -63.9 | 0 | 0 | 0 | 0 | 111.7 | E24 | C20-E24 PolarHBondContact N-OE2 2.8Š| ||
| 21 | N | 81.8 | Confident | 85.2 | Confident | 102 Ų | 102 | 75.2 Ų | 75.2 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -117.1 | 148.3 | -175.7 | -68.1 | -36.3 | 0 | 0 | 0 | 112.4 | N23 E24 R25 | N21-N23 PolarHBondContact O-N 3.25Å; N21-E24 HydrophobicContact CB-CG 4.22Å; N21-E24 PolarHBondContact N-OE2 3.34Å; N21-E24 WeakPolarHBondContact O-CB 3.24Å; N21-E24 PolarHBondContact O-N 2.95Å; N21-R25 PolarHBondContact O-N 2.82Å |
| 22 | I | 82.3 | Confident | 85.3 | Confident | 120 Ų | 120 | 71.8 Ų | 71.8 | 62% | 0.615 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.8 | -33.5 | 178.5 | -164.9 | 162.7 | 0 | 0 | 0 | 112.7 | E24 R25 K26 | I22-E24 VanDerWaalsContact C-N 3.33Å; I22-E24 PolarHBondContact O-N 2.9Å; I22-R25 WeakPolarHBondContact O-CB 3.26Å; I22-R25 PolarHBondContact O-N 3.42Å; I22-K26 PolarHBondContact O-N 3.41Å |
| 23 | N | 79 | Confident | 85.5 | Confident | 98 Ų | 98 | 71.7 Ų | 71.7 | 52% | 0.524 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.5 | -34.1 | 175.6 | -64.8 | -8.9 | 0 | 0 | 0 | 112.5 | N21 S27 F55 | N21-N23 PolarHBondContact O-N 3.25Å; N23-S27 WeakPolarHBondContact O-CB 3.19Å; N23-S27 PolarHBondContact O-N 2.93Å; N23-F55 HydrophobicContact CB-CE2 4.2Å; N23-F55 HydrophobicContact CB-CZ 4.4Å |
| 24 | E | 80.6 | Confident | 85.7 | Confident | 78 Ų | 78 | 68.6 Ų | 68.6 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 174.3 | -64.3 | 175.9 | 157.7 | 0 | 0 | 110.7 | C19 C20 N21 I22 S27 K28 | C19-E24 WeakPolarHBondContact CA-OE2 3.38Å; C19-E24 HydrophobicContact CB-CB 3.93Å; C20-E24 PolarHBondContact N-OE2 2.8Å; N21-E24 HydrophobicContact CB-CG 4.22Å; N21-E24 PolarHBondContact N-OE2 3.34Å; N21-E24 WeakPolarHBondContact O-CB 3.24Å; N21-E24 PolarHBondContact O-N 2.95Å; I22-E24 VanDerWaalsContact C-N 3.33Å; I22-E24 PolarHBondContact O-N 2.9Å; E24-S27 WeakPolarHBondContact CA-OG 3.44Å; E24-S27 PolarHBondContact O-N 3.43Å; E24-S27 PolarHBondContact O-OG 2.99Å; E24-K28 PolarHBondContact O-N 3.31Å; E24-K28 VanDerWaalsContact O-N 3.12Å |
| 25 | R | 84.1 | Confident | 86 | Confident | 121 Ų | 121 | 66.4 Ų | 66.4 | 46% | 0.457 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.2 | -50 | 175.1 | -64.3 | -174.1 | 177.3 | -176.3 | 0 | 111.1 | L16 C19 N21 I22 S27 K28 A29 | L16-R25 HydrophobicContact CD2-CB 3.92Å; L16-R25 HydrophobicContact CD2-CG 3.8Å; L16-R25 PolarHBondContact O-NE 3.26Å; L16-R25 PolarHBondContact O-NH2 2.87Å; C19-R25 HydrophobicContact CB-CG 3.54Å; N21-R25 PolarHBondContact O-N 2.82Å; I22-R25 WeakPolarHBondContact O-CB 3.26Å; I22-R25 PolarHBondContact O-N 3.42Å; R25-S27 VanDerWaalsContact C-N 3.29Å; R25-S27 PolarHBondContact O-N 2.99Å; R25-K28 PolarHBondContact O-N 2.72Å; R25-A29 PolarHBondContact O-N 3.01Å; R25-A29 VanDerWaalsContact O-N 3.16Å |
| 26 | K | 83.9 | Confident | 86.4 | Confident | 60 Ų | 60 | 65.4 Ų | 65.4 | 26% | 0.261 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.9 | -38.6 | 174.2 | -70.1 | -154.4 | 175 | -163.4 | 0 | 111.8 | I22 K28 A29 Y52 E54 F55 | I22-K26 PolarHBondContact O-N 3.41Å; K26-K28 VanDerWaalsContact C-N 3.32Å; K26-K28 PolarHBondContact O-N 3.2Å; K26-A29 WeakPolarHBondContact O-CB 3.4Å; K26-A29 PolarHBondContact O-N 3.46Å; K26-Y52 WeakPolarHBondContact O-CD2 3.38Å; K26-E54 IonicContact NZ-OE2 2.87Å; K26-E54 PolarHBondContact NZ-OE2 2.84Å; K26-F55 HydrophobicContact CB-CB 3.96Å; K26-F55 HydrophobicContact CB-CD1 4.2Å; K26-F55 HydrophobicContact CB-CD2 4.42Å; K26-F55 HydrophobicContact CB-CG 3.95Å; K26-F55 HydrophobicContact CD-CB 3.84Å; K26-F55 HydrophobicContact CD-CG 4.43Å |
| 27 | S | 81.6 | Confident | 86.7 | Confident | 55 Ų | 55 | 66.1 Ų | 66.1 | 39% | 0.385 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.2 | -29.3 | 177.6 | 76.3 | 0 | 0 | 0 | 0 | 114.7 | N23 E24 R25 | N23-S27 WeakPolarHBondContact O-CB 3.19Å; N23-S27 PolarHBondContact O-N 2.93Å; E24-S27 WeakPolarHBondContact CA-OG 3.44Å; E24-S27 PolarHBondContact O-N 3.43Å; E24-S27 PolarHBondContact O-OG 2.99Å; R25-S27 VanDerWaalsContact C-N 3.29Å; R25-S27 PolarHBondContact O-N 2.99Å |
| 28 | K | 86 | Confident | 86.9 | Confident | 54 Ų | 54 | 66 Ų | 66 | 24% | 0.235 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -88.2 | -10.9 | 176.1 | -69.3 | -173.1 | -174.8 | 171.6 | 0 | 113.9 | L15 C19 E24 R25 K26 L30 E31 I32 | L15-K28 PolarHBondContact O-NZ 3.17Å; C19-K28 VanDerWaalsContact SG-CE 3.53Å; C19-K28 PolarHBondContact SG-NZ 2.93Å; E24-K28 PolarHBondContact O-N 3.31Å; E24-K28 VanDerWaalsContact O-N 3.12Å; R25-K28 PolarHBondContact O-N 2.72Å; K26-K28 VanDerWaalsContact C-N 3.32Å; K26-K28 PolarHBondContact O-N 3.2Å; K28-L30 PolarHBondContact O-N 3.43Å; K28-L30 VanDerWaalsContact O-N 3.17Å; K28-E31 PolarHBondContact O-N 3.43Å; K28-I32 HydrophobicContact CB-CD1 4.25Å; K28-I32 WeakPolarHBondContact O-CG1 3.44Å; K28-I32 PolarHBondContact O-N 3.18Å; K28-I32 VanDerWaalsContact O-N 3.08Å |
| 29 | A | 90.8 | Very high | 87.2 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 5% | 0.05 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.8 | -31.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R25 K26 I32 A33 Y48 Y52 | R25-A29 PolarHBondContact O-N 3.01Å; R25-A29 VanDerWaalsContact O-N 3.16Å; K26-A29 WeakPolarHBondContact O-CB 3.4Å; K26-A29 PolarHBondContact O-N 3.46Å; A29-I32 PolarHBondContact O-N 3.37Å; A29-A33 WeakPolarHBondContact O-CB 3.27Å; A29-A33 PolarHBondContact O-N 3.22Å; A29-Y48 HydrophobicContact CB-CD1 4.11Å; A29-Y48 WeakPolarHBondContact CB-O 3.42Å; A29-Y52 HydrophobicContact CB-CD2 4.45Å |
| 30 | L | 91.2 | Very high | 87.5 | Confident | 19 Ų | 19 | 64.8 Ų | 64.8 | 10% | 0.099 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.7 | -36.7 | 174.1 | -178.5 | 61.8 | 0 | 0 | 0 | 113.6 | K28 K34 Y52 P61 A62 L65 | K28-L30 PolarHBondContact O-N 3.43Å; K28-L30 VanDerWaalsContact O-N 3.17Å; L30-K34 WeakPolarHBondContact O-CG 3.28Å; L30-K34 PolarHBondContact O-N 2.9Å; L30-Y52 HydrophobicContact CB-CD1 4.22Å; L30-Y52 HydrophobicContact CB-CD2 3.54Å; L30-Y52 HydrophobicContact CB-CE1 4.34Å; L30-Y52 HydrophobicContact CB-CE2 3.68Å; L30-Y52 HydrophobicContact CB-CG 3.85Å; L30-Y52 HydrophobicContact CD2-CE1 4.11Å; L30-Y52 HydrophobicContact CD2-CE2 4.4Å; L30-P61 HydrophobicContact CD2-CB 4.37Å; L30-A62 HydrophobicContact CD1-CB 3.96Å; L30-A62 HydrophobicContact CD2-CB 4.46Å; L30-L65 HydrophobicContact CD1-CD2 3.81Å |
| 31 | E | 89.5 | Confident | 88 | Confident | 124 Ų | 124 | 62 Ų | 62 | 58% | 0.579 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -70.3 | -39.7 | 175 | -63.1 | -179.6 | 161 | 0 | 0 | 110.5 | K28 K34 L35 | K28-E31 PolarHBondContact O-N 3.43Å; E31-K34 PolarHBondContact O-N 2.74Å; E31-L35 PolarHBondContact O-N 3.04Å |
| 32 | I | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 175.5 | -66.5 | 166 | 0 | 0 | 0 | 110.8 | V12 L16 K28 A29 K34 L35 Y36 Y48 | V12-I32 HydrophobicContact CB-CG2 4.49Å; V12-I32 HydrophobicContact CG1-CD1 4.19Å; V12-I32 HydrophobicContact CG1-CG1 4.34Å; V12-I32 HydrophobicContact CG1-CG2 3.83Å; V12-I32 HydrophobicContact CG2-CB 4.48Å; V12-I32 HydrophobicContact CG2-CG1 4.27Å; V12-I32 HydrophobicContact CG2-CG2 3.77Å; L16-I32 HydrophobicContact CD1-CD1 4.49Å; L16-I32 HydrophobicContact CD2-CD1 3.78Å; L16-I32 HydrophobicContact CG-CD1 4.1Å; K28-I32 HydrophobicContact CB-CD1 4.25Å; K28-I32 WeakPolarHBondContact O-CG1 3.44Å; K28-I32 PolarHBondContact O-N 3.18Å; K28-I32 VanDerWaalsContact O-N 3.08Å; A29-I32 PolarHBondContact O-N 3.37Å; I32-K34 VanDerWaalsContact C-N 3.34Å; I32-K34 PolarHBondContact O-N 3.34Å; I32-L35 WeakPolarHBondContact O-CB 3.28Å; I32-L35 PolarHBondContact O-N 2.69Å; I32-L35 VanDerWaalsContact O-N 3.09Å; I32-Y36 HydrophobicContact CG2-CD2 3.71Å; I32-Y36 HydrophobicContact CG2-CE2 3.54Å; I32-Y36 WeakPolarHBondContact O-CD2 3.45Å; I32-Y36 PolarHBondContact O-N 2.72Å; I32-Y48 HydrophobicContact CB-CD1 4.34Å; I32-Y48 HydrophobicContact CD1-CE1 4.47Å; I32-Y48 HydrophobicContact CG2-CD1 3.79Å; I32-Y48 HydrophobicContact CG2-CD2 3.78Å; I32-Y48 HydrophobicContact CG2-CE1 3.72Å; I32-Y48 HydrophobicContact CG2-CE2 3.74Å; I32-Y48 HydrophobicContact CG2-CG 3.83Å |
| 33 | A | 93.7 | Very high | 89 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.6 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A29 L35 Y36 H37 V49 L65 | A29-A33 WeakPolarHBondContact O-CB 3.27Å; A29-A33 PolarHBondContact O-N 3.22Å; A33-L35 VanDerWaalsContact C-N 3.28Å; A33-L35 PolarHBondContact O-N 2.78Å; A33-Y36 PolarHBondContact O-N 3.35Å; A33-H37 WeakPolarHBondContact O-CB 3.41Å; A33-H37 PolarHBondContact O-N 3.3Å; A33-V49 HydrophobicContact CB-CG2 3.39Å; A33-L65 HydrophobicContact CB-CD2 3.96Å |
| 34 | K | 93.2 | Very high | 89.6 | Confident | 116 Ų | 116 | 54.6 Ų | 54.6 | 50% | 0.504 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.4 | -34.4 | 174.6 | -70.8 | 179.8 | 179.9 | -173 | 0 | 112.6 | L30 E31 I32 G38 L65 | L30-K34 WeakPolarHBondContact O-CG 3.28Å; L30-K34 PolarHBondContact O-N 2.9Å; E31-K34 PolarHBondContact O-N 2.74Å; I32-K34 VanDerWaalsContact C-N 3.34Å; I32-K34 PolarHBondContact O-N 3.34Å; K34-G38 PolarHBondContact O-N 3.11Å; K34-G38 VanDerWaalsContact O-N 3.1Å; K34-L65 HydrophobicContact CG-CD1 4.48Å; K34-L65 HydrophobicContact CG-CD2 3.61Å |
| 35 | L | 91.2 | Very high | 90.2 | Very high | 53 Ų | 53 | 50.9 Ų | 50.9 | 28% | 0.277 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.8 | -44.7 | 174.5 | -64.9 | 174.8 | 0 | 0 | 0 | 111.4 | L2 V8 V12 E31 I32 A33 G38 V39 | L2-L35 HydrophobicContact CD1-CD1 4.4Å; L2-L35 HydrophobicContact CD1-CD2 4.4Å; V8-L35 HydrophobicContact CG1-CB 3.83Å; V8-L35 HydrophobicContact CG2-CB 4.43Å; V12-L35 HydrophobicContact CG2-CD1 4.47Å; E31-L35 PolarHBondContact O-N 3.04Å; I32-L35 WeakPolarHBondContact O-CB 3.28Å; I32-L35 PolarHBondContact O-N 2.69Å; I32-L35 VanDerWaalsContact O-N 3.09Å; A33-L35 VanDerWaalsContact C-N 3.28Å; A33-L35 PolarHBondContact O-N 2.78Å; L35-G38 PolarHBondContact O-N 3.45Å; L35-V39 VanDerWaalsContact O-CG2 3.27Å; L35-V39 WeakPolarHBondContact O-CG2 3.36Å; L35-V39 PolarHBondContact O-N 3.14Å |
| 36 | Y | 94.2 | Very high | 90.7 | Very high | 13 Ų | 13 | 47 Ų | 47 | 5% | 0.051 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.6 | -38.3 | 177.5 | -77.6 | -67 | 0 | 0 | 0 | 113.1 | V8 D9 V12 I32 A33 G38 V39 S40 E41 T44 Y48 | V8-Y36 HydrophobicContact CG1-CD1 3.93Å; V8-Y36 HydrophobicContact CG1-CD2 4.4Å; V8-Y36 HydrophobicContact CG1-CE1 3.76Å; V8-Y36 HydrophobicContact CG1-CE2 4.26Å; V8-Y36 HydrophobicContact CG1-CG 4.24Å; D9-Y36 VanDerWaalsContact OD1-CE1 3.28Å; D9-Y36 WeakPolarHBondContact OD1-CE1 3.03Å; D9-Y36 PolarHBondContact OD1-OH 3.1Å; V12-Y36 HydrophobicContact CG1-CE2 4.34Å; V12-Y36 HydrophobicContact CG2-CE2 3.92Å; I32-Y36 HydrophobicContact CG2-CD2 3.71Å; I32-Y36 HydrophobicContact CG2-CE2 3.54Å; I32-Y36 WeakPolarHBondContact O-CD2 3.45Å; I32-Y36 PolarHBondContact O-N 2.72Å; A33-Y36 PolarHBondContact O-N 3.35Å; Y36-G38 VanDerWaalsContact C-N 3.3Å; Y36-G38 PolarHBondContact O-N 3.12Å; Y36-V39 CarbonylContact O-C 3.47Å; Y36-V39 PolarHBondContact O-N 3.22Å; Y36-V39 VanDerWaalsContact O-N 3.15Å; Y36-S40 PolarHBondContact O-N 3.12Å; Y36-E41 HydrophobicContact CD1-CB 3.99Å; Y36-E41 PolarHBondContact O-N 3.35Å; Y36-T44 WeakPolarHBondContact CB-OG1 3.23Å; Y36-T44 VanDerWaalsContact CD1-OG1 3.31Å; Y36-T44 WeakPolarHBondContact CD1-OG1 3.29Å; Y36-T44 VanDerWaalsContact CG-OG1 3.3Å; Y36-Y48 AromaticContact CD2-CD2 3.77Å; Y36-Y48 HydrophobicContact CD2-CD2 3.77Å; Y36-Y48 AromaticContact CD2-CE2 3.75Å; Y36-Y48 HydrophobicContact CD2-CE2 3.75Å; Y36-Y48 AromaticContact CE2-CD2 3.89Å; Y36-Y48 HydrophobicContact CE2-CD2 3.89Å; Y36-Y48 AromaticContact CE2-CE2 3.35Å; Y36-Y48 HydrophobicContact CE2-CE2 3.35Å |
| 37 | H | 92.9 | Very high | 91.1 | Very high | 49 Ų | 49 | 47.9 Ų | 47.9 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.9 | -42.8 | 170.9 | -179.3 | -104.8 | 0 | 0 | 0 | 111.5 | A33 V39 S40 F42 A45 L65 D72 | A33-H37 WeakPolarHBondContact O-CB 3.41Å; A33-H37 PolarHBondContact O-N 3.3Å; H37-V39 PolarHBondContact O-N 3.37Å; H37-V39 VanDerWaalsContact O-N 3.15Å; H37-S40 PolarHBondContact O-N 2.79Å; H37-F42 AromaticContact CD2-CD1 3.8Å; H37-F42 AromaticContact CD2-CE1 3.68Å; H37-F42 AromaticContact NE2-CE1 3.95Å; H37-A45 HydrophobicContact CB-CB 4.3Å; H37-L65 HydrophobicContact CB-CD1 4.47Å; H37-D72 IonicContact CD2-OD2 3.54Å; H37-D72 IonicContact CE1-OD2 2.72Å; H37-D72 IonicContact NE2-OD2 3.7Å; H37-D72 PolarHBondContact NE2-OD2 3.46Å |
| 38 | G | 88.8 | Confident | 91.6 | Very high | 64 Ų | 64 | 48.6 Ų | 48.6 | 66% | 0.66 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -6.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | K34 L35 Y36 | K34-G38 PolarHBondContact O-N 3.11Å; K34-G38 VanDerWaalsContact O-N 3.1Å; L35-G38 PolarHBondContact O-N 3.45Å; Y36-G38 VanDerWaalsContact C-N 3.3Å; Y36-G38 PolarHBondContact O-N 3.12Å |
| 39 | V | 90.4 | Very high | 92 | Very high | 31 Ų | 31 | 46 Ų | 46 | 19% | 0.188 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 18.1 | 167.8 | -93.1 | 0 | 0 | 0 | 0 | 112.5 | V8 L35 Y36 H37 E41 | V8-V39 HydrophobicContact CB-CG2 4.31Å; V8-V39 HydrophobicContact CG2-CG2 3.79Å; L35-V39 VanDerWaalsContact O-CG2 3.27Å; L35-V39 WeakPolarHBondContact O-CG2 3.36Å; L35-V39 PolarHBondContact O-N 3.14Å; Y36-V39 CarbonylContact O-C 3.47Å; Y36-V39 PolarHBondContact O-N 3.22Å; Y36-V39 VanDerWaalsContact O-N 3.15Å; H37-V39 PolarHBondContact O-N 3.37Å; H37-V39 VanDerWaalsContact O-N 3.15Å; V39-E41 PolarHBondContact O-N 3.43Å |
| 40 | S | 89.4 | Confident | 92.1 | Very high | 83 Ų | 83 | 49.7 Ų | 49.7 | 58% | 0.58 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 25.2 | 177.8 | -51.5 | 0 | 0 | 0 | 0 | 114.8 | Y36 H37 F42 | Y36-S40 PolarHBondContact O-N 3.12Å; H37-S40 PolarHBondContact O-N 2.79Å; S40-F42 VanDerWaalsContact C-N 3.29Å; S40-F42 WeakPolarHBondContact O-CD2 3.45Å; S40-F42 PolarHBondContact O-N 3.38Å |
| 41 | E | 91.3 | Very high | 91.9 | Very high | 56 Ų | 56 | 49.8 Ų | 49.8 | 26% | 0.262 | 29% | 0.285 | S | S | . | . | trans | -92 | 56.8 | 180 | -75.2 | -77.2 | 173.8 | 0 | 0 | 111.1 | K5 Y36 V39 A43 T44 A45 | K5-E41 HydrophobicContact CD-CG 4.32Å; K5-E41 WeakPolarHBondContact CD-OE1 3.49Å; K5-E41 WeakPolarHBondContact CE-OE1 3.48Å; K5-E41 WeakPolarHBondContact CE-OE2 3.4Å; K5-E41 HydrophobicContact CG-CG 4.22Å; K5-E41 IonicContact NZ-OE1 3.85Å; K5-E41 PolarHBondContact NZ-OE1 3.38Å; K5-E41 IonicContact NZ-OE2 3.54Å; K5-E41 PolarHBondContact NZ-OE2 3.27Å; Y36-E41 HydrophobicContact CD1-CB 3.99Å; Y36-E41 PolarHBondContact O-N 3.35Å; V39-E41 PolarHBondContact O-N 3.43Å; E41-A43 PolarHBondContact O-N 3.08Å; E41-T44 PolarHBondContact O-N 3.27Å; E41-T44 VanDerWaalsContact O-N 3.11Å; E41-T44 PolarHBondContact O-OG1 2.89Å; E41-A45 PolarHBondContact O-N 2.9Å | ||
| 42 | F | 94.2 | Very high | 92.1 | Very high | 51 Ų | 51 | 44.5 Ų | 44.5 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.4 | -42.1 | -163.3 | -55.6 | -59.5 | 0 | 0 | 0 | 115 | H37 S40 T44 A45 K46 I69 D72 M73 | H37-F42 AromaticContact CD2-CD1 3.8Å; H37-F42 AromaticContact CD2-CE1 3.68Å; H37-F42 AromaticContact NE2-CE1 3.95Å; S40-F42 VanDerWaalsContact C-N 3.29Å; S40-F42 WeakPolarHBondContact O-CD2 3.45Å; S40-F42 PolarHBondContact O-N 3.38Å; F42-T44 VanDerWaalsContact C-N 3.33Å; F42-T44 PolarHBondContact O-N 3.45Å; F42-A45 WeakPolarHBondContact O-CB 3.13Å; F42-A45 PolarHBondContact O-N 2.69Å; F42-K46 WeakPolarHBondContact O-CB 3.44Å; F42-K46 PolarHBondContact O-N 2.88Å; F42-I69 HydrophobicContact CB-CG2 4.3Å; F42-D72 HydrophobicContact CD1-CB 4.01Å; F42-D72 HydrophobicContact CE1-CB 3.65Å; F42-D72 HydrophobicContact CE2-CB 4.26Å; F42-D72 HydrophobicContact CG-CB 4.46Å; F42-D72 HydrophobicContact CZ-CB 3.79Å; F42-M73 HydrophobicContact CB-CG 3.52Å; F42-M73 HydrophobicContact CB-SD 3.86Å; F42-M73 HydrophobicContact CG-CG 4.24Å |
| 43 | A | 91.2 | Very high | 92 | Very high | 67 Ų | 67 | 45.4 Ų | 45.4 | 55% | 0.554 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62 | -39.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E41 S47 | E41-A43 PolarHBondContact O-N 3.08Å; A43-S47 PolarHBondContact O-N 3.19Å |
| 44 | T | 90.9 | Very high | 91.7 | Very high | 46 Ų | 46 | 52.4 Ų | 52.4 | 28% | 0.282 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70 | -41.3 | 175.3 | 71 | 0 | 0 | 0 | 0 | 111 | Y36 E41 F42 K46 S47 Y48 | Y36-T44 WeakPolarHBondContact CB-OG1 3.23Å; Y36-T44 VanDerWaalsContact CD1-OG1 3.31Å; Y36-T44 WeakPolarHBondContact CD1-OG1 3.29Å; Y36-T44 VanDerWaalsContact CG-OG1 3.3Å; E41-T44 PolarHBondContact O-N 3.27Å; E41-T44 VanDerWaalsContact O-N 3.11Å; E41-T44 PolarHBondContact O-OG1 2.89Å; F42-T44 VanDerWaalsContact C-N 3.33Å; F42-T44 PolarHBondContact O-N 3.45Å; T44-K46 PolarHBondContact O-N 2.07Å; T44-S47 PolarHBondContact O-N 2.77Å; T44-Y48 VanDerWaalsContact O-CD2 3.24Å; T44-Y48 WeakPolarHBondContact O-CD2 3.49Å; T44-Y48 PolarHBondContact O-N 2.84Å; T44-Y48 VanDerWaalsContact O-N 3.08Å |
| 45 | A | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.1 | -47 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | H37 E41 F42 S47 Y48 V49 I69 | H37-A45 HydrophobicContact CB-CB 4.3Å; E41-A45 PolarHBondContact O-N 2.9Å; F42-A45 WeakPolarHBondContact O-CB 3.13Å; F42-A45 PolarHBondContact O-N 2.69Å; A45-S47 PolarHBondContact O-N 3.07Å; A45-Y48 PolarHBondContact O-N 3.28Å; A45-V49 WeakPolarHBondContact O-CG2 3.4Å; A45-V49 PolarHBondContact O-N 3.48Å; A45-I69 HydrophobicContact CB-CD1 3.67Å; A45-I69 HydrophobicContact CB-CG1 4.32Å |
| 46 | K | 94.8 | Very high | 91.2 | Very high | 40 Ų | 40 | 54.3 Ų | 54.3 | 17% | 0.174 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.2 | -52.8 | 175.6 | -176 | 168.5 | 178.9 | 174.2 | 0 | 111.3 | F42 T44 Y48 V49 E50 L66 I69 M73 D75 | F42-K46 WeakPolarHBondContact O-CB 3.44Å; F42-K46 PolarHBondContact O-N 2.88Å; T44-K46 PolarHBondContact O-N 2.07Å; K46-Y48 VanDerWaalsContact C-N 3.34Å; K46-Y48 PolarHBondContact O-N 3.2Å; K46-V49 PolarHBondContact O-N 3.16Å; K46-E50 WeakPolarHBondContact CE-OE1 3.47Å; K46-E50 HydrophobicContact CG-CG 4.37Å; K46-E50 WeakPolarHBondContact CG-OE1 3.5Å; K46-E50 WeakPolarHBondContact O-CG 3.42Å; K46-E50 PolarHBondContact O-N 3.33Å; K46-L66 HydrophobicContact CG-CD1 3.94Å; K46-I69 HydrophobicContact CB-CG2 3.89Å; K46-M73 HydrophobicContact CB-SD 4.44Å; K46-M73 HydrophobicContact CD-CE 4.33Å; K46-M73 HydrophobicContact CD-SD 4.01Å; K46-D75 IonicContact NZ-OD2 3.51Å; K46-D75 PolarHBondContact NZ-OD2 3.23Å |
| 47 | S | 92.5 | Very high | 90.9 | Very high | 78 Ų | 78 | 57 Ų | 57 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.1 | -41.5 | 178.4 | -176.3 | 0 | 0 | 0 | 0 | 113 | A43 T44 A45 G51 | A43-S47 PolarHBondContact O-N 3.19Å; T44-S47 PolarHBondContact O-N 2.77Å; A45-S47 PolarHBondContact O-N 3.07Å; S47-G51 PolarHBondContact O-N 3.47Å |
| 48 | Y | 92.4 | Very high | 90.6 | Very high | 70 Ų | 70 | 60.5 Ų | 60.5 | 28% | 0.275 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.8 | -34.9 | 174.7 | -81.9 | -70.5 | 0 | 0 | 0 | 113.2 | A29 I32 Y36 T44 A45 K46 Y52 | A29-Y48 HydrophobicContact CB-CD1 4.11Å; A29-Y48 WeakPolarHBondContact CB-O 3.42Å; I32-Y48 HydrophobicContact CB-CD1 4.34Å; I32-Y48 HydrophobicContact CD1-CE1 4.47Å; I32-Y48 HydrophobicContact CG2-CD1 3.79Å; I32-Y48 HydrophobicContact CG2-CD2 3.78Å; I32-Y48 HydrophobicContact CG2-CE1 3.72Å; I32-Y48 HydrophobicContact CG2-CE2 3.74Å; I32-Y48 HydrophobicContact CG2-CG 3.83Å; Y36-Y48 AromaticContact CD2-CD2 3.77Å; Y36-Y48 HydrophobicContact CD2-CD2 3.77Å; Y36-Y48 AromaticContact CD2-CE2 3.75Å; Y36-Y48 HydrophobicContact CD2-CE2 3.75Å; Y36-Y48 AromaticContact CE2-CD2 3.89Å; Y36-Y48 HydrophobicContact CE2-CD2 3.89Å; Y36-Y48 AromaticContact CE2-CE2 3.35Å; Y36-Y48 HydrophobicContact CE2-CE2 3.35Å; T44-Y48 VanDerWaalsContact O-CD2 3.24Å; T44-Y48 WeakPolarHBondContact O-CD2 3.49Å; T44-Y48 PolarHBondContact O-N 2.84Å; T44-Y48 VanDerWaalsContact O-N 3.08Å; A45-Y48 PolarHBondContact O-N 3.28Å; K46-Y48 VanDerWaalsContact C-N 3.34Å; K46-Y48 PolarHBondContact O-N 3.2Å; Y48-Y52 WeakPolarHBondContact O-CB 3.29Å; Y48-Y52 PolarHBondContact O-N 2.81Å; Y48-Y52 VanDerWaalsContact O-N 3.09Å |
| 49 | V | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.8 | -44.1 | 174.8 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | A33 A45 K46 Y52 L53 A62 L65 L66 I69 | A33-V49 HydrophobicContact CB-CG2 3.39Å; A45-V49 WeakPolarHBondContact O-CG2 3.4Å; A45-V49 PolarHBondContact O-N 3.48Å; K46-V49 PolarHBondContact O-N 3.16Å; V49-Y52 WeakPolarHBondContact O-CB 3.31Å; V49-Y52 PolarHBondContact O-N 3.43Å; V49-Y52 VanDerWaalsContact O-N 3.13Å; V49-L53 HydrophobicContact CG1-CD1 4.08Å; V49-L53 HydrophobicContact CG1-CG 4.37Å; V49-L53 WeakPolarHBondContact O-CG 3.25Å; V49-L53 PolarHBondContact O-N 3.42Å; V49-A62 HydrophobicContact CG1-CB 4.08Å; V49-A62 VanDerWaalsContact CG1-O 3.28Å; V49-A62 WeakPolarHBondContact CG1-O 3.23Å; V49-L65 HydrophobicContact CG2-CD2 3.76Å; V49-L65 HydrophobicContact CG2-CG 4.09Å; V49-L66 HydrophobicContact CB-CD1 4.47Å; V49-L66 HydrophobicContact CG1-CB 3.88Å; V49-L66 HydrophobicContact CG1-CD1 4.36Å; V49-I69 HydrophobicContact CG2-CD1 3.86Å |
| 50 | E | 92 | Very high | 90.6 | Very high | 84 Ų | 84 | 59.1 Ų | 59.1 | 39% | 0.393 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | 177.4 | -71.2 | 171.7 | 165.4 | 0 | 0 | 110.8 | K46 Y52 L53 E54 L66 | K46-E50 WeakPolarHBondContact CE-OE1 3.47Å; K46-E50 HydrophobicContact CG-CG 4.37Å; K46-E50 WeakPolarHBondContact CG-OE1 3.5Å; K46-E50 WeakPolarHBondContact O-CG 3.42Å; K46-E50 PolarHBondContact O-N 3.33Å; E50-Y52 PolarHBondContact O-N 3.47Å; E50-L53 PolarHBondContact O-N 3.34Å; E50-E54 PolarHBondContact O-N 3.25Å; E50-L66 HydrophobicContact CG-CD1 4.33Å |
| 51 | G | 88.2 | Confident | 90.5 | Very high | 21 Ų | 21 | 58.7 Ų | 58.7 | 22% | 0.216 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64 | -24 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | S47 | S47-G51 PolarHBondContact O-N 3.47Å |
| 52 | Y | 92.1 | Very high | 90.5 | Very high | 13 Ų | 13 | 56 Ų | 56 | 5% | 0.051 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -76 | -41.3 | 168.9 | -179.9 | -83.7 | 0 | 0 | 0 | 111.6 | K26 A29 L30 Y48 V49 E50 E54 F55 R56 S59 A62 | K26-Y52 WeakPolarHBondContact O-CD2 3.38Å; A29-Y52 HydrophobicContact CB-CD2 4.45Å; L30-Y52 HydrophobicContact CB-CD1 4.22Å; L30-Y52 HydrophobicContact CB-CD2 3.54Å; L30-Y52 HydrophobicContact CB-CE1 4.34Å; L30-Y52 HydrophobicContact CB-CE2 3.68Å; L30-Y52 HydrophobicContact CB-CG 3.85Å; L30-Y52 HydrophobicContact CD2-CE1 4.11Å; L30-Y52 HydrophobicContact CD2-CE2 4.4Å; Y48-Y52 WeakPolarHBondContact O-CB 3.29Å; Y48-Y52 PolarHBondContact O-N 2.81Å; Y48-Y52 VanDerWaalsContact O-N 3.09Å; V49-Y52 WeakPolarHBondContact O-CB 3.31Å; V49-Y52 PolarHBondContact O-N 3.43Å; V49-Y52 VanDerWaalsContact O-N 3.13Å; E50-Y52 PolarHBondContact O-N 3.47Å; Y52-E54 VanDerWaalsContact C-N 3.34Å; Y52-E54 PolarHBondContact O-N 2.86Å; Y52-F55 WeakPolarHBondContact O-CB 3.45Å; Y52-F55 PolarHBondContact O-N 3.45Å; Y52-R56 HydrophobicContact CE1-CB 3.94Å; Y52-R56 PolarHBondContact O-N 3.07Å; Y52-R56 WeakPolarHBondContact OH-CD 3.1Å; Y52-S59 WeakPolarHBondContact CE1-OG 3.37Å; Y52-A62 HydrophobicContact CD1-CB 3.71Å; Y52-A62 HydrophobicContact CE1-CB 3.94Å |
| 53 | L | 90.7 | Very high | 90.5 | Very high | 18 Ų | 18 | 55.6 Ų | 55.6 | 9% | 0.094 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.5 | -33.6 | 178.7 | -75 | 171.8 | 0 | 0 | 0 | 112.5 | V49 E50 F55 R56 P57 A62 Y63 L66 | V49-L53 HydrophobicContact CG1-CD1 4.08Å; V49-L53 HydrophobicContact CG1-CG 4.37Å; V49-L53 WeakPolarHBondContact O-CG 3.25Å; V49-L53 PolarHBondContact O-N 3.42Å; E50-L53 PolarHBondContact O-N 3.34Å; L53-F55 PolarHBondContact O-N 3.29Å; L53-R56 CarbonylContact O-C 3.58Å; L53-R56 PolarHBondContact O-N 2.93Å; L53-P57 WeakPolarHBondContact O-CA 3.41Å; L53-P57 WeakPolarHBondContact O-CD 3.32Å; L53-A62 HydrophobicContact CD2-CB 3.65Å; L53-A62 HydrophobicContact CG-CB 4.02Å; L53-Y63 HydrophobicContact CD1-CD1 4.24Å; L53-Y63 HydrophobicContact CD1-CE1 4.01Å; L53-Y63 HydrophobicContact CD2-CD2 3.76Å; L53-Y63 HydrophobicContact CD2-CE1 4.38Å; L53-Y63 HydrophobicContact CD2-CE2 3.43Å; L53-Y63 VanDerWaalsContact CD2-CE2 3.43Å; L53-Y63 HydrophobicContact CD2-CG 4.36Å; L53-L66 HydrophobicContact CD1-CD2 3.72Å |
| 54 | E | 87.1 | Confident | 90.4 | Very high | 147 Ų | 147 | 55.6 Ų | 55.6 | 69% | 0.687 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -32.7 | 168.5 | -70.1 | -174.9 | 157.2 | 0 | 0 | 113.2 | K26 E50 Y52 | K26-E54 IonicContact NZ-OE2 2.87Å; K26-E54 PolarHBondContact NZ-OE2 2.84Å; E50-E54 PolarHBondContact O-N 3.25Å; Y52-E54 VanDerWaalsContact C-N 3.34Å; Y52-E54 PolarHBondContact O-N 2.86Å |
| 55 | F | 85.6 | Confident | 90.5 | Very high | 74 Ų | 74 | 54.3 Ų | 54.3 | 33% | 0.325 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -31.6 | -178.4 | 177.1 | -109.5 | 0 | 0 | 0 | 112.7 | N23 K26 Y52 L53 | N23-F55 HydrophobicContact CB-CE2 4.2Å; N23-F55 HydrophobicContact CB-CZ 4.4Å; K26-F55 HydrophobicContact CB-CB 3.96Å; K26-F55 HydrophobicContact CB-CD1 4.2Å; K26-F55 HydrophobicContact CB-CD2 4.42Å; K26-F55 HydrophobicContact CB-CG 3.95Å; K26-F55 HydrophobicContact CD-CB 3.84Å; K26-F55 HydrophobicContact CD-CG 4.43Å; Y52-F55 WeakPolarHBondContact O-CB 3.45Å; Y52-F55 PolarHBondContact O-N 3.45Å; L53-F55 PolarHBondContact O-N 3.29Å |
| 56 | R | 88.8 | Confident | 90.5 | Very high | 136 Ų | 136 | 54.8 Ų | 54.8 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | trans | -136.8 | 80.7 | 176.8 | -78.9 | -176.9 | 168.1 | -178.4 | -4.4 | 110.6 | Y52 L53 D58 S59 | Y52-R56 HydrophobicContact CE1-CB 3.94Å; Y52-R56 PolarHBondContact O-N 3.07Å; Y52-R56 WeakPolarHBondContact OH-CD 3.1Å; L53-R56 CarbonylContact O-C 3.58Å; L53-R56 PolarHBondContact O-N 2.93Å; R56-D58 PolarHBondContact O-N 2.72Å; R56-D58 VanDerWaalsContact O-N 3.17Å; R56-S59 VanDerWaalsContact O-CB 3.32Å; R56-S59 WeakPolarHBondContact O-CB 3.34Å; R56-S59 PolarHBondContact O-N 2.8Å | ||
| 57 | P | 87.8 | Confident | 90.3 | Very high | 69 Ų | 69 | 52.9 Ų | 52.9 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -10.6 | -175 | 28.2 | -36.6 | 0 | 0 | 0 | 114.1 | L53 Y63 | L53-P57 WeakPolarHBondContact O-CA 3.41Å; L53-P57 WeakPolarHBondContact O-CD 3.32Å; P57-Y63 VanDerWaalsContact O-CE2 3.26Å; P57-Y63 WeakPolarHBondContact O-CE2 3.39Å; P57-Y63 PolarHBondContact O-OH 3.03Å |
| 58 | D | 86.5 | Confident | 90.3 | Very high | 123 Ų | 123 | 52 Ų | 52 | 66% | 0.658 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 11.1 | 179 | -51 | -47.2 | 0 | 0 | 0 | 112.9 | R56 V60 L89 | R56-D58 PolarHBondContact O-N 2.72Å; R56-D58 VanDerWaalsContact O-N 3.17Å; D58-V60 PolarHBondContact O-N 2.83Å; D58-V60 VanDerWaalsContact O-N 3.11Å; D58-L89 HydrophobicContact CB-CD2 4.45Å |
| 59 | S | 89.2 | Confident | 90.3 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 11% | 0.112 | 25% | 0.25 | C | S | . | . | trans | -83.1 | 93.4 | -169.3 | -178.6 | 0 | 0 | 0 | 0 | 113.6 | Y52 R56 A62 Y63 | Y52-S59 WeakPolarHBondContact CE1-OG 3.37Å; R56-S59 VanDerWaalsContact O-CB 3.32Å; R56-S59 WeakPolarHBondContact O-CB 3.34Å; R56-S59 PolarHBondContact O-N 2.8Å; S59-A62 WeakPolarHBondContact O-CA 3.27Å; S59-A62 WeakPolarHBondContact O-CB 3.48Å; S59-A62 PolarHBondContact O-N 2.87Å; S59-Y63 PolarHBondContact O-N 2.96Å | ||
| 60 | V | 89 | Confident | 90.3 | Very high | 50 Ų | 50 | 49.1 Ų | 49.1 | 30% | 0.303 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -43.5 | -52.2 | 174.6 | 171.9 | 0 | 0 | 0 | 0 | 113.8 | D58 A62 Y63 T64 L86 T90 | D58-V60 PolarHBondContact O-N 2.83Å; D58-V60 VanDerWaalsContact O-N 3.11Å; V60-A62 PolarHBondContact O-N 3.22Å; V60-A62 VanDerWaalsContact O-N 3.12Å; V60-Y63 PolarHBondContact O-N 2.8Å; V60-Y63 VanDerWaalsContact O-N 3.16Å; V60-T64 PolarHBondContact O-N 3.45Å; V60-T64 PolarHBondContact O-OG1 3.35Å; V60-T64 VanDerWaalsContact O-OG1 3.09Å; V60-L86 HydrophobicContact CB-CD1 4.5Å; V60-L86 HydrophobicContact CG1-CD1 4.01Å; V60-T90 HydrophobicContact CG1-CG2 4.5Å; V60-T90 HydrophobicContact CG2-CG2 3.38Å |
| 61 | P | 88.1 | Confident | 90.3 | Very high | 73 Ų | 73 | 45.9 Ų | 45.9 | 47% | 0.474 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.1 | -18 | -179.1 | -20.7 | 34.2 | 0 | 0 | 0 | 114.7 | L30 L65 | L30-P61 HydrophobicContact CD2-CB 4.37Å; P61-L65 WeakPolarHBondContact O-CB 3.28Å; P61-L65 PolarHBondContact O-N 2.9Å |
| 62 | A | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -81.4 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L30 V49 Y52 L53 S59 V60 L65 L66 | L30-A62 HydrophobicContact CD1-CB 3.96Å; L30-A62 HydrophobicContact CD2-CB 4.46Å; V49-A62 HydrophobicContact CG1-CB 4.08Å; V49-A62 VanDerWaalsContact CG1-O 3.28Å; V49-A62 WeakPolarHBondContact CG1-O 3.23Å; Y52-A62 HydrophobicContact CD1-CB 3.71Å; Y52-A62 HydrophobicContact CE1-CB 3.94Å; L53-A62 HydrophobicContact CD2-CB 3.65Å; L53-A62 HydrophobicContact CG-CB 4.02Å; S59-A62 WeakPolarHBondContact O-CA 3.27Å; S59-A62 WeakPolarHBondContact O-CB 3.48Å; S59-A62 PolarHBondContact O-N 2.87Å; V60-A62 PolarHBondContact O-N 3.22Å; V60-A62 VanDerWaalsContact O-N 3.12Å; A62-L65 PolarHBondContact O-N 3.3Å; A62-L66 WeakPolarHBondContact O-CB 3.3Å; A62-L66 PolarHBondContact O-N 2.86Å |
| 63 | Y | 93.3 | Very high | 90.3 | Very high | 42 Ų | 42 | 49.4 Ų | 49.4 | 17% | 0.165 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65 | -38.2 | 171.5 | -75.7 | -76.6 | 0 | 0 | 0 | 113.3 | L53 P57 S59 V60 L65 L66 A67 T82 L89 | L53-Y63 HydrophobicContact CD1-CD1 4.24Å; L53-Y63 HydrophobicContact CD1-CE1 4.01Å; L53-Y63 HydrophobicContact CD2-CD2 3.76Å; L53-Y63 HydrophobicContact CD2-CE1 4.38Å; L53-Y63 HydrophobicContact CD2-CE2 3.43Å; L53-Y63 VanDerWaalsContact CD2-CE2 3.43Å; L53-Y63 HydrophobicContact CD2-CG 4.36Å; P57-Y63 VanDerWaalsContact O-CE2 3.26Å; P57-Y63 WeakPolarHBondContact O-CE2 3.39Å; P57-Y63 PolarHBondContact O-OH 3.03Å; S59-Y63 PolarHBondContact O-N 2.96Å; V60-Y63 PolarHBondContact O-N 2.8Å; V60-Y63 VanDerWaalsContact O-N 3.16Å; Y63-L65 VanDerWaalsContact C-N 3.33Å; Y63-L65 PolarHBondContact O-N 2.84Å; Y63-L66 PolarHBondContact O-N 3.37Å; Y63-A67 WeakPolarHBondContact O-CB 3.39Å; Y63-A67 PolarHBondContact O-N 3.06Å; Y63-T82 HydrophobicContact CD1-CG2 4.41Å; Y63-L89 HydrophobicContact CD2-CD1 3.46Å; Y63-L89 VanDerWaalsContact CD2-CD1 3.46Å; Y63-L89 HydrophobicContact CE2-CD1 3.23Å; Y63-L89 HydrophobicContact CG-CD1 4.38Å |
| 64 | T | 90.6 | Very high | 90.1 | Very high | 67 Ų | 67 | 54.8 Ų | 54.8 | 41% | 0.411 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 174.8 | -51.5 | 0 | 0 | 0 | 0 | 111.4 | V60 K68 | V60-T64 PolarHBondContact O-N 3.45Å; V60-T64 PolarHBondContact O-OG1 3.35Å; V60-T64 VanDerWaalsContact O-OG1 3.09Å; T64-K68 PolarHBondContact O-N 2.99Å |
| 65 | L | 91.6 | Very high | 90.2 | Very high | 20 Ų | 20 | 49.1 Ų | 49.1 | 11% | 0.105 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.9 | -38.9 | 175.2 | -176.5 | 61.9 | 0 | 0 | 0 | 111.8 | L30 A33 K34 H37 V49 P61 A62 Y63 K68 I69 | L30-L65 HydrophobicContact CD1-CD2 3.81Å; A33-L65 HydrophobicContact CB-CD2 3.96Å; K34-L65 HydrophobicContact CG-CD1 4.48Å; K34-L65 HydrophobicContact CG-CD2 3.61Å; H37-L65 HydrophobicContact CB-CD1 4.47Å; V49-L65 HydrophobicContact CG2-CD2 3.76Å; V49-L65 HydrophobicContact CG2-CG 4.09Å; P61-L65 WeakPolarHBondContact O-CB 3.28Å; P61-L65 PolarHBondContact O-N 2.9Å; A62-L65 PolarHBondContact O-N 3.3Å; Y63-L65 VanDerWaalsContact C-N 3.33Å; Y63-L65 PolarHBondContact O-N 2.84Å; L65-K68 PolarHBondContact O-N 3.26Å; L65-I69 HydrophobicContact CD1-CD1 4.15Å; L65-I69 HydrophobicContact CD1-CG1 4.35Å; L65-I69 HydrophobicContact CD2-CD1 4.4Å; L65-I69 HydrophobicContact CG-CD1 3.75Å; L65-I69 HydrophobicContact CG-CG1 4.39Å; L65-I69 WeakPolarHBondContact O-CB 3.43Å; L65-I69 WeakPolarHBondContact O-CD1 3.43Å; L65-I69 VanDerWaalsContact O-CG1 3.23Å; L65-I69 WeakPolarHBondContact O-CG1 3.29Å; L65-I69 PolarHBondContact O-N 3.12Å |
| 66 | L | 94.1 | Very high | 90.3 | Very high | 9 Ų | 9 | 47.8 Ų | 47.8 | 5% | 0.047 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 177 | -171.6 | 58.1 | 0 | 0 | 0 | 111.7 | K46 V49 E50 L53 A62 Y63 K68 I69 Q70 T82 | K46-L66 HydrophobicContact CG-CD1 3.94Å; V49-L66 HydrophobicContact CB-CD1 4.47Å; V49-L66 HydrophobicContact CG1-CB 3.88Å; V49-L66 HydrophobicContact CG1-CD1 4.36Å; E50-L66 HydrophobicContact CG-CD1 4.33Å; L53-L66 HydrophobicContact CD1-CD2 3.72Å; A62-L66 WeakPolarHBondContact O-CB 3.3Å; A62-L66 PolarHBondContact O-N 2.86Å; Y63-L66 PolarHBondContact O-N 3.37Å; L66-K68 PolarHBondContact O-N 2.93Å; L66-I69 PolarHBondContact O-N 2.81Å; L66-Q70 HydrophobicContact CD1-CG 4.49Å; L66-Q70 WeakPolarHBondContact O-CB 3.44Å; L66-Q70 VanDerWaalsContact O-CG 3.29Å; L66-Q70 WeakPolarHBondContact O-CG 3.11Å; L66-Q70 PolarHBondContact O-N 3.45Å; L66-Q70 PolarHBondContact O-OE1 2.94Å; L66-T82 HydrophobicContact CD2-CG2 3.64Å; L66-T82 HydrophobicContact CG-CG2 3.95Å |
| 67 | A | 91.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y63 Q70 E71 T82 Y83 | Y63-A67 WeakPolarHBondContact O-CB 3.39Å; Y63-A67 PolarHBondContact O-N 3.06Å; A67-Q70 PolarHBondContact O-N 2.97Å; A67-E71 WeakPolarHBondContact O-CG 3.44Å; A67-E71 PolarHBondContact O-N 2.71Å; A67-T82 WeakPolarHBondContact CA-OG1 3.2Å; A67-T82 WeakPolarHBondContact CB-OG1 3.26Å; A67-Y83 HydrophobicContact CB-CD1 4.25Å; A67-Y83 HydrophobicContact CB-CD2 4.46Å; A67-Y83 HydrophobicContact CB-CE1 3.81Å; A67-Y83 HydrophobicContact CB-CE2 4.06Å |
| 68 | K | 91.2 | Very high | 90.3 | Very high | 59 Ų | 59 | 42.5 Ų | 42.5 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.4 | -40.2 | 176.2 | -166.8 | 68.4 | -159.2 | 130.8 | 0 | 112.8 | T64 L65 L66 Q70 E71 D72 D1634 | T64-K68 PolarHBondContact O-N 2.99Å; L65-K68 PolarHBondContact O-N 3.26Å; L66-K68 PolarHBondContact O-N 2.93Å; K68-Q70 PolarHBondContact O-N 2.93Å; K68-E71 WeakPolarHBondContact CD-OE2 3.39Å; K68-E71 IonicContact NZ-OE2 2.69Å; K68-E71 PolarHBondContact NZ-OE2 3.44Å; K68-E71 PolarHBondContact O-N 3.01Å; K68-D72 WeakPolarHBondContact CE-OD1 3.34Å; K68-D72 IonicContact NZ-OD1 3.53Å; K68-D72 PolarHBondContact NZ-OD1 3.12Å; K68-D72 WeakPolarHBondContact O-CB 3.26Å; K68-D72 PolarHBondContact O-N 3.26Å; K68-D1634 IonicContact NZ-OD1 2.79Å; K68-D1634 PolarHBondContact NZ-OD1 3.01Å |
| 69 | I | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.9 | -36.5 | 172.7 | -71.3 | 164.2 | 0 | 0 | 0 | 111.3 | F42 A45 K46 V49 L65 L66 M73 | F42-I69 HydrophobicContact CB-CG2 4.3Å; A45-I69 HydrophobicContact CB-CD1 3.67Å; A45-I69 HydrophobicContact CB-CG1 4.32Å; K46-I69 HydrophobicContact CB-CG2 3.89Å; V49-I69 HydrophobicContact CG2-CD1 3.86Å; L65-I69 HydrophobicContact CD1-CD1 4.15Å; L65-I69 HydrophobicContact CD1-CG1 4.35Å; L65-I69 HydrophobicContact CD2-CD1 4.4Å; L65-I69 HydrophobicContact CG-CD1 3.75Å; L65-I69 HydrophobicContact CG-CG1 4.39Å; L65-I69 WeakPolarHBondContact O-CB 3.43Å; L65-I69 WeakPolarHBondContact O-CD1 3.43Å; L65-I69 VanDerWaalsContact O-CG1 3.23Å; L65-I69 WeakPolarHBondContact O-CG1 3.29Å; L65-I69 PolarHBondContact O-N 3.12Å; L66-I69 PolarHBondContact O-N 2.81Å; I69-M73 HydrophobicContact CG2-CG 4.48Å; I69-M73 HydrophobicContact CG2-SD 3.86Å; I69-M73 WeakPolarHBondContact O-CB 3.47Å; I69-M73 WeakPolarHBondContact O-CG 3.44Å; I69-M73 PolarHBondContact O-N 2.85Å; I69-M73 VanDerWaalsContact O-N 3.13Å |
| 70 | Q | 93.4 | Very high | 90.7 | Very high | 11 Ų | 11 | 35.9 Ų | 35.9 | 5% | 0.051 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -73.7 | -38.1 | 178.1 | -73.6 | 175.8 | -59.7 | 0 | 0 | 112.8 | L66 A67 K68 M73 D74 D75 G78 A79 T82 | L66-Q70 HydrophobicContact CD1-CG 4.49Å; L66-Q70 WeakPolarHBondContact O-CB 3.44Å; L66-Q70 VanDerWaalsContact O-CG 3.29Å; L66-Q70 WeakPolarHBondContact O-CG 3.11Å; L66-Q70 PolarHBondContact O-N 3.45Å; L66-Q70 PolarHBondContact O-OE1 2.94Å; A67-Q70 PolarHBondContact O-N 2.97Å; K68-Q70 PolarHBondContact O-N 2.93Å; Q70-M73 CarbonylContact O-C 3.53Å; Q70-M73 PolarHBondContact O-N 2.79Å; Q70-D74 PolarHBondContact O-N 3.17Å; Q70-D75 HydrophobicContact CB-CB 4.2Å; Q70-D75 HydrophobicContact CG-CB 4.44Å; Q70-D75 PolarHBondContact NE2-OD2 2.66Å; Q70-D75 PolarHBondContact O-N 2.86Å; Q70-G78 VanDerWaalsContact NE2-C 3.27Å; Q70-G78 VanDerWaalsContact OE1-C 3.28Å; Q70-G78 PolarHBondContact OE1-O 3.29Å; Q70-G78 VanDerWaalsContact OE1-O 3.14Å; Q70-A79 HydrophobicContact CB-CB 3.92Å; Q70-T82 PolarHBondContact OE1-OG1 3.38Å |
| 71 | E | 91.8 | Very high | 90.8 | Very high | 15 Ų | 15 | 34.8 Ų | 34.8 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.3 | -49.6 | 167.8 | -71.9 | 172.2 | -163.3 | 0 | 0 | 111 | A67 K68 M73 D74 A79 Y83 H99 L103 | A67-E71 WeakPolarHBondContact O-CG 3.44Å; A67-E71 PolarHBondContact O-N 2.71Å; K68-E71 WeakPolarHBondContact CD-OE2 3.39Å; K68-E71 IonicContact NZ-OE2 2.69Å; K68-E71 PolarHBondContact NZ-OE2 3.44Å; K68-E71 PolarHBondContact O-N 3.01Å; E71-M73 PolarHBondContact O-N 3.18Å; E71-D74 PolarHBondContact O-N 2.93Å; E71-A79 HydrophobicContact CG-CB 4.14Å; E71-Y83 WeakPolarHBondContact OE1-CE2 3.49Å; E71-Y83 VanDerWaalsContact OE1-CZ 3.23Å; E71-Y83 PolarHBondContact OE1-OH 3.47Å; E71-H99 IonicContact OE1-CD2 3.48Å; E71-H99 PolarHBondContact OE1-CD2 3Å; E71-H99 IonicContact OE1-NE2 3.53Å; E71-H99 PolarHBondContact OE1-NE2 2.84Å; E71-H99 IonicContact OE2-NE2 3.55Å; E71-H99 PolarHBondContact OE2-NE2 3.45Å; E71-L103 HydrophobicContact CG-CD1 4.06Å; E71-L103 WeakPolarHBondContact OE1-CD1 3.41Å |
| 72 | D | 90.4 | Very high | 90.9 | Very high | 52 Ų | 52 | 31.9 Ų | 31.9 | 28% | 0.278 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -4.5 | 180 | -56.2 | -16.4 | 0 | 0 | 0 | 113.1 | H37 F42 K68 | H37-D72 IonicContact CD2-OD2 3.54Å; H37-D72 IonicContact CE1-OD2 2.72Å; H37-D72 IonicContact NE2-OD2 3.7Å; H37-D72 PolarHBondContact NE2-OD2 3.46Å; F42-D72 HydrophobicContact CD1-CB 4.01Å; F42-D72 HydrophobicContact CE1-CB 3.65Å; F42-D72 HydrophobicContact CE2-CB 4.26Å; F42-D72 HydrophobicContact CG-CB 4.46Å; F42-D72 HydrophobicContact CZ-CB 3.79Å; K68-D72 WeakPolarHBondContact CE-OD1 3.34Å; K68-D72 IonicContact NZ-OD1 3.53Å; K68-D72 PolarHBondContact NZ-OD1 3.12Å; K68-D72 WeakPolarHBondContact O-CB 3.26Å; K68-D72 PolarHBondContact O-N 3.26Å |
| 73 | M | 89.8 | Confident | 91 | Very high | 57 Ų | 57 | 32.5 Ų | 32.5 | 28% | 0.281 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 6.8 | 173.4 | -74.8 | -179.7 | 68.1 | 0 | 0 | 113.2 | F42 K46 I69 Q70 E71 D75 | F42-M73 HydrophobicContact CB-CG 3.52Å; F42-M73 HydrophobicContact CB-SD 3.86Å; F42-M73 HydrophobicContact CG-CG 4.24Å; K46-M73 HydrophobicContact CB-SD 4.44Å; K46-M73 HydrophobicContact CD-CE 4.33Å; K46-M73 HydrophobicContact CD-SD 4.01Å; I69-M73 HydrophobicContact CG2-CG 4.48Å; I69-M73 HydrophobicContact CG2-SD 3.86Å; I69-M73 WeakPolarHBondContact O-CB 3.47Å; I69-M73 WeakPolarHBondContact O-CG 3.44Å; I69-M73 PolarHBondContact O-N 2.85Å; I69-M73 VanDerWaalsContact O-N 3.13Å; Q70-M73 CarbonylContact O-C 3.53Å; Q70-M73 PolarHBondContact O-N 2.79Å; E71-M73 PolarHBondContact O-N 3.18Å; M73-D75 PolarHBondContact O-N 2.91Å; M73-D75 VanDerWaalsContact O-N 3.11Å |
| 74 | D | 86.7 | Confident | 90.8 | Very high | 131 Ų | 131 | 32.1 Ų | 32.1 | 70% | 0.701 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 17.3 | -171.6 | -67.8 | -43.9 | 0 | 0 | 0 | 114.8 | Q70 E71 L76 | Q70-D74 PolarHBondContact O-N 3.17Å; E71-D74 PolarHBondContact O-N 2.93Å; D74-L76 VanDerWaalsContact C-N 3.26Å; D74-L76 PolarHBondContact O-N 2.9Å |
| 75 | D | 89.1 | Confident | 90.7 | Very high | 27 Ų | 27 | 30.6 Ų | 30.6 | 14% | 0.144 | 18% | 0.175 | C | C | . | . | trans | -81.5 | 68.2 | 175.6 | 178.1 | 16.7 | 0 | 0 | 0 | 110.7 | K46 Q70 M73 S77 G78 A79 | K46-D75 IonicContact NZ-OD2 3.51Å; K46-D75 PolarHBondContact NZ-OD2 3.23Å; Q70-D75 HydrophobicContact CB-CB 4.2Å; Q70-D75 HydrophobicContact CG-CB 4.44Å; Q70-D75 PolarHBondContact NE2-OD2 2.66Å; Q70-D75 PolarHBondContact O-N 2.86Å; M73-D75 PolarHBondContact O-N 2.91Å; M73-D75 VanDerWaalsContact O-N 3.11Å; D75-S77 VanDerWaalsContact C-N 3.26Å; D75-S77 PolarHBondContact O-N 2.84Å; D75-S77 PolarHBondContact OD1-OG 2.78Å; D75-G78 PolarHBondContact O-N 3.34Å; D75-G78 WeakPolarHBondContact OD1-CA 3.13Å; D75-G78 PolarHBondContact OD1-N 3.28Å; D75-A79 WeakPolarHBondContact O-CB 3.31Å; D75-A79 PolarHBondContact O-N 2.85Å | ||
| 76 | L | 88.9 | Confident | 90.6 | Very high | 46 Ų | 46 | 29.9 Ų | 29.9 | 24% | 0.241 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.3 | -39.7 | -178.7 | -174.4 | 65.1 | 0 | 0 | 0 | 112.6 | D74 A79 L80 L103 E106 | D74-L76 VanDerWaalsContact C-N 3.26Å; D74-L76 PolarHBondContact O-N 2.9Å; L76-A79 PolarHBondContact O-N 2.87Å; L76-L80 HydrophobicContact CD1-CD1 4.27Å; L76-L80 HydrophobicContact CD1-CG 4.43Å; L76-L80 HydrophobicContact CG-CD1 4.1Å; L76-L80 WeakPolarHBondContact O-CB 3.26Å; L76-L80 VanDerWaalsContact O-CG 3.29Å; L76-L80 WeakPolarHBondContact O-CG 3.35Å; L76-L80 PolarHBondContact O-N 3.22Å; L76-L103 HydrophobicContact CD1-CB 3.76Å; L76-L103 HydrophobicContact CD1-CD2 3.88Å; L76-L103 HydrophobicContact CD1-CG 4.33Å; L76-E106 HydrophobicContact CD2-CB 4.02Å |
| 77 | S | 88 | Confident | 90.2 | Very high | 81 Ų | 81 | 33.5 Ų | 33.5 | 57% | 0.566 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -67.1 | -41.6 | -179.9 | 75.5 | 0 | 0 | 0 | 0 | 111.9 | D75 G81 | D75-S77 VanDerWaalsContact C-N 3.26Å; D75-S77 PolarHBondContact O-N 2.84Å; D75-S77 PolarHBondContact OD1-OG 2.78Å; S77-G81 PolarHBondContact O-N 3.06Å |
| 78 | G | 88.6 | Confident | 89.9 | Confident | 13 Ų | 13 | 43 Ų | 43 | 13% | 0.134 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.8 | -45.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q70 D75 G81 T82 | Q70-G78 VanDerWaalsContact NE2-C 3.27Å; Q70-G78 VanDerWaalsContact OE1-C 3.28Å; Q70-G78 PolarHBondContact OE1-O 3.29Å; Q70-G78 VanDerWaalsContact OE1-O 3.14Å; D75-G78 PolarHBondContact O-N 3.34Å; D75-G78 WeakPolarHBondContact OD1-CA 3.13Å; D75-G78 PolarHBondContact OD1-N 3.28Å; G78-G81 CarbonylContact O-C 3.57Å; G78-G81 WeakPolarHBondContact O-CA 3.2Å; G78-G81 PolarHBondContact O-N 3.22Å; G78-G81 VanDerWaalsContact O-N 3.15Å; G78-T82 PolarHBondContact O-N 3.07Å; G78-T82 PolarHBondContact O-OG1 3.45Å; G78-T82 VanDerWaalsContact O-OG1 3.13Å |
| 79 | A | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.5 | -46.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q70 E71 D75 L76 G81 T82 Y83 | Q70-A79 HydrophobicContact CB-CB 3.92Å; E71-A79 HydrophobicContact CG-CB 4.14Å; D75-A79 WeakPolarHBondContact O-CB 3.31Å; D75-A79 PolarHBondContact O-N 2.85Å; L76-A79 PolarHBondContact O-N 2.87Å; A79-G81 VanDerWaalsContact C-N 3.31Å; A79-G81 PolarHBondContact O-N 2.74Å; A79-T82 WeakPolarHBondContact CA-OG1 3.47Å; A79-T82 PolarHBondContact O-N 3.42Å; A79-T82 PolarHBondContact O-OG1 2.82Å; A79-T82 VanDerWaalsContact O-OG1 3.05Å; A79-Y83 WeakPolarHBondContact O-CD2 3.43Å; A79-Y83 PolarHBondContact O-N 2.85Å |
| 80 | L | 91.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.7 | -34.3 | 175.3 | -67.3 | 173.7 | 0 | 0 | 0 | 111.9 | L76 K84 A100 L103 A104 E112 | L76-L80 HydrophobicContact CD1-CD1 4.27Å; L76-L80 HydrophobicContact CD1-CG 4.43Å; L76-L80 HydrophobicContact CG-CD1 4.1Å; L76-L80 WeakPolarHBondContact O-CB 3.26Å; L76-L80 VanDerWaalsContact O-CG 3.29Å; L76-L80 WeakPolarHBondContact O-CG 3.35Å; L76-L80 PolarHBondContact O-N 3.22Å; L80-K84 WeakPolarHBondContact O-CB 3.4Å; L80-K84 WeakPolarHBondContact O-CD 3.38Å; L80-K84 WeakPolarHBondContact O-CG 3.37Å; L80-K84 PolarHBondContact O-N 2.76Å; L80-A100 WeakPolarHBondContact CD2-O 3.32Å; L80-L103 HydrophobicContact CD2-CB 3.83Å; L80-A104 HydrophobicContact CD1-CB 4.37Å; L80-A104 HydrophobicContact CD2-CB 4.15Å; L80-E112 WeakPolarHBondContact CB-OE1 3.48Å; L80-E112 WeakPolarHBondContact CD1-OE2 3.45Å |
| 81 | G | 90.4 | Very high | 88.4 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S77 G78 A79 S85 | S77-G81 PolarHBondContact O-N 3.06Å; G78-G81 CarbonylContact O-C 3.57Å; G78-G81 WeakPolarHBondContact O-CA 3.2Å; G78-G81 PolarHBondContact O-N 3.22Å; G78-G81 VanDerWaalsContact O-N 3.15Å; A79-G81 VanDerWaalsContact C-N 3.31Å; A79-G81 PolarHBondContact O-N 2.74Å; G81-S85 PolarHBondContact O-N 3.04Å; G81-S85 VanDerWaalsContact O-N 3.08Å; G81-S85 PolarHBondContact O-OG 2.86Å |
| 82 | T | 90.9 | Very high | 87.6 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 8% | 0.08 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -77.3 | -34.9 | 177.6 | 50.3 | 0 | 0 | 0 | 0 | 112.1 | Y63 L66 A67 Q70 G78 A79 S85 L86 | Y63-T82 HydrophobicContact CD1-CG2 4.41Å; L66-T82 HydrophobicContact CD2-CG2 3.64Å; L66-T82 HydrophobicContact CG-CG2 3.95Å; A67-T82 WeakPolarHBondContact CA-OG1 3.2Å; A67-T82 WeakPolarHBondContact CB-OG1 3.26Å; Q70-T82 PolarHBondContact OE1-OG1 3.38Å; G78-T82 PolarHBondContact O-N 3.07Å; G78-T82 PolarHBondContact O-OG1 3.45Å; G78-T82 VanDerWaalsContact O-OG1 3.13Å; A79-T82 WeakPolarHBondContact CA-OG1 3.47Å; A79-T82 PolarHBondContact O-N 3.42Å; A79-T82 PolarHBondContact O-OG1 2.82Å; A79-T82 VanDerWaalsContact O-OG1 3.05Å; T82-S85 CarbonylContact O-C 3.53Å; T82-S85 WeakPolarHBondContact O-CB 3.37Å; T82-S85 PolarHBondContact O-N 3.11Å; T82-S85 VanDerWaalsContact O-N 3.13Å; T82-L86 WeakPolarHBondContact O-CB 3.49Å; T82-L86 PolarHBondContact O-N 3.02Å |
| 83 | Y | 92.9 | Very high | 87.1 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 5% | 0.051 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63 | -40.7 | 168.1 | -75.9 | -53.6 | 0 | 0 | 0 | 112.9 | A67 E71 A79 S85 L86 R87 L92 T96 A100 L103 | A67-Y83 HydrophobicContact CB-CD1 4.25Å; A67-Y83 HydrophobicContact CB-CD2 4.46Å; A67-Y83 HydrophobicContact CB-CE1 3.81Å; A67-Y83 HydrophobicContact CB-CE2 4.06Å; E71-Y83 WeakPolarHBondContact OE1-CE2 3.49Å; E71-Y83 VanDerWaalsContact OE1-CZ 3.23Å; E71-Y83 PolarHBondContact OE1-OH 3.47Å; A79-Y83 WeakPolarHBondContact O-CD2 3.43Å; A79-Y83 PolarHBondContact O-N 2.85Å; Y83-S85 VanDerWaalsContact C-N 3.26Å; Y83-S85 PolarHBondContact O-N 3.33Å; Y83-L86 HydrophobicContact CD1-CD2 4.2Å; Y83-L86 PolarHBondContact O-N 3.27Å; Y83-R87 WeakPolarHBondContact O-CB 3.48Å; Y83-R87 PolarHBondContact O-N 2.95Å; Y83-L92 HydrophobicContact CD1-CD2 4.33Å; Y83-T96 HydrophobicContact CD1-CG2 3.79Å; Y83-T96 HydrophobicContact CE1-CG2 3.32Å; Y83-A100 HydrophobicContact CD1-CB 4.5Å; Y83-A100 HydrophobicContact CD2-CB 3.91Å; Y83-A100 HydrophobicContact CG-CB 3.89Å; Y83-L103 HydrophobicContact CD2-CD1 4.39Å; Y83-L103 HydrophobicContact CE2-CD1 3.79Å |
| 84 | K | 90.1 | Very high | 86.8 | Confident | 33 Ų | 33 | 58.1 Ų | 58.1 | 14% | 0.143 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.3 | -38.8 | 170.5 | -78.4 | 162.4 | 180 | 169.5 | 0 | 111.8 | L80 R88 E112 F115 W116 | L80-K84 WeakPolarHBondContact O-CB 3.4Å; L80-K84 WeakPolarHBondContact O-CD 3.38Å; L80-K84 WeakPolarHBondContact O-CG 3.37Å; L80-K84 PolarHBondContact O-N 2.76Å; K84-R88 WeakPolarHBondContact O-CG 3.42Å; K84-R88 PolarHBondContact O-N 2.85Å; K84-E112 IonicContact NZ-OE1 3.76Å; K84-E112 PolarHBondContact NZ-OE1 2.91Å; K84-F115 HydrophobicContact CD-CD1 4.42Å; K84-F115 HydrophobicContact CG-CD1 3.97Å; K84-F115 HydrophobicContact CG-CE1 3.62Å; K84-F115 HydrophobicContact CG-CZ 4.18Å; K84-W116 HydrophobicContact CG-CZ2 3.86Å |
| 85 | S | 88.7 | Confident | 86.5 | Confident | 36 Ų | 36 | 55.6 Ų | 55.6 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -72.5 | -45 | 179.3 | -58 | 0 | 0 | 0 | 0 | 111.8 | G81 T82 Y83 R87 R88 L89 | G81-S85 PolarHBondContact O-N 3.04Å; G81-S85 VanDerWaalsContact O-N 3.08Å; G81-S85 PolarHBondContact O-OG 2.86Å; T82-S85 CarbonylContact O-C 3.53Å; T82-S85 WeakPolarHBondContact O-CB 3.37Å; T82-S85 PolarHBondContact O-N 3.11Å; T82-S85 VanDerWaalsContact O-N 3.13Å; Y83-S85 VanDerWaalsContact C-N 3.26Å; Y83-S85 PolarHBondContact O-N 3.33Å; S85-R87 PolarHBondContact O-N 3.15Å; S85-R88 WeakPolarHBondContact O-CB 3.39Å; S85-R88 PolarHBondContact O-N 3.07Å; S85-L89 PolarHBondContact O-N 2.99Å; S85-L89 VanDerWaalsContact O-N 3.09Å |
| 86 | L | 88.8 | Confident | 86.3 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.3 | -37.6 | 173 | -168.8 | 73.8 | 0 | 0 | 0 | 111.3 | V60 T82 Y83 R88 L89 T90 L92 | V60-L86 HydrophobicContact CB-CD1 4.5Å; V60-L86 HydrophobicContact CG1-CD1 4.01Å; T82-L86 WeakPolarHBondContact O-CB 3.49Å; T82-L86 PolarHBondContact O-N 3.02Å; Y83-L86 HydrophobicContact CD1-CD2 4.2Å; Y83-L86 PolarHBondContact O-N 3.27Å; L86-R88 VanDerWaalsContact C-N 3.33Å; L86-R88 PolarHBondContact O-N 3.37Å; L86-L89 PolarHBondContact O-N 3.04Å; L86-T90 PolarHBondContact O-N 3.48Å; L86-T90 VanDerWaalsContact O-O 3.09Å; L86-T90 PolarHBondContact O-OG1 2.82Å; L86-L92 HydrophobicContact CB-CD1 3.87Å; L86-L92 HydrophobicContact CD2-CD1 3.87Å; L86-L92 HydrophobicContact CD2-CD2 4.3Å; L86-L92 HydrophobicContact CD2-CG 4.03Å; L86-L92 HydrophobicContact CG-CD1 3.63Å; L86-L92 HydrophobicContact CG-CG 4.33Å |
| 87 | R | 86.1 | Confident | 86.2 | Confident | 84 Ų | 84 | 53.8 Ų | 53.8 | 32% | 0.317 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -72.3 | -19.1 | 176.1 | -164.6 | 173.4 | -178.9 | -93.3 | 2.8 | 114.6 | Y83 S85 T90 L92 | Y83-R87 WeakPolarHBondContact O-CB 3.48Å; Y83-R87 PolarHBondContact O-N 2.95Å; S85-R87 PolarHBondContact O-N 3.15Å; R87-T90 CarbonylContact C-O 3.5Å; R87-T90 WeakPolarHBondContact CA-O 3.41Å; R87-L92 HydrophobicContact CB-CD1 3.73Å; R87-L92 HydrophobicContact CG-CD1 4.33Å |
| 88 | R | 85.9 | Confident | 86.1 | Confident | 201 Ų | 201 | 51.8 Ų | 51.8 | 76% | 0.758 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -85.4 | -33.8 | 172.4 | -68.6 | 168 | -177.6 | 177 | 1.1 | 111.7 | K84 S85 L86 | K84-R88 WeakPolarHBondContact O-CG 3.42Å; K84-R88 PolarHBondContact O-N 2.85Å; S85-R88 WeakPolarHBondContact O-CB 3.39Å; S85-R88 PolarHBondContact O-N 3.07Å; L86-R88 VanDerWaalsContact C-N 3.33Å; L86-R88 PolarHBondContact O-N 3.37Å |
| 89 | L | 84.2 | Confident | 86 | Confident | 67 Ų | 67 | 53.5 Ų | 53.5 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -80.1 | -34.2 | 178.8 | -67.8 | 171.1 | 0 | 0 | 0 | 112.8 | D58 Y63 S85 L86 | D58-L89 HydrophobicContact CB-CD2 4.45Å; Y63-L89 HydrophobicContact CD2-CD1 3.46Å; Y63-L89 VanDerWaalsContact CD2-CD1 3.46Å; Y63-L89 HydrophobicContact CE2-CD1 3.23Å; Y63-L89 HydrophobicContact CG-CD1 4.38Å; S85-L89 PolarHBondContact O-N 2.99Å; S85-L89 VanDerWaalsContact O-N 3.09Å; L86-L89 PolarHBondContact O-N 3.04Å |
| 90 | T | 83.2 | Confident | 85.8 | Confident | 49 Ų | 49 | 53.5 Ų | 53.5 | 30% | 0.301 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -142.7 | 152.3 | -178 | 42.1 | 0 | 0 | 0 | 0 | 112 | V60 L86 R87 L92 | V60-T90 HydrophobicContact CG1-CG2 4.5Å; V60-T90 HydrophobicContact CG2-CG2 3.38Å; L86-T90 PolarHBondContact O-N 3.48Å; L86-T90 VanDerWaalsContact O-O 3.09Å; L86-T90 PolarHBondContact O-OG1 2.82Å; R87-T90 CarbonylContact C-O 3.5Å; R87-T90 WeakPolarHBondContact CA-O 3.41Å; T90-L92 PolarHBondContact O-N 2.96Å |
| 91 | N | 78 | Confident | 85.8 | Confident | 168 Ų | 168 | 53.5 Ų | 53.5 | 90% | 0.898 | 27% | 0.272 | S | S | * | . | trans | -65.5 | 103 | 158.7 | -67.5 | -24.1 | 0 | 0 | 0 | 107.7 | ||||
| 92 | L | 75.9 | Confident | 85.7 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | trans | -54.2 | 146.9 | 171.6 | -96.5 | 69.6 | 0 | 0 | 0 | 109.9 | Y83 L86 R87 T90 T96 T97 | Y83-L92 HydrophobicContact CD1-CD2 4.33Å; L86-L92 HydrophobicContact CB-CD1 3.87Å; L86-L92 HydrophobicContact CD2-CD1 3.87Å; L86-L92 HydrophobicContact CD2-CD2 4.3Å; L86-L92 HydrophobicContact CD2-CG 4.03Å; L86-L92 HydrophobicContact CG-CD1 3.63Å; L86-L92 HydrophobicContact CG-CG 4.33Å; R87-L92 HydrophobicContact CB-CD1 3.73Å; R87-L92 HydrophobicContact CG-CD1 4.33Å; T90-L92 PolarHBondContact O-N 2.96Å; L92-T96 HydrophobicContact CD2-CG2 3.73Å; L92-T96 HydrophobicContact CG-CG2 4.33Å; L92-T97 WeakPolarHBondContact CB-OG1 3.46Å | ||
| 93 | D | 80.7 | Confident | 85.6 | Confident | 63 Ų | 63 | 55.4 Ų | 55.4 | 34% | 0.337 | 27% | 0.272 | S | S | . | . | trans | -60.9 | 154.1 | 162.8 | 61.9 | -63.4 | 0 | 0 | 0 | 110.9 | S95 T96 T97 | D93-S95 VanDerWaalsContact C-N 3.27Å; D93-S95 PolarHBondContact O-N 2.64Å; D93-S95 WeakPolarHBondContact OD2-CB 3.38Å; D93-S95 PolarHBondContact OD2-OG 2.81Å; D93-T96 PolarHBondContact O-N 2.95Å; D93-T96 WeakPolarHBondContact OD1-CB 3.36Å; D93-T96 PolarHBondContact OD1-OG1 2.88Å; D93-T96 PolarHBondContact OD2-N 2.79Å; D93-T96 PolarHBondContact OD2-OG1 2.79Å; D93-T97 PolarHBondContact O-N 2.8Å; D93-T97 PolarHBondContact O-OG1 2.82Å | ||
| 94 | K | 82.8 | Confident | 85.4 | Confident | 146 Ų | 146 | 54.8 Ų | 54.8 | 64% | 0.635 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -60.8 | -37.5 | -178.7 | -73.1 | -175 | 177.4 | -174.1 | 0 | 111.9 | T97 L98 M123 F124 | K94-T97 PolarHBondContact O-N 2.9Å; K94-L98 VanDerWaalsContact O-CB 3.32Å; K94-L98 WeakPolarHBondContact O-CB 3.01Å; K94-L98 PolarHBondContact O-N 2.77Å; K94-M123 HydrophobicContact CG-CE 4.39Å; K94-F124 HydrophobicContact CB-CE1 3.99Å; K94-F124 HydrophobicContact CB-CZ 4.15Å; K94-F124 HydrophobicContact CD-CE1 4.48Å; K94-F124 HydrophobicContact CG-CE1 4.23Å; K94-F124 HydrophobicContact CG-CZ 4.47Å; K94-F124 VanDerWaalsContact O-CZ 3.26Å; K94-F124 WeakPolarHBondContact O-CZ 3.38Å |
| 95 | S | 80.9 | Confident | 85.2 | Confident | 79 Ų | 79 | 56.6 Ų | 56.6 | 55% | 0.552 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.6 | -57.9 | 176.6 | 19 | 0 | 0 | 0 | 0 | 112.3 | D93 T97 L98 H99 | D93-S95 VanDerWaalsContact C-N 3.27Å; D93-S95 PolarHBondContact O-N 2.64Å; D93-S95 WeakPolarHBondContact OD2-CB 3.38Å; D93-S95 PolarHBondContact OD2-OG 2.81Å; S95-T97 VanDerWaalsContact C-N 3.28Å; S95-T97 PolarHBondContact O-N 2.95Å; S95-L98 PolarHBondContact O-N 2.83Å; S95-L98 VanDerWaalsContact O-N 3.1Å; S95-H99 PolarHBondContact O-N 2.76Å |
| 96 | T | 83.3 | Confident | 85.1 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 20% | 0.202 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.9 | -35.3 | 178.8 | -49.8 | 0 | 0 | 0 | 0 | 112.3 | Y83 L92 D93 H99 A100 | Y83-T96 HydrophobicContact CD1-CG2 3.79Å; Y83-T96 HydrophobicContact CE1-CG2 3.32Å; L92-T96 HydrophobicContact CD2-CG2 3.73Å; L92-T96 HydrophobicContact CG-CG2 4.33Å; D93-T96 PolarHBondContact O-N 2.95Å; D93-T96 WeakPolarHBondContact OD1-CB 3.36Å; D93-T96 PolarHBondContact OD1-OG1 2.88Å; D93-T96 PolarHBondContact OD2-N 2.79Å; D93-T96 PolarHBondContact OD2-OG1 2.79Å; T96-H99 PolarHBondContact O-N 2.93Å; T96-A100 PolarHBondContact O-N 3.11Å |
| 97 | T | 87.3 | Confident | 84.9 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 175.3 | -47.8 | 0 | 0 | 0 | 0 | 111.6 | L92 D93 K94 S95 A100 C101 W116 V119 M123 F124 | L92-T97 WeakPolarHBondContact CB-OG1 3.46Å; D93-T97 PolarHBondContact O-N 2.8Å; D93-T97 PolarHBondContact O-OG1 2.82Å; K94-T97 PolarHBondContact O-N 2.9Å; S95-T97 VanDerWaalsContact C-N 3.28Å; S95-T97 PolarHBondContact O-N 2.95Å; T97-A100 PolarHBondContact O-N 2.81Å; T97-C101 PolarHBondContact O-N 2.93Å; T97-C101 PolarHBondContact O-SG 3.1Å; T97-W116 HydrophobicContact CG2-CZ3 4.25Å; T97-V119 HydrophobicContact CG2-CG1 3.52Å; T97-M123 HydrophobicContact CG2-CE 4.2Å; T97-M123 HydrophobicContact CG2-SD 3.88Å; T97-F124 HydrophobicContact CG2-CE2 3.89Å; T97-F124 HydrophobicContact CG2-CZ 4.37Å |
| 98 | L | 86.8 | Confident | 84.7 | Confident | 40 Ų | 40 | 62 Ų | 62 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67 | -38.9 | 177.9 | -170.8 | 71.8 | 0 | 0 | 0 | 111.5 | K94 S95 C101 F102 F124 E127 I129 | K94-L98 VanDerWaalsContact O-CB 3.32Å; K94-L98 WeakPolarHBondContact O-CB 3.01Å; K94-L98 PolarHBondContact O-N 2.77Å; S95-L98 PolarHBondContact O-N 2.83Å; S95-L98 VanDerWaalsContact O-N 3.1Å; L98-C101 WeakPolarHBondContact O-CB 3.41Å; L98-C101 PolarHBondContact O-N 2.74Å; L98-F102 HydrophobicContact CD1-CE2 4.36Å; L98-F102 HydrophobicContact CD2-CE2 4.07Å; L98-F102 HydrophobicContact CG-CD2 4.23Å; L98-F102 HydrophobicContact CG-CE2 3.78Å; L98-F102 VanDerWaalsContact O-CD2 3.24Å; L98-F102 WeakPolarHBondContact O-CD2 3.17Å; L98-F102 PolarHBondContact O-N 2.9Å; L98-F124 HydrophobicContact CB-CE2 4.15Å; L98-F124 HydrophobicContact CB-CZ 4.05Å; L98-F124 HydrophobicContact CD1-CD1 4.27Å; L98-F124 HydrophobicContact CD1-CD2 3.91Å; L98-F124 HydrophobicContact CD1-CE1 4.48Å; L98-F124 HydrophobicContact CD1-CE2 4.14Å; L98-F124 HydrophobicContact CD1-CG 4Å; L98-F124 HydrophobicContact CD1-CZ 4.44Å; L98-E127 HydrophobicContact CD1-CG 4.39Å; L98-I129 HydrophobicContact CD1-CG2 3.83Å |
| 99 | H | 86.6 | Confident | 84.6 | Confident | 49 Ų | 49 | 56.1 Ų | 56.1 | 23% | 0.227 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.5 | -49.6 | 173 | -173.6 | 51.1 | 0 | 0 | 0 | 111.8 | E71 S95 T96 C101 F102 L103 D1634 | E71-H99 IonicContact OE1-CD2 3.48Å; E71-H99 PolarHBondContact OE1-CD2 3Å; E71-H99 IonicContact OE1-NE2 3.53Å; E71-H99 PolarHBondContact OE1-NE2 2.84Å; E71-H99 IonicContact OE2-NE2 3.55Å; E71-H99 PolarHBondContact OE2-NE2 3.45Å; S95-H99 PolarHBondContact O-N 2.76Å; T96-H99 PolarHBondContact O-N 2.93Å; H99-C101 PolarHBondContact O-N 3.19Å; H99-F102 WeakPolarHBondContact O-CA 3.37Å; H99-F102 WeakPolarHBondContact O-CB 3.16Å; H99-F102 PolarHBondContact O-N 2.77Å; H99-L103 PolarHBondContact O-N 2.93Å; H99-D1634 IonicContact CE1-OD2 2.73Å; H99-D1634 PolarHBondContact CE1-OD2 2.91Å |
| 100 | A | 88.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.3 | -33.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L80 Y83 T96 T97 A104 W116 | L80-A100 WeakPolarHBondContact CD2-O 3.32Å; Y83-A100 HydrophobicContact CD1-CB 4.5Å; Y83-A100 HydrophobicContact CD2-CB 3.91Å; Y83-A100 HydrophobicContact CG-CB 3.89Å; T96-A100 PolarHBondContact O-N 3.11Å; T97-A100 PolarHBondContact O-N 2.81Å; A100-A104 VanDerWaalsContact O-CB 3.29Å; A100-A104 WeakPolarHBondContact O-CB 3.19Å; A100-A104 PolarHBondContact O-N 2.84Å; A100-W116 HydrophobicContact CB-CE3 4.23Å; A100-W116 HydrophobicContact CB-CH2 3.56Å; A100-W116 HydrophobicContact CB-CZ2 3.84Å; A100-W116 HydrophobicContact CB-CZ3 3.76Å |
| 101 | C | 89.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.7 | -34.6 | 172.3 | -70.1 | 0 | 0 | 0 | 0 | 113.3 | T97 L98 H99 Q105 I129 L133 | T97-C101 PolarHBondContact O-N 2.93Å; T97-C101 PolarHBondContact O-SG 3.1Å; L98-C101 WeakPolarHBondContact O-CB 3.41Å; L98-C101 PolarHBondContact O-N 2.74Å; H99-C101 PolarHBondContact O-N 3.19Å; C101-Q105 PolarHBondContact O-N 2.96Å; C101-I129 HydrophobicContact CB-CG1 3.97Å; C101-I129 HydrophobicContact CB-CG2 4.49Å; C101-L133 HydrophobicContact CB-CD1 4.07Å |
| 102 | F | 89.6 | Confident | 85 | Confident | 68 Ų | 68 | 49.2 Ų | 49.2 | 30% | 0.298 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.6 | -47.1 | 172.6 | -77.4 | -63.1 | 0 | 0 | 0 | 111.4 | L98 H99 A104 Q105 I129 | L98-F102 HydrophobicContact CD1-CE2 4.36Å; L98-F102 HydrophobicContact CD2-CE2 4.07Å; L98-F102 HydrophobicContact CG-CD2 4.23Å; L98-F102 HydrophobicContact CG-CE2 3.78Å; L98-F102 VanDerWaalsContact O-CD2 3.24Å; L98-F102 WeakPolarHBondContact O-CD2 3.17Å; L98-F102 PolarHBondContact O-N 2.9Å; H99-F102 WeakPolarHBondContact O-CA 3.37Å; H99-F102 WeakPolarHBondContact O-CB 3.16Å; H99-F102 PolarHBondContact O-N 2.77Å; F102-A104 VanDerWaalsContact C-N 3.27Å; F102-A104 PolarHBondContact O-N 3.44Å; F102-Q105 WeakPolarHBondContact O-CB 3.48Å; F102-Q105 PolarHBondContact O-N 3.3Å; F102-I129 HydrophobicContact CD1-CB 4.44Å; F102-I129 HydrophobicContact CD1-CD1 3.63Å; F102-I129 HydrophobicContact CD1-CG1 4.04Å; F102-I129 HydrophobicContact CE1-CB 4.06Å; F102-I129 HydrophobicContact CE1-CD1 3.97Å; F102-I129 HydrophobicContact CE1-CG1 4.16Å; F102-I129 HydrophobicContact CG-CD1 4.38Å; F102-I129 HydrophobicContact CZ-CB 4.4Å |
| 103 | L | 87.8 | Confident | 85.6 | Confident | 12 Ų | 12 | 48.6 Ų | 48.6 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.4 | -40.2 | 173.2 | -69.1 | 174.6 | 0 | 0 | 0 | 111.9 | E71 L76 L80 Y83 H99 Q105 E106 S107 | E71-L103 HydrophobicContact CG-CD1 4.06Å; E71-L103 WeakPolarHBondContact OE1-CD1 3.41Å; L76-L103 HydrophobicContact CD1-CB 3.76Å; L76-L103 HydrophobicContact CD1-CD2 3.88Å; L76-L103 HydrophobicContact CD1-CG 4.33Å; L80-L103 HydrophobicContact CD2-CB 3.83Å; Y83-L103 HydrophobicContact CD2-CD1 4.39Å; Y83-L103 HydrophobicContact CE2-CD1 3.79Å; H99-L103 PolarHBondContact O-N 2.93Å; L103-Q105 PolarHBondContact O-N 3.47Å; L103-E106 PolarHBondContact O-N 3.44Å; L103-S107 PolarHBondContact O-N 2.94Å |
| 104 | A | 89.2 | Confident | 86 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.9 | -23 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L80 A100 F102 E106 S107 W116 L133 | L80-A104 HydrophobicContact CD1-CB 4.37Å; L80-A104 HydrophobicContact CD2-CB 4.15Å; A100-A104 VanDerWaalsContact O-CB 3.29Å; A100-A104 WeakPolarHBondContact O-CB 3.19Å; A100-A104 PolarHBondContact O-N 2.84Å; F102-A104 VanDerWaalsContact C-N 3.27Å; F102-A104 PolarHBondContact O-N 3.44Å; A104-E106 PolarHBondContact O-N 3.02Å; A104-S107 PolarHBondContact O-N 2.83Å; A104-W116 HydrophobicContact CB-CB 3.52Å; A104-W116 VanDerWaalsContact CB-CD1 3.47Å; A104-W116 HydrophobicContact CB-CG 3.61Å; A104-L133 HydrophobicContact CB-CD2 4.08Å |
| 105 | Q | 86.3 | Confident | 86.4 | Confident | 70 Ų | 70 | 47.5 Ų | 47.5 | 33% | 0.327 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.6 | -26.7 | 173.7 | -162.2 | -168.4 | -55.8 | 0 | 0 | 111.7 | C101 F102 L103 I129 L132 L133 K136 | C101-Q105 PolarHBondContact O-N 2.96Å; F102-Q105 WeakPolarHBondContact O-CB 3.48Å; F102-Q105 PolarHBondContact O-N 3.3Å; L103-Q105 PolarHBondContact O-N 3.47Å; Q105-I129 HydrophobicContact CB-CD1 3.94Å; Q105-I129 HydrophobicContact CG-CD1 4.19Å; Q105-L132 HydrophobicContact CG-CB 4.47Å; Q105-L133 HydrophobicContact CB-CD2 4.27Å; Q105-K136 WeakPolarHBondContact O-CD 3.49Å; Q105-K136 PolarHBondContact O-NZ 3.23Å |
| 106 | E | 85.2 | Confident | 86.9 | Confident | 117 Ų | 117 | 43.7 Ų | 43.7 | 55% | 0.547 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -91 | -28 | -178.5 | -61.7 | -177.8 | 169.1 | 0 | 0 | 111.4 | L76 L103 A104 K136 | L76-E106 HydrophobicContact CD2-CB 4.02Å; L103-E106 PolarHBondContact O-N 3.44Å; A104-E106 PolarHBondContact O-N 3.02Å; E106-K136 PolarHBondContact O-NZ 3.46Å |
| 107 | S | 85.1 | Confident | 87.2 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | trans | -52.2 | 138 | -177 | -177.4 | 0 | 0 | 0 | 0 | 114.5 | L103 A104 D109 E112 K136 | L103-S107 PolarHBondContact O-N 2.94Å; A104-S107 PolarHBondContact O-N 2.83Å; S107-D109 PolarHBondContact OG-N 2.63Å; S107-E112 PolarHBondContact OG-OE2 3.33Å; S107-K136 PolarHBondContact O-NZ 2.97Å | ||
| 108 | R | 81.4 | Confident | 87.3 | Confident | 117 Ų | 117 | 44.4 Ų | 44.4 | 44% | 0.442 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -87.5 | -11.4 | 179.2 | -73 | 162.9 | 162.5 | -102.3 | -7.4 | 113.1 | R140 D1212 | R108-R140 VanDerWaalsContact O-CZ 3.28Å; R108-R140 PolarHBondContact O-NH1 3.36Å; R108-R140 PolarHBondContact O-NH2 2.66Å; R108-D1212 VanDerWaalsContact CZ-CB 3.46Å; R108-D1212 IonicContact CZ-OD1 3.14Å; R108-D1212 IonicContact CZ-OD2 3.84Å; R108-D1212 IonicContact NH1-OD1 2.69Å; R108-D1212 IonicContact NH1-OD2 2.82Å; R108-D1212 PolarHBondContact NH1-OD2 3.13Å; R108-D1212 VanDerWaalsContact NH2-CB 3.29Å; R108-D1212 PolarHBondContact NH2-O 3.21Å; R108-D1212 IonicContact NH2-OD1 2.76Å; R108-D1212 PolarHBondContact NH2-OD1 3.4Å; R108-D1212 IonicContact NH2-OD2 3.23Å; R108-D1212 PolarHBondContact NH2-OD2 3.04Å |
| 109 | D | 83.9 | Confident | 87.5 | Confident | 77 Ų | 77 | 42.8 Ų | 42.8 | 41% | 0.412 | 22% | 0.216 | S | C | . | . | trans | -93.9 | 117.2 | 176.3 | 174.7 | 4.4 | 0 | 0 | 0 | 110.8 | S107 S111 E112 V113 | S107-D109 PolarHBondContact OG-N 2.63Å; D109-S111 VanDerWaalsContact CG-OG 3.23Å; D109-S111 PolarHBondContact O-N 2.76Å; D109-S111 WeakPolarHBondContact OD1-CB 3.3Å; D109-S111 PolarHBondContact OD1-N 2.82Å; D109-S111 PolarHBondContact OD1-OG 2.91Å; D109-S111 PolarHBondContact OD2-OG 2.91Å; D109-E112 HydrophobicContact CB-CG 3.9Å; D109-E112 PolarHBondContact O-N 3.29Å; D109-V113 WeakPolarHBondContact O-CG2 3.23Å; D109-V113 PolarHBondContact O-N 3.44Å | ||
| 110 | I | 83.6 | Confident | 87.5 | Confident | 62 Ų | 62 | 40.4 Ų | 40.4 | 32% | 0.318 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.9 | -37.5 | -178.9 | -53.6 | 174.9 | 0 | 0 | 0 | 111.1 | E112 V113 E114 R140 | I110-E112 PolarHBondContact O-N 2.71Å; I110-V113 PolarHBondContact O-N 2.78Å; I110-V113 VanDerWaalsContact O-N 3.16Å; I110-E114 HydrophobicContact CG2-CG 4.09Å; I110-E114 WeakPolarHBondContact O-CB 3.39Å; I110-E114 WeakPolarHBondContact O-CG 3.46Å; I110-E114 PolarHBondContact O-N 2.76Å; I110-R140 HydrophobicContact CD1-CG 3.79Å; I110-R140 HydrophobicContact CG1-CG 4.25Å; I110-R140 VanDerWaalsContact CG1-CZ 3.44Å |
| 111 | S | 84.8 | Confident | 87.5 | Confident | 66 Ų | 66 | 44.2 Ų | 44.2 | 46% | 0.462 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.9 | -28.6 | -176.6 | 78.7 | 0 | 0 | 0 | 0 | 112.3 | D109 F115 | D109-S111 VanDerWaalsContact CG-OG 3.23Å; D109-S111 PolarHBondContact O-N 2.76Å; D109-S111 WeakPolarHBondContact OD1-CB 3.3Å; D109-S111 PolarHBondContact OD1-N 2.82Å; D109-S111 PolarHBondContact OD1-OG 2.91Å; D109-S111 PolarHBondContact OD2-OG 2.91Å; S111-F115 WeakPolarHBondContact O-CB 3.41Å; S111-F115 PolarHBondContact O-N 2.73Å |
| 112 | E | 86.7 | Confident | 87.4 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 5% | 0.051 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -76.1 | -45.4 | 173.1 | -48.5 | -152 | 101 | 0 | 0 | 112 | L80 K84 S107 D109 I110 E114 F115 W116 | L80-E112 WeakPolarHBondContact CB-OE1 3.48Å; L80-E112 WeakPolarHBondContact CD1-OE2 3.45Å; K84-E112 IonicContact NZ-OE1 3.76Å; K84-E112 PolarHBondContact NZ-OE1 2.91Å; S107-E112 PolarHBondContact OG-OE2 3.33Å; D109-E112 HydrophobicContact CB-CG 3.9Å; D109-E112 PolarHBondContact O-N 3.29Å; I110-E112 PolarHBondContact O-N 2.71Å; E112-E114 VanDerWaalsContact C-N 3.29Å; E112-E114 PolarHBondContact O-N 2.76Å; E112-F115 PolarHBondContact O-N 2.69Å; E112-W116 PolarHBondContact O-N 3.38Å |
| 113 | V | 88.2 | Confident | 87.2 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61 | -40.9 | 177.6 | -169.5 | 0 | 0 | 0 | 0 | 110.2 | D109 I110 S117 L133 K136 V137 | D109-V113 WeakPolarHBondContact O-CG2 3.23Å; D109-V113 PolarHBondContact O-N 3.44Å; I110-V113 PolarHBondContact O-N 2.78Å; I110-V113 VanDerWaalsContact O-N 3.16Å; V113-S117 WeakPolarHBondContact O-CA 3.5Å; V113-S117 WeakPolarHBondContact O-CB 3.31Å; V113-S117 PolarHBondContact O-N 3.47Å; V113-L133 HydrophobicContact CG1-CB 4.49Å; V113-L133 HydrophobicContact CG1-CD2 3.84Å; V113-K136 HydrophobicContact CG1-CB 4.25Å; V113-K136 HydrophobicContact CG1-CD 4.17Å; V113-K136 HydrophobicContact CG1-CG 4.35Å; V113-K136 HydrophobicContact CG2-CD 4.3Å; V113-V137 HydrophobicContact CB-CG2 4.21Å; V113-V137 HydrophobicContact CG1-CG2 3.75Å |
| 114 | E | 88.8 | Confident | 87.2 | Confident | 111 Ų | 111 | 50.4 Ų | 50.4 | 52% | 0.519 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 175.1 | -75.9 | -177.5 | 169.5 | 0 | 0 | 112.3 | I110 E112 S117 G118 V137 | I110-E114 HydrophobicContact CG2-CG 4.09Å; I110-E114 WeakPolarHBondContact O-CB 3.39Å; I110-E114 WeakPolarHBondContact O-CG 3.46Å; I110-E114 PolarHBondContact O-N 2.76Å; E112-E114 VanDerWaalsContact C-N 3.29Å; E112-E114 PolarHBondContact O-N 2.76Å; E114-S117 PolarHBondContact O-N 2.98Å; E114-G118 PolarHBondContact O-N 3.17Å; E114-V137 HydrophobicContact CG-CB 4.49Å; E114-V137 HydrophobicContact CG-CG1 3.81Å; E114-V137 HydrophobicContact CG-CG2 3.79Å |
| 115 | F | 90.7 | Very high | 86.8 | Confident | 75 Ų | 75 | 54 Ų | 54 | 33% | 0.329 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.7 | -52.2 | 176.5 | 175.1 | -92.2 | 0 | 0 | 0 | 111.5 | K84 S111 E112 S117 G118 V119 | K84-F115 HydrophobicContact CD-CD1 4.42Å; K84-F115 HydrophobicContact CG-CD1 3.97Å; K84-F115 HydrophobicContact CG-CE1 3.62Å; K84-F115 HydrophobicContact CG-CZ 4.18Å; S111-F115 WeakPolarHBondContact O-CB 3.41Å; S111-F115 PolarHBondContact O-N 2.73Å; E112-F115 PolarHBondContact O-N 2.69Å; F115-S117 PolarHBondContact O-N 3.41Å; F115-G118 PolarHBondContact O-N 2.99Å; F115-V119 HydrophobicContact CD1-CG2 4.33Å; F115-V119 HydrophobicContact CE1-CG2 3.9Å; F115-V119 HydrophobicContact CZ-CG2 4.1Å; F115-V119 WeakPolarHBondContact O-CG2 3.3Å; F115-V119 PolarHBondContact O-N 2.68Å; F115-V119 VanDerWaalsContact O-N 3.11Å |
| 116 | W | 91.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.2 | -28.9 | -178.7 | -70.5 | 114.6 | 0 | 0 | 0 | 112.6 | K84 T97 A100 A104 E112 G118 V119 A120 | K84-W116 HydrophobicContact CG-CZ2 3.86Å; T97-W116 HydrophobicContact CG2-CZ3 4.25Å; A100-W116 HydrophobicContact CB-CE3 4.23Å; A100-W116 HydrophobicContact CB-CH2 3.56Å; A100-W116 HydrophobicContact CB-CZ2 3.84Å; A100-W116 HydrophobicContact CB-CZ3 3.76Å; A104-W116 HydrophobicContact CB-CB 3.52Å; A104-W116 VanDerWaalsContact CB-CD1 3.47Å; A104-W116 HydrophobicContact CB-CG 3.61Å; E112-W116 PolarHBondContact O-N 3.38Å; W116-G118 VanDerWaalsContact C-N 3.31Å; W116-G118 PolarHBondContact O-N 3.02Å; W116-V119 HydrophobicContact CE3-CB 4.08Å; W116-V119 HydrophobicContact CE3-CG1 4.11Å; W116-V119 HydrophobicContact CE3-CG2 4.25Å; W116-V119 HydrophobicContact CZ3-CG1 4.18Å; W116-V119 PolarHBondContact O-N 2.57Å; W116-A120 VanDerWaalsContact O-CB 3.26Å; W116-A120 WeakPolarHBondContact O-CB 3.44Å; W116-A120 PolarHBondContact O-N 2.79Å |
| 117 | S | 89.9 | Confident | 86 | Confident | 15 Ų | 15 | 54.2 Ų | 54.2 | 11% | 0.105 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.7 | -37.4 | 170 | -174.9 | 0 | 0 | 0 | 0 | 111.8 | V113 E114 F115 Q121 | V113-S117 WeakPolarHBondContact O-CA 3.5Å; V113-S117 WeakPolarHBondContact O-CB 3.31Å; V113-S117 PolarHBondContact O-N 3.47Å; E114-S117 PolarHBondContact O-N 2.98Å; F115-S117 PolarHBondContact O-N 3.41Å; S117-Q121 VanDerWaalsContact O-CB 3.3Å; S117-Q121 WeakPolarHBondContact O-CB 3.17Å; S117-Q121 PolarHBondContact O-N 2.85Å |
| 118 | G | 89.9 | Confident | 85.8 | Confident | 34 Ų | 34 | 58.8 Ų | 58.8 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.8 | -49 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E114 F115 W116 A120 Q121 D122 | E114-G118 PolarHBondContact O-N 3.17Å; F115-G118 PolarHBondContact O-N 2.99Å; W116-G118 VanDerWaalsContact C-N 3.31Å; W116-G118 PolarHBondContact O-N 3.02Å; G118-A120 VanDerWaalsContact C-N 3.33Å; G118-A120 PolarHBondContact O-N 3.2Å; G118-Q121 PolarHBondContact O-N 2.86Å; G118-Q121 VanDerWaalsContact O-N 3.15Å; G118-D122 PolarHBondContact O-N 3.16Å |
| 119 | V | 89.5 | Confident | 86 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.03 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.9 | -42.8 | 177 | 177 | 0 | 0 | 0 | 0 | 112 | T97 F115 W116 D122 M123 | T97-V119 HydrophobicContact CG2-CG1 3.52Å; F115-V119 HydrophobicContact CD1-CG2 4.33Å; F115-V119 HydrophobicContact CE1-CG2 3.9Å; F115-V119 HydrophobicContact CZ-CG2 4.1Å; F115-V119 WeakPolarHBondContact O-CG2 3.3Å; F115-V119 PolarHBondContact O-N 2.68Å; F115-V119 VanDerWaalsContact O-N 3.11Å; W116-V119 HydrophobicContact CE3-CB 4.08Å; W116-V119 HydrophobicContact CE3-CG1 4.11Å; W116-V119 HydrophobicContact CE3-CG2 4.25Å; W116-V119 HydrophobicContact CZ3-CG1 4.18Å; W116-V119 PolarHBondContact O-N 2.57Å; V119-D122 PolarHBondContact O-N 2.87Å; V119-M123 HydrophobicContact CG1-SD 4Å; V119-M123 WeakPolarHBondContact O-CB 3.41Å; V119-M123 PolarHBondContact O-N 3.06Å |
| 120 | A | 87.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.7 | -38.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | W116 G118 D122 F124 T130 L133 | W116-A120 VanDerWaalsContact O-CB 3.26Å; W116-A120 WeakPolarHBondContact O-CB 3.44Å; W116-A120 PolarHBondContact O-N 2.79Å; G118-A120 VanDerWaalsContact C-N 3.33Å; G118-A120 PolarHBondContact O-N 3.2Å; A120-D122 VanDerWaalsContact C-N 3.35Å; A120-D122 PolarHBondContact O-N 3.24Å; A120-F124 CarbonylContact O-C 3.59Å; A120-F124 VanDerWaalsContact O-CA 3.25Å; A120-F124 WeakPolarHBondContact O-CA 3.38Å; A120-F124 PolarHBondContact O-N 3.2Å; A120-T130 HydrophobicContact CB-CG2 4.33Å; A120-T130 WeakPolarHBondContact CB-OG1 3.41Å; A120-T130 PolarHBondContact O-OG1 2.77Å; A120-L133 HydrophobicContact CB-CD1 3.93Å |
| 121 | Q | 88.4 | Confident | 86.3 | Confident | 80 Ų | 80 | 47.6 Ų | 47.6 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.5 | -36.3 | 177 | -175.9 | 61.3 | 92.5 | 0 | 0 | 112.9 | S117 G118 T130 | S117-Q121 VanDerWaalsContact O-CB 3.3Å; S117-Q121 WeakPolarHBondContact O-CB 3.17Å; S117-Q121 PolarHBondContact O-N 2.85Å; G118-Q121 PolarHBondContact O-N 2.86Å; G118-Q121 VanDerWaalsContact O-N 3.15Å; Q121-T130 HydrophobicContact CB-CG2 4.14Å |
| 122 | D | 86.8 | Confident | 86.4 | Confident | 131 Ų | 131 | 46.2 Ų | 46.2 | 70% | 0.701 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -78 | -41.8 | 178.7 | -69.7 | -18.3 | 0 | 0 | 0 | 112.7 | G118 V119 A120 | G118-D122 PolarHBondContact O-N 3.16Å; V119-D122 PolarHBondContact O-N 2.87Å; A120-D122 VanDerWaalsContact C-N 3.35Å; A120-D122 PolarHBondContact O-N 3.24Å |
| 123 | M | 85 | Confident | 86.4 | Confident | 58 Ų | 58 | 45.7 Ų | 45.7 | 29% | 0.286 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -97.4 | -27.8 | -171.4 | -64.3 | -174.7 | 62.7 | 0 | 0 | 114.1 | K94 T97 V119 | K94-M123 HydrophobicContact CG-CE 4.39Å; T97-M123 HydrophobicContact CG2-CE 4.2Å; T97-M123 HydrophobicContact CG2-SD 3.88Å; V119-M123 HydrophobicContact CG1-SD 4Å; V119-M123 WeakPolarHBondContact O-CB 3.41Å; V119-M123 PolarHBondContact O-N 3.06Å |
| 124 | F | 87.5 | Confident | 86.4 | Confident | 20 Ų | 20 | 49.4 Ų | 49.4 | 9% | 0.088 | 26% | 0.263 | C | S | . | . | trans | -136 | 51.3 | -172.7 | -48.4 | -64.3 | 0 | 0 | 0 | 112.8 | K94 T97 L98 A120 S126 E127 T130 | K94-F124 HydrophobicContact CB-CE1 3.99Å; K94-F124 HydrophobicContact CB-CZ 4.15Å; K94-F124 HydrophobicContact CD-CE1 4.48Å; K94-F124 HydrophobicContact CG-CE1 4.23Å; K94-F124 HydrophobicContact CG-CZ 4.47Å; K94-F124 VanDerWaalsContact O-CZ 3.26Å; K94-F124 WeakPolarHBondContact O-CZ 3.38Å; T97-F124 HydrophobicContact CG2-CE2 3.89Å; T97-F124 HydrophobicContact CG2-CZ 4.37Å; L98-F124 HydrophobicContact CB-CE2 4.15Å; L98-F124 HydrophobicContact CB-CZ 4.05Å; L98-F124 HydrophobicContact CD1-CD1 4.27Å; L98-F124 HydrophobicContact CD1-CD2 3.91Å; L98-F124 HydrophobicContact CD1-CE1 4.48Å; L98-F124 HydrophobicContact CD1-CE2 4.14Å; L98-F124 HydrophobicContact CD1-CG 4Å; L98-F124 HydrophobicContact CD1-CZ 4.44Å; A120-F124 CarbonylContact O-C 3.59Å; A120-F124 VanDerWaalsContact O-CA 3.25Å; A120-F124 WeakPolarHBondContact O-CA 3.38Å; A120-F124 PolarHBondContact O-N 3.2Å; F124-S126 PolarHBondContact O-N 3.45Å; F124-E127 HydrophobicContact CB-CB 3.92Å; F124-E127 HydrophobicContact CB-CG 3.82Å; F124-E127 HydrophobicContact CG-CG 4.5Å; F124-E127 PolarHBondContact O-N 2.97Å; F124-T130 PolarHBondContact O-OG1 3.09Å | ||
| 125 | P | 80.8 | Confident | 86.3 | Confident | 76 Ų | 76 | 45 Ų | 45 | 49% | 0.494 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -17.8 | -173.5 | 25.9 | -36.3 | 0 | 0 | 0 | 114.8 | ||
| 126 | S | 75.4 | Confident | 86.1 | Confident | 109 Ų | 109 | 44.4 Ų | 44.4 | 76% | 0.762 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | -14.3 | 177.7 | 51.7 | 0 | 0 | 0 | 0 | 114.6 | F124 | F124-S126 PolarHBondContact O-N 3.45Š|
| 127 | E | 80.6 | Confident | 85.9 | Confident | 83 Ų | 83 | 45.6 Ų | 45.6 | 39% | 0.388 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -80.1 | 148 | -172.6 | -76.2 | -62 | 158.3 | 0 | 0 | 113.6 | L98 F124 I129 T130 | L98-E127 HydrophobicContact CD1-CG 4.39Å; F124-E127 HydrophobicContact CB-CB 3.92Å; F124-E127 HydrophobicContact CB-CG 3.82Å; F124-E127 HydrophobicContact CG-CG 4.5Å; F124-E127 PolarHBondContact O-N 2.97Å; E127-I129 HydrophobicContact CB-CG2 3.96Å; E127-I129 PolarHBondContact O-N 3.37Å; E127-T130 WeakPolarHBondContact O-CB 3.41Å; E127-T130 PolarHBondContact O-N 3.42Å |
| 128 | K | 81.6 | Confident | 85.7 | Confident | 102 Ų | 102 | 45.5 Ų | 45.5 | 44% | 0.443 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63 | -29.4 | 179.3 | -172.6 | 161.1 | 179.9 | 157.1 | 0 | 112.2 | T130 F131 L132 D161 | K128-T130 VanDerWaalsContact C-N 3.31Å; K128-T130 PolarHBondContact O-N 2.82Å; K128-F131 WeakPolarHBondContact O-CB 3.12Å; K128-F131 PolarHBondContact O-N 3.4Å; K128-L132 HydrophobicContact CG-CD1 4.21Å; K128-L132 HydrophobicContact CG-CG 4.36Å; K128-L132 WeakPolarHBondContact O-CG 3.1Å; K128-L132 PolarHBondContact O-N 2.88Å; K128-D161 IonicContact NZ-OD2 2.76Å; K128-D161 PolarHBondContact NZ-OD2 3.32Å |
| 129 | I | 84.4 | Confident | 85.4 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62 | -36.8 | 178 | -167.5 | 54.9 | 0 | 0 | 0 | 112.8 | L98 C101 F102 Q105 E127 F131 L132 L133 | L98-I129 HydrophobicContact CD1-CG2 3.83Å; C101-I129 HydrophobicContact CB-CG1 3.97Å; C101-I129 HydrophobicContact CB-CG2 4.49Å; F102-I129 HydrophobicContact CD1-CB 4.44Å; F102-I129 HydrophobicContact CD1-CD1 3.63Å; F102-I129 HydrophobicContact CD1-CG1 4.04Å; F102-I129 HydrophobicContact CE1-CB 4.06Å; F102-I129 HydrophobicContact CE1-CD1 3.97Å; F102-I129 HydrophobicContact CE1-CG1 4.16Å; F102-I129 HydrophobicContact CG-CD1 4.38Å; F102-I129 HydrophobicContact CZ-CB 4.4Å; Q105-I129 HydrophobicContact CB-CD1 3.94Å; Q105-I129 HydrophobicContact CG-CD1 4.19Å; E127-I129 HydrophobicContact CB-CG2 3.96Å; E127-I129 PolarHBondContact O-N 3.37Å; I129-F131 VanDerWaalsContact C-N 3.3Å; I129-F131 PolarHBondContact O-N 3.42Å; I129-L132 PolarHBondContact O-N 2.79Å; I129-L133 HydrophobicContact CD1-CD1 4.49Å; I129-L133 HydrophobicContact CD1-CG 4.21Å; I129-L133 HydrophobicContact CG1-CD1 4.04Å; I129-L133 HydrophobicContact CG1-CG 4.25Å; I129-L133 WeakPolarHBondContact O-CB 3.22Å; I129-L133 WeakPolarHBondContact O-CG 2.89Å; I129-L133 PolarHBondContact O-N 3.44Å |
| 130 | T | 87.1 | Confident | 84.9 | Confident | 6 Ų | 6 | 53.7 Ų | 53.7 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64 | -36.9 | 178.1 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | A120 Q121 F124 E127 K128 K134 | A120-T130 HydrophobicContact CB-CG2 4.33Å; A120-T130 WeakPolarHBondContact CB-OG1 3.41Å; A120-T130 PolarHBondContact O-OG1 2.77Å; Q121-T130 HydrophobicContact CB-CG2 4.14Å; F124-T130 PolarHBondContact O-OG1 3.09Å; E127-T130 WeakPolarHBondContact O-CB 3.41Å; E127-T130 PolarHBondContact O-N 3.42Å; K128-T130 VanDerWaalsContact C-N 3.31Å; K128-T130 PolarHBondContact O-N 2.82Å; T130-K134 VanDerWaalsContact O-CB 3.32Å; T130-K134 WeakPolarHBondContact O-CB 3.3Å; T130-K134 PolarHBondContact O-N 2.78Å |
| 131 | F | 87.4 | Confident | 84.5 | Confident | 12 Ų | 12 | 56 Ų | 56 | 5% | 0.053 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.3 | -47.7 | 172 | 164.8 | -94.3 | 0 | 0 | 0 | 111.4 | K128 I129 K134 E135 L150 L151 Q154 V164 | K128-F131 WeakPolarHBondContact O-CB 3.12Å; K128-F131 PolarHBondContact O-N 3.4Å; I129-F131 VanDerWaalsContact C-N 3.3Å; I129-F131 PolarHBondContact O-N 3.42Å; F131-K134 PolarHBondContact O-N 2.92Å; F131-E135 VanDerWaalsContact CE1-OE2 3.27Å; F131-E135 WeakPolarHBondContact CE1-OE2 3.47Å; F131-E135 VanDerWaalsContact O-CB 3.32Å; F131-E135 WeakPolarHBondContact O-CB 3.31Å; F131-E135 PolarHBondContact O-N 2.77Å; F131-L150 HydrophobicContact CD2-CD1 4.1Å; F131-L150 HydrophobicContact CD2-CD2 4.28Å; F131-L150 HydrophobicContact CD2-CG 3.97Å; F131-L150 HydrophobicContact CE2-CD1 4.49Å; F131-L150 HydrophobicContact CE2-CD2 4.3Å; F131-L150 HydrophobicContact CE2-CG 3.91Å; F131-L151 HydrophobicContact CE2-CD2 4.1Å; F131-L151 HydrophobicContact CZ-CD2 3.72Å; F131-Q154 HydrophobicContact CD1-CG 4.41Å; F131-Q154 HydrophobicContact CD2-CB 3.74Å; F131-Q154 HydrophobicContact CD2-CG 3.77Å; F131-Q154 HydrophobicContact CE1-CG 4.27Å; F131-Q154 HydrophobicContact CE2-CB 3.39Å; F131-Q154 HydrophobicContact CE2-CG 3.61Å; F131-Q154 HydrophobicContact CG-CG 4.18Å; F131-Q154 HydrophobicContact CZ-CB 4.04Å; F131-Q154 HydrophobicContact CZ-CG 3.88Å; F131-V164 HydrophobicContact CE1-CG2 3.96Å; F131-V164 HydrophobicContact CZ-CG1 4.1Å; F131-V164 HydrophobicContact CZ-CG2 3.95Å |
| 132 | L | 86.3 | Confident | 84 | Confident | 38 Ų | 38 | 58.6 Ų | 58.6 | 20% | 0.199 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.4 | -41.7 | -177.4 | -67.5 | 172.1 | 0 | 0 | 0 | 113.3 | Q105 K128 I129 E135 K136 | Q105-L132 HydrophobicContact CG-CB 4.47Å; K128-L132 HydrophobicContact CG-CD1 4.21Å; K128-L132 HydrophobicContact CG-CG 4.36Å; K128-L132 WeakPolarHBondContact O-CG 3.1Å; K128-L132 PolarHBondContact O-N 2.88Å; I129-L132 PolarHBondContact O-N 2.79Å; L132-E135 PolarHBondContact O-N 2.89Å; L132-K136 WeakPolarHBondContact O-CB 3.34Å; L132-K136 PolarHBondContact O-N 2.98Å |
| 133 | L | 87.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 175.1 | -71.1 | 171 | 0 | 0 | 0 | 111 | C101 A104 Q105 V113 A120 I129 K136 V137 | C101-L133 HydrophobicContact CB-CD1 4.07Å; A104-L133 HydrophobicContact CB-CD2 4.08Å; Q105-L133 HydrophobicContact CB-CD2 4.27Å; V113-L133 HydrophobicContact CG1-CB 4.49Å; V113-L133 HydrophobicContact CG1-CD2 3.84Å; A120-L133 HydrophobicContact CB-CD1 3.93Å; I129-L133 HydrophobicContact CD1-CD1 4.49Å; I129-L133 HydrophobicContact CD1-CG 4.21Å; I129-L133 HydrophobicContact CG1-CD1 4.04Å; I129-L133 HydrophobicContact CG1-CG 4.25Å; I129-L133 WeakPolarHBondContact O-CB 3.22Å; I129-L133 WeakPolarHBondContact O-CG 2.89Å; I129-L133 PolarHBondContact O-N 3.44Å; L133-K136 PolarHBondContact O-N 2.83Å; L133-V137 WeakPolarHBondContact O-CG2 3.43Å; L133-V137 PolarHBondContact O-N 2.87Å |
| 134 | K | 87.1 | Confident | 83.8 | Confident | 80 Ų | 80 | 55.9 Ų | 55.9 | 35% | 0.348 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.1 | -38.2 | 178.7 | -166.5 | 175.7 | -178.7 | 171.7 | 0 | 112.4 | T130 F131 V137 L138 L150 | T130-K134 VanDerWaalsContact O-CB 3.32Å; T130-K134 WeakPolarHBondContact O-CB 3.3Å; T130-K134 PolarHBondContact O-N 2.78Å; F131-K134 PolarHBondContact O-N 2.92Å; K134-V137 PolarHBondContact O-N 2.8Å; K134-L138 HydrophobicContact CG-CD1 4.3Å; K134-L138 WeakPolarHBondContact O-CB 3.06Å; K134-L138 VanDerWaalsContact O-CG 3.29Å; K134-L138 WeakPolarHBondContact O-CG 3.33Å; K134-L138 PolarHBondContact O-N 3.28Å; K134-L150 HydrophobicContact CB-CD2 4.05Å; K134-L150 HydrophobicContact CD-CD1 3.92Å; K134-L150 HydrophobicContact CD-CD2 4.26Å; K134-L150 HydrophobicContact CG-CD2 3.94Å |
| 135 | E | 87.8 | Confident | 83.8 | Confident | 18 Ų | 18 | 59.8 Ų | 59.8 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.8 | -48.3 | 170.6 | 174.3 | 169.8 | -144.2 | 0 | 0 | 110.8 | F131 L132 V137 L138 T139 L147 L150 L151 R167 | F131-E135 VanDerWaalsContact CE1-OE2 3.27Å; F131-E135 WeakPolarHBondContact CE1-OE2 3.47Å; F131-E135 VanDerWaalsContact O-CB 3.32Å; F131-E135 WeakPolarHBondContact O-CB 3.31Å; F131-E135 PolarHBondContact O-N 2.77Å; L132-E135 PolarHBondContact O-N 2.89Å; E135-V137 PolarHBondContact O-N 3.5Å; E135-L138 PolarHBondContact O-N 2.91Å; E135-T139 VanDerWaalsContact O-CB 3.27Å; E135-T139 WeakPolarHBondContact O-CB 3.39Å; E135-T139 PolarHBondContact O-N 3.36Å; E135-T139 PolarHBondContact O-OG1 3.11Å; E135-L147 HydrophobicContact CG-CD1 4.13Å; E135-L150 HydrophobicContact CB-CD2 4.17Å; E135-L151 WeakPolarHBondContact OE1-CD2 3.27Å; E135-R167 IonicContact OE1-CZ 2.92Å; E135-R167 IonicContact OE1-NE 3.39Å; E135-R167 PolarHBondContact OE1-NE 3.31Å; E135-R167 IonicContact OE1-NH2 2.76Å; E135-R167 PolarHBondContact OE1-NH2 2.69Å; E135-R167 IonicContact OE2-CZ 3.3Å; E135-R167 IonicContact OE2-NE 3.33Å; E135-R167 IonicContact OE2-NH2 2.75Å; E135-R167 PolarHBondContact OE2-NH2 3.2Å |
| 136 | K | 85.8 | Confident | 84.1 | Confident | 63 Ų | 63 | 60.8 Ų | 60.8 | 27% | 0.274 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 177.6 | -168.5 | 175.6 | -173.3 | -177.1 | 0 | 112.5 | Q105 E106 S107 V113 L132 L133 R140 | Q105-K136 WeakPolarHBondContact O-CD 3.49Å; Q105-K136 PolarHBondContact O-NZ 3.23Å; E106-K136 PolarHBondContact O-NZ 3.46Å; S107-K136 PolarHBondContact O-NZ 2.97Å; V113-K136 HydrophobicContact CG1-CB 4.25Å; V113-K136 HydrophobicContact CG1-CD 4.17Å; V113-K136 HydrophobicContact CG1-CG 4.35Å; V113-K136 HydrophobicContact CG2-CD 4.3Å; L132-K136 WeakPolarHBondContact O-CB 3.34Å; L132-K136 PolarHBondContact O-N 2.98Å; L133-K136 PolarHBondContact O-N 2.83Å; K136-R140 WeakPolarHBondContact O-CB 3.32Å; K136-R140 PolarHBondContact O-N 2.91Å |
| 137 | V | 86.9 | Confident | 84.7 | Confident | 26 Ų | 26 | 56 Ų | 56 | 16% | 0.158 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.6 | -52.4 | 175.1 | 171 | 0 | 0 | 0 | 0 | 111.2 | V113 E114 L133 K134 E135 T139 R140 G141 | V113-V137 HydrophobicContact CB-CG2 4.21Å; V113-V137 HydrophobicContact CG1-CG2 3.75Å; E114-V137 HydrophobicContact CG-CB 4.49Å; E114-V137 HydrophobicContact CG-CG1 3.81Å; E114-V137 HydrophobicContact CG-CG2 3.79Å; L133-V137 WeakPolarHBondContact O-CG2 3.43Å; L133-V137 PolarHBondContact O-N 2.87Å; K134-V137 PolarHBondContact O-N 2.8Å; E135-V137 PolarHBondContact O-N 3.5Å; V137-T139 PolarHBondContact O-N 2.78Å; V137-R140 PolarHBondContact O-N 2.85Å; V137-G141 PolarHBondContact O-N 2.93Å |
| 138 | L | 85.5 | Confident | 85 | Confident | 13 Ų | 13 | 53.5 Ų | 53.5 | 7% | 0.068 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.8 | -36.5 | -176 | -67.3 | 177.6 | 0 | 0 | 0 | 113 | K134 E135 R140 G141 D142 K143 E146 L147 L150 | K134-L138 HydrophobicContact CG-CD1 4.3Å; K134-L138 WeakPolarHBondContact O-CB 3.06Å; K134-L138 VanDerWaalsContact O-CG 3.29Å; K134-L138 WeakPolarHBondContact O-CG 3.33Å; K134-L138 PolarHBondContact O-N 3.28Å; E135-L138 PolarHBondContact O-N 2.91Å; L138-R140 VanDerWaalsContact C-N 3.34Å; L138-G141 PolarHBondContact O-N 3.44Å; L138-D142 PolarHBondContact O-N 3.22Å; L138-K143 HydrophobicContact CD2-CB 4.11Å; L138-K143 HydrophobicContact CD2-CD 3.94Å; L138-K143 PolarHBondContact O-N 2.72Å; L138-K143 VanDerWaalsContact O-N 3.15Å; L138-E146 HydrophobicContact CD1-CB 4.08Å; L138-E146 HydrophobicContact CD2-CB 3.83Å; L138-E146 VanDerWaalsContact CD2-OE2 3.23Å; L138-E146 WeakPolarHBondContact CD2-OE2 3.24Å; L138-L147 HydrophobicContact CB-CB 4.1Å; L138-L147 HydrophobicContact CB-CD1 4.14Å; L138-L150 HydrophobicContact CD1-CB 4.21Å; L138-L150 HydrophobicContact CD1-CD2 3.92Å |
| 139 | T | 83.8 | Confident | 85.4 | Confident | 81 Ų | 81 | 56.1 Ų | 56.1 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 176.9 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | E135 V137 L147 | E135-T139 VanDerWaalsContact O-CB 3.27Å; E135-T139 WeakPolarHBondContact O-CB 3.39Å; E135-T139 PolarHBondContact O-N 3.36Å; E135-T139 PolarHBondContact O-OG1 3.11Å; V137-T139 PolarHBondContact O-N 2.78Å; T139-L147 WeakPolarHBondContact OG1-CD2 3.29Å |
| 140 | R | 80 | Confident | 85.6 | Confident | 130 Ų | 130 | 56.9 Ų | 56.9 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -84.7 | -20.2 | -178.4 | -161.7 | 160.6 | 171.6 | -156 | 0.8 | 113.9 | R108 I110 K136 V137 L138 D142 | R108-R140 VanDerWaalsContact O-CZ 3.28Å; R108-R140 PolarHBondContact O-NH1 3.36Å; R108-R140 PolarHBondContact O-NH2 2.66Å; I110-R140 HydrophobicContact CD1-CG 3.79Å; I110-R140 HydrophobicContact CG1-CG 4.25Å; I110-R140 VanDerWaalsContact CG1-CZ 3.44Å; K136-R140 WeakPolarHBondContact O-CB 3.32Å; K136-R140 PolarHBondContact O-N 2.91Å; V137-R140 PolarHBondContact O-N 2.85Å; L138-R140 VanDerWaalsContact C-N 3.34Å; R140-D142 VanDerWaalsContact C-N 3.27Å |
| 141 | G | 79.2 | Confident | 85.7 | Confident | 49 Ų | 49 | 56.7 Ų | 56.7 | 51% | 0.505 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 3.4 | 169 | 0 | 0 | 0 | 0 | 0 | 114.9 | V137 L138 K143 | V137-G141 PolarHBondContact O-N 2.93Å; L138-G141 PolarHBondContact O-N 3.44Å; G141-K143 WeakPolarHBondContact O-CG 3.32Å; G141-K143 PolarHBondContact O-N 2.73Å; G141-K143 VanDerWaalsContact O-N 3.14Å |
| 142 | D | 76.8 | Confident | 85.7 | Confident | 133 Ų | 133 | 60.8 Ų | 60.8 | 71% | 0.711 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 31.1 | -175.3 | -161.3 | 24.8 | 0 | 0 | 0 | 113.9 | L138 R140 V144 | L138-D142 PolarHBondContact O-N 3.22Å; R140-D142 VanDerWaalsContact C-N 3.27Å; D142-V144 VanDerWaalsContact C-N 3.25Å; D142-V144 PolarHBondContact O-N 2.65Å |
| 143 | K | 83.6 | Confident | 85.8 | Confident | 95 Ų | 95 | 61 Ų | 61 | 41% | 0.413 | 32% | 0.316 | S | S | . | . | trans | -88.4 | 58.1 | -176.2 | -67.3 | -158.7 | -178.7 | -172.6 | 0 | 111.9 | L138 G141 P145 E146 L147 | L138-K143 HydrophobicContact CD2-CB 4.11Å; L138-K143 HydrophobicContact CD2-CD 3.94Å; L138-K143 PolarHBondContact O-N 2.72Å; L138-K143 VanDerWaalsContact O-N 3.15Å; G141-K143 WeakPolarHBondContact O-CG 3.32Å; G141-K143 PolarHBondContact O-N 2.73Å; G141-K143 VanDerWaalsContact O-N 3.14Å; K143-P145 VanDerWaalsContact C-CD 3.43Å; K143-P145 VanDerWaalsContact C-N 3.32Å; K143-P145 VanDerWaalsContact O-N 3.11Å; K143-E146 HydrophobicContact CB-CB 4.22Å; K143-E146 VanDerWaalsContact CD-CD 3.43Å; K143-E146 HydrophobicContact CD-CG 4.39Å; K143-E146 WeakPolarHBondContact CD-OE1 3.44Å; K143-E146 WeakPolarHBondContact CD-OE2 3.23Å; K143-E146 VanDerWaalsContact NZ-CD 3.35Å; K143-E146 IonicContact NZ-OE1 2.66Å; K143-E146 PolarHBondContact NZ-OE1 3.19Å; K143-E146 IonicContact NZ-OE2 2.77Å; K143-E146 PolarHBondContact NZ-OE2 2.86Å; K143-E146 PolarHBondContact O-N 2.67Å; K143-L147 PolarHBondContact O-N 2.93Å | ||
| 144 | V | 85.3 | Confident | 85.7 | Confident | 37 Ų | 37 | 62.3 Ų | 62.3 | 22% | 0.224 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -46 | -44.5 | -174.4 | -178.2 | 0 | 0 | 0 | 0 | 114 | D142 L147 L148 L171 | D142-V144 VanDerWaalsContact C-N 3.25Å; D142-V144 PolarHBondContact O-N 2.65Å; V144-L147 PolarHBondContact O-N 2.77Å; V144-L148 HydrophobicContact CG1-CD1 3.98Å; V144-L148 HydrophobicContact CG1-CG 4.29Å; V144-L148 WeakPolarHBondContact O-CB 3.29Å; V144-L148 WeakPolarHBondContact O-CG 3.48Å; V144-L148 PolarHBondContact O-N 3.02Å; V144-L171 HydrophobicContact CG1-CD1 4.16Å; V144-L171 HydrophobicContact CG1-CG 4.35Å |
| 145 | P | 86.6 | Confident | 85.6 | Confident | 102 Ų | 102 | 58.6 Ų | 58.6 | 66% | 0.662 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -69.1 | -35.1 | -180 | -20 | 34 | 0 | 0 | 0 | 114.5 | K143 K149 | K143-P145 VanDerWaalsContact C-CD 3.43Å; K143-P145 VanDerWaalsContact C-N 3.32Å; K143-P145 VanDerWaalsContact O-N 3.11Å; P145-K149 PolarHBondContact O-N 3.44Å |
| 146 | E | 86.9 | Confident | 85.4 | Confident | 97 Ų | 97 | 65.2 Ų | 65.2 | 45% | 0.453 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -71.3 | -37.3 | 175.1 | -70.7 | 179 | -153.6 | 0 | 0 | 110.3 | L138 K143 L150 | L138-E146 HydrophobicContact CD1-CB 4.08Å; L138-E146 HydrophobicContact CD2-CB 3.83Å; L138-E146 VanDerWaalsContact CD2-OE2 3.23Å; L138-E146 WeakPolarHBondContact CD2-OE2 3.24Å; K143-E146 HydrophobicContact CB-CB 4.22Å; K143-E146 VanDerWaalsContact CD-CD 3.43Å; K143-E146 HydrophobicContact CD-CG 4.39Å; K143-E146 WeakPolarHBondContact CD-OE1 3.44Å; K143-E146 WeakPolarHBondContact CD-OE2 3.23Å; K143-E146 VanDerWaalsContact NZ-CD 3.35Å; K143-E146 IonicContact NZ-OE1 2.66Å; K143-E146 PolarHBondContact NZ-OE1 3.19Å; K143-E146 IonicContact NZ-OE2 2.77Å; K143-E146 PolarHBondContact NZ-OE2 2.86Å; K143-E146 PolarHBondContact O-N 2.67Å; E146-L150 PolarHBondContact O-N 2.98Å |
| 147 | L | 88.7 | Confident | 85.2 | Confident | 9 Ų | 9 | 68 Ų | 68 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.6 | -47.2 | 177.6 | -177.3 | 59.8 | 0 | 0 | 0 | 111.9 | E135 L138 T139 K143 V144 K149 L150 L151 L171 | E135-L147 HydrophobicContact CG-CD1 4.13Å; L138-L147 HydrophobicContact CB-CB 4.1Å; L138-L147 HydrophobicContact CB-CD1 4.14Å; T139-L147 WeakPolarHBondContact OG1-CD2 3.29Å; K143-L147 PolarHBondContact O-N 2.93Å; V144-L147 PolarHBondContact O-N 2.77Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 3.35Å; L147-L150 WeakPolarHBondContact O-CB 3.28Å; L147-L150 PolarHBondContact O-N 2.95Å; L147-L151 HydrophobicContact CD1-CG 4.29Å; L147-L151 HydrophobicContact CG-CD1 4.35Å; L147-L151 HydrophobicContact CG-CG 4.5Å; L147-L151 WeakPolarHBondContact O-CG 3.3Å; L147-L151 PolarHBondContact O-N 2.62Å; L147-L171 HydrophobicContact CB-CD2 4.1Å; L147-L171 HydrophobicContact CD2-CD1 4.06Å; L147-L171 HydrophobicContact CD2-CD2 3.57Å; L147-L171 HydrophobicContact CD2-CG 4.48Å; L147-L171 HydrophobicContact CG-CD2 3.58Å |
| 148 | L | 87.7 | Confident | 84.8 | Confident | 31 Ų | 31 | 68.9 Ų | 68.9 | 16% | 0.162 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -52.6 | -50.6 | 174 | -76.9 | 169.1 | 0 | 0 | 0 | 111 | V144 L150 L151 E152 L168 L171 L172 | V144-L148 HydrophobicContact CG1-CD1 3.98Å; V144-L148 HydrophobicContact CG1-CG 4.29Å; V144-L148 WeakPolarHBondContact O-CB 3.29Å; V144-L148 WeakPolarHBondContact O-CG 3.48Å; V144-L148 PolarHBondContact O-N 3.02Å; L148-L150 VanDerWaalsContact C-N 3.29Å; L148-L150 PolarHBondContact O-N 2.87Å; L148-L151 PolarHBondContact O-N 3.34Å; L148-E152 WeakPolarHBondContact O-CB 3.48Å; L148-E152 WeakPolarHBondContact O-CG 3.36Å; L148-E152 PolarHBondContact O-N 2.86Å; L148-L168 HydrophobicContact CD2-CD1 3.58Å; L148-L171 HydrophobicContact CD2-CD2 3.74Å; L148-L171 HydrophobicContact CD2-CG 4.04Å; L148-L171 HydrophobicContact CG-CD2 3.85Å; L148-L171 HydrophobicContact CG-CG 4.37Å; L148-L172 HydrophobicContact CD2-CD2 3.65Å; L148-L172 HydrophobicContact CD2-CG 3.96Å |
| 149 | K | 88.6 | Confident | 84.5 | Confident | 157 Ų | 157 | 72 Ų | 72 | 68% | 0.683 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.7 | -34.4 | 177.7 | -173.2 | 175.5 | -179.1 | 177.9 | 0 | 113 | P145 L147 S153 | P145-K149 PolarHBondContact O-N 3.44Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 3.35Å; K149-S153 VanDerWaalsContact O-CB 3.28Å; K149-S153 WeakPolarHBondContact O-CB 3.22Å; K149-S153 PolarHBondContact O-N 3.2Å; K149-S153 PolarHBondContact O-OG 2.85Å |
| 150 | L | 88.9 | Confident | 84.2 | Confident | 18 Ų | 18 | 72.2 Ų | 72.2 | 9% | 0.094 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.8 | -50.6 | 174.7 | -178.8 | 66.3 | 0 | 0 | 0 | 111.1 | F131 K134 E135 L138 E146 L147 L148 S153 Q154 | F131-L150 HydrophobicContact CD2-CD1 4.1Å; F131-L150 HydrophobicContact CD2-CD2 4.28Å; F131-L150 HydrophobicContact CD2-CG 3.97Å; F131-L150 HydrophobicContact CE2-CD1 4.49Å; F131-L150 HydrophobicContact CE2-CD2 4.3Å; F131-L150 HydrophobicContact CE2-CG 3.91Å; K134-L150 HydrophobicContact CB-CD2 4.05Å; K134-L150 HydrophobicContact CD-CD1 3.92Å; K134-L150 HydrophobicContact CD-CD2 4.26Å; K134-L150 HydrophobicContact CG-CD2 3.94Å; E135-L150 HydrophobicContact CB-CD2 4.17Å; L138-L150 HydrophobicContact CD1-CB 4.21Å; L138-L150 HydrophobicContact CD1-CD2 3.92Å; E146-L150 PolarHBondContact O-N 2.98Å; L147-L150 WeakPolarHBondContact O-CB 3.28Å; L147-L150 PolarHBondContact O-N 2.95Å; L148-L150 VanDerWaalsContact C-N 3.29Å; L148-L150 PolarHBondContact O-N 2.87Å; L150-S153 PolarHBondContact O-N 2.83Å; L150-S153 PolarHBondContact O-OG 3.44Å; L150-Q154 PolarHBondContact O-N 3.11Å |
| 151 | L | 89.6 | Confident | 84.3 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62 | -43.8 | 179.6 | -61.7 | 179.8 | 0 | 0 | 0 | 111.6 | F131 E135 L147 L148 S153 Q154 L155 V164 L168 L171 | F131-L151 HydrophobicContact CE2-CD2 4.1Å; F131-L151 HydrophobicContact CZ-CD2 3.72Å; E135-L151 WeakPolarHBondContact OE1-CD2 3.27Å; L147-L151 HydrophobicContact CD1-CG 4.29Å; L147-L151 HydrophobicContact CG-CD1 4.35Å; L147-L151 HydrophobicContact CG-CG 4.5Å; L147-L151 WeakPolarHBondContact O-CG 3.3Å; L147-L151 PolarHBondContact O-N 2.62Å; L148-L151 PolarHBondContact O-N 3.34Å; L151-S153 PolarHBondContact O-N 3.11Å; L151-Q154 PolarHBondContact O-N 3.44Å; L151-L155 PolarHBondContact O-N 3.43Å; L151-V164 HydrophobicContact CB-CG1 4.44Å; L151-V164 HydrophobicContact CD2-CG1 4.13Å; L151-L168 HydrophobicContact CB-CB 4.25Å; L151-L168 HydrophobicContact CB-CD1 4.16Å; L151-L168 HydrophobicContact CD1-CB 4.09Å; L151-L168 HydrophobicContact CD1-CD1 4.27Å; L151-L171 HydrophobicContact CD1-CD2 3.87Å |
| 152 | E | 88.4 | Confident | 84.6 | Confident | 98 Ų | 98 | 65.9 Ų | 65.9 | 46% | 0.458 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 172.9 | -73.4 | -178.7 | 159.3 | 0 | 0 | 112.1 | L148 Q154 L155 Q156 L168 | L148-E152 WeakPolarHBondContact O-CB 3.48Å; L148-E152 WeakPolarHBondContact O-CG 3.36Å; L148-E152 PolarHBondContact O-N 2.86Å; E152-Q154 PolarHBondContact O-N 3.44Å; E152-L155 PolarHBondContact O-N 3.32Å; E152-Q156 WeakPolarHBondContact O-CG 3.38Å; E152-Q156 PolarHBondContact O-N 2.93Å; E152-L168 HydrophobicContact CG-CD2 4.36Å |
| 153 | S | 86.5 | Confident | 85.1 | Confident | 41 Ų | 41 | 63.4 Ų | 63.4 | 29% | 0.287 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.3 | -26.6 | 178.1 | 77.3 | 0 | 0 | 0 | 0 | 113.3 | K149 L150 L151 K157 | K149-S153 VanDerWaalsContact O-CB 3.28Å; K149-S153 WeakPolarHBondContact O-CB 3.22Å; K149-S153 PolarHBondContact O-N 3.2Å; K149-S153 PolarHBondContact O-OG 2.85Å; L150-S153 PolarHBondContact O-N 2.83Å; L150-S153 PolarHBondContact O-OG 3.44Å; L151-S153 PolarHBondContact O-N 3.11Å; S153-K157 WeakPolarHBondContact O-CG 3.43Å |
| 154 | Q | 85.2 | Confident | 85.3 | Confident | 28 Ų | 28 | 58.9 Ų | 58.9 | 13% | 0.131 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -79.1 | -41.9 | 175 | -174.4 | 62.7 | 14.9 | 0 | 0 | 111 | F131 L150 L151 E152 Q156 K157 D158 V164 | F131-Q154 HydrophobicContact CD1-CG 4.41Å; F131-Q154 HydrophobicContact CD2-CB 3.74Å; F131-Q154 HydrophobicContact CD2-CG 3.77Å; F131-Q154 HydrophobicContact CE1-CG 4.27Å; F131-Q154 HydrophobicContact CE2-CB 3.39Å; F131-Q154 HydrophobicContact CE2-CG 3.61Å; F131-Q154 HydrophobicContact CG-CG 4.18Å; F131-Q154 HydrophobicContact CZ-CB 4.04Å; F131-Q154 HydrophobicContact CZ-CG 3.88Å; L150-Q154 PolarHBondContact O-N 3.11Å; L151-Q154 PolarHBondContact O-N 3.44Å; E152-Q154 PolarHBondContact O-N 3.44Å; Q154-Q156 VanDerWaalsContact C-N 3.3Å; Q154-Q156 PolarHBondContact O-N 2.59Å; Q154-K157 WeakPolarHBondContact O-CB 3.36Å; Q154-K157 PolarHBondContact O-N 3.25Å; Q154-D158 PolarHBondContact O-N 3.12Å; Q154-V164 HydrophobicContact CB-CG1 4.28Å; Q154-V164 HydrophobicContact CG-CG1 4.27Å; Q154-V164 HydrophobicContact CG-CG2 4.23Å |
| 155 | L | 84.8 | Confident | 85.5 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.7 | -33.4 | 172.6 | -75.4 | 159.3 | 0 | 0 | 0 | 112.1 | L151 E152 K157 D158 E159 V164 C165 L168 | L151-L155 PolarHBondContact O-N 3.43Å; E152-L155 PolarHBondContact O-N 3.32Å; L155-K157 PolarHBondContact O-N 2.95Å; L155-D158 CarbonylContact O-C 3.56Å; L155-D158 PolarHBondContact O-N 3.04Å; L155-E159 VanDerWaalsContact O-CA 3.32Å; L155-E159 WeakPolarHBondContact O-CA 3.37Å; L155-E159 WeakPolarHBondContact O-CG 3.42Å; L155-E159 PolarHBondContact O-N 2.99Å; L155-V164 HydrophobicContact CD1-CG1 4.13Å; L155-V164 HydrophobicContact CD2-CB 4.45Å; L155-V164 HydrophobicContact CD2-CG1 4.35Å; L155-V164 HydrophobicContact CG-CB 4.44Å; L155-V164 HydrophobicContact CG-CG1 3.82Å; L155-C165 HydrophobicContact CD2-CB 4.07Å; L155-L168 HydrophobicContact CD1-CB 4.23Å; L155-L168 HydrophobicContact CD1-CD2 3.44Å; L155-L168 VanDerWaalsContact CD1-CD2 3.44Å; L155-L168 HydrophobicContact CD1-CG 4.47Å |
| 156 | Q | 83.8 | Confident | 85.6 | Confident | 157 Ų | 157 | 52.8 Ų | 52.8 | 73% | 0.734 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -22.6 | 171.3 | -76.5 | 176.7 | 2.4 | 0 | 0 | 113.8 | E152 Q154 | E152-Q156 WeakPolarHBondContact O-CG 3.38Å; E152-Q156 PolarHBondContact O-N 2.93Å; Q154-Q156 VanDerWaalsContact C-N 3.3Å; Q154-Q156 PolarHBondContact O-N 2.59Å |
| 157 | K | 81.6 | Confident | 85.8 | Confident | 123 Ų | 123 | 50.1 Ų | 50.1 | 54% | 0.535 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -26.8 | 172.6 | -66.1 | 171.5 | -175 | 174.4 | 0 | 112.6 | S153 Q154 L155 R918 | S153-K157 WeakPolarHBondContact O-CG 3.43Å; Q154-K157 WeakPolarHBondContact O-CB 3.36Å; Q154-K157 PolarHBondContact O-N 3.25Å; L155-K157 PolarHBondContact O-N 2.95Å; K157-R918 PolarHBondContact O-NH2 2.93Å |
| 158 | D | 78.5 | Confident | 85.8 | Confident | 43 Ų | 43 | 49.9 Ų | 49.9 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | trans | -151.1 | 85.5 | -176.4 | -155.1 | -41.5 | 0 | 0 | 0 | 110.5 | Q154 L155 S160 D161 R918 | Q154-D158 PolarHBondContact O-N 3.12Å; L155-D158 CarbonylContact O-C 3.56Å; L155-D158 PolarHBondContact O-N 3.04Å; D158-S160 PolarHBondContact O-N 3.09Å; D158-S160 WeakPolarHBondContact OD1-CB 3.33Å; D158-S160 PolarHBondContact OD1-N 2.92Å; D158-S160 PolarHBondContact OD1-OG 2.75Å; D158-D161 PolarHBondContact O-N 3.41Å; D158-D161 PolarHBondContact OD1-N 3.43Å; D158-R918 IonicContact OD2-CZ 3.69Å; D158-R918 IonicContact OD2-NH2 3.85Å; D158-R918 PolarHBondContact OD2-NH2 2.8Å | ||
| 159 | E | 80.1 | Confident | 85.8 | Confident | 80 Ų | 80 | 48.4 Ų | 48.4 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -3.5 | 179.3 | -67.2 | -156.7 | 133 | 0 | 0 | 112.7 | L155 R193 | L155-E159 VanDerWaalsContact O-CA 3.32Å; L155-E159 WeakPolarHBondContact O-CA 3.37Å; L155-E159 WeakPolarHBondContact O-CG 3.42Å; L155-E159 PolarHBondContact O-N 2.99Å; E159-R193 VanDerWaalsContact O-CD 3.27Å; E159-R193 WeakPolarHBondContact O-CD 3.3Å; E159-R193 IonicContact OE1-NH2 3.37Å; E159-R193 IonicContact OE2-CZ 3.53Å; E159-R193 IonicContact OE2-NH1 2.66Å; E159-R193 PolarHBondContact OE2-NH1 3.46Å; E159-R193 IonicContact OE2-NH2 2.62Å |
| 160 | S | 76.6 | Confident | 85.9 | Confident | 84 Ų | 84 | 41.4 Ų | 41.4 | 59% | 0.587 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | -20.6 | -178 | 81.6 | 0 | 0 | 0 | 0 | 114.2 | D158 S162 H194 | D158-S160 PolarHBondContact O-N 3.09Å; D158-S160 WeakPolarHBondContact OD1-CB 3.33Å; D158-S160 PolarHBondContact OD1-N 2.92Å; D158-S160 PolarHBondContact OD1-OG 2.75Å; S160-S162 PolarHBondContact O-N 3.32Å; S160-H194 PolarHBondContact O-CE1 2.79Å; S160-H194 PolarHBondContact O-ND1 3.11Å |
| 161 | D | 82.4 | Confident | 85.8 | Confident | 27 Ų | 27 | 41.8 Ų | 41.8 | 14% | 0.144 | 21% | 0.211 | C | C | . | . | trans | -66 | 95.6 | -179.5 | -167 | -35.5 | 0 | 0 | 0 | 110.6 | K128 D158 E163 V164 C165 | K128-D161 IonicContact NZ-OD2 2.76Å; K128-D161 PolarHBondContact NZ-OD2 3.32Å; D158-D161 PolarHBondContact O-N 3.41Å; D158-D161 PolarHBondContact OD1-N 3.43Å; D161-E163 PolarHBondContact O-N 3.35Å; D161-E163 WeakPolarHBondContact OD1-CB 3.42Å; D161-E163 PolarHBondContact OD1-N 3.35Å; D161-V164 HydrophobicContact CB-CB 4.38Å; D161-V164 HydrophobicContact CB-CG2 4.29Å; D161-V164 PolarHBondContact OD1-N 2.91Å; D161-C165 WeakPolarHBondContact O-CB 3.27Å; D161-C165 PolarHBondContact O-N 3.34Å; D161-C165 VanDerWaalsContact O-N 3.16Å | ||
| 162 | S | 86.1 | Confident | 85.7 | Confident | 19 Ų | 19 | 42.5 Ų | 42.5 | 13% | 0.133 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.5 | -28.1 | -179.6 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | S160 C165 I166 H194 I197 | S160-S162 PolarHBondContact O-N 3.32Å; S162-C165 CarbonylContact O-C 3.12Å; S162-C165 WeakPolarHBondContact O-CB 3.16Å; S162-C165 PolarHBondContact O-N 3.22Å; S162-I166 VanDerWaalsContact O-CG1 3.26Å; S162-I166 WeakPolarHBondContact O-CG1 3.32Å; S162-I166 PolarHBondContact O-N 2.93Å; S162-H194 WeakPolarHBondContact CB-ND1 3.34Å; S162-I197 WeakPolarHBondContact OG-CD1 3.43Å |
| 163 | E | 87.1 | Confident | 85.5 | Confident | 81 Ų | 81 | 39.1 Ų | 39.1 | 38% | 0.379 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -78.5 | -41.4 | -172 | -179.7 | 48.3 | -135.6 | 0 | 0 | 110 | D161 C165 I166 R167 | D161-E163 PolarHBondContact O-N 3.35Å; D161-E163 WeakPolarHBondContact OD1-CB 3.42Å; D161-E163 PolarHBondContact OD1-N 3.35Å; E163-C165 VanDerWaalsContact C-N 3.27Å; E163-C165 PolarHBondContact O-N 2.92Å; E163-I166 PolarHBondContact O-N 2.98Å; E163-R167 VanDerWaalsContact CG-NH1 3.33Å; E163-R167 PolarHBondContact O-N 3.48Å; E163-R167 VanDerWaalsContact O-N 3.12Å; E163-R167 IonicContact OE1-CZ 3.41Å; E163-R167 IonicContact OE1-NH1 2.66Å; E163-R167 PolarHBondContact OE1-NH1 2.85Å |
| 164 | V | 87.4 | Confident | 85.3 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -35.4 | 165.9 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | F131 L151 Q154 L155 D161 L168 | F131-V164 HydrophobicContact CE1-CG2 3.96Å; F131-V164 HydrophobicContact CZ-CG1 4.1Å; F131-V164 HydrophobicContact CZ-CG2 3.95Å; L151-V164 HydrophobicContact CB-CG1 4.44Å; L151-V164 HydrophobicContact CD2-CG1 4.13Å; Q154-V164 HydrophobicContact CB-CG1 4.28Å; Q154-V164 HydrophobicContact CG-CG1 4.27Å; Q154-V164 HydrophobicContact CG-CG2 4.23Å; L155-V164 HydrophobicContact CD1-CG1 4.13Å; L155-V164 HydrophobicContact CD2-CB 4.45Å; L155-V164 HydrophobicContact CD2-CG1 4.35Å; L155-V164 HydrophobicContact CG-CB 4.44Å; L155-V164 HydrophobicContact CG-CG1 3.82Å; D161-V164 HydrophobicContact CB-CB 4.38Å; D161-V164 HydrophobicContact CB-CG2 4.29Å; D161-V164 PolarHBondContact OD1-N 2.91Å; V164-L168 WeakPolarHBondContact O-CB 3.44Å; V164-L168 PolarHBondContact O-N 2.81Å |
| 165 | C | 89.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.1 | -44.3 | 176.8 | -153.1 | 0 | 0 | 0 | 0 | 112.3 | L155 D161 S162 E163 L168 V169 H194 W200 | L155-C165 HydrophobicContact CD2-CB 4.07Å; D161-C165 WeakPolarHBondContact O-CB 3.27Å; D161-C165 PolarHBondContact O-N 3.34Å; D161-C165 VanDerWaalsContact O-N 3.16Å; S162-C165 CarbonylContact O-C 3.12Å; S162-C165 WeakPolarHBondContact O-CB 3.16Å; S162-C165 PolarHBondContact O-N 3.22Å; E163-C165 VanDerWaalsContact C-N 3.27Å; E163-C165 PolarHBondContact O-N 2.92Å; C165-L168 PolarHBondContact O-N 2.87Å; C165-V169 WeakPolarHBondContact O-CG2 3.44Å; C165-V169 PolarHBondContact O-N 2.97Å; C165-H194 PolarHBondContact SG-NE2 2.94Å; C165-W200 HydrophobicContact CB-CE3 4.4Å; C165-W200 HydrophobicContact CB-CZ3 3.92Å; C165-W200 VanDerWaalsContact SG-CZ3 3.55Å |
| 166 | I | 90.2 | Very high | 85 | Confident | 11 Ų | 11 | 47.7 Ų | 47.7 | 6% | 0.056 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.6 | -50.4 | 174 | -72.9 | 165.9 | 0 | 0 | 0 | 110 | S162 E163 L168 V169 N170 W200 N203 | S162-I166 VanDerWaalsContact O-CG1 3.26Å; S162-I166 WeakPolarHBondContact O-CG1 3.32Å; S162-I166 PolarHBondContact O-N 2.93Å; E163-I166 PolarHBondContact O-N 2.98Å; I166-L168 PolarHBondContact O-N 3.15Å; I166-V169 PolarHBondContact O-N 3.48Å; I166-N170 WeakPolarHBondContact O-CB 3.32Å; I166-N170 PolarHBondContact O-N 3.25Å; I166-W200 HydrophobicContact CD1-CB 4.49Å; I166-W200 HydrophobicContact CG1-CE3 3.89Å; I166-N203 HydrophobicContact CG1-CB 4.37Å; I166-N203 HydrophobicContact CG2-CB 4.31Å |
| 167 | R | 89.5 | Confident | 85 | Confident | 41 Ų | 41 | 42.1 Ų | 42.1 | 16% | 0.155 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.2 | -37.5 | -179.5 | -68 | -160.9 | -59.7 | -92 | 9 | 113 | E135 E163 L171 E1218 | E135-R167 IonicContact OE1-CZ 2.92Å; E135-R167 IonicContact OE1-NE 3.39Å; E135-R167 PolarHBondContact OE1-NE 3.31Å; E135-R167 IonicContact OE1-NH2 2.76Å; E135-R167 PolarHBondContact OE1-NH2 2.69Å; E135-R167 IonicContact OE2-CZ 3.3Å; E135-R167 IonicContact OE2-NE 3.33Å; E135-R167 IonicContact OE2-NH2 2.75Å; E135-R167 PolarHBondContact OE2-NH2 3.2Å; E163-R167 VanDerWaalsContact CG-NH1 3.33Å; E163-R167 PolarHBondContact O-N 3.48Å; E163-R167 VanDerWaalsContact O-N 3.12Å; E163-R167 IonicContact OE1-CZ 3.41Å; E163-R167 IonicContact OE1-NH1 2.66Å; E163-R167 PolarHBondContact OE1-NH1 2.85Å; R167-L171 VanDerWaalsContact O-CB 3.3Å; R167-L171 WeakPolarHBondContact O-CB 3.31Å; R167-L171 PolarHBondContact O-N 2.92Å; R167-E1218 WeakPolarHBondContact CD-OE1 3.42Å |
| 168 | L | 89 | Confident | 85.1 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -47 | 172.7 | 175.7 | 60.5 | 0 | 0 | 0 | 111.9 | L148 L151 E152 L155 V164 C165 I166 L171 L172 | L148-L168 HydrophobicContact CD2-CD1 3.58Å; L151-L168 HydrophobicContact CB-CB 4.25Å; L151-L168 HydrophobicContact CB-CD1 4.16Å; L151-L168 HydrophobicContact CD1-CB 4.09Å; L151-L168 HydrophobicContact CD1-CD1 4.27Å; E152-L168 HydrophobicContact CG-CD2 4.36Å; L155-L168 HydrophobicContact CD1-CB 4.23Å; L155-L168 HydrophobicContact CD1-CD2 3.44Å; L155-L168 VanDerWaalsContact CD1-CD2 3.44Å; L155-L168 HydrophobicContact CD1-CG 4.47Å; V164-L168 WeakPolarHBondContact O-CB 3.44Å; V164-L168 PolarHBondContact O-N 2.81Å; C165-L168 PolarHBondContact O-N 2.87Å; I166-L168 PolarHBondContact O-N 3.15Å; L168-L171 PolarHBondContact O-N 3.38Å; L168-L172 HydrophobicContact CD1-CD1 4.15Å; L168-L172 HydrophobicContact CD1-CG 4.24Å; L168-L172 HydrophobicContact CG-CD1 4.11Å; L168-L172 WeakPolarHBondContact O-CG 3.26Å; L168-L172 PolarHBondContact O-N 2.98Å |
| 169 | V | 89.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.8 | -45.5 | 179 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | C165 I166 L171 L172 Y173 R184 C185 W200 L207 | C165-V169 WeakPolarHBondContact O-CG2 3.44Å; C165-V169 PolarHBondContact O-N 2.97Å; I166-V169 PolarHBondContact O-N 3.48Å; V169-L171 VanDerWaalsContact C-N 3.27Å; V169-L171 PolarHBondContact O-N 2.78Å; V169-L172 PolarHBondContact O-N 2.68Å; V169-Y173 HydrophobicContact CG1-CD2 3.93Å; V169-Y173 HydrophobicContact CG1-CE2 3.85Å; V169-Y173 WeakPolarHBondContact O-CD2 3.27Å; V169-Y173 PolarHBondContact O-N 3.35Å; V169-R184 HydrophobicContact CG2-CB 4.3Å; V169-R184 HydrophobicContact CG2-CG 4.08Å; V169-C185 VanDerWaalsContact CG1-SG 3.54Å; V169-W200 HydrophobicContact CG2-CH2 4.2Å; V169-W200 HydrophobicContact CG2-CZ3 4.2Å; V169-L207 HydrophobicContact CB-CD1 4.49Å; V169-L207 HydrophobicContact CG1-CD1 3.43Å; V169-L207 VanDerWaalsContact CG1-CD1 3.43Å |
| 170 | N | 90 | Very high | 85.4 | Confident | 11 Ų | 11 | 38.6 Ų | 38.6 | 6% | 0.059 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.2 | -42.1 | 173.9 | -79.2 | -16.5 | 0 | 0 | 0 | 112.1 | I166 K174 N203 E1218 | I166-N170 WeakPolarHBondContact O-CB 3.32Å; I166-N170 PolarHBondContact O-N 3.25Å; N170-K174 WeakPolarHBondContact O-CB 3.42Å; N170-K174 VanDerWaalsContact O-CG 3.28Å; N170-K174 WeakPolarHBondContact O-CG 3.43Å; N170-K174 PolarHBondContact O-N 2.76Å; N170-N203 PolarHBondContact ND2-ND2 3.21Å; N170-N203 PolarHBondContact OD1-ND2 2.86Å; N170-E1218 PolarHBondContact ND2-OE2 3.45Å |
| 171 | L | 87.3 | Confident | 85.9 | Confident | 25 Ų | 25 | 34.6 Ų | 34.6 | 13% | 0.131 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.7 | -42.4 | 178.1 | -174.3 | 62.9 | 0 | 0 | 0 | 112.4 | V144 L147 L148 L151 R167 L168 V169 Y173 K174 S175 | V144-L171 HydrophobicContact CG1-CD1 4.16Å; V144-L171 HydrophobicContact CG1-CG 4.35Å; L147-L171 HydrophobicContact CB-CD2 4.1Å; L147-L171 HydrophobicContact CD2-CD1 4.06Å; L147-L171 HydrophobicContact CD2-CD2 3.57Å; L147-L171 HydrophobicContact CD2-CG 4.48Å; L147-L171 HydrophobicContact CG-CD2 3.58Å; L148-L171 HydrophobicContact CD2-CD2 3.74Å; L148-L171 HydrophobicContact CD2-CG 4.04Å; L148-L171 HydrophobicContact CG-CD2 3.85Å; L148-L171 HydrophobicContact CG-CG 4.37Å; L151-L171 HydrophobicContact CD1-CD2 3.87Å; R167-L171 VanDerWaalsContact O-CB 3.3Å; R167-L171 WeakPolarHBondContact O-CB 3.31Å; R167-L171 PolarHBondContact O-N 2.92Å; L168-L171 PolarHBondContact O-N 3.38Å; V169-L171 VanDerWaalsContact C-N 3.27Å; V169-L171 PolarHBondContact O-N 2.78Å; L171-Y173 PolarHBondContact O-N 3.23Å; L171-K174 PolarHBondContact O-N 2.89Å; L171-S175 WeakPolarHBondContact O-CB 3.39Å; L171-S175 PolarHBondContact O-N 2.82Å; L171-S175 PolarHBondContact O-OG 3.1Å |
| 172 | L | 86 | Confident | 86.1 | Confident | 17 Ų | 17 | 33.7 Ų | 33.7 | 9% | 0.089 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.5 | -38.1 | 176.7 | -72.7 | 167.7 | 0 | 0 | 0 | 112.5 | L148 L168 V169 S175 S177 D180 | L148-L172 HydrophobicContact CD2-CD2 3.65Å; L148-L172 HydrophobicContact CD2-CG 3.96Å; L168-L172 HydrophobicContact CD1-CD1 4.15Å; L168-L172 HydrophobicContact CD1-CG 4.24Å; L168-L172 HydrophobicContact CG-CD1 4.11Å; L168-L172 WeakPolarHBondContact O-CG 3.26Å; L168-L172 PolarHBondContact O-N 2.98Å; V169-L172 PolarHBondContact O-N 2.68Å; L172-S175 PolarHBondContact O-OG 3.47Å; L172-S175 VanDerWaalsContact O-OG 3.1Å; L172-S177 CarbonylContact O-C 3.53Å; L172-S177 VanDerWaalsContact O-C 3.31Å; L172-S177 WeakPolarHBondContact O-CA 3.39Å; L172-S177 WeakPolarHBondContact O-CB 3.44Å; L172-S177 PolarHBondContact O-N 3.2Å; L172-D180 HydrophobicContact CD2-CB 4.27Å |
| 173 | Y | 84.8 | Confident | 86.1 | Confident | 28 Ų | 28 | 35.2 Ų | 35.2 | 11% | 0.11 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.3 | -44 | 172.6 | -85.6 | -107.4 | 0 | 0 | 0 | 111.3 | V169 L171 S175 G176 V178 L207 | V169-Y173 HydrophobicContact CG1-CD2 3.93Å; V169-Y173 HydrophobicContact CG1-CE2 3.85Å; V169-Y173 WeakPolarHBondContact O-CD2 3.27Å; V169-Y173 PolarHBondContact O-N 3.35Å; L171-Y173 PolarHBondContact O-N 3.23Å; Y173-S175 VanDerWaalsContact C-N 3.3Å; Y173-S175 PolarHBondContact O-N 3.39Å; Y173-G176 PolarHBondContact O-N 3.16Å; Y173-V178 HydrophobicContact CD1-CG1 3.63Å; Y173-V178 HydrophobicContact CE1-CG1 3.35Å; Y173-V178 HydrophobicContact CG-CG1 4.4Å; Y173-L207 HydrophobicContact CD1-CB 4.15Å; Y173-L207 HydrophobicContact CD1-CD2 3.86Å; Y173-L207 HydrophobicContact CD1-CG 4.46Å; Y173-L207 HydrophobicContact CD2-CD1 3.9Å; Y173-L207 HydrophobicContact CD2-CD2 4.28Å; Y173-L207 HydrophobicContact CD2-CG 4.48Å; Y173-L207 HydrophobicContact CE1-CB 3.76Å; Y173-L207 HydrophobicContact CE1-CD2 4.36Å; Y173-L207 WeakPolarHBondContact CE1-O 3.25Å; Y173-L207 HydrophobicContact CE2-CB 4.14Å; Y173-L207 HydrophobicContact CE2-CD1 3.96Å; Y173-L207 HydrophobicContact CG-CD1 4.3Å; Y173-L207 HydrophobicContact CG-CD2 3.83Å; Y173-L207 HydrophobicContact CG-CG 4.45Å |
| 174 | K | 82.3 | Confident | 86.1 | Confident | 145 Ų | 145 | 34.4 Ų | 34.4 | 63% | 0.63 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -63.2 | -31.4 | 176.5 | -74.7 | 173.4 | -179.9 | 177.7 | 0 | 113 | N170 L171 G176 | N170-K174 WeakPolarHBondContact O-CB 3.42Å; N170-K174 VanDerWaalsContact O-CG 3.28Å; N170-K174 WeakPolarHBondContact O-CG 3.43Å; N170-K174 PolarHBondContact O-N 2.76Å; L171-K174 PolarHBondContact O-N 2.89Å; K174-G176 VanDerWaalsContact C-N 3.28Å; K174-G176 PolarHBondContact O-N 2.8Å |
| 175 | S | 83.2 | Confident | 86.2 | Confident | 48 Ų | 48 | 34.5 Ų | 34.5 | 34% | 0.336 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -1.4 | 177 | 74.3 | 0 | 0 | 0 | 0 | 114.4 | L171 L172 Y173 S177 | L171-S175 WeakPolarHBondContact O-CB 3.39Å; L171-S175 PolarHBondContact O-N 2.82Å; L171-S175 PolarHBondContact O-OG 3.1Å; L172-S175 PolarHBondContact O-OG 3.47Å; L172-S175 VanDerWaalsContact O-OG 3.1Å; Y173-S175 VanDerWaalsContact C-N 3.3Å; Y173-S175 PolarHBondContact O-N 3.39Å; S175-S177 VanDerWaalsContact C-N 3.27Å; S175-S177 PolarHBondContact O-N 3.43Å; S175-S177 PolarHBondContact OG-OG 3.49Å |
| 176 | G | 80.4 | Confident | 86.2 | Confident | 57 Ų | 57 | 35.8 Ų | 35.8 | 59% | 0.588 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 0.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y173 K174 V178 | Y173-G176 PolarHBondContact O-N 3.16Å; K174-G176 VanDerWaalsContact C-N 3.28Å; K174-G176 PolarHBondContact O-N 2.8Å; G176-V178 PolarHBondContact O-N 2.84Å |
| 177 | S | 84.6 | Confident | 86.1 | Confident | 40 Ų | 40 | 39.3 Ų | 39.3 | 28% | 0.28 | 22% | 0.22 | S | C | . | . | trans | -79.8 | 49.3 | 174.8 | -67 | 0 | 0 | 0 | 0 | 111.7 | L172 S175 V179 D180 G181 | L172-S177 CarbonylContact O-C 3.53Å; L172-S177 VanDerWaalsContact O-C 3.31Å; L172-S177 WeakPolarHBondContact O-CA 3.39Å; L172-S177 WeakPolarHBondContact O-CB 3.44Å; L172-S177 PolarHBondContact O-N 3.2Å; S175-S177 VanDerWaalsContact C-N 3.27Å; S175-S177 PolarHBondContact O-N 3.43Å; S175-S177 PolarHBondContact OG-OG 3.49Å; S177-V179 VanDerWaalsContact C-N 3.29Å; S177-V179 PolarHBondContact O-N 3.49Å; S177-D180 PolarHBondContact O-N 3.3Å; S177-D180 VanDerWaalsContact O-N 3.08Å; S177-G181 PolarHBondContact O-N 2.68Å | ||
| 178 | V | 82.3 | Confident | 86.1 | Confident | 14 Ų | 14 | 37.3 Ų | 37.3 | 9% | 0.085 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.5 | -37.5 | -170.9 | -161.1 | 0 | 0 | 0 | 0 | 112 | Y173 G176 G181 F182 L213 P214 I215 | Y173-V178 HydrophobicContact CD1-CG1 3.63Å; Y173-V178 HydrophobicContact CE1-CG1 3.35Å; Y173-V178 HydrophobicContact CG-CG1 4.4Å; G176-V178 PolarHBondContact O-N 2.84Å; V178-G181 PolarHBondContact O-N 2.76Å; V178-F182 WeakPolarHBondContact O-CB 3.44Å; V178-F182 PolarHBondContact O-N 2.66Å; V178-L213 HydrophobicContact CG1-CD2 4.31Å; V178-P214 HydrophobicContact CG2-CG 4.26Å; V178-I215 HydrophobicContact CB-CD1 3.91Å; V178-I215 HydrophobicContact CB-CG1 4.14Å; V178-I215 HydrophobicContact CG1-CD1 3.61Å; V178-I215 HydrophobicContact CG1-CG1 3.96Å |
| 179 | V | 82.8 | Confident | 86.1 | Confident | 67 Ų | 67 | 37.2 Ų | 37.2 | 41% | 0.406 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.2 | -40 | 177.3 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | S177 F182 S183 I215 L220 | S177-V179 VanDerWaalsContact C-N 3.29Å; S177-V179 PolarHBondContact O-N 3.49Å; V179-F182 PolarHBondContact O-N 2.65Å; V179-S183 VanDerWaalsContact O-CB 3.23Å; V179-S183 WeakPolarHBondContact O-CB 3.33Å; V179-S183 PolarHBondContact O-N 2.91Å; V179-I215 HydrophobicContact CG2-CD1 4.44Å; V179-L220 HydrophobicContact CB-CD1 4.45Å; V179-L220 HydrophobicContact CG1-CD1 4.3Å; V179-L220 HydrophobicContact CG2-CD1 4Å |
| 180 | D | 83.8 | Confident | 86 | Confident | 92 Ų | 92 | 38.5 Ų | 38.5 | 49% | 0.492 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -70.4 | -41.6 | 178.4 | -59.2 | -44.1 | 0 | 0 | 0 | 111.1 | L172 S177 S183 R184 | L172-D180 HydrophobicContact CD2-CB 4.27Å; S177-D180 PolarHBondContact O-N 3.3Å; S177-D180 VanDerWaalsContact O-N 3.08Å; D180-S183 WeakPolarHBondContact O-CB 3.35Å; D180-S183 PolarHBondContact O-N 2.89Å; D180-R184 WeakPolarHBondContact O-CB 3.46Å; D180-R184 PolarHBondContact O-N 2.84Å |
| 181 | G | 86.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.2 | -45.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S177 V178 R184 C185 | S177-G181 PolarHBondContact O-N 2.68Å; V178-G181 PolarHBondContact O-N 2.76Å; G181-R184 PolarHBondContact O-N 3.1Å; G181-C185 PolarHBondContact O-N 3.07Å; G181-C185 VanDerWaalsContact O-N 3.09Å; G181-C185 PolarHBondContact O-SG 3.39Å |
| 182 | F | 87.1 | Confident | 85.6 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.9 | -45.9 | 173.6 | 176.5 | -102.3 | 0 | 0 | 0 | 112.3 | V178 V179 R184 C185 L186 L208 L220 L225 V228 | V178-F182 WeakPolarHBondContact O-CB 3.44Å; V178-F182 PolarHBondContact O-N 2.66Å; V179-F182 PolarHBondContact O-N 2.65Å; F182-R184 VanDerWaalsContact C-N 3.28Å; F182-R184 PolarHBondContact O-N 3.05Å; F182-C185 WeakPolarHBondContact O-CB 3.46Å; F182-C185 PolarHBondContact O-N 2.94Å; F182-C185 VanDerWaalsContact O-N 3.16Å; F182-L186 HydrophobicContact CE1-CD2 4.33Å; F182-L186 PolarHBondContact O-N 3.01Å; F182-L208 HydrophobicContact CD2-CD2 3.77Å; F182-L208 HydrophobicContact CE2-CD2 3.89Å; F182-L220 HydrophobicContact CB-CD2 4.25Å; F182-L220 HydrophobicContact CD1-CD1 4.11Å; F182-L220 HydrophobicContact CD1-CD2 3.59Å; F182-L220 HydrophobicContact CD1-CG 3.69Å; F182-L220 HydrophobicContact CD2-CD2 3.89Å; F182-L220 HydrophobicContact CE1-CD2 3.86Å; F182-L220 HydrophobicContact CE1-CG 3.9Å; F182-L220 HydrophobicContact CE2-CD2 4.14Å; F182-L220 HydrophobicContact CG-CD2 3.61Å; F182-L220 HydrophobicContact CG-CG 4.2Å; F182-L220 HydrophobicContact CZ-CD2 4.12Å; F182-L225 HydrophobicContact CZ-CB 4.47Å; F182-V228 HydrophobicContact CE2-CB 4.16Å; F182-V228 HydrophobicContact CE2-CG2 3.86Å; F182-V228 HydrophobicContact CZ-CG2 4.02Å |
| 183 | S | 86.1 | Confident | 85.6 | Confident | 51 Ų | 51 | 42.1 Ų | 42.1 | 36% | 0.357 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -56.8 | -42.1 | 175.6 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | V179 D180 L186 N187 | V179-S183 VanDerWaalsContact O-CB 3.23Å; V179-S183 WeakPolarHBondContact O-CB 3.33Å; V179-S183 PolarHBondContact O-N 2.91Å; D180-S183 WeakPolarHBondContact O-CB 3.35Å; D180-S183 PolarHBondContact O-N 2.89Å; S183-L186 PolarHBondContact O-N 2.85Å; S183-N187 VanDerWaalsContact O-CB 3.27Å; S183-N187 WeakPolarHBondContact O-CB 3.15Å; S183-N187 PolarHBondContact O-N 3.06Å; S183-N187 PolarHBondContact O-ND2 3.16Å; S183-N187 PolarHBondContact OG-ND2 3.31Å |
| 184 | R | 87.3 | Confident | 85.6 | Confident | 64 Ų | 64 | 41.5 Ų | 41.5 | 24% | 0.242 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.5 | -45.2 | 175.1 | -169.9 | 68.4 | -178 | -177.9 | 3.7 | 112.1 | V169 D180 G181 F182 N187 C188 | V169-R184 HydrophobicContact CG2-CB 4.3Å; V169-R184 HydrophobicContact CG2-CG 4.08Å; D180-R184 WeakPolarHBondContact O-CB 3.46Å; D180-R184 PolarHBondContact O-N 2.84Å; G181-R184 PolarHBondContact O-N 3.1Å; F182-R184 VanDerWaalsContact C-N 3.28Å; F182-R184 PolarHBondContact O-N 3.05Å; R184-N187 PolarHBondContact O-N 3.47Å; R184-C188 PolarHBondContact O-N 3.35Å; R184-C188 PolarHBondContact O-SG 2.71Å |
| 185 | C | 89.1 | Confident | 85.7 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.8 | -50.4 | 175.5 | -63.9 | 0 | 0 | 0 | 0 | 111.6 | V169 G181 F182 N187 C188 I189 C204 | V169-C185 VanDerWaalsContact CG1-SG 3.54Å; G181-C185 PolarHBondContact O-N 3.07Å; G181-C185 VanDerWaalsContact O-N 3.09Å; G181-C185 PolarHBondContact O-SG 3.39Å; F182-C185 WeakPolarHBondContact O-CB 3.46Å; F182-C185 PolarHBondContact O-N 2.94Å; F182-C185 VanDerWaalsContact O-N 3.16Å; C185-N187 VanDerWaalsContact C-N 3.32Å; C185-N187 PolarHBondContact O-N 3.43Å; C185-C188 PolarHBondContact O-N 2.67Å; C185-I189 WeakPolarHBondContact O-CG1 2.88Å; C185-I189 PolarHBondContact O-N 2.94Å; C185-C204 VanDerWaalsContact SG-SG 3.66Å |
| 186 | L | 88.8 | Confident | 85.7 | Confident | 26 Ų | 26 | 36 Ų | 36 | 14% | 0.136 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.5 | -43.3 | 177.4 | 177.7 | 63.2 | 0 | 0 | 0 | 111.5 | F182 S183 I189 N190 L227 V228 | F182-L186 HydrophobicContact CE1-CD2 4.33Å; F182-L186 PolarHBondContact O-N 3.01Å; S183-L186 PolarHBondContact O-N 2.85Å; L186-I189 PolarHBondContact O-N 2.99Å; L186-N190 VanDerWaalsContact O-CB 3.27Å; L186-N190 WeakPolarHBondContact O-CB 3.16Å; L186-N190 PolarHBondContact O-N 3.3Å; L186-L227 HydrophobicContact CD1-CD2 4.13Å; L186-V228 HydrophobicContact CB-CG2 4.04Å; L186-V228 HydrophobicContact CD1-CG2 3.76Å; L186-V228 HydrophobicContact CG-CG2 4.5Å |
| 187 | N | 88.1 | Confident | 86 | Confident | 85 Ų | 85 | 35.8 Ų | 35.8 | 46% | 0.455 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.9 | -39.8 | 178.8 | -74.7 | -37 | 0 | 0 | 0 | 112.7 | S183 R184 C185 A191 | S183-N187 VanDerWaalsContact O-CB 3.27Å; S183-N187 WeakPolarHBondContact O-CB 3.15Å; S183-N187 PolarHBondContact O-N 3.06Å; S183-N187 PolarHBondContact O-ND2 3.16Å; S183-N187 PolarHBondContact OG-ND2 3.31Å; R184-N187 PolarHBondContact O-N 3.47Å; C185-N187 VanDerWaalsContact C-N 3.32Å; C185-N187 PolarHBondContact O-N 3.43Å; N187-A191 VanDerWaalsContact O-CB 3.24Å; N187-A191 WeakPolarHBondContact O-CB 3.03Å; N187-A191 PolarHBondContact O-N 2.82Å |
| 188 | C | 89.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.8 | -42.5 | 174.9 | -73.3 | 0 | 0 | 0 | 0 | 112 | R184 C185 A191 G192 R193 W200 | R184-C188 PolarHBondContact O-N 3.35Å; R184-C188 PolarHBondContact O-SG 2.71Å; C185-C188 PolarHBondContact O-N 2.67Å; C188-A191 PolarHBondContact O-N 2.86Å; C188-G192 PolarHBondContact O-N 3.44Å; C188-R193 HydrophobicContact CB-CB 4.36Å; C188-R193 PolarHBondContact O-N 3.49Å; C188-W200 HydrophobicContact CB-CH2 4.07Å; C188-W200 HydrophobicContact CB-CZ2 3.6Å |
| 189 | I | 89.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.5 | -45.1 | 176.6 | -70.2 | 164.6 | 0 | 0 | 0 | 110.8 | C185 L186 A191 G192 F195 V228 V231 L335 | C185-I189 WeakPolarHBondContact O-CG1 2.88Å; C185-I189 PolarHBondContact O-N 2.94Å; L186-I189 PolarHBondContact O-N 2.99Å; I189-A191 VanDerWaalsContact C-N 3.28Å; I189-A191 PolarHBondContact O-N 2.91Å; I189-G192 PolarHBondContact O-N 2.86Å; I189-G192 VanDerWaalsContact O-N 3.14Å; I189-F195 HydrophobicContact CG2-CZ 4.33Å; I189-V228 HydrophobicContact CD1-CB 4.41Å; I189-V228 HydrophobicContact CD1-CG1 3.67Å; I189-V228 HydrophobicContact CD1-CG2 4.37Å; I189-V231 HydrophobicContact CG2-CB 4.26Å; I189-V231 HydrophobicContact CG2-CG1 3.79Å; I189-L335 HydrophobicContact CG2-CD1 4.05Å; I189-L335 HydrophobicContact CG2-CD2 3.91Å |
| 190 | N | 87.4 | Confident | 87.1 | Confident | 27 Ų | 27 | 34.4 Ų | 34.4 | 14% | 0.144 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.7 | -24.9 | 174 | -91.6 | -36.5 | 0 | 0 | 0 | 113.4 | L186 G192 N330 S332 L335 | L186-N190 VanDerWaalsContact O-CB 3.27Å; L186-N190 WeakPolarHBondContact O-CB 3.16Å; L186-N190 PolarHBondContact O-N 3.3Å; N190-G192 VanDerWaalsContact C-N 3.31Å; N190-N330 PolarHBondContact ND2-O 3.34Å; N190-N330 VanDerWaalsContact ND2-O 3.09Å; N190-N330 PolarHBondContact OD1-O 3.48Å; N190-S332 VanDerWaalsContact O-CB 3.29Å; N190-S332 WeakPolarHBondContact O-CB 3.24Å; N190-S332 PolarHBondContact O-OG 3.32Å; N190-S332 WeakPolarHBondContact OD1-CB 3.25Å; N190-S332 PolarHBondContact OD1-N 3.27Å; N190-L335 WeakPolarHBondContact OD1-CD2 3.37Å |
| 191 | A | 85.2 | Confident | 87.6 | Confident | 42 Ų | 42 | 30 Ų | 30 | 35% | 0.347 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -74 | -21.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N187 C188 I189 R193 S334 | N187-A191 VanDerWaalsContact O-CB 3.24Å; N187-A191 WeakPolarHBondContact O-CB 3.03Å; N187-A191 PolarHBondContact O-N 2.82Å; C188-A191 PolarHBondContact O-N 2.86Å; I189-A191 VanDerWaalsContact C-N 3.28Å; I189-A191 PolarHBondContact O-N 2.91Å; A191-R193 HydrophobicContact CB-CG 4.03Å; A191-S334 PolarHBondContact O-OG 3.02Å |
| 192 | G | 83.3 | Confident | 87.8 | Confident | 30 Ų | 30 | 35.4 Ų | 35.4 | 31% | 0.309 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 23.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | C188 I189 N190 F195 | C188-G192 PolarHBondContact O-N 3.44Å; I189-G192 PolarHBondContact O-N 2.86Å; I189-G192 VanDerWaalsContact O-N 3.14Å; N190-G192 VanDerWaalsContact C-N 3.31Å; G192-F195 VanDerWaalsContact C-CE2 3.46Å; G192-F195 VanDerWaalsContact CA-CE2 3.45Å; G192-F195 WeakPolarHBondContact O-CD2 3.25Å |
| 193 | R | 85.5 | Confident | 87.9 | Confident | 58 Ų | 58 | 36.2 Ų | 36.2 | 22% | 0.219 | 21% | 0.213 | C | C | . | . | trans | -93 | 151 | -177.3 | -74.2 | -164.5 | -82.5 | -117.1 | 16.7 | 114.1 | E159 C188 A191 F195 | E159-R193 VanDerWaalsContact O-CD 3.27Å; E159-R193 WeakPolarHBondContact O-CD 3.3Å; E159-R193 IonicContact OE1-NH2 3.37Å; E159-R193 IonicContact OE2-CZ 3.53Å; E159-R193 IonicContact OE2-NH1 2.66Å; E159-R193 PolarHBondContact OE2-NH1 3.46Å; E159-R193 IonicContact OE2-NH2 2.62Å; C188-R193 HydrophobicContact CB-CB 4.36Å; C188-R193 PolarHBondContact O-N 3.49Å; A191-R193 HydrophobicContact CB-CG 4.03Å; R193-F195 WeakPolarHBondContact O-CD2 3.37Å; R193-F195 PolarHBondContact O-N 3.36Å; R193-F195 VanDerWaalsContact O-N 3.15Å | ||
| 194 | H | 85.7 | Confident | 88.1 | Confident | 14 Ų | 14 | 33.8 Ų | 33.8 | 7% | 0.065 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 60.7 | 14.5 | 176.5 | -39.9 | -55.2 | 0 | 0 | 0 | 115.5 | S160 S162 C165 G196 I197 W200 | S160-H194 PolarHBondContact O-CE1 2.79Å; S160-H194 PolarHBondContact O-ND1 3.11Å; S162-H194 WeakPolarHBondContact CB-ND1 3.34Å; C165-H194 PolarHBondContact SG-NE2 2.94Å; H194-G196 PolarHBondContact O-N 3.06Å; H194-I197 HydrophobicContact CB-CD1 4.21Å; H194-I197 WeakPolarHBondContact O-CB 3.37Å; H194-I197 PolarHBondContact O-N 3.34Å; H194-I197 VanDerWaalsContact O-N 3.12Å; H194-W200 HydrophobicContact CB-CB 4.19Å; H194-W200 HydrophobicContact CB-CD2 4.11Å; H194-W200 HydrophobicContact CB-CG 3.71Å; H194-W200 AromaticContact CD2-CD2 3.78Å; H194-W200 AromaticContact CD2-CE2 3.76Å |
| 195 | F | 84.4 | Confident | 88.3 | Confident | 39 Ų | 39 | 31.7 Ų | 31.7 | 17% | 0.171 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 132 | 170.4 | -72 | -99.8 | 0 | 0 | 0 | 110 | I189 G192 R193 F201 V231 E235 L335 H338 | I189-F195 HydrophobicContact CG2-CZ 4.33Å; G192-F195 VanDerWaalsContact C-CE2 3.46Å; G192-F195 VanDerWaalsContact CA-CE2 3.45Å; G192-F195 WeakPolarHBondContact O-CD2 3.25Å; R193-F195 WeakPolarHBondContact O-CD2 3.37Å; R193-F195 PolarHBondContact O-N 3.36Å; R193-F195 VanDerWaalsContact O-N 3.15Å; F195-F201 HydrophobicContact CD1-CZ 4.14Å; F195-F201 HydrophobicContact CE1-CZ 4.43Å; F195-F201 HydrophobicContact CG-CZ 4.3Å; F195-V231 HydrophobicContact CE1-CG1 4.18Å; F195-V231 HydrophobicContact CZ-CG1 4.32Å; F195-E235 HydrophobicContact CD1-CG 3.68Å; F195-E235 HydrophobicContact CE1-CG 3.7Å; F195-L335 HydrophobicContact CE1-CD1 4.37Å; F195-L335 HydrophobicContact CZ-CD1 3.86Å; F195-H338 AromaticContact CD1-CD2 3.5Å; F195-H338 AromaticContact CD1-CE1 3.6Å; F195-H338 AromaticContact CD1-NE2 3.19Å; F195-H338 WeakPolarHBondContact CD1-NE2 3.44Å; F195-H338 AromaticContact CE1-CD2 3.39Å; F195-H338 WeakPolarHBondContact CE1-CD2 3.43Å; F195-H338 AromaticContact CE1-NE2 3.55Å |
| 196 | G | 83.7 | Confident | 88.2 | Confident | 39 Ų | 39 | 33.4 Ų | 33.4 | 40% | 0.402 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -10.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | H194 V239 | H194-G196 PolarHBondContact O-N 3.06Å; G196-V239 WeakPolarHBondContact O-CG1 3.4Å |
| 197 | I | 86.5 | Confident | 87.9 | Confident | 53 Ų | 53 | 33 Ų | 33 | 27% | 0.272 | 20% | 0.199 | S | C | . | . | trans | -104.7 | 102.3 | -176.3 | -54.2 | 179.6 | 0 | 0 | 0 | 109.9 | S162 H194 S199 W200 F201 | S162-I197 WeakPolarHBondContact OG-CD1 3.43Å; H194-I197 HydrophobicContact CB-CD1 4.21Å; H194-I197 WeakPolarHBondContact O-CB 3.37Å; H194-I197 PolarHBondContact O-N 3.34Å; H194-I197 VanDerWaalsContact O-N 3.12Å; I197-S199 WeakPolarHBondContact CG2-OG 3.43Å; I197-S199 PolarHBondContact O-N 2.99Å; I197-W200 HydrophobicContact CB-CB 4.31Å; I197-W200 HydrophobicContact CG2-CB 4.18Å; I197-W200 PolarHBondContact O-N 2.85Å; I197-F201 VanDerWaalsContact O-CD2 3.23Å; I197-F201 WeakPolarHBondContact O-CD2 3.43Å | ||
| 198 | A | 89.8 | Confident | 87.4 | Confident | 31 Ų | 31 | 29.1 Ų | 29.1 | 26% | 0.256 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.3 | -39.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | W200 F201 H202 L236 V239 T240 | A198-W200 VanDerWaalsContact C-N 3.32Å; A198-W200 PolarHBondContact O-N 2.96Å; A198-F201 PolarHBondContact O-N 2.8Å; A198-H202 PolarHBondContact O-N 3.1Å; A198-L236 HydrophobicContact CB-CD1 4.05Å; A198-V239 HydrophobicContact CB-CG1 3.97Å; A198-T240 HydrophobicContact CB-CG2 3.92Å |
| 199 | S | 88.6 | Confident | 86.8 | Confident | 61 Ų | 61 | 33.8 Ų | 33.8 | 43% | 0.427 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.7 | -36.9 | -179.4 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | I197 H202 N203 | I197-S199 WeakPolarHBondContact CG2-OG 3.43Å; I197-S199 PolarHBondContact O-N 2.99Å; S199-H202 PolarHBondContact O-N 2.67Å; S199-N203 VanDerWaalsContact O-CB 3.31Å; S199-N203 WeakPolarHBondContact O-CB 3.49Å; S199-N203 PolarHBondContact O-N 2.86Å |
| 200 | W | 93.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.8 | -50.6 | 174 | 168.1 | -103.3 | 0 | 0 | 0 | 111.2 | C165 I166 V169 C188 H194 I197 A198 N203 C204 | C165-W200 HydrophobicContact CB-CE3 4.4Å; C165-W200 HydrophobicContact CB-CZ3 3.92Å; C165-W200 VanDerWaalsContact SG-CZ3 3.55Å; I166-W200 HydrophobicContact CD1-CB 4.49Å; I166-W200 HydrophobicContact CG1-CE3 3.89Å; V169-W200 HydrophobicContact CG2-CH2 4.2Å; V169-W200 HydrophobicContact CG2-CZ3 4.2Å; C188-W200 HydrophobicContact CB-CH2 4.07Å; C188-W200 HydrophobicContact CB-CZ2 3.6Å; H194-W200 HydrophobicContact CB-CB 4.19Å; H194-W200 HydrophobicContact CB-CD2 4.11Å; H194-W200 HydrophobicContact CB-CG 3.71Å; H194-W200 AromaticContact CD2-CD2 3.78Å; H194-W200 AromaticContact CD2-CE2 3.76Å; I197-W200 HydrophobicContact CB-CB 4.31Å; I197-W200 HydrophobicContact CG2-CB 4.18Å; I197-W200 PolarHBondContact O-N 2.85Å; A198-W200 VanDerWaalsContact C-N 3.32Å; A198-W200 PolarHBondContact O-N 2.96Å; W200-N203 PolarHBondContact O-N 3.14Å; W200-C204 PolarHBondContact O-N 3.2Å; W200-C204 PolarHBondContact O-SG 2.81Å; W200-C204 VanDerWaalsContact O-SG 3.36Å |
| 201 | F | 93.7 | Very high | 84 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.3 | -36.2 | 179.8 | -62.9 | -63.1 | 0 | 0 | 0 | 113.1 | F195 I197 A198 L205 C232 E235 L236 | F195-F201 HydrophobicContact CD1-CZ 4.14Å; F195-F201 HydrophobicContact CE1-CZ 4.43Å; F195-F201 HydrophobicContact CG-CZ 4.3Å; I197-F201 VanDerWaalsContact O-CD2 3.23Å; I197-F201 WeakPolarHBondContact O-CD2 3.43Å; A198-F201 PolarHBondContact O-N 2.8Å; F201-L205 WeakPolarHBondContact O-CB 3.36Å; F201-L205 WeakPolarHBondContact O-CG 3.3Å; F201-L205 PolarHBondContact O-N 2.9Å; F201-C232 HydrophobicContact CB-CB 4.33Å; F201-C232 HydrophobicContact CD1-CB 4.01Å; F201-E235 HydrophobicContact CD1-CB 4.27Å; F201-E235 HydrophobicContact CD2-CB 3.95Å; F201-E235 HydrophobicContact CE1-CB 3.94Å; F201-E235 HydrophobicContact CE1-CG 4.29Å; F201-E235 HydrophobicContact CE2-CB 3.61Å; F201-E235 HydrophobicContact CE2-CG 4.33Å; F201-E235 HydrophobicContact CG-CB 4.27Å; F201-E235 HydrophobicContact CZ-CB 3.59Å; F201-E235 HydrophobicContact CZ-CG 3.9Å; F201-L236 HydrophobicContact CB-CB 4.17Å |
| 202 | H | 91.3 | Very high | 82.7 | Confident | 112 Ų | 112 | 44.3 Ų | 44.3 | 52% | 0.519 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 172.2 | -116.4 | 62 | 0 | 0 | 0 | 111.8 | A198 S199 L205 S206 L236 | A198-H202 PolarHBondContact O-N 3.1Å; S199-H202 PolarHBondContact O-N 2.67Å; H202-L205 PolarHBondContact O-N 2.8Å; H202-S206 PolarHBondContact O-N 3.33Å; H202-L236 WeakPolarHBondContact ND1-CD1 3.43Å; H202-L236 WeakPolarHBondContact ND1-CD2 3.14Å |
| 203 | N | 90.1 | Very high | 81.6 | Confident | 25 Ų | 25 | 44.5 Ų | 44.5 | 13% | 0.134 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.5 | -50.3 | 177.4 | -177.3 | -100.6 | 0 | 0 | 0 | 111.4 | I166 N170 S199 W200 L205 S206 L207 | I166-N203 HydrophobicContact CG1-CB 4.37Å; I166-N203 HydrophobicContact CG2-CB 4.31Å; N170-N203 PolarHBondContact ND2-ND2 3.21Å; N170-N203 PolarHBondContact OD1-ND2 2.86Å; S199-N203 VanDerWaalsContact O-CB 3.31Å; S199-N203 WeakPolarHBondContact O-CB 3.49Å; S199-N203 PolarHBondContact O-N 2.86Å; W200-N203 PolarHBondContact O-N 3.14Å; N203-L205 VanDerWaalsContact C-N 3.28Å; N203-L205 PolarHBondContact O-N 2.84Å; N203-S206 PolarHBondContact O-N 3.43Å; N203-L207 VanDerWaalsContact O-CG 3.28Å; N203-L207 WeakPolarHBondContact O-CG 3.28Å; N203-L207 PolarHBondContact O-N 3.13Å; N203-L207 WeakPolarHBondContact OD1-CD1 3.06Å |
| 204 | C | 90.1 | Very high | 80.1 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.8 | -40.2 | 175.1 | -68.6 | 0 | 0 | 0 | 0 | 112.8 | C185 W200 L208 | C185-C204 VanDerWaalsContact SG-SG 3.66Å; W200-C204 PolarHBondContact O-N 3.2Å; W200-C204 PolarHBondContact O-SG 2.81Å; W200-C204 VanDerWaalsContact O-SG 3.36Å; C204-L208 WeakPolarHBondContact O-CB 3.26Å; C204-L208 VanDerWaalsContact O-CG 3.28Å; C204-L208 WeakPolarHBondContact O-CG 3.22Å; C204-L208 PolarHBondContact O-N 3.23Å; C204-L208 VanDerWaalsContact O-N 3.11Å |
| 205 | L | 90.2 | Very high | 78.6 | Confident | 20 Ų | 20 | 47.7 Ų | 47.7 | 11% | 0.105 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.9 | -41 | 178.6 | -75.3 | 170.7 | 0 | 0 | 0 | 113.1 | F201 H202 N203 L207 L208 E209 R229 C232 L233 L236 | F201-L205 WeakPolarHBondContact O-CB 3.36Å; F201-L205 WeakPolarHBondContact O-CG 3.3Å; F201-L205 PolarHBondContact O-N 2.9Å; H202-L205 PolarHBondContact O-N 2.8Å; N203-L205 VanDerWaalsContact C-N 3.28Å; N203-L205 PolarHBondContact O-N 2.84Å; L205-L207 VanDerWaalsContact C-N 3.31Å; L205-L207 PolarHBondContact O-N 3.04Å; L205-L208 CarbonylContact O-C 3.57Å; L205-L208 PolarHBondContact O-N 3.02Å; L205-L208 VanDerWaalsContact O-N 3.14Å; L205-E209 PolarHBondContact O-N 3.24Å; L205-R229 HydrophobicContact CD2-CG 3.9Å; L205-C232 HydrophobicContact CD1-CB 4.01Å; L205-C232 HydrophobicContact CD2-CB 3.81Å; L205-C232 HydrophobicContact CG-CB 3.66Å; L205-L233 HydrophobicContact CD1-CD2 3.8Å; L205-L233 HydrophobicContact CD1-CG 4.08Å; L205-L233 HydrophobicContact CD2-CD2 4.42Å; L205-L233 HydrophobicContact CD2-CG 4.05Å; L205-L236 HydrophobicContact CD1-CD2 3.8Å |
| 206 | S | 87.2 | Confident | 77.2 | Confident | 39 Ų | 39 | 49.7 Ų | 49.7 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.4 | -36.4 | 176.8 | -168.5 | 0 | 0 | 0 | 0 | 111.9 | H202 N203 L208 E209 K212 | H202-S206 PolarHBondContact O-N 3.33Å; N203-S206 PolarHBondContact O-N 3.43Å; S206-L208 VanDerWaalsContact C-N 3.28Å; S206-L208 PolarHBondContact O-N 2.75Å; S206-E209 VanDerWaalsContact O-CB 3.27Å; S206-E209 WeakPolarHBondContact O-CB 3.47Å; S206-E209 PolarHBondContact O-N 3.32Å; S206-K212 WeakPolarHBondContact O-CD 3.45Å; S206-K212 PolarHBondContact OG-NZ 2.79Å |
| 207 | L | 82.6 | Confident | 75.8 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 8% | 0.084 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72 | -22.4 | 174.7 | -64.7 | 176.3 | 0 | 0 | 0 | 113 | V169 Y173 N203 L205 E209 | V169-L207 HydrophobicContact CB-CD1 4.49Å; V169-L207 HydrophobicContact CG1-CD1 3.43Å; V169-L207 VanDerWaalsContact CG1-CD1 3.43Å; Y173-L207 HydrophobicContact CD1-CB 4.15Å; Y173-L207 HydrophobicContact CD1-CD2 3.86Å; Y173-L207 HydrophobicContact CD1-CG 4.46Å; Y173-L207 HydrophobicContact CD2-CD1 3.9Å; Y173-L207 HydrophobicContact CD2-CD2 4.28Å; Y173-L207 HydrophobicContact CD2-CG 4.48Å; Y173-L207 HydrophobicContact CE1-CB 3.76Å; Y173-L207 HydrophobicContact CE1-CD2 4.36Å; Y173-L207 WeakPolarHBondContact CE1-O 3.25Å; Y173-L207 HydrophobicContact CE2-CB 4.14Å; Y173-L207 HydrophobicContact CE2-CD1 3.96Å; Y173-L207 HydrophobicContact CG-CD1 4.3Å; Y173-L207 HydrophobicContact CG-CD2 3.83Å; Y173-L207 HydrophobicContact CG-CG 4.45Å; N203-L207 VanDerWaalsContact O-CG 3.28Å; N203-L207 WeakPolarHBondContact O-CG 3.28Å; N203-L207 PolarHBondContact O-N 3.13Å; N203-L207 WeakPolarHBondContact OD1-CD1 3.06Å; L205-L207 VanDerWaalsContact C-N 3.31Å; L205-L207 PolarHBondContact O-N 3.04Å; L207-E209 VanDerWaalsContact C-N 3.34Å |
| 208 | L | 77.9 | Confident | 74.3 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 10.7 | 172.6 | -75.7 | -179.8 | 0 | 0 | 0 | 114.4 | F182 C204 L205 S206 L213 L225 V228 R229 | F182-L208 HydrophobicContact CD2-CD2 3.77Å; F182-L208 HydrophobicContact CE2-CD2 3.89Å; C204-L208 WeakPolarHBondContact O-CB 3.26Å; C204-L208 VanDerWaalsContact O-CG 3.28Å; C204-L208 WeakPolarHBondContact O-CG 3.22Å; C204-L208 PolarHBondContact O-N 3.23Å; C204-L208 VanDerWaalsContact O-N 3.11Å; L205-L208 CarbonylContact O-C 3.57Å; L205-L208 PolarHBondContact O-N 3.02Å; L205-L208 VanDerWaalsContact O-N 3.14Å; S206-L208 VanDerWaalsContact C-N 3.28Å; S206-L208 PolarHBondContact O-N 2.75Å; L208-L213 HydrophobicContact CD2-CD1 4.26Å; L208-L225 HydrophobicContact CD2-CD1 4.46Å; L208-L225 HydrophobicContact CD2-CG 4.28Å; L208-V228 HydrophobicContact CD1-CB 3.95Å; L208-V228 HydrophobicContact CD1-CG1 3.44Å; L208-V228 VanDerWaalsContact CD1-CG1 3.44Å; L208-R229 HydrophobicContact CD1-CB 4.4Å; L208-R229 PolarHBondContact O-NH1 3.13Å; L208-R229 VanDerWaalsContact O-NH1 3.15Å |
| 209 | E | 76.7 | Confident | 73 | Confident | 98 Ų | 98 | 62.5 Ų | 62.5 | 46% | 0.458 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -74.1 | 133 | 176.9 | -166.6 | 155.3 | -145.1 | 0 | 0 | 110.5 | L205 S206 L207 A211 K212 L213 | L205-E209 PolarHBondContact O-N 3.24Å; S206-E209 VanDerWaalsContact O-CB 3.27Å; S206-E209 WeakPolarHBondContact O-CB 3.47Å; S206-E209 PolarHBondContact O-N 3.32Å; L207-E209 VanDerWaalsContact C-N 3.34Å; E209-A211 PolarHBondContact O-N 3.19Å; E209-K212 PolarHBondContact O-N 3.1Å; E209-L213 PolarHBondContact O-N 3.2Å |
| 210 | P | 63.3 | Low | 71.9 | Confident | 103 Ų | 103 | 60.3 Ų | 60.3 | 67% | 0.669 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -56.6 | -28 | -173 | -28.1 | 35.6 | 0 | 0 | 0 | 114.7 | K212 | P210-K212 VanDerWaalsContact C-N 3.28Å; P210-K212 PolarHBondContact O-N 2.62Å |
| 211 | A | 55.6 | Low | 70.9 | Confident | 100 Ų | 100 | 63.9 Ų | 63.9 | 83% | 0.826 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -67.9 | -23.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E209 | E209-A211 PolarHBondContact O-N 3.19Š|
| 212 | K | 57.8 | Low | 70.2 | Confident | 88 Ų | 88 | 68 Ų | 68 | 38% | 0.383 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -105.1 | 3.6 | -177.4 | -60.6 | -170.4 | -169.3 | 171.3 | 0 | 114.1 | S206 E209 P210 P214 | S206-K212 WeakPolarHBondContact O-CD 3.45Å; S206-K212 PolarHBondContact OG-NZ 2.79Å; E209-K212 PolarHBondContact O-N 3.1Å; P210-K212 VanDerWaalsContact C-N 3.28Å; P210-K212 PolarHBondContact O-N 2.62Å; K212-P214 WeakPolarHBondContact O-CD 3.2Å |
| 213 | L | 60.4 | Low | 69.6 | Low | 33 Ų | 33 | 65.1 Ų | 65.1 | 17% | 0.173 | 38% | 0.378 | C | S | . | . | trans | -105 | 85.7 | 179.7 | -87.2 | 156.7 | 0 | 0 | 0 | 111.1 | V178 L208 E209 I215 L225 | V178-L213 HydrophobicContact CG1-CD2 4.31Å; L208-L213 HydrophobicContact CD2-CD1 4.26Å; E209-L213 PolarHBondContact O-N 3.2Å; L213-I215 HydrophobicContact CD2-CD1 3.6Å; L213-I215 HydrophobicContact CD2-CG1 3.96Å; L213-I215 PolarHBondContact O-N 2.99Å; L213-L225 HydrophobicContact CD1-CD1 4.26Å | ||
| 214 | P | 53.8 | Low | 69.3 | Low | 107 Ų | 107 | 64 Ų | 64 | 70% | 0.695 | 37% | 0.373 | S | S | * | . | trans | -75.8 | 22.1 | 176.8 | 34.5 | -38.9 | 0 | 0 | 0 | 113.4 | V178 K212 | V178-P214 HydrophobicContact CG2-CG 4.26Å; K212-P214 WeakPolarHBondContact O-CD 3.2Å | ||
| 215 | I | 53.6 | Low | 69 | Low | 32 Ų | 32 | 65.6 Ų | 65.6 | 16% | 0.164 | 38% | 0.381 | C | S | . | . | trans | -90.7 | 131.8 | -171.9 | -41 | -177.4 | 0 | 0 | 0 | 110.1 | V178 V179 L213 K217 D219 L220 | V178-I215 HydrophobicContact CB-CD1 3.91Å; V178-I215 HydrophobicContact CB-CG1 4.14Å; V178-I215 HydrophobicContact CG1-CD1 3.61Å; V178-I215 HydrophobicContact CG1-CG1 3.96Å; V179-I215 HydrophobicContact CG2-CD1 4.44Å; L213-I215 HydrophobicContact CD2-CD1 3.6Å; L213-I215 HydrophobicContact CD2-CG1 3.96Å; L213-I215 PolarHBondContact O-N 2.99Å; I215-K217 PolarHBondContact O-N 3.11Å; I215-D219 HydrophobicContact CG2-CB 3.91Å; I215-L220 HydrophobicContact CD1-CD1 3.6Å; I215-L220 HydrophobicContact CD1-CD2 4.05Å; I215-L220 HydrophobicContact CD1-CG 4.4Å; I215-L220 HydrophobicContact CG2-CD1 4.4Å | ||
| 216 | P | 54.6 | Low | 68.8 | Low | 82 Ų | 82 | 66.9 Ų | 66.9 | 53% | 0.532 | 38% | 0.384 | S | S | . | . | trans | -54 | 132.2 | 162.8 | -21.8 | 33.1 | 0 | 0 | 0 | 110.2 | A218 D219 | P216-A218 PolarHBondContact O-N 3.06Å; P216-D219 PolarHBondContact O-N 3.46Å | ||
| 217 | K | 53.8 | Low | 68.8 | Low | 202 Ų | 202 | 65.2 Ų | 65.2 | 88% | 0.878 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -5 | 179.9 | -69.6 | -176.9 | 177.6 | 179.1 | 0 | 115.1 | I215 | I215-K217 PolarHBondContact O-N 3.11Š|
| 218 | A | 55 | Low | 69.1 | Low | 90 Ų | 90 | 64.4 Ų | 64.4 | 74% | 0.744 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -30.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P216 | P216-A218 PolarHBondContact O-N 3.06Š|
| 219 | D | 62.7 | Low | 69.7 | Low | 100 Ų | 100 | 66.7 Ų | 66.7 | 54% | 0.535 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -25.4 | -167.6 | -58.8 | -38.3 | 0 | 0 | 0 | 113.6 | I215 P216 | I215-D219 HydrophobicContact CG2-CB 3.91Å; P216-D219 PolarHBondContact O-N 3.46Å |
| 220 | L | 66.6 | Low | 70.5 | Confident | 14 Ų | 14 | 62 Ų | 62 | 7% | 0.073 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -99.6 | 122.7 | 170.3 | -108.3 | 66.2 | 0 | 0 | 0 | 110.3 | V179 F182 I215 L222 L225 | V179-L220 HydrophobicContact CB-CD1 4.45Å; V179-L220 HydrophobicContact CG1-CD1 4.3Å; V179-L220 HydrophobicContact CG2-CD1 4Å; F182-L220 HydrophobicContact CB-CD2 4.25Å; F182-L220 HydrophobicContact CD1-CD1 4.11Å; F182-L220 HydrophobicContact CD1-CD2 3.59Å; F182-L220 HydrophobicContact CD1-CG 3.69Å; F182-L220 HydrophobicContact CD2-CD2 3.89Å; F182-L220 HydrophobicContact CE1-CD2 3.86Å; F182-L220 HydrophobicContact CE1-CG 3.9Å; F182-L220 HydrophobicContact CE2-CD2 4.14Å; F182-L220 HydrophobicContact CG-CD2 3.61Å; F182-L220 HydrophobicContact CG-CG 4.2Å; F182-L220 HydrophobicContact CZ-CD2 4.12Å; I215-L220 HydrophobicContact CD1-CD1 3.6Å; I215-L220 HydrophobicContact CD1-CD2 4.05Å; I215-L220 HydrophobicContact CD1-CG 4.4Å; I215-L220 HydrophobicContact CG2-CD1 4.4Å; L220-L222 PolarHBondContact O-N 3.12Å; L220-L225 HydrophobicContact CD2-CD1 4.28Å |
| 221 | P | 73 | Confident | 71.9 | Confident | 76 Ų | 76 | 57.1 Ų | 57.1 | 49% | 0.494 | 32% | 0.323 | S | S | . | . | trans | -61.8 | 113.7 | 171.1 | 23.2 | -30.7 | 0 | 0 | 0 | 109.9 | E223 S224 L225 | P221-E223 PolarHBondContact O-N 2.92Å; P221-E223 VanDerWaalsContact O-N 3.11Å; P221-S224 WeakPolarHBondContact CG-OG 3.3Å; P221-S224 WeakPolarHBondContact O-CB 3Å; P221-S224 PolarHBondContact O-N 2.72Å; P221-L225 PolarHBondContact O-N 3.14Å | ||
| 222 | L | 78.1 | Confident | 73.7 | Confident | 87 Ų | 87 | 52.3 Ų | 52.3 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -52.8 | -37 | -173.1 | -176.7 | 63.7 | 0 | 0 | 0 | 113.4 | L220 S224 L225 Y226 L266 | L220-L222 PolarHBondContact O-N 3.12Å; L222-S224 VanDerWaalsContact C-N 3.32Å; L222-S224 PolarHBondContact O-N 3.48Å; L222-L225 PolarHBondContact O-N 3.4Å; L222-Y226 HydrophobicContact CD1-CD2 4.08Å; L222-Y226 HydrophobicContact CD1-CE2 3.57Å; L222-Y226 HydrophobicContact CD2-CE2 4.13Å; L222-Y226 HydrophobicContact CG-CD2 3.95Å; L222-Y226 HydrophobicContact CG-CE2 3.62Å; L222-Y226 VanDerWaalsContact O-CD2 3.25Å; L222-Y226 WeakPolarHBondContact O-CD2 2.99Å; L222-Y226 PolarHBondContact O-N 3.15Å; L222-Y226 VanDerWaalsContact O-N 3.16Å; L222-L266 HydrophobicContact CD2-CD2 4.31Å |
| 223 | E | 79.5 | Confident | 75.5 | Confident | 50 Ų | 50 | 48.1 Ų | 48.1 | 23% | 0.234 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.7 | -38.2 | 175.6 | -173.1 | 178 | -123.3 | 0 | 0 | 112.3 | P221 L227 S268 S329 N330 | P221-E223 PolarHBondContact O-N 2.92Å; P221-E223 VanDerWaalsContact O-N 3.11Å; E223-L227 WeakPolarHBondContact O-CB 3.49Å; E223-L227 PolarHBondContact O-N 3.36Å; E223-S268 WeakPolarHBondContact OE1-CB 3.34Å; E223-S268 PolarHBondContact OE1-OG 3.41Å; E223-S329 PolarHBondContact OE1-OG 3Å; E223-S329 WeakPolarHBondContact OE2-CB 3.24Å; E223-S329 PolarHBondContact OE2-OG 2.9Å; E223-N330 PolarHBondContact OE2-ND2 2.94Å |
| 224 | S | 82.8 | Confident | 77.2 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.1 | -34.5 | 177.3 | -53.6 | 0 | 0 | 0 | 0 | 112.4 | P221 L222 L227 V228 N330 | P221-S224 WeakPolarHBondContact CG-OG 3.3Å; P221-S224 WeakPolarHBondContact O-CB 3Å; P221-S224 PolarHBondContact O-N 2.72Å; L222-S224 VanDerWaalsContact C-N 3.32Å; L222-S224 PolarHBondContact O-N 3.48Å; S224-L227 WeakPolarHBondContact O-CB 3.29Å; S224-L227 PolarHBondContact O-N 2.93Å; S224-V228 WeakPolarHBondContact O-CG2 3.43Å; S224-V228 PolarHBondContact O-N 2.73Å; S224-N330 PolarHBondContact OG-ND2 2.75Å |
| 225 | L | 84.1 | Confident | 79.2 | Confident | 34 Ų | 34 | 41.5 Ų | 41.5 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 175.9 | -176.6 | 152.7 | 0 | 0 | 0 | 110.6 | F182 L208 L213 L220 P221 L222 V228 R229 | F182-L225 HydrophobicContact CZ-CB 4.47Å; L208-L225 HydrophobicContact CD2-CD1 4.46Å; L208-L225 HydrophobicContact CD2-CG 4.28Å; L213-L225 HydrophobicContact CD1-CD1 4.26Å; L220-L225 HydrophobicContact CD2-CD1 4.28Å; P221-L225 PolarHBondContact O-N 3.14Å; L222-L225 PolarHBondContact O-N 3.4Å; L225-V228 PolarHBondContact O-N 3.04Å; L225-R229 WeakPolarHBondContact O-CB 3.14Å; L225-R229 PolarHBondContact O-N 3.09Å |
| 226 | Y | 86.5 | Confident | 81.1 | Confident | 46 Ų | 46 | 40 Ų | 40 | 18% | 0.18 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.1 | -37.5 | 174.3 | -72 | -64 | 0 | 0 | 0 | 112.2 | L222 R229 T230 V259 E262 L263 L266 | L222-Y226 HydrophobicContact CD1-CD2 4.08Å; L222-Y226 HydrophobicContact CD1-CE2 3.57Å; L222-Y226 HydrophobicContact CD2-CE2 4.13Å; L222-Y226 HydrophobicContact CG-CD2 3.95Å; L222-Y226 HydrophobicContact CG-CE2 3.62Å; L222-Y226 VanDerWaalsContact O-CD2 3.25Å; L222-Y226 WeakPolarHBondContact O-CD2 2.99Å; L222-Y226 PolarHBondContact O-N 3.15Å; L222-Y226 VanDerWaalsContact O-N 3.16Å; Y226-R229 PolarHBondContact O-N 2.64Å; Y226-T230 VanDerWaalsContact O-CB 3.3Å; Y226-T230 WeakPolarHBondContact O-CB 3.39Å; Y226-T230 PolarHBondContact O-N 3.39Å; Y226-T230 PolarHBondContact O-OG1 2.8Å; Y226-V259 HydrophobicContact CD1-CG1 4.28Å; Y226-E262 HydrophobicContact CE1-CB 3.84Å; Y226-E262 HydrophobicContact CE1-CG 4.43Å; Y226-L263 HydrophobicContact CG-CD2 4.41Å; Y226-L266 HydrophobicContact CD2-CD1 3.58Å; Y226-L266 HydrophobicContact CE2-CD1 3.88Å; Y226-L266 HydrophobicContact CG-CD1 4.4Å |
| 227 | L | 85.8 | Confident | 83.1 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.9 | -54.2 | 173.5 | 176.1 | 61.8 | 0 | 0 | 0 | 111.9 | L186 E223 S224 T230 V231 L274 N330 I331 L335 | L186-L227 HydrophobicContact CD1-CD2 4.13Å; E223-L227 WeakPolarHBondContact O-CB 3.49Å; E223-L227 PolarHBondContact O-N 3.36Å; S224-L227 WeakPolarHBondContact O-CB 3.29Å; S224-L227 PolarHBondContact O-N 2.93Å; L227-T230 PolarHBondContact O-N 3Å; L227-V231 HydrophobicContact CD1-CG2 4.02Å; L227-V231 WeakPolarHBondContact O-CG2 3.44Å; L227-V231 PolarHBondContact O-N 2.77Å; L227-L274 HydrophobicContact CB-CD2 4.3Å; L227-L274 HydrophobicContact CD1-CD1 3.96Å; L227-L274 HydrophobicContact CD1-CD2 3.85Å; L227-N330 HydrophobicContact CD2-CB 4.07Å; L227-N330 WeakPolarHBondContact CD2-O 3.47Å; L227-I331 HydrophobicContact CD1-CD1 4.17Å; L227-I331 HydrophobicContact CD1-CG1 3.91Å; L227-I331 HydrophobicContact CD2-CG1 4.17Å; L227-L335 HydrophobicContact CD1-CD2 4.29Å |
| 228 | V | 89.1 | Confident | 85 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.7 | -50.8 | 179.3 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | F182 L186 I189 L208 S224 L225 T230 V231 C232 | F182-V228 HydrophobicContact CE2-CB 4.16Å; F182-V228 HydrophobicContact CE2-CG2 3.86Å; F182-V228 HydrophobicContact CZ-CG2 4.02Å; L186-V228 HydrophobicContact CB-CG2 4.04Å; L186-V228 HydrophobicContact CD1-CG2 3.76Å; L186-V228 HydrophobicContact CG-CG2 4.5Å; I189-V228 HydrophobicContact CD1-CB 4.41Å; I189-V228 HydrophobicContact CD1-CG1 3.67Å; I189-V228 HydrophobicContact CD1-CG2 4.37Å; L208-V228 HydrophobicContact CD1-CB 3.95Å; L208-V228 HydrophobicContact CD1-CG1 3.44Å; L208-V228 VanDerWaalsContact CD1-CG1 3.44Å; S224-V228 WeakPolarHBondContact O-CG2 3.43Å; S224-V228 PolarHBondContact O-N 2.73Å; L225-V228 PolarHBondContact O-N 3.04Å; V228-T230 VanDerWaalsContact C-N 3.33Å; V228-T230 PolarHBondContact O-N 2.77Å; V228-V231 PolarHBondContact O-N 3.09Å; V228-C232 WeakPolarHBondContact O-CB 3.46Å; V228-C232 PolarHBondContact O-N 3.12Å; V228-C232 PolarHBondContact O-SG 2.84Å |
| 229 | R | 91.5 | Very high | 86.7 | Confident | 51 Ų | 51 | 27 Ų | 27 | 19% | 0.192 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.3 | -43.1 | -177.9 | -167.6 | 177.7 | -179.3 | 102.7 | 5 | 112.4 | L205 L208 L225 Y226 L233 V259 | L205-R229 HydrophobicContact CD2-CG 3.9Å; L208-R229 HydrophobicContact CD1-CB 4.4Å; L208-R229 PolarHBondContact O-NH1 3.13Å; L208-R229 VanDerWaalsContact O-NH1 3.15Å; L225-R229 WeakPolarHBondContact O-CB 3.14Å; L225-R229 PolarHBondContact O-N 3.09Å; Y226-R229 PolarHBondContact O-N 2.64Å; R229-L233 HydrophobicContact CG-CD1 4.23Å; R229-L233 WeakPolarHBondContact O-CG 3.3Å; R229-L233 PolarHBondContact O-N 2.68Å; R229-L233 VanDerWaalsContact O-N 3.08Å; R229-V259 HydrophobicContact CG-CG2 4.06Å |
| 230 | T | 92.2 | Very high | 88 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.9 | -47.7 | -179.3 | -48.4 | 0 | 0 | 0 | 0 | 111.5 | Y226 L227 V228 C232 L233 M234 L256 V259 L263 L274 A278 | Y226-T230 VanDerWaalsContact O-CB 3.3Å; Y226-T230 WeakPolarHBondContact O-CB 3.39Å; Y226-T230 PolarHBondContact O-N 3.39Å; Y226-T230 PolarHBondContact O-OG1 2.8Å; L227-T230 PolarHBondContact O-N 3Å; V228-T230 VanDerWaalsContact C-N 3.33Å; V228-T230 PolarHBondContact O-N 2.77Å; T230-C232 PolarHBondContact O-N 2.82Å; T230-L233 PolarHBondContact O-N 3.38Å; T230-M234 HydrophobicContact CG2-CG 4.47Å; T230-M234 HydrophobicContact CG2-SD 3.84Å; T230-M234 WeakPolarHBondContact O-CB 3.49Å; T230-M234 VanDerWaalsContact O-CG 3.29Å; T230-M234 WeakPolarHBondContact O-CG 3.22Å; T230-M234 PolarHBondContact O-N 3.26Å; T230-L256 HydrophobicContact CG2-CD1 3.99Å; T230-V259 HydrophobicContact CG2-CG1 4.5Å; T230-V259 WeakPolarHBondContact OG1-CG1 3.45Å; T230-L263 HydrophobicContact CG2-CD1 3.9Å; T230-L263 WeakPolarHBondContact OG1-CD1 3.38Å; T230-L274 HydrophobicContact CG2-CD1 4.19Å; T230-L274 HydrophobicContact CG2-CD2 4.37Å; T230-L274 HydrophobicContact CG2-CG 4.1Å; T230-A278 HydrophobicContact CG2-CB 3.81Å |
| 231 | V | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.9 | -41.3 | 179.4 | 175.2 | 0 | 0 | 0 | 0 | 111 | I189 F195 L227 V228 L233 M234 E235 L274 L335 L339 | I189-V231 HydrophobicContact CG2-CB 4.26Å; I189-V231 HydrophobicContact CG2-CG1 3.79Å; F195-V231 HydrophobicContact CE1-CG1 4.18Å; F195-V231 HydrophobicContact CZ-CG1 4.32Å; L227-V231 HydrophobicContact CD1-CG2 4.02Å; L227-V231 WeakPolarHBondContact O-CG2 3.44Å; L227-V231 PolarHBondContact O-N 2.77Å; V228-V231 PolarHBondContact O-N 3.09Å; V231-L233 PolarHBondContact O-N 3.45Å; V231-M234 PolarHBondContact O-N 2.97Å; V231-E235 HydrophobicContact CG1-CG 4.31Å; V231-E235 WeakPolarHBondContact O-CB 3.43Å; V231-E235 WeakPolarHBondContact O-CG 3.46Å; V231-E235 PolarHBondContact O-N 3.44Å; V231-L274 HydrophobicContact CG2-CD1 4.2Å; V231-L335 HydrophobicContact CG1-CD1 4.08Å; V231-L335 HydrophobicContact CG2-CD1 4.37Å; V231-L339 HydrophobicContact CG2-CD1 4.31Å |
| 232 | C | 94.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.4 | -42.3 | 175.6 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | F201 L205 V228 T230 L236 | F201-C232 HydrophobicContact CB-CB 4.33Å; F201-C232 HydrophobicContact CD1-CB 4.01Å; L205-C232 HydrophobicContact CD1-CB 4.01Å; L205-C232 HydrophobicContact CD2-CB 3.81Å; L205-C232 HydrophobicContact CG-CB 3.66Å; V228-C232 WeakPolarHBondContact O-CB 3.46Å; V228-C232 PolarHBondContact O-N 3.12Å; V228-C232 PolarHBondContact O-SG 2.84Å; T230-C232 PolarHBondContact O-N 2.82Å; C232-L236 WeakPolarHBondContact O-CB 3.49Å; C232-L236 PolarHBondContact O-N 2.8Å |
| 233 | L | 96 | Very high | 89.6 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.1 | -47.6 | 176 | -74.7 | 166.2 | 0 | 0 | 0 | 111.9 | L205 R229 T230 V231 E235 L236 I237 L252 Q255 L256 V259 | L205-L233 HydrophobicContact CD1-CD2 3.8Å; L205-L233 HydrophobicContact CD1-CG 4.08Å; L205-L233 HydrophobicContact CD2-CD2 4.42Å; L205-L233 HydrophobicContact CD2-CG 4.05Å; R229-L233 HydrophobicContact CG-CD1 4.23Å; R229-L233 WeakPolarHBondContact O-CG 3.3Å; R229-L233 PolarHBondContact O-N 2.68Å; R229-L233 VanDerWaalsContact O-N 3.08Å; T230-L233 PolarHBondContact O-N 3.38Å; V231-L233 PolarHBondContact O-N 3.45Å; L233-E235 VanDerWaalsContact C-N 3.35Å; L233-E235 PolarHBondContact O-N 3.1Å; L233-L236 PolarHBondContact O-N 2.88Å; L233-I237 WeakPolarHBondContact O-CB 3.14Å; L233-I237 WeakPolarHBondContact O-CD1 3.34Å; L233-I237 WeakPolarHBondContact O-CG1 3.29Å; L233-I237 PolarHBondContact O-N 3.45Å; L233-L252 HydrophobicContact CD2-CD2 3.99Å; L233-Q255 HydrophobicContact CD1-CB 4.13Å; L233-Q255 HydrophobicContact CD2-CB 3.88Å; L233-L256 HydrophobicContact CB-CB 4.39Å; L233-L256 HydrophobicContact CB-CD1 4.11Å; L233-V259 HydrophobicContact CD1-CB 4.44Å; L233-V259 HydrophobicContact CD1-CG2 3.94Å |
| 234 | M | 95.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57 | -45.7 | 177.7 | -75.8 | 168 | 60.9 | 0 | 0 | 112.5 | T230 V231 R238 L256 F277 A278 W281 L339 | T230-M234 HydrophobicContact CG2-CG 4.47Å; T230-M234 HydrophobicContact CG2-SD 3.84Å; T230-M234 WeakPolarHBondContact O-CB 3.49Å; T230-M234 VanDerWaalsContact O-CG 3.29Å; T230-M234 WeakPolarHBondContact O-CG 3.22Å; T230-M234 PolarHBondContact O-N 3.26Å; V231-M234 PolarHBondContact O-N 2.97Å; M234-R238 WeakPolarHBondContact O-CB 3.28Å; M234-R238 PolarHBondContact O-N 2.89Å; M234-R238 VanDerWaalsContact O-N 3.08Å; M234-L256 HydrophobicContact CG-CD1 3.92Å; M234-L256 HydrophobicContact CG-CD2 4.21Å; M234-F277 HydrophobicContact CE-CB 3.84Å; M234-A278 HydrophobicContact SD-CB 4.41Å; M234-W281 HydrophobicContact CB-CD2 4.49Å; M234-W281 HydrophobicContact CB-CG 4.12Å; M234-W281 HydrophobicContact CE-CD2 3.52Å; M234-W281 HydrophobicContact CE-CE3 3.65Å; M234-W281 HydrophobicContact CE-CG 4.05Å; M234-W281 HydrophobicContact CE-CH2 3.9Å; M234-W281 HydrophobicContact CE-CZ2 3.81Å; M234-W281 HydrophobicContact CE-CZ3 3.84Å; M234-W281 HydrophobicContact CG-CB 4.18Å; M234-W281 HydrophobicContact CG-CD2 4.38Å; M234-W281 HydrophobicContact CG-CG 3.91Å; M234-W281 VanDerWaalsContact O-CD1 3.28Å; M234-W281 PolarHBondContact O-NE1 3.17Å; M234-W281 VanDerWaalsContact O-NE1 3.15Å; M234-L339 HydrophobicContact CE-CD2 3.74Å |
| 235 | E | 94.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -74 | -38.5 | 179.8 | -74.4 | -61.9 | 130.7 | 0 | 0 | 112.7 | F195 F201 V231 L233 R238 V239 H338 | F195-E235 HydrophobicContact CD1-CG 3.68Å; F195-E235 HydrophobicContact CE1-CG 3.7Å; F201-E235 HydrophobicContact CD1-CB 4.27Å; F201-E235 HydrophobicContact CD2-CB 3.95Å; F201-E235 HydrophobicContact CE1-CB 3.94Å; F201-E235 HydrophobicContact CE1-CG 4.29Å; F201-E235 HydrophobicContact CE2-CB 3.61Å; F201-E235 HydrophobicContact CE2-CG 4.33Å; F201-E235 HydrophobicContact CG-CB 4.27Å; F201-E235 HydrophobicContact CZ-CB 3.59Å; F201-E235 HydrophobicContact CZ-CG 3.9Å; V231-E235 HydrophobicContact CG1-CG 4.31Å; V231-E235 WeakPolarHBondContact O-CB 3.43Å; V231-E235 WeakPolarHBondContact O-CG 3.46Å; V231-E235 PolarHBondContact O-N 3.44Å; L233-E235 VanDerWaalsContact C-N 3.35Å; L233-E235 PolarHBondContact O-N 3.1Å; E235-R238 PolarHBondContact O-N 2.98Å; E235-R238 IonicContact OE1-NE 2.71Å; E235-R238 PolarHBondContact OE1-NE 3.39Å; E235-R238 IonicContact OE2-CZ 2.72Å; E235-R238 IonicContact OE2-NE 3.2Å; E235-R238 PolarHBondContact OE2-NE 3.25Å; E235-R238 IonicContact OE2-NH2 3.72Å; E235-R238 PolarHBondContact OE2-NH2 2.84Å; E235-V239 WeakPolarHBondContact O-CB 3.42Å; E235-V239 VanDerWaalsContact O-CG2 3.27Å; E235-V239 WeakPolarHBondContact O-CG2 3.3Å; E235-V239 PolarHBondContact O-N 3.38Å; E235-H338 IonicContact OE1-CD2 3.67Å; E235-H338 IonicContact OE1-CE1 2.67Å; E235-H338 IonicContact OE1-NE2 2.8Å; E235-H338 PolarHBondContact OE1-NE2 3.46Å; E235-H338 IonicContact OE2-NE2 3.65Å |
| 236 | L | 94.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 175.8 | -177.8 | 64.4 | 0 | 0 | 0 | 111.3 | A198 F201 H202 L205 C232 L233 V239 T240 L252 | A198-L236 HydrophobicContact CB-CD1 4.05Å; F201-L236 HydrophobicContact CB-CB 4.17Å; H202-L236 WeakPolarHBondContact ND1-CD1 3.43Å; H202-L236 WeakPolarHBondContact ND1-CD2 3.14Å; L205-L236 HydrophobicContact CD1-CD2 3.8Å; C232-L236 WeakPolarHBondContact O-CB 3.49Å; C232-L236 PolarHBondContact O-N 2.8Å; L233-L236 PolarHBondContact O-N 2.88Å; L236-V239 PolarHBondContact O-N 2.95Å; L236-T240 HydrophobicContact CD1-CG2 3.72Å; L236-T240 HydrophobicContact CG-CG2 4.44Å; L236-T240 WeakPolarHBondContact O-CB 3.09Å; L236-T240 WeakPolarHBondContact O-CG2 3.16Å; L236-T240 PolarHBondContact O-N 3.48Å; L236-T240 PolarHBondContact O-OG1 2.84Å; L236-L252 HydrophobicContact CD2-CD1 3.98Å; L236-L252 HydrophobicContact CD2-CD2 3.56Å; L236-L252 HydrophobicContact CD2-CG 4.44Å; L236-L252 HydrophobicContact CG-CD1 3.92Å; L236-L252 HydrophobicContact CG-CD2 4.36Å |
| 237 | I | 96.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.6 | -46.4 | 173.3 | -67.9 | 162.2 | 0 | 0 | 0 | 110.5 | L233 V239 S241 L252 L253 L256 Y285 | L233-I237 WeakPolarHBondContact O-CB 3.14Å; L233-I237 WeakPolarHBondContact O-CD1 3.34Å; L233-I237 WeakPolarHBondContact O-CG1 3.29Å; L233-I237 PolarHBondContact O-N 3.45Å; I237-V239 PolarHBondContact O-N 2.87Å; I237-S241 WeakPolarHBondContact O-CA 3.41Å; I237-S241 VanDerWaalsContact O-CB 3.28Å; I237-S241 WeakPolarHBondContact O-CB 3.39Å; I237-S241 PolarHBondContact O-N 2.95Å; I237-L252 HydrophobicContact CD1-CB 4.13Å; I237-L252 HydrophobicContact CG1-CB 3.64Å; I237-L252 HydrophobicContact CG1-CD1 4.31Å; I237-L253 HydrophobicContact CD1-CD2 4.24Å; I237-L253 HydrophobicContact CG2-CD2 4.49Å; I237-L256 HydrophobicContact CD1-CB 4.03Å; I237-L256 HydrophobicContact CD1-CD2 3.79Å; I237-Y285 HydrophobicContact CG2-CD1 3.75Å; I237-Y285 HydrophobicContact CG2-CD2 3.68Å; I237-Y285 HydrophobicContact CG2-CE1 4.39Å; I237-Y285 HydrophobicContact CG2-CE2 4.34Å; I237-Y285 HydrophobicContact CG2-CG 3.37Å |
| 238 | R | 93.9 | Very high | 90.7 | Very high | 55 Ų | 55 | 28.9 Ų | 28.9 | 21% | 0.208 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.4 | -52.4 | 177.8 | -179.5 | 175.5 | 81.7 | 83.5 | 17.8 | 111.5 | M234 E235 S241 Y285 E342 | M234-R238 WeakPolarHBondContact O-CB 3.28Å; M234-R238 PolarHBondContact O-N 2.89Å; M234-R238 VanDerWaalsContact O-N 3.08Å; E235-R238 PolarHBondContact O-N 2.98Å; E235-R238 IonicContact OE1-NE 2.71Å; E235-R238 PolarHBondContact OE1-NE 3.39Å; E235-R238 IonicContact OE2-CZ 2.72Å; E235-R238 IonicContact OE2-NE 3.2Å; E235-R238 PolarHBondContact OE2-NE 3.25Å; E235-R238 IonicContact OE2-NH2 3.72Å; E235-R238 PolarHBondContact OE2-NH2 2.84Å; R238-S241 PolarHBondContact O-OG 3.46Å; R238-Y285 HydrophobicContact CB-CE2 4.47Å; R238-Y285 WeakPolarHBondContact CG-OH 3.4Å; R238-E342 IonicContact CZ-OE2 3.81Å; R238-E342 IonicContact NE-OE2 2.76Å; R238-E342 IonicContact NH1-OE2 3.04Å; R238-E342 PolarHBondContact NH1-OE2 3.36Å |
| 239 | V | 90 | Very high | 90.9 | Very high | 45 Ų | 45 | 28.9 Ų | 28.9 | 27% | 0.273 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -71.6 | -37.6 | -175 | 175.4 | 0 | 0 | 0 | 0 | 112.6 | G196 A198 E235 L236 I237 | G196-V239 WeakPolarHBondContact O-CG1 3.4Å; A198-V239 HydrophobicContact CB-CG1 3.97Å; E235-V239 WeakPolarHBondContact O-CB 3.42Å; E235-V239 VanDerWaalsContact O-CG2 3.27Å; E235-V239 WeakPolarHBondContact O-CG2 3.3Å; E235-V239 PolarHBondContact O-N 3.38Å; L236-V239 PolarHBondContact O-N 2.95Å; I237-V239 PolarHBondContact O-N 2.87Å |
| 240 | T | 90 | Very high | 91.1 | Very high | 17 Ų | 17 | 27.8 Ų | 27.8 | 10% | 0.104 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -93.5 | 2 | -177 | 65.4 | 0 | 0 | 0 | 0 | 114.1 | A198 L236 Q242 T243 S244 | A198-T240 HydrophobicContact CB-CG2 3.92Å; L236-T240 HydrophobicContact CD1-CG2 3.72Å; L236-T240 HydrophobicContact CG-CG2 4.44Å; L236-T240 WeakPolarHBondContact O-CB 3.09Å; L236-T240 WeakPolarHBondContact O-CG2 3.16Å; L236-T240 PolarHBondContact O-N 3.48Å; L236-T240 PolarHBondContact O-OG1 2.84Å; T240-Q242 PolarHBondContact O-N 2.98Å; T240-T243 PolarHBondContact O-N 3.01Å; T240-S244 WeakPolarHBondContact O-CB 3.42Å; T240-S244 PolarHBondContact O-N 2.76Å; T240-S244 PolarHBondContact O-OG 2.92Å |
| 241 | S | 89.2 | Confident | 91.1 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -28 | -176.9 | 54.4 | 0 | 0 | 0 | 0 | 115 | I237 R238 R292 | I237-S241 WeakPolarHBondContact O-CA 3.41Å; I237-S241 VanDerWaalsContact O-CB 3.28Å; I237-S241 WeakPolarHBondContact O-CB 3.39Å; I237-S241 PolarHBondContact O-N 2.95Å; R238-S241 PolarHBondContact O-OG 3.46Å; S241-R292 VanDerWaalsContact O-CD 3.27Å; S241-R292 WeakPolarHBondContact O-CD 3.4Å; S241-R292 PolarHBondContact O-NE 2.99Å; S241-R292 PolarHBondContact O-NH1 3.4Å |
| 242 | Q | 80.6 | Confident | 91.2 | Very high | 74 Ų | 74 | 33.2 Ų | 33.2 | 35% | 0.346 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -37.8 | 173.7 | -69.2 | -168.1 | -17.9 | 0 | 0 | 114.2 | T240 R292 C551 I553 | T240-Q242 PolarHBondContact O-N 2.98Å; Q242-R292 PolarHBondContact O-NH2 2.73Å; Q242-R292 VanDerWaalsContact O-NH2 3.17Å; Q242-C551 WeakPolarHBondContact CG-O 3.41Å; Q242-C551 PolarHBondContact NE2-O 2.79Å; Q242-I553 PolarHBondContact NE2-O 3.13Å; Q242-I553 VanDerWaalsContact NE2-O 3.1Å |
| 243 | T | 81.9 | Confident | 91.3 | Very high | 95 Ų | 95 | 33.2 Ų | 33.2 | 58% | 0.583 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -30.7 | -163 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | T240 | T240-T243 PolarHBondContact O-N 3.01Š|
| 244 | S | 85.4 | Confident | 91.3 | Very high | 12 Ų | 12 | 35.7 Ų | 35.7 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -59 | 147.2 | 175.4 | 53.2 | 0 | 0 | 0 | 0 | 111.5 | T240 R292 | T240-S244 WeakPolarHBondContact O-CB 3.42Å; T240-S244 PolarHBondContact O-N 2.76Å; T240-S244 PolarHBondContact O-OG 2.92Å; S244-R292 PolarHBondContact O-NH1 2.89Å; S244-R292 PolarHBondContact O-NH2 3.32Å; S244-R292 PolarHBondContact OG-NH1 2.85Å |
| 245 | C | 88.8 | Confident | 91.2 | Very high | 37 Ų | 37 | 39.3 Ų | 39.3 | 25% | 0.25 | 21% | 0.212 | C | C | . | . | trans | -69.1 | 160.4 | 166.9 | 89.3 | 0 | 0 | 0 | 0 | 110 | S247 D248 M249 V1646 | C245-S247 VanDerWaalsContact C-N 3.27Å; C245-S247 PolarHBondContact O-N 3.4Å; C245-D248 PolarHBondContact O-N 2.95Å; C245-D248 PolarHBondContact SG-N 3.01Å; C245-D248 PolarHBondContact SG-OD2 3.47Å; C245-M249 PolarHBondContact O-N 3.24Å; C245-V1646 HydrophobicContact CB-CG1 3.91Å | ||
| 246 | L | 88.7 | Confident | 91.2 | Very high | 53 Ų | 53 | 39.3 Ų | 39.3 | 28% | 0.277 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58 | -40.1 | -178.1 | -73.2 | 171.2 | 0 | 0 | 0 | 112.2 | D248 M249 H250 Y289 R292 | L246-D248 PolarHBondContact O-N 3.3Å; L246-M249 PolarHBondContact O-N 3.48Å; L246-H250 WeakPolarHBondContact O-CB 3.45Å; L246-H250 PolarHBondContact O-N 3.21Å; L246-Y289 HydrophobicContact CB-CE2 4.03Å; L246-Y289 HydrophobicContact CD2-CD2 3.95Å; L246-Y289 HydrophobicContact CD2-CE2 3.74Å; L246-Y289 HydrophobicContact CG-CE2 4.49Å; L246-Y289 VanDerWaalsContact O-CE2 3.3Å; L246-Y289 WeakPolarHBondContact O-CE2 3.25Å; L246-R292 HydrophobicContact CD2-CB 3.69Å |
| 247 | S | 89.3 | Confident | 91.3 | Very high | 76 Ų | 76 | 40.4 Ų | 40.4 | 53% | 0.531 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.4 | -46.8 | 177.2 | -178.3 | 0 | 0 | 0 | 0 | 111.9 | C245 H250 Q251 | C245-S247 VanDerWaalsContact C-N 3.27Å; C245-S247 PolarHBondContact O-N 3.4Å; S247-H250 PolarHBondContact O-N 3.48Å; S247-Q251 WeakPolarHBondContact O-CG 3.38Å; S247-Q251 PolarHBondContact O-N 2.96Å |
| 248 | D | 90.1 | Very high | 91.1 | Very high | 83 Ų | 83 | 42.6 Ų | 42.6 | 44% | 0.444 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.5 | -42 | -179.3 | -54.2 | -33 | 0 | 0 | 0 | 111.1 | C245 L246 H250 Q251 L252 | C245-D248 PolarHBondContact O-N 2.95Å; C245-D248 PolarHBondContact SG-N 3.01Å; C245-D248 PolarHBondContact SG-OD2 3.47Å; L246-D248 PolarHBondContact O-N 3.3Å; D248-H250 VanDerWaalsContact C-N 3.33Å; D248-H250 PolarHBondContact O-N 3.19Å; D248-Q251 PolarHBondContact O-N 3.16Å; D248-L252 VanDerWaalsContact O-CG 3.32Å; D248-L252 WeakPolarHBondContact O-CG 3.32Å; D248-L252 PolarHBondContact O-N 2.8Å |
| 249 | M | 93.7 | Very high | 91 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.9 | -42.5 | 175.9 | -170.8 | 175 | -178.2 | 0 | 0 | 111.5 | C245 L246 L252 L253 Y285 V288 Y289 | C245-M249 PolarHBondContact O-N 3.24Å; L246-M249 PolarHBondContact O-N 3.48Å; M249-L252 PolarHBondContact O-N 3.27Å; M249-L253 HydrophobicContact CG-CD1 4.38Å; M249-L253 WeakPolarHBondContact O-CG 3.32Å; M249-L253 PolarHBondContact O-N 3.1Å; M249-Y285 HydrophobicContact CE-CD1 4.16Å; M249-V288 HydrophobicContact CE-CB 4.13Å; M249-V288 HydrophobicContact CE-CG1 3.86Å; M249-Y289 HydrophobicContact CB-CD2 4.24Å; M249-Y289 HydrophobicContact CG-CD2 4.14Å; M249-Y289 HydrophobicContact SD-CD2 4.09Å |
| 250 | H | 94 | Very high | 91.1 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 13% | 0.125 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.5 | -47.2 | 174.7 | -174.3 | 108.8 | 0 | 0 | 0 | 111.2 | L246 S247 D248 L252 L253 I254 Y289 D387 | L246-H250 WeakPolarHBondContact O-CB 3.45Å; L246-H250 PolarHBondContact O-N 3.21Å; S247-H250 PolarHBondContact O-N 3.48Å; D248-H250 VanDerWaalsContact C-N 3.33Å; D248-H250 PolarHBondContact O-N 3.19Å; H250-L252 VanDerWaalsContact C-N 3.34Å; H250-L252 PolarHBondContact O-N 3.15Å; H250-L253 PolarHBondContact O-N 3.47Å; H250-I254 WeakPolarHBondContact O-CG1 3.44Å; H250-I254 PolarHBondContact O-N 3.37Å; H250-Y289 HydrophobicContact CB-CE2 3.94Å; H250-Y289 AromaticContact ND1-CE1 3.72Å; H250-Y289 AromaticContact ND1-CZ 3.7Å; H250-Y289 PolarHBondContact ND1-OH 2.87Å; H250-D387 IonicContact CE1-OD1 2.93Å; H250-D387 IonicContact CE1-OD2 2.72Å; H250-D387 IonicContact ND1-OD1 3.7Å |
| 251 | Q | 93.8 | Very high | 91.1 | Very high | 97 Ų | 97 | 39.7 Ų | 39.7 | 45% | 0.453 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.2 | -41.4 | 177.6 | -71.2 | -58.9 | -39 | 0 | 0 | 112.3 | S247 D248 I254 Q255 | S247-Q251 WeakPolarHBondContact O-CG 3.38Å; S247-Q251 PolarHBondContact O-N 2.96Å; D248-Q251 PolarHBondContact O-N 3.16Å; Q251-I254 PolarHBondContact O-N 2.84Å; Q251-Q255 WeakPolarHBondContact O-CB 3.2Å; Q251-Q255 VanDerWaalsContact O-CG 3.31Å; Q251-Q255 WeakPolarHBondContact O-CG 3.38Å; Q251-Q255 PolarHBondContact O-N 3.42Å |
| 252 | L | 94.8 | Very high | 91 | Very high | 17 Ų | 17 | 42.9 Ų | 42.9 | 9% | 0.089 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.3 | -39.9 | 175.6 | -69.3 | 175.5 | 0 | 0 | 0 | 112.4 | L233 L236 I237 D248 M249 H250 Q255 L256 | L233-L252 HydrophobicContact CD2-CD2 3.99Å; L236-L252 HydrophobicContact CD2-CD1 3.98Å; L236-L252 HydrophobicContact CD2-CD2 3.56Å; L236-L252 HydrophobicContact CD2-CG 4.44Å; L236-L252 HydrophobicContact CG-CD1 3.92Å; L236-L252 HydrophobicContact CG-CD2 4.36Å; I237-L252 HydrophobicContact CD1-CB 4.13Å; I237-L252 HydrophobicContact CG1-CB 3.64Å; I237-L252 HydrophobicContact CG1-CD1 4.31Å; D248-L252 VanDerWaalsContact O-CG 3.32Å; D248-L252 WeakPolarHBondContact O-CG 3.32Å; D248-L252 PolarHBondContact O-N 2.8Å; M249-L252 PolarHBondContact O-N 3.27Å; H250-L252 VanDerWaalsContact C-N 3.34Å; H250-L252 PolarHBondContact O-N 3.15Å; L252-Q255 PolarHBondContact O-N 3.32Å; L252-L256 PolarHBondContact O-N 3.14Å |
| 253 | L | 96.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | 174.2 | -73.2 | 167.3 | 0 | 0 | 0 | 111.8 | I237 M249 H250 Q255 L256 E257 L282 Y289 W379 | I237-L253 HydrophobicContact CD1-CD2 4.24Å; I237-L253 HydrophobicContact CG2-CD2 4.49Å; M249-L253 HydrophobicContact CG-CD1 4.38Å; M249-L253 WeakPolarHBondContact O-CG 3.32Å; M249-L253 PolarHBondContact O-N 3.1Å; H250-L253 PolarHBondContact O-N 3.47Å; L253-Q255 VanDerWaalsContact C-N 3.33Å; L253-Q255 PolarHBondContact O-N 2.9Å; L253-L256 PolarHBondContact O-N 3.11Å; L253-E257 PolarHBondContact O-N 2.74Å; L253-L282 HydrophobicContact CB-CD1 4.4Å; L253-L282 HydrophobicContact CD2-CD1 4.08Å; L253-L282 WeakPolarHBondContact O-CD1 3.35Å; L253-Y289 HydrophobicContact CD1-CG 4.14Å; L253-W379 HydrophobicContact CB-CH2 3.84Å; L253-W379 HydrophobicContact CB-CZ2 3.99Å; L253-W379 HydrophobicContact CD2-CZ2 4.43Å |
| 254 | I | 95 | Very high | 91.5 | Very high | 52 Ų | 52 | 37.8 Ų | 37.8 | 27% | 0.267 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.2 | -41.9 | 174.6 | -66.4 | -69.5 | 0 | 0 | 0 | 111.1 | H250 Q251 E257 A258 W379 I383 | H250-I254 WeakPolarHBondContact O-CG1 3.44Å; H250-I254 PolarHBondContact O-N 3.37Å; Q251-I254 PolarHBondContact O-N 2.84Å; I254-E257 PolarHBondContact O-N 2.91Å; I254-A258 WeakPolarHBondContact O-CB 3.36Å; I254-A258 PolarHBondContact O-N 3.26Å; I254-W379 HydrophobicContact CD1-CH2 4.42Å; I254-W379 HydrophobicContact CD1-CZ3 4.14Å; I254-I383 HydrophobicContact CD1-CG2 4.43Å |
| 255 | Q | 94 | Very high | 91.6 | Very high | 75 Ų | 75 | 43.2 Ų | 43.2 | 35% | 0.35 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.9 | -39 | 175.7 | -73.1 | -178 | 25.1 | 0 | 0 | 112.5 | L233 Q251 L252 L253 A258 V259 | L233-Q255 HydrophobicContact CD1-CB 4.13Å; L233-Q255 HydrophobicContact CD2-CB 3.88Å; Q251-Q255 WeakPolarHBondContact O-CB 3.2Å; Q251-Q255 VanDerWaalsContact O-CG 3.31Å; Q251-Q255 WeakPolarHBondContact O-CG 3.38Å; Q251-Q255 PolarHBondContact O-N 3.42Å; L252-Q255 PolarHBondContact O-N 3.32Å; L253-Q255 VanDerWaalsContact C-N 3.33Å; L253-Q255 PolarHBondContact O-N 2.9Å; Q255-A258 PolarHBondContact O-N 3.38Å; Q255-V259 VanDerWaalsContact O-CG2 3.32Å; Q255-V259 WeakPolarHBondContact O-CG2 3.27Å; Q255-V259 PolarHBondContact O-N 2.91Å; Q255-V259 VanDerWaalsContact O-N 3.09Å |
| 256 | L | 95.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.4 | -39.9 | 175.4 | -179 | 62.5 | 0 | 0 | 0 | 111.6 | T230 L233 M234 I237 L252 L253 V259 S260 A278 W281 L282 | T230-L256 HydrophobicContact CG2-CD1 3.99Å; L233-L256 HydrophobicContact CB-CB 4.39Å; L233-L256 HydrophobicContact CB-CD1 4.11Å; M234-L256 HydrophobicContact CG-CD1 3.92Å; M234-L256 HydrophobicContact CG-CD2 4.21Å; I237-L256 HydrophobicContact CD1-CB 4.03Å; I237-L256 HydrophobicContact CD1-CD2 3.79Å; L252-L256 PolarHBondContact O-N 3.14Å; L253-L256 PolarHBondContact O-N 3.11Å; L256-V259 PolarHBondContact O-N 3.44Å; L256-S260 VanDerWaalsContact O-CB 3.27Å; L256-S260 WeakPolarHBondContact O-CB 3.47Å; L256-S260 PolarHBondContact O-N 3.04Å; L256-A278 HydrophobicContact CD1-CB 4.1Å; L256-W281 HydrophobicContact CD2-CB 4.05Å; L256-L282 HydrophobicContact CB-CD1 4.12Å; L256-L282 HydrophobicContact CD2-CB 4.2Å; L256-L282 HydrophobicContact CD2-CD1 4.17Å; L256-L282 HydrophobicContact CG-CD1 4.19Å |
| 257 | E | 95.4 | Very high | 90.6 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 11% | 0.112 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 175.6 | -170.5 | -87.3 | -177.4 | 0 | 0 | 112.4 | L253 I254 V259 S260 S261 L282 W379 K380 | L253-E257 PolarHBondContact O-N 2.74Å; I254-E257 PolarHBondContact O-N 2.91Å; E257-V259 VanDerWaalsContact C-N 3.34Å; E257-V259 PolarHBondContact O-N 3.38Å; E257-S260 PolarHBondContact O-N 3.47Å; E257-S261 WeakPolarHBondContact O-CB 3.16Å; E257-S261 PolarHBondContact O-N 3.18Å; E257-S261 PolarHBondContact O-OG 3.26Å; E257-S261 PolarHBondContact OE1-OG 2.6Å; E257-L282 HydrophobicContact CB-CD1 3.97Å; E257-L282 HydrophobicContact CB-CD2 3.75Å; E257-L282 HydrophobicContact CG-CD2 3.82Å; E257-W379 HydrophobicContact CB-CE3 4.01Å; E257-W379 HydrophobicContact CB-CH2 4.49Å; E257-W379 HydrophobicContact CB-CZ3 3.79Å; E257-W379 HydrophobicContact CG-CE3 3.67Å; E257-W379 HydrophobicContact CG-CZ3 3.93Å; E257-K380 WeakPolarHBondContact OE1-CE 3.25Å; E257-K380 IonicContact OE1-NZ 2.86Å; E257-K380 PolarHBondContact OE1-NZ 3.43Å; E257-K380 VanDerWaalsContact OE2-CE 3.22Å; E257-K380 WeakPolarHBondContact OE2-CE 3.3Å; E257-K380 IonicContact OE2-NZ 3.79Å; E257-K380 PolarHBondContact OE2-NZ 3.06Å |
| 258 | A | 92.9 | Very high | 90.1 | Very high | 48 Ų | 48 | 47.6 Ų | 47.6 | 40% | 0.397 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I254 Q255 S261 E262 | I254-A258 WeakPolarHBondContact O-CB 3.36Å; I254-A258 PolarHBondContact O-N 3.26Å; Q255-A258 PolarHBondContact O-N 3.38Å; A258-S261 WeakPolarHBondContact O-CB 3.34Å; A258-S261 PolarHBondContact O-N 3.47Å; A258-E262 PolarHBondContact O-N 2.97Å |
| 259 | V | 91.3 | Very high | 89.4 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.4 | -40.3 | 176.9 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | Y226 R229 T230 L233 Q255 L256 E257 S261 E262 L263 | Y226-V259 HydrophobicContact CD1-CG1 4.28Å; R229-V259 HydrophobicContact CG-CG2 4.06Å; T230-V259 HydrophobicContact CG2-CG1 4.5Å; T230-V259 WeakPolarHBondContact OG1-CG1 3.45Å; L233-V259 HydrophobicContact CD1-CB 4.44Å; L233-V259 HydrophobicContact CD1-CG2 3.94Å; Q255-V259 VanDerWaalsContact O-CG2 3.32Å; Q255-V259 WeakPolarHBondContact O-CG2 3.27Å; Q255-V259 PolarHBondContact O-N 2.91Å; Q255-V259 VanDerWaalsContact O-N 3.09Å; L256-V259 PolarHBondContact O-N 3.44Å; E257-V259 VanDerWaalsContact C-N 3.34Å; E257-V259 PolarHBondContact O-N 3.38Å; V259-S261 VanDerWaalsContact C-N 3.31Å; V259-S261 PolarHBondContact O-N 3.48Å; V259-E262 PolarHBondContact O-N 3.26Å; V259-L263 HydrophobicContact CG1-CD1 4.41Å; V259-L263 WeakPolarHBondContact O-CG 3.31Å; V259-L263 PolarHBondContact O-N 3.37Å |
| 260 | S | 92.1 | Very high | 88.6 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 7% | 0.07 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 172.8 | 174 | 0 | 0 | 0 | 0 | 111.8 | L256 E257 E262 L263 S264 N275 | L256-S260 VanDerWaalsContact O-CB 3.27Å; L256-S260 WeakPolarHBondContact O-CB 3.47Å; L256-S260 PolarHBondContact O-N 3.04Å; E257-S260 PolarHBondContact O-N 3.47Å; S260-E262 PolarHBondContact O-N 2.63Å; S260-L263 PolarHBondContact O-N 2.98Å; S260-S264 PolarHBondContact O-N 3.09Å; S260-N275 WeakPolarHBondContact CA-OD1 3.48Å; S260-N275 WeakPolarHBondContact CB-OD1 3.27Å; S260-N275 PolarHBondContact O-OD1 3.1Å; S260-N275 VanDerWaalsContact O-OD1 3.06Å; S260-N275 PolarHBondContact OG-OD1 3.39Å |
| 261 | S | 90.4 | Very high | 88 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 174.8 | -64.7 | 0 | 0 | 0 | 0 | 112.3 | E257 A258 V259 S264 | E257-S261 WeakPolarHBondContact O-CB 3.16Å; E257-S261 PolarHBondContact O-N 3.18Å; E257-S261 PolarHBondContact O-OG 3.26Å; E257-S261 PolarHBondContact OE1-OG 2.6Å; A258-S261 WeakPolarHBondContact O-CB 3.34Å; A258-S261 PolarHBondContact O-N 3.47Å; V259-S261 VanDerWaalsContact C-N 3.31Å; V259-S261 PolarHBondContact O-N 3.48Å; S261-S264 PolarHBondContact O-OG 3.42Å |
| 262 | E | 87.6 | Confident | 87.5 | Confident | 72 Ų | 72 | 46.9 Ų | 46.9 | 34% | 0.336 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -71.5 | -39.8 | 175.1 | -63 | -50 | 135.8 | 0 | 0 | 113 | Y226 A258 V259 S260 S264 K265 | Y226-E262 HydrophobicContact CE1-CB 3.84Å; Y226-E262 HydrophobicContact CE1-CG 4.43Å; A258-E262 PolarHBondContact O-N 2.97Å; V259-E262 PolarHBondContact O-N 3.26Å; S260-E262 PolarHBondContact O-N 2.63Å; E262-S264 PolarHBondContact O-N 2.65Å; E262-K265 WeakPolarHBondContact O-CB 3.37Å; E262-K265 PolarHBondContact O-N 3.48Å; E262-K265 VanDerWaalsContact O-N 3.09Å; E262-K265 IonicContact OE1-NZ 2.73Å; E262-K265 PolarHBondContact OE1-NZ 2.86Å; E262-K265 WeakPolarHBondContact OE2-CD 3.34Å; E262-K265 WeakPolarHBondContact OE2-CE 3.36Å; E262-K265 IonicContact OE2-NZ 2.91Å; E262-K265 PolarHBondContact OE2-NZ 3.19Å |
| 263 | L | 86.3 | Confident | 87.1 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.7 | -38.9 | 175.1 | -80 | 173.5 | 0 | 0 | 0 | 112.2 | Y226 T230 V259 S260 K265 L266 S271 L274 N275 | Y226-L263 HydrophobicContact CG-CD2 4.41Å; T230-L263 HydrophobicContact CG2-CD1 3.9Å; T230-L263 WeakPolarHBondContact OG1-CD1 3.38Å; V259-L263 HydrophobicContact CG1-CD1 4.41Å; V259-L263 WeakPolarHBondContact O-CG 3.31Å; V259-L263 PolarHBondContact O-N 3.37Å; S260-L263 PolarHBondContact O-N 2.98Å; L263-K265 PolarHBondContact O-N 2.93Å; L263-L266 HydrophobicContact CD2-CD1 4.46Å; L263-L266 PolarHBondContact O-N 3.44Å; L263-S271 VanDerWaalsContact CD2-OG 3.25Å; L263-S271 WeakPolarHBondContact CD2-OG 3.49Å; L263-S271 PolarHBondContact O-OG 3.33Å; L263-L274 HydrophobicContact CD1-CD2 3.91Å; L263-L274 HydrophobicContact CD1-CG 3.99Å; L263-L274 HydrophobicContact CD2-CD2 3.89Å; L263-N275 HydrophobicContact CB-CB 4.1Å; L263-N275 HydrophobicContact CD1-CB 4.44Å |
| 264 | S | 86.4 | Confident | 86.7 | Confident | 59 Ų | 59 | 46.7 Ų | 46.7 | 41% | 0.413 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.5 | -27.4 | 179.1 | 80 | 0 | 0 | 0 | 0 | 113.4 | S260 S261 E262 | S260-S264 PolarHBondContact O-N 3.09Å; S261-S264 PolarHBondContact O-OG 3.42Å; E262-S264 PolarHBondContact O-N 2.65Å |
| 265 | K | 86.9 | Confident | 86.5 | Confident | 126 Ų | 126 | 45.6 Ų | 45.6 | 55% | 0.548 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -80.1 | -23.6 | -179.2 | -57.6 | 174.5 | -163 | 168.7 | 0 | 113.4 | E262 L263 Q267 | E262-K265 WeakPolarHBondContact O-CB 3.37Å; E262-K265 PolarHBondContact O-N 3.48Å; E262-K265 VanDerWaalsContact O-N 3.09Å; E262-K265 IonicContact OE1-NZ 2.73Å; E262-K265 PolarHBondContact OE1-NZ 2.86Å; E262-K265 WeakPolarHBondContact OE2-CD 3.34Å; E262-K265 WeakPolarHBondContact OE2-CE 3.36Å; E262-K265 IonicContact OE2-NZ 2.91Å; E262-K265 PolarHBondContact OE2-NZ 3.19Å; L263-K265 PolarHBondContact O-N 2.93Å; K265-Q267 VanDerWaalsContact C-N 3.31Å; K265-Q267 PolarHBondContact O-N 3.36Å |
| 266 | L | 81 | Confident | 86.3 | Confident | 67 Ų | 67 | 46 Ų | 46 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -74.4 | -20.4 | -176.2 | -69 | 170.5 | 0 | 0 | 0 | 113.4 | L222 Y226 L263 S268 | L222-L266 HydrophobicContact CD2-CD2 4.31Å; Y226-L266 HydrophobicContact CD2-CD1 3.58Å; Y226-L266 HydrophobicContact CE2-CD1 3.88Å; Y226-L266 HydrophobicContact CG-CD1 4.4Å; L263-L266 HydrophobicContact CD2-CD1 4.46Å; L263-L266 PolarHBondContact O-N 3.44Å; L266-S268 PolarHBondContact O-N 3.24Å |
| 267 | Q | 76.5 | Confident | 86.2 | Confident | 155 Ų | 155 | 46.2 Ų | 46.2 | 72% | 0.724 | 24% | 0.243 | S | C | * | . | trans | 53.3 | 3.6 | 175.7 | -62.3 | -173.7 | -6.3 | 0 | 0 | 117.3 | K265 N272 | K265-Q267 VanDerWaalsContact C-N 3.31Å; K265-Q267 PolarHBondContact O-N 3.36Å; Q267-N272 PolarHBondContact O-ND2 2.74Å | ||
| 268 | S | 79.2 | Confident | 86.1 | Confident | 35 Ų | 35 | 45 Ų | 45 | 25% | 0.245 | 24% | 0.238 | C | C | . | . | trans | -67.2 | 150.4 | 176.3 | 94.7 | 0 | 0 | 0 | 0 | 110.6 | E223 L266 G270 S271 N272 | E223-S268 WeakPolarHBondContact OE1-CB 3.34Å; E223-S268 PolarHBondContact OE1-OG 3.41Å; L266-S268 PolarHBondContact O-N 3.24Å; S268-G270 PolarHBondContact O-N 3.29Å; S268-G270 PolarHBondContact OG-N 3.09Å; S268-S271 PolarHBondContact O-N 3.25Å; S268-S271 WeakPolarHBondContact OG-CB 3.32Å; S268-S271 PolarHBondContact OG-N 3.49Å; S268-N272 WeakPolarHBondContact O-CB 3.25Å; S268-N272 PolarHBondContact O-N 2.99Å; S268-N272 PolarHBondContact O-ND2 3.48Å; S268-N272 PolarHBondContact O-OD1 3.14Å | ||
| 269 | K | 75.6 | Confident | 86.1 | Confident | 123 Ų | 123 | 45.4 Ų | 45.4 | 54% | 0.535 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.3 | -34.8 | 177.7 | -173.1 | 175.1 | 175.2 | -178.2 | 0 | 112.3 | T273 T325 | K269-T273 PolarHBondContact O-N 3.27Å; K269-T273 PolarHBondContact O-OG1 3.46Å; K269-T325 VanDerWaalsContact CE-OG1 3.27Å; K269-T325 WeakPolarHBondContact CE-OG1 3.49Å; K269-T325 PolarHBondContact NZ-OG1 3.25Å |
| 270 | G | 75.8 | Confident | 86.3 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.3 | -47.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S268 N272 T273 L274 | S268-G270 PolarHBondContact O-N 3.29Å; S268-G270 PolarHBondContact OG-N 3.09Å; G270-N272 VanDerWaalsContact C-N 3.35Å; G270-N272 PolarHBondContact O-N 3.39Å; G270-T273 PolarHBondContact O-N 2.98Å; G270-L274 WeakPolarHBondContact O-CB 3.44Å; G270-L274 PolarHBondContact O-N 3.49Å |
| 271 | S | 80.5 | Confident | 86.5 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.7 | -43 | 177.4 | -166.1 | 0 | 0 | 0 | 0 | 111.9 | L263 S268 L274 N275 | L263-S271 VanDerWaalsContact CD2-OG 3.25Å; L263-S271 WeakPolarHBondContact CD2-OG 3.49Å; L263-S271 PolarHBondContact O-OG 3.33Å; S268-S271 PolarHBondContact O-N 3.25Å; S268-S271 WeakPolarHBondContact OG-CB 3.32Å; S268-S271 PolarHBondContact OG-N 3.49Å; S271-L274 PolarHBondContact O-N 3.29Å; S271-N275 VanDerWaalsContact O-CB 3.27Å; S271-N275 WeakPolarHBondContact O-CB 3.41Å; S271-N275 PolarHBondContact O-N 3.47Å |
| 272 | N | 84.7 | Confident | 86.8 | Confident | 65 Ų | 65 | 43.2 Ų | 43.2 | 35% | 0.348 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.7 | -48.2 | 178.8 | -65.3 | -12.1 | 0 | 0 | 0 | 111.5 | Q267 S268 G270 L274 N275 E276 | Q267-N272 PolarHBondContact O-ND2 2.74Å; S268-N272 WeakPolarHBondContact O-CB 3.25Å; S268-N272 PolarHBondContact O-N 2.99Å; S268-N272 PolarHBondContact O-ND2 3.48Å; S268-N272 PolarHBondContact O-OD1 3.14Å; G270-N272 VanDerWaalsContact C-N 3.35Å; G270-N272 PolarHBondContact O-N 3.39Å; N272-L274 PolarHBondContact O-N 3.24Å; N272-N275 WeakPolarHBondContact O-CB 3.46Å; N272-N275 PolarHBondContact O-N 2.68Å; N272-E276 WeakPolarHBondContact O-CG 3.38Å; N272-E276 PolarHBondContact O-N 3.08Å |
| 273 | T | 84.9 | Confident | 87.2 | Confident | 11 Ų | 11 | 40.5 Ų | 40.5 | 7% | 0.067 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.9 | -39.2 | 177.1 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | K269 G270 N275 E276 F277 P322 V324 | K269-T273 PolarHBondContact O-N 3.27Å; K269-T273 PolarHBondContact O-OG1 3.46Å; G270-T273 PolarHBondContact O-N 2.98Å; T273-N275 VanDerWaalsContact C-N 3.32Å; T273-E276 PolarHBondContact O-N 2.67Å; T273-F277 HydrophobicContact CG2-CD2 4.29Å; T273-F277 HydrophobicContact CG2-CE2 3.92Å; T273-F277 WeakPolarHBondContact O-CD2 3.36Å; T273-F277 PolarHBondContact O-N 2.99Å; T273-P322 HydrophobicContact CG2-CB 4.13Å; T273-V324 HydrophobicContact CG2-CB 4.42Å; T273-V324 HydrophobicContact CG2-CG1 4.12Å; T273-V324 HydrophobicContact CG2-CG2 3.87Å |
| 274 | L | 88 | Confident | 87.7 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.2 | -38.9 | 174.1 | -178.9 | 66.2 | 0 | 0 | 0 | 111.6 | L227 T230 V231 L263 G270 S271 N272 F277 A278 I331 | L227-L274 HydrophobicContact CB-CD2 4.3Å; L227-L274 HydrophobicContact CD1-CD1 3.96Å; L227-L274 HydrophobicContact CD1-CD2 3.85Å; T230-L274 HydrophobicContact CG2-CD1 4.19Å; T230-L274 HydrophobicContact CG2-CD2 4.37Å; T230-L274 HydrophobicContact CG2-CG 4.1Å; V231-L274 HydrophobicContact CG2-CD1 4.2Å; L263-L274 HydrophobicContact CD1-CD2 3.91Å; L263-L274 HydrophobicContact CD1-CG 3.99Å; L263-L274 HydrophobicContact CD2-CD2 3.89Å; G270-L274 WeakPolarHBondContact O-CB 3.44Å; G270-L274 PolarHBondContact O-N 3.49Å; S271-L274 PolarHBondContact O-N 3.29Å; N272-L274 PolarHBondContact O-N 3.24Å; L274-F277 PolarHBondContact O-N 3.41Å; L274-A278 PolarHBondContact O-N 2.85Å; L274-I331 HydrophobicContact CB-CD1 4.45Å |
| 275 | N | 90.6 | Very high | 88.2 | Confident | 28 Ų | 28 | 38 Ų | 38 | 15% | 0.15 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.1 | -38.7 | 176.5 | -168.3 | 47.6 | 0 | 0 | 0 | 112.3 | S260 L263 S271 N272 T273 F277 A278 V279 | S260-N275 WeakPolarHBondContact CA-OD1 3.48Å; S260-N275 WeakPolarHBondContact CB-OD1 3.27Å; S260-N275 PolarHBondContact O-OD1 3.1Å; S260-N275 VanDerWaalsContact O-OD1 3.06Å; S260-N275 PolarHBondContact OG-OD1 3.39Å; L263-N275 HydrophobicContact CB-CB 4.1Å; L263-N275 HydrophobicContact CD1-CB 4.44Å; S271-N275 VanDerWaalsContact O-CB 3.27Å; S271-N275 WeakPolarHBondContact O-CB 3.41Å; S271-N275 PolarHBondContact O-N 3.47Å; N272-N275 WeakPolarHBondContact O-CB 3.46Å; N272-N275 PolarHBondContact O-N 2.68Å; T273-N275 VanDerWaalsContact C-N 3.32Å; N275-F277 VanDerWaalsContact C-N 3.34Å; N275-F277 PolarHBondContact O-N 2.74Å; N275-A278 PolarHBondContact O-N 2.77Å; N275-V279 WeakPolarHBondContact O-CB 3.46Å; N275-V279 VanDerWaalsContact O-CG2 3.31Å; N275-V279 WeakPolarHBondContact O-CG2 3.43Å; N275-V279 PolarHBondContact O-N 3.03Å |
| 276 | E | 91.1 | Very high | 88.6 | Confident | 85 Ų | 85 | 32 Ų | 32 | 40% | 0.397 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -58.6 | -44.4 | 173.3 | -68.8 | 170 | 168.8 | 0 | 0 | 111.4 | N272 T273 I280 P322 | N272-E276 WeakPolarHBondContact O-CG 3.38Å; N272-E276 PolarHBondContact O-N 3.08Å; T273-E276 PolarHBondContact O-N 2.67Å; E276-I280 WeakPolarHBondContact O-CG1 3.31Å; E276-I280 PolarHBondContact O-N 3.39Å; E276-I280 VanDerWaalsContact O-N 3.13Å; E276-P322 HydrophobicContact CB-CB 4.28Å; E276-P322 HydrophobicContact CB-CG 3.83Å |
| 277 | F | 92.4 | Very high | 89.2 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 1% | 0.013 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.7 | -45.7 | 172.6 | -73.6 | -64.7 | 0 | 0 | 0 | 112.5 | M234 T273 L274 N275 V279 I280 W281 P322 V324 L339 R340 C343 | M234-F277 HydrophobicContact CE-CB 3.84Å; T273-F277 HydrophobicContact CG2-CD2 4.29Å; T273-F277 HydrophobicContact CG2-CE2 3.92Å; T273-F277 WeakPolarHBondContact O-CD2 3.36Å; T273-F277 PolarHBondContact O-N 2.99Å; L274-F277 PolarHBondContact O-N 3.41Å; N275-F277 VanDerWaalsContact C-N 3.34Å; N275-F277 PolarHBondContact O-N 2.74Å; F277-V279 VanDerWaalsContact C-N 3.34Å; F277-V279 PolarHBondContact O-N 3.1Å; F277-I280 PolarHBondContact O-N 3.24Å; F277-W281 HydrophobicContact CD1-CZ3 4.06Å; F277-W281 VanDerWaalsContact O-CE3 3.29Å; F277-W281 PolarHBondContact O-N 2.86Å; F277-P322 HydrophobicContact CD1-CB 4.47Å; F277-P322 HydrophobicContact CD1-CG 3.82Å; F277-P322 HydrophobicContact CD2-CB 4.33Å; F277-P322 HydrophobicContact CD2-CG 4.34Å; F277-P322 HydrophobicContact CE1-CB 4.07Å; F277-P322 HydrophobicContact CE1-CG 3.76Å; F277-P322 HydrophobicContact CE2-CB 3.92Å; F277-P322 HydrophobicContact CE2-CG 4.29Å; F277-P322 HydrophobicContact CG-CG 4.12Å; F277-P322 HydrophobicContact CZ-CB 3.79Å; F277-P322 HydrophobicContact CZ-CG 4.01Å; F277-V324 HydrophobicContact CE2-CG2 3.83Å; F277-V324 HydrophobicContact CZ-CG2 3.78Å; F277-L339 HydrophobicContact CD1-CB 4.39Å; F277-L339 HydrophobicContact CD2-CB 4.47Å; F277-L339 HydrophobicContact CD2-CD1 4.43Å; F277-L339 HydrophobicContact CE1-CB 4.21Å; F277-L339 HydrophobicContact CE2-CB 4.28Å; F277-L339 HydrophobicContact CZ-CB 4.15Å; F277-R340 HydrophobicContact CZ-CB 4.42Å; F277-C343 HydrophobicContact CD1-CB 3.89Å; F277-C343 HydrophobicContact CE1-CB 3.69Å |
| 278 | A | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.8 | -44 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T230 M234 L256 L274 N275 I280 W281 L282 | T230-A278 HydrophobicContact CG2-CB 3.81Å; M234-A278 HydrophobicContact SD-CB 4.41Å; L256-A278 HydrophobicContact CD1-CB 4.1Å; L274-A278 PolarHBondContact O-N 2.85Å; N275-A278 PolarHBondContact O-N 2.77Å; A278-I280 PolarHBondContact O-N 3.28Å; A278-W281 PolarHBondContact O-N 3.25Å; A278-L282 WeakPolarHBondContact O-CB 3.31Å; A278-L282 PolarHBondContact O-N 2.89Å |
| 279 | V | 93.9 | Very high | 90.8 | Very high | 56 Ų | 56 | 20.3 Ų | 20.3 | 34% | 0.339 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -64.3 | -38.3 | 176.9 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | N275 F277 L282 N283 | N275-V279 WeakPolarHBondContact O-CB 3.46Å; N275-V279 VanDerWaalsContact O-CG2 3.31Å; N275-V279 WeakPolarHBondContact O-CG2 3.43Å; N275-V279 PolarHBondContact O-N 3.03Å; F277-V279 VanDerWaalsContact C-N 3.34Å; F277-V279 PolarHBondContact O-N 3.1Å; V279-L282 PolarHBondContact O-N 2.96Å; V279-N283 PolarHBondContact O-N 3.11Å; V279-N283 PolarHBondContact O-ND2 3.16Å |
| 280 | I | 94.7 | Very high | 91.5 | Very high | 6 Ų | 6 | 14.4 Ų | 14.4 | 3% | 0.031 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.8 | -46.6 | 175.1 | -73.3 | 168.5 | 0 | 0 | 0 | 111 | E276 F277 A278 F284 V316 A319 P322 I346 | E276-I280 WeakPolarHBondContact O-CG1 3.31Å; E276-I280 PolarHBondContact O-N 3.39Å; E276-I280 VanDerWaalsContact O-N 3.13Å; F277-I280 PolarHBondContact O-N 3.24Å; A278-I280 PolarHBondContact O-N 3.28Å; I280-F284 WeakPolarHBondContact O-CB 3.41Å; I280-F284 PolarHBondContact O-N 3.32Å; I280-V316 HydrophobicContact CG2-CG1 4.26Å; I280-A319 HydrophobicContact CD1-CB 4.21Å; I280-A319 HydrophobicContact CG1-CB 3.96Å; I280-P322 HydrophobicContact CD1-CG 4.1Å; I280-I346 HydrophobicContact CG2-CG2 3.69Å |
| 281 | W | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.1 | -48.5 | 173.9 | -100 | -117.7 | 0 | 0 | 0 | 111.3 | M234 L256 F277 A278 N283 F284 Y285 E342 C343 I346 | M234-W281 HydrophobicContact CB-CD2 4.49Å; M234-W281 HydrophobicContact CB-CG 4.12Å; M234-W281 HydrophobicContact CE-CD2 3.52Å; M234-W281 HydrophobicContact CE-CE3 3.65Å; M234-W281 HydrophobicContact CE-CG 4.05Å; M234-W281 HydrophobicContact CE-CH2 3.9Å; M234-W281 HydrophobicContact CE-CZ2 3.81Å; M234-W281 HydrophobicContact CE-CZ3 3.84Å; M234-W281 HydrophobicContact CG-CB 4.18Å; M234-W281 HydrophobicContact CG-CD2 4.38Å; M234-W281 HydrophobicContact CG-CG 3.91Å; M234-W281 VanDerWaalsContact O-CD1 3.28Å; M234-W281 PolarHBondContact O-NE1 3.17Å; M234-W281 VanDerWaalsContact O-NE1 3.15Å; L256-W281 HydrophobicContact CD2-CB 4.05Å; F277-W281 HydrophobicContact CD1-CZ3 4.06Å; F277-W281 VanDerWaalsContact O-CE3 3.29Å; F277-W281 PolarHBondContact O-N 2.86Å; A278-W281 PolarHBondContact O-N 3.25Å; W281-N283 VanDerWaalsContact C-N 3.34Å; W281-N283 PolarHBondContact O-N 2.83Å; W281-F284 PolarHBondContact O-N 2.94Å; W281-Y285 HydrophobicContact CB-CD2 4.3Å; W281-Y285 AromaticContact CD1-CD2 3.81Å; W281-Y285 AromaticContact CD1-CE2 3.51Å; W281-Y285 HydrophobicContact CG-CD2 4.19Å; W281-Y285 HydrophobicContact CG-CE2 4.08Å; W281-Y285 AromaticContact NE1-CE2 3.91Å; W281-Y285 WeakPolarHBondContact O-CB 3.39Å; W281-Y285 VanDerWaalsContact O-CD2 3.31Å; W281-Y285 WeakPolarHBondContact O-CD2 3.36Å; W281-Y285 PolarHBondContact O-N 3.18Å; W281-E342 HydrophobicContact CH2-CB 3.74Å; W281-E342 HydrophobicContact CZ2-CB 3.73Å; W281-C343 HydrophobicContact CH2-CB 4.19Å; W281-C343 HydrophobicContact CZ3-CB 3.8Å; W281-I346 HydrophobicContact CD2-CD1 3.66Å; W281-I346 HydrophobicContact CE3-CD1 3.78Å; W281-I346 HydrophobicContact CG-CD1 4.3Å; W281-I346 HydrophobicContact CH2-CD1 4.09Å; W281-I346 HydrophobicContact CZ2-CD1 3.94Å; W281-I346 HydrophobicContact CZ3-CD1 4Å |
| 282 | L | 95.6 | Very high | 92.6 | Very high | 5 Ų | 5 | 16.7 Ų | 16.7 | 3% | 0.026 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.3 | -39.9 | -175.3 | -170.7 | 73.6 | 0 | 0 | 0 | 112.4 | L253 L256 E257 A278 V279 G286 W379 | L253-L282 HydrophobicContact CB-CD1 4.4Å; L253-L282 HydrophobicContact CD2-CD1 4.08Å; L253-L282 WeakPolarHBondContact O-CD1 3.35Å; L256-L282 HydrophobicContact CB-CD1 4.12Å; L256-L282 HydrophobicContact CD2-CB 4.2Å; L256-L282 HydrophobicContact CD2-CD1 4.17Å; L256-L282 HydrophobicContact CG-CD1 4.19Å; E257-L282 HydrophobicContact CB-CD1 3.97Å; E257-L282 HydrophobicContact CB-CD2 3.75Å; E257-L282 HydrophobicContact CG-CD2 3.82Å; A278-L282 WeakPolarHBondContact O-CB 3.31Å; A278-L282 PolarHBondContact O-N 2.89Å; V279-L282 PolarHBondContact O-N 2.96Å; L282-G286 PolarHBondContact O-N 2.84Å; L282-W379 HydrophobicContact CD1-CD2 4.32Å; L282-W379 HydrophobicContact CD1-CH2 3.88Å; L282-W379 HydrophobicContact CD1-CZ2 3.58Å; L282-W379 HydrophobicContact CD1-CZ3 4.36Å; L282-W379 HydrophobicContact CD2-CD2 3.7Å; L282-W379 HydrophobicContact CD2-CE3 4.13Å; L282-W379 HydrophobicContact CD2-CG 3.86Å; L282-W379 HydrophobicContact CD2-CZ2 4.48Å; L282-W379 HydrophobicContact CG-CD2 3.85Å; L282-W379 VanDerWaalsContact CG-CE2 3.48Å; L282-W379 HydrophobicContact CG-CE3 4.47Å; L282-W379 HydrophobicContact CG-CG 4.18Å; L282-W379 HydrophobicContact CG-CH2 4.44Å; L282-W379 HydrophobicContact CG-CZ2 3.82Å; L282-W379 PolarHBondContact O-NE1 2.9Å |
| 283 | N | 96 | Very high | 92.7 | Very high | 14 Ų | 14 | 16.6 Ų | 16.6 | 8% | 0.075 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -74.1 | -43.7 | 174.8 | -73.6 | -85.5 | 0 | 0 | 0 | 111.9 | V279 W281 G286 G287 F312 R315 V316 | V279-N283 PolarHBondContact O-N 3.11Å; V279-N283 PolarHBondContact O-ND2 3.16Å; W281-N283 VanDerWaalsContact C-N 3.34Å; W281-N283 PolarHBondContact O-N 2.83Å; N283-G286 PolarHBondContact O-N 3.32Å; N283-G287 PolarHBondContact O-N 2.84Å; N283-G287 VanDerWaalsContact O-N 3.08Å; N283-F312 WeakPolarHBondContact O-CB 3.22Å; N283-R315 HydrophobicContact CB-CB 4.26Å; N283-R315 WeakPolarHBondContact OD1-CD 3.34Å; N283-V316 HydrophobicContact CB-CG2 3.62Å |
| 284 | F | 97 | Very high | 92.6 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 0% | 0.004 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.4 | -51.7 | 179.2 | -178.9 | -103.6 | 0 | 0 | 0 | 111.8 | I280 W281 G286 G287 V288 Y313 V316 I346 Q349 A350 P549 | I280-F284 WeakPolarHBondContact O-CB 3.41Å; I280-F284 PolarHBondContact O-N 3.32Å; W281-F284 PolarHBondContact O-N 2.94Å; F284-G286 VanDerWaalsContact C-N 3.3Å; F284-G286 PolarHBondContact O-N 3.28Å; F284-G287 WeakPolarHBondContact O-CA 3.34Å; F284-G287 PolarHBondContact O-N 3.16Å; F284-G287 VanDerWaalsContact O-N 3.1Å; F284-V288 HydrophobicContact CD1-CG2 4.05Å; F284-V288 HydrophobicContact CE1-CG2 3.81Å; F284-V288 HydrophobicContact CZ-CG2 4.24Å; F284-V288 WeakPolarHBondContact O-CG2 3.43Å; F284-V288 PolarHBondContact O-N 3.3Å; F284-Y313 AromaticContact CD2-CD1 3.93Å; F284-Y313 HydrophobicContact CD2-CD1 3.93Å; F284-Y313 AromaticContact CD2-CE1 3.81Å; F284-Y313 HydrophobicContact CD2-CE1 3.81Å; F284-Y313 HydrophobicContact CE2-CD1 4.27Å; F284-Y313 AromaticContact CE2-CE1 3.94Å; F284-Y313 HydrophobicContact CE2-CE1 3.94Å; F284-V316 HydrophobicContact CB-CG2 3.92Å; F284-I346 HydrophobicContact CB-CG2 3.56Å; F284-I346 HydrophobicContact CD1-CD1 4.37Å; F284-I346 HydrophobicContact CD1-CG1 3.92Å; F284-I346 HydrophobicContact CD1-CG2 4.13Å; F284-I346 HydrophobicContact CD2-CG2 3.78Å; F284-I346 HydrophobicContact CE1-CG1 4.1Å; F284-I346 HydrophobicContact CE2-CG2 4.49Å; F284-I346 HydrophobicContact CG-CB 4.36Å; F284-I346 HydrophobicContact CG-CG1 4.23Å; F284-I346 HydrophobicContact CG-CG2 3.55Å; F284-Q349 HydrophobicContact CE2-CB 3.94Å; F284-Q349 HydrophobicContact CZ-CB 4.23Å; F284-A350 HydrophobicContact CD2-CB 4.28Å; F284-P549 HydrophobicContact CE2-CB 4.39Å; F284-P549 HydrophobicContact CZ-CB 3.91Å |
| 285 | Y | 97.3 | Very high | 92 | Very high | 10 Ų | 10 | 18.9 Ų | 18.9 | 4% | 0.039 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -74.5 | -19.5 | -179.9 | -70.3 | -73.6 | 0 | 0 | 0 | 113.2 | I237 R238 M249 W281 V288 Y289 I346 | I237-Y285 HydrophobicContact CG2-CD1 3.75Å; I237-Y285 HydrophobicContact CG2-CD2 3.68Å; I237-Y285 HydrophobicContact CG2-CE1 4.39Å; I237-Y285 HydrophobicContact CG2-CE2 4.34Å; I237-Y285 HydrophobicContact CG2-CG 3.37Å; R238-Y285 HydrophobicContact CB-CE2 4.47Å; R238-Y285 WeakPolarHBondContact CG-OH 3.4Å; M249-Y285 HydrophobicContact CE-CD1 4.16Å; W281-Y285 HydrophobicContact CB-CD2 4.3Å; W281-Y285 AromaticContact CD1-CD2 3.81Å; W281-Y285 AromaticContact CD1-CE2 3.51Å; W281-Y285 HydrophobicContact CG-CD2 4.19Å; W281-Y285 HydrophobicContact CG-CE2 4.08Å; W281-Y285 AromaticContact NE1-CE2 3.91Å; W281-Y285 WeakPolarHBondContact O-CB 3.39Å; W281-Y285 VanDerWaalsContact O-CD2 3.31Å; W281-Y285 WeakPolarHBondContact O-CD2 3.36Å; W281-Y285 PolarHBondContact O-N 3.18Å; Y285-V288 HydrophobicContact CD1-CB 4.19Å; Y285-V288 HydrophobicContact CD1-CG1 4.39Å; Y285-V288 HydrophobicContact CD1-CG2 3.98Å; Y285-V288 HydrophobicContact CE1-CG2 4.44Å; Y285-V288 PolarHBondContact O-N 3.27Å; Y285-Y289 VanDerWaalsContact O-CB 3.23Å; Y285-Y289 WeakPolarHBondContact O-CB 3.48Å; Y285-Y289 PolarHBondContact O-N 3.47Å; Y285-I346 HydrophobicContact CE2-CD1 4.03Å |
| 286 | G | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.9 | -43.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L282 N283 F284 Y289 A290 | L282-G286 PolarHBondContact O-N 2.84Å; N283-G286 PolarHBondContact O-N 3.32Å; F284-G286 VanDerWaalsContact C-N 3.3Å; F284-G286 PolarHBondContact O-N 3.28Å; G286-Y289 PolarHBondContact O-N 2.98Å; G286-A290 WeakPolarHBondContact O-CB 3.48Å; G286-A290 PolarHBondContact O-N 2.97Å |
| 287 | G | 93.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.1 | -44.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N283 F284 Y289 A290 Q291 F312 Y313 | N283-G287 PolarHBondContact O-N 2.84Å; N283-G287 VanDerWaalsContact O-N 3.08Å; F284-G287 WeakPolarHBondContact O-CA 3.34Å; F284-G287 PolarHBondContact O-N 3.16Å; F284-G287 VanDerWaalsContact O-N 3.1Å; G287-Y289 VanDerWaalsContact C-N 3.32Å; G287-Y289 PolarHBondContact O-N 3.48Å; G287-A290 PolarHBondContact O-N 3.24Å; G287-Q291 WeakPolarHBondContact O-CG 3.47Å; G287-Q291 PolarHBondContact O-N 2.67Å; G287-F312 VanDerWaalsContact CA-CB 3.48Å; G287-Y313 VanDerWaalsContact C-OH 3.26Å; G287-Y313 PolarHBondContact O-OH 2.71Å |
| 288 | V | 95.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.9 | -44.3 | 173.8 | 178.1 | 0 | 0 | 0 | 0 | 111 | M249 F284 Y285 Q291 R292 Y313 P549 C551 L552 | M249-V288 HydrophobicContact CE-CB 4.13Å; M249-V288 HydrophobicContact CE-CG1 3.86Å; F284-V288 HydrophobicContact CD1-CG2 4.05Å; F284-V288 HydrophobicContact CE1-CG2 3.81Å; F284-V288 HydrophobicContact CZ-CG2 4.24Å; F284-V288 WeakPolarHBondContact O-CG2 3.43Å; F284-V288 PolarHBondContact O-N 3.3Å; Y285-V288 HydrophobicContact CD1-CB 4.19Å; Y285-V288 HydrophobicContact CD1-CG1 4.39Å; Y285-V288 HydrophobicContact CD1-CG2 3.98Å; Y285-V288 HydrophobicContact CE1-CG2 4.44Å; Y285-V288 PolarHBondContact O-N 3.27Å; V288-Q291 PolarHBondContact O-N 3.35Å; V288-R292 WeakPolarHBondContact O-CG 3.2Å; V288-R292 PolarHBondContact O-N 2.99Å; V288-Y313 PolarHBondContact N-OH 2.7Å; V288-P549 HydrophobicContact CG2-CG 4.01Å; V288-C551 VanDerWaalsContact CG2-SG 3.58Å; V288-L552 HydrophobicContact CG1-CD1 4Å; V288-L552 HydrophobicContact CG1-CD2 3.65Å; V288-L552 HydrophobicContact CG1-CG 3.82Å |
| 289 | Y | 94.4 | Very high | 85.6 | Confident | 10 Ų | 10 | 30 Ų | 30 | 4% | 0.039 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.2 | -46.6 | 177.9 | 175.2 | -104.1 | 0 | 0 | 0 | 111.8 | L246 M249 H250 L253 Y285 G286 G287 Q291 R292 R293 I383 T386 | L246-Y289 HydrophobicContact CB-CE2 4.03Å; L246-Y289 HydrophobicContact CD2-CD2 3.95Å; L246-Y289 HydrophobicContact CD2-CE2 3.74Å; L246-Y289 HydrophobicContact CG-CE2 4.49Å; L246-Y289 VanDerWaalsContact O-CE2 3.3Å; L246-Y289 WeakPolarHBondContact O-CE2 3.25Å; M249-Y289 HydrophobicContact CB-CD2 4.24Å; M249-Y289 HydrophobicContact CG-CD2 4.14Å; M249-Y289 HydrophobicContact SD-CD2 4.09Å; H250-Y289 HydrophobicContact CB-CE2 3.94Å; H250-Y289 AromaticContact ND1-CE1 3.72Å; H250-Y289 AromaticContact ND1-CZ 3.7Å; H250-Y289 PolarHBondContact ND1-OH 2.87Å; L253-Y289 HydrophobicContact CD1-CG 4.14Å; Y285-Y289 VanDerWaalsContact O-CB 3.23Å; Y285-Y289 WeakPolarHBondContact O-CB 3.48Å; Y285-Y289 PolarHBondContact O-N 3.47Å; G286-Y289 PolarHBondContact O-N 2.98Å; G287-Y289 VanDerWaalsContact C-N 3.32Å; G287-Y289 PolarHBondContact O-N 3.48Å; Y289-Q291 VanDerWaalsContact C-N 3.33Å; Y289-Q291 PolarHBondContact O-N 2.94Å; Y289-R292 PolarHBondContact O-N 3.01Å; Y289-R293 WeakPolarHBondContact O-CB 3.44Å; Y289-R293 PolarHBondContact O-N 3.21Å; Y289-I383 HydrophobicContact CD1-CD1 3.63Å; Y289-I383 HydrophobicContact CD1-CG1 4.5Å; Y289-I383 HydrophobicContact CE1-CD1 4.13Å; Y289-T386 HydrophobicContact CD1-CG2 4.34Å; Y289-T386 HydrophobicContact CE1-CG2 4.37Å; Y289-T386 VanDerWaalsContact CE1-OG1 3.29Å; Y289-T386 WeakPolarHBondContact CE1-OG1 3.38Å |
| 290 | A | 90.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.9 | -45.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G286 G287 R293 F294 L308 F312 T386 | G286-A290 WeakPolarHBondContact O-CB 3.48Å; G286-A290 PolarHBondContact O-N 2.97Å; G287-A290 PolarHBondContact O-N 3.24Å; A290-R293 PolarHBondContact O-N 2.83Å; A290-F294 WeakPolarHBondContact O-CD2 3.27Å; A290-F294 PolarHBondContact O-N 2.8Å; A290-F294 VanDerWaalsContact O-N 3.13Å; A290-L308 HydrophobicContact CB-CG 4.47Å; A290-F312 HydrophobicContact CB-CD2 4.36Å; A290-F312 HydrophobicContact CB-CE2 4.36Å; A290-T386 HydrophobicContact CB-CG2 3.97Å |
| 291 | Q | 90.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.8 | -46.7 | 175.2 | -70.4 | -168 | -30.7 | 0 | 0 | 112.5 | G287 V288 Y289 R293 F294 M295 A309 Y313 Y524 F547 L552 | G287-Q291 WeakPolarHBondContact O-CG 3.47Å; G287-Q291 PolarHBondContact O-N 2.67Å; V288-Q291 PolarHBondContact O-N 3.35Å; Y289-Q291 VanDerWaalsContact C-N 3.33Å; Y289-Q291 PolarHBondContact O-N 2.94Å; Q291-R293 VanDerWaalsContact C-N 3.3Å; Q291-R293 PolarHBondContact O-N 2.89Å; Q291-F294 PolarHBondContact O-N 2.9Å; Q291-M295 WeakPolarHBondContact O-CB 3.29Å; Q291-M295 WeakPolarHBondContact O-CG 3.47Å; Q291-M295 PolarHBondContact O-N 2.92Å; Q291-A309 HydrophobicContact CG-CB 3.74Å; Q291-Y313 PolarHBondContact OE1-OH 3.5Å; Q291-Y524 HydrophobicContact CG-CE1 4.34Å; Q291-Y524 HydrophobicContact CG-CE2 4.39Å; Q291-Y524 PolarHBondContact NE2-OH 3.15Å; Q291-F547 PolarHBondContact NE2-O 3.37Å; Q291-L552 HydrophobicContact CB-CD1 3.78Å |
| 292 | R | 89.4 | Confident | 79.5 | Confident | 53 Ų | 53 | 43.5 Ų | 43.5 | 20% | 0.2 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.9 | -38.6 | 176.2 | -70.5 | -175.4 | 75.6 | -158.1 | -0.5 | 112.4 | S241 Q242 S244 L246 V288 Y289 L552 | S241-R292 VanDerWaalsContact O-CD 3.27Å; S241-R292 WeakPolarHBondContact O-CD 3.4Å; S241-R292 PolarHBondContact O-NE 2.99Å; S241-R292 PolarHBondContact O-NH1 3.4Å; Q242-R292 PolarHBondContact O-NH2 2.73Å; Q242-R292 VanDerWaalsContact O-NH2 3.17Å; S244-R292 PolarHBondContact O-NH1 2.89Å; S244-R292 PolarHBondContact O-NH2 3.32Å; S244-R292 PolarHBondContact OG-NH1 2.85Å; L246-R292 HydrophobicContact CD2-CB 3.69Å; V288-R292 WeakPolarHBondContact O-CG 3.2Å; V288-R292 PolarHBondContact O-N 2.99Å; Y289-R292 PolarHBondContact O-N 3.01Å; R292-L552 HydrophobicContact CG-CD1 3.98Å; R292-L552 HydrophobicContact CG-CD2 3.38Å; R292-L552 HydrophobicContact CG-CG 4.36Å |
| 293 | R | 86.6 | Confident | 78.2 | Confident | 63 Ų | 63 | 46.1 Ų | 46.1 | 24% | 0.238 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.6 | -42.2 | -180 | 178.9 | 67.8 | -169.7 | 95.8 | 0.6 | 111.8 | Y289 A290 Q291 E297 | Y289-R293 WeakPolarHBondContact O-CB 3.44Å; Y289-R293 PolarHBondContact O-N 3.21Å; A290-R293 PolarHBondContact O-N 2.83Å; Q291-R293 VanDerWaalsContact C-N 3.3Å; Q291-R293 PolarHBondContact O-N 2.89Å; R293-E297 IonicContact CZ-OE1 3.49Å; R293-E297 IonicContact CZ-OE2 2.68Å; R293-E297 IonicContact NH1-OE1 3.17Å; R293-E297 PolarHBondContact NH1-OE1 3.31Å; R293-E297 IonicContact NH1-OE2 3.35Å; R293-E297 PolarHBondContact NH1-OE2 2.93Å; R293-E297 IonicContact NH2-OE1 2.65Å; R293-E297 IonicContact NH2-OE2 3.29Å |
| 294 | F | 83.2 | Confident | 77.2 | Confident | 22 Ų | 22 | 46.7 Ų | 46.7 | 10% | 0.096 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -100.7 | -4.6 | -174.4 | -61.5 | -60.3 | 0 | 0 | 0 | 115.2 | A290 Q291 N296 E297 C298 P305 L308 | A290-F294 WeakPolarHBondContact O-CD2 3.27Å; A290-F294 PolarHBondContact O-N 2.8Å; A290-F294 VanDerWaalsContact O-N 3.13Å; Q291-F294 PolarHBondContact O-N 2.9Å; F294-N296 PolarHBondContact O-N 3.2Å; F294-E297 PolarHBondContact O-N 3.49Å; F294-C298 PolarHBondContact O-N 2.94Å; F294-C298 PolarHBondContact O-SG 2.88Å; F294-P305 HydrophobicContact CB-CB 3.61Å; F294-P305 HydrophobicContact CB-CG 3.91Å; F294-P305 HydrophobicContact CD1-CG 4.11Å; F294-P305 HydrophobicContact CD2-CB 3.66Å; F294-P305 HydrophobicContact CD2-CG 4.07Å; F294-P305 HydrophobicContact CE2-CB 4.49Å; F294-P305 HydrophobicContact CG-CB 3.68Å; F294-P305 HydrophobicContact CG-CG 3.77Å; F294-L308 HydrophobicContact CE2-CD2 4.24Å |
| 295 | M | 74.7 | Confident | 76.3 | Confident | 40 Ų | 40 | 47 Ų | 47 | 20% | 0.197 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | -37.2 | -175.7 | -94.3 | -117.7 | -91.1 | 0 | 0 | 114.2 | Q291 T523 L548 | Q291-M295 WeakPolarHBondContact O-CB 3.29Å; Q291-M295 WeakPolarHBondContact O-CG 3.47Å; Q291-M295 PolarHBondContact O-N 2.92Å; M295-T523 PolarHBondContact O-OG1 2.97Å; M295-L548 HydrophobicContact CE-CD1 4.23Å; M295-L548 HydrophobicContact SD-CD1 3.94Å; M295-L548 HydrophobicContact SD-CD2 4.16Å |
| 296 | N | 65.2 | Low | 75.5 | Confident | 147 Ų | 147 | 46.7 Ų | 46.7 | 79% | 0.786 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | -6.5 | -179.3 | -61.4 | -13.3 | 0 | 0 | 0 | 114.2 | F294 | F294-N296 PolarHBondContact O-N 3.2Š|
| 297 | E | 63.9 | Low | 74.8 | Confident | 100 Ų | 100 | 47 Ų | 47 | 47% | 0.467 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | -4.8 | -172.1 | -69.5 | -178.9 | 179.3 | 0 | 0 | 113.5 | R293 F294 T299 | R293-E297 IonicContact CZ-OE1 3.49Å; R293-E297 IonicContact CZ-OE2 2.68Å; R293-E297 IonicContact NH1-OE1 3.17Å; R293-E297 PolarHBondContact NH1-OE1 3.31Å; R293-E297 IonicContact NH1-OE2 3.35Å; R293-E297 PolarHBondContact NH1-OE2 2.93Å; R293-E297 IonicContact NH2-OE1 2.65Å; R293-E297 IonicContact NH2-OE2 3.29Å; F294-E297 PolarHBondContact O-N 3.49Å; E297-T299 PolarHBondContact O-N 3.28Å |
| 298 | C | 52.8 | Low | 74.4 | Confident | 18 Ų | 18 | 47 Ų | 47 | 12% | 0.122 | 24% | 0.243 | C | C | . | . | trans | -66.8 | 94.6 | 175.8 | -71.6 | 0 | 0 | 0 | 0 | 112.6 | F294 | F294-C298 PolarHBondContact O-N 2.94Å; F294-C298 PolarHBondContact O-SG 2.88Å | ||
| 299 | T | 50.7 | Low | 74.1 | Confident | 86 Ų | 86 | 47 Ų | 47 | 53% | 0.528 | 24% | 0.243 | S | C | . | . | trans | -72.8 | 153 | 158.4 | 49.1 | 0 | 0 | 0 | 0 | 111 | E297 S301 T302 | E297-T299 PolarHBondContact O-N 3.28Å; T299-S301 PolarHBondContact O-N 2.81Å; T299-T302 PolarHBondContact O-N 2.77Å | ||
| 300 | E | 50.9 | Low | 73.9 | Confident | 196 Ų | 196 | 46.9 Ų | 46.9 | 92% | 0.916 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -15.8 | -173.8 | -62.2 | -174.1 | 156 | 0 | 0 | 115.4 | ||
| 301 | S | 47.3 | Very low | 73.8 | Confident | 102 Ų | 102 | 46.9 Ų | 46.9 | 71% | 0.713 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -2.3 | -172.3 | 61.7 | 0 | 0 | 0 | 0 | 116.3 | T299 | T299-S301 PolarHBondContact O-N 2.81Š|
| 302 | T | 60.3 | Low | 74 | Confident | 47 Ų | 47 | 46.9 Ų | 46.9 | 29% | 0.288 | 24% | 0.243 | S | C | . | . | trans | -132.7 | 100.9 | -173.3 | 56 | 0 | 0 | 0 | 0 | 113.8 | T299 F304 P305 | T299-T302 PolarHBondContact O-N 2.77Å; T302-F304 PolarHBondContact O-N 3.13Å; T302-P305 VanDerWaalsContact O-CD 3.26Å; T302-P305 WeakPolarHBondContact O-CD 3.48Å | ||
| 303 | D | 66.4 | Low | 74.1 | Confident | 59 Ų | 59 | 44.4 Ų | 44.4 | 32% | 0.316 | 23% | 0.234 | S | C | . | . | trans | -69.6 | -11.9 | 174.6 | -60.8 | -13.6 | 0 | 0 | 0 | 113.8 | P305 H306 F307 Q531 | D303-P305 VanDerWaalsContact C-CD 3.49Å; D303-H306 PolarHBondContact O-N 3.02Å; D303-H306 VanDerWaalsContact O-N 3.12Å; D303-F307 HydrophobicContact CB-CD2 3.81Å; D303-F307 HydrophobicContact CB-CE2 3.52Å; D303-F307 VanDerWaalsContact O-CD2 3.3Å; D303-F307 WeakPolarHBondContact O-CD2 3.09Å; D303-F307 PolarHBondContact O-N 3.3Å; D303-Q531 PolarHBondContact OD1-NE2 2.75Å | ||
| 304 | F | 77.1 | Confident | 74.3 | Confident | 27 Ų | 27 | 41.8 Ų | 41.8 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -52.9 | -43 | -171.2 | 176.4 | -106.2 | 0 | 0 | 0 | 115.7 | T302 H306 F307 L308 L385 L396 | T302-F304 PolarHBondContact O-N 3.13Å; F304-H306 VanDerWaalsContact C-N 3.27Å; F304-H306 PolarHBondContact O-N 3.46Å; F304-F307 PolarHBondContact O-N 2.78Å; F304-L308 HydrophobicContact CE1-CD2 4.13Å; F304-L308 HydrophobicContact CZ-CD2 4.13Å; F304-L308 PolarHBondContact O-N 3.44Å; F304-L385 HydrophobicContact CZ-CB 4.13Å; F304-L385 HydrophobicContact CZ-CD1 4.4Å; F304-L396 HydrophobicContact CB-CD2 3.94Å; F304-L396 HydrophobicContact CD1-CD2 3.76Å; F304-L396 HydrophobicContact CD2-CD2 3.32Å; F304-L396 HydrophobicContact CE1-CD2 4.02Å; F304-L396 HydrophobicContact CE2-CD2 3.59Å; F304-L396 HydrophobicContact CG-CD2 3.38Å; F304-L396 HydrophobicContact CZ-CD2 3.92Å |
| 305 | P | 78.2 | Confident | 74.7 | Confident | 6 Ų | 6 | 43.3 Ų | 43.3 | 4% | 0.039 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56 | -40.4 | 177.1 | -30.4 | 40.6 | 0 | 0 | 0 | 113.6 | F294 T302 D303 L308 A309 Y524 | F294-P305 HydrophobicContact CB-CB 3.61Å; F294-P305 HydrophobicContact CB-CG 3.91Å; F294-P305 HydrophobicContact CD1-CG 4.11Å; F294-P305 HydrophobicContact CD2-CB 3.66Å; F294-P305 HydrophobicContact CD2-CG 4.07Å; F294-P305 HydrophobicContact CE2-CB 4.49Å; F294-P305 HydrophobicContact CG-CB 3.68Å; F294-P305 HydrophobicContact CG-CG 3.77Å; T302-P305 VanDerWaalsContact O-CD 3.26Å; T302-P305 WeakPolarHBondContact O-CD 3.48Å; D303-P305 VanDerWaalsContact C-CD 3.49Å; P305-L308 PolarHBondContact O-N 2.85Å; P305-A309 PolarHBondContact O-N 3.03Å; P305-A309 VanDerWaalsContact O-N 3.11Å; P305-Y524 HydrophobicContact CB-CE2 4.17Å |
| 306 | H | 79.7 | Confident | 75.5 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.019 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.1 | -40.6 | 179.7 | -51.2 | 94.7 | 0 | 0 | 0 | 111.3 | D303 F304 F310 Y524 S527 L528 | D303-H306 PolarHBondContact O-N 3.02Å; D303-H306 VanDerWaalsContact O-N 3.12Å; F304-H306 VanDerWaalsContact C-N 3.27Å; F304-H306 PolarHBondContact O-N 3.46Å; H306-F310 VanDerWaalsContact O-CB 3.26Å; H306-F310 WeakPolarHBondContact O-CB 3.34Å; H306-F310 PolarHBondContact O-N 3.08Å; H306-Y524 AromaticContact CD2-CE1 3.71Å; H306-Y524 AromaticContact CD2-CE2 3.57Å; H306-Y524 AromaticContact CD2-CZ 3.31Å; H306-Y524 PolarHBondContact CD2-OH 3.27Å; H306-Y524 AromaticContact NE2-CD2 3.83Å; H306-Y524 AromaticContact NE2-CE2 3.75Å; H306-Y524 AromaticContact NE2-CZ 3.86Å; H306-Y524 PolarHBondContact NE2-O 2.83Å; H306-Y524 VanDerWaalsContact NE2-O 3.08Å; H306-S527 PolarHBondContact CE1-OG 3.43Å; H306-L528 HydrophobicContact CB-CD1 3.74Å; H306-L528 WeakPolarHBondContact CD2-CD1 3.26Å |
| 307 | F | 80.9 | Confident | 76.5 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 173.4 | -76.4 | -70.8 | 0 | 0 | 0 | 112.8 | D303 F304 F310 H311 L361 F401 | D303-F307 HydrophobicContact CB-CD2 3.81Å; D303-F307 HydrophobicContact CB-CE2 3.52Å; D303-F307 VanDerWaalsContact O-CD2 3.3Å; D303-F307 WeakPolarHBondContact O-CD2 3.09Å; D303-F307 PolarHBondContact O-N 3.3Å; F304-F307 PolarHBondContact O-N 2.78Å; F307-F310 WeakPolarHBondContact O-CB 3.13Å; F307-F310 PolarHBondContact O-N 3.31Å; F307-H311 PolarHBondContact O-CD2 3.28Å; F307-H311 VanDerWaalsContact O-CD2 3.27Å; F307-H311 PolarHBondContact O-N 2.92Å; F307-L361 HydrophobicContact CD1-CD1 3.81Å; F307-L361 HydrophobicContact CD1-CD2 3.78Å; F307-L361 HydrophobicContact CD1-CG 4.43Å; F307-L361 HydrophobicContact CE1-CD1 3.71Å; F307-L361 HydrophobicContact CE1-CD2 3.2Å; F307-L361 HydrophobicContact CE1-CG 3.98Å; F307-L361 HydrophobicContact CE2-CD2 4.23Å; F307-L361 HydrophobicContact CZ-CD2 3.46Å; F307-L361 VanDerWaalsContact CZ-CD2 3.46Å; F307-F401 HydrophobicContact CB-CD1 3.59Å; F307-F401 HydrophobicContact CB-CE1 3.36Å; F307-F401 HydrophobicContact CB-CZ 4.22Å; F307-F401 HydrophobicContact CD1-CB 3.8Å; F307-F401 AromaticContact CD1-CD1 3.18Å; F307-F401 HydrophobicContact CD1-CD1 3.18Å; F307-F401 HydrophobicContact CD1-CD2 4.07Å; F307-F401 AromaticContact CD1-CE1 3.72Å; F307-F401 HydrophobicContact CD1-CE1 3.72Å; F307-F401 AromaticContact CD1-CG 3.39Å; F307-F401 HydrophobicContact CD1-CG 3.39Å; F307-F401 HydrophobicContact CD1-CZ 4.35Å; F307-F401 AromaticContact CD2-CD1 3.94Å; F307-F401 HydrophobicContact CD2-CD1 3.94Å; F307-F401 HydrophobicContact CD2-CD2 4.28Å; F307-F401 AromaticContact CD2-CE1 3.59Å; F307-F401 HydrophobicContact CD2-CE1 3.59Å; F307-F401 AromaticContact CD2-CE2 3.95Å; F307-F401 HydrophobicContact CD2-CE2 3.95Å; F307-F401 HydrophobicContact CD2-CG 4.28Å; F307-F401 AromaticContact CD2-CZ 3.59Å; F307-F401 HydrophobicContact CD2-CZ 3.59Å; F307-F401 HydrophobicContact CE1-CB 3.53Å; F307-F401 AromaticContact CE1-CD1 3.66Å; F307-F401 HydrophobicContact CE1-CD1 3.66Å; F307-F401 AromaticContact CE1-CD2 3.66Å; F307-F401 HydrophobicContact CE1-CD2 3.66Å; F307-F401 HydrophobicContact CE1-CE1 4.29Å; F307-F401 HydrophobicContact CE1-CE2 4.29Å; F307-F401 AromaticContact CE1-CG 3.3Å; F307-F401 HydrophobicContact CE1-CG 3.3Å; F307-F401 HydrophobicContact CE2-CD1 4.36Å; F307-F401 AromaticContact CE2-CD2 3.92Å; F307-F401 HydrophobicContact CE2-CD2 3.92Å; F307-F401 HydrophobicContact CE2-CE1 4.2Å; F307-F401 AromaticContact CE2-CE2 3.75Å; F307-F401 HydrophobicContact CE2-CE2 3.75Å; F307-F401 HydrophobicContact CE2-CG 4.23Å; F307-F401 AromaticContact CE2-CZ 3.9Å; F307-F401 HydrophobicContact CE2-CZ 3.9Å; F307-F401 AromaticContact CG-CD1 3.33Å; F307-F401 HydrophobicContact CG-CD1 3.33Å; F307-F401 HydrophobicContact CG-CD2 4.34Å; F307-F401 AromaticContact CG-CE1 3.3Å; F307-F401 HydrophobicContact CG-CE1 3.3Å; F307-F401 HydrophobicContact CG-CE2 4.33Å; F307-F401 AromaticContact CG-CG 3.88Å; F307-F401 HydrophobicContact CG-CG 3.88Å; F307-F401 AromaticContact CG-CZ 3.84Å; F307-F401 HydrophobicContact CG-CZ 3.84Å; F307-F401 HydrophobicContact CZ-CB 4.31Å; F307-F401 HydrophobicContact CZ-CD1 4.23Å; F307-F401 AromaticContact CZ-CD2 3.6Å; F307-F401 HydrophobicContact CZ-CD2 3.6Å; F307-F401 AromaticContact CZ-CE2 3.93Å; F307-F401 HydrophobicContact CZ-CE2 3.93Å; F307-F401 AromaticContact CZ-CG 3.77Å; F307-F401 HydrophobicContact CZ-CG 3.77Å; F307-F401 HydrophobicContact CZ-CZ 4.38Å |
| 308 | L | 86.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.3 | -44.7 | -179.3 | -173.9 | 56.2 | 0 | 0 | 0 | 111.3 | A290 F294 F304 P305 H311 F312 L382 L385 T386 | A290-L308 HydrophobicContact CB-CG 4.47Å; F294-L308 HydrophobicContact CE2-CD2 4.24Å; F304-L308 HydrophobicContact CE1-CD2 4.13Å; F304-L308 HydrophobicContact CZ-CD2 4.13Å; F304-L308 PolarHBondContact O-N 3.44Å; P305-L308 PolarHBondContact O-N 2.85Å; L308-H311 PolarHBondContact O-N 2.84Å; L308-F312 HydrophobicContact CD1-CD2 4.41Å; L308-F312 HydrophobicContact CD1-CE2 4Å; L308-F312 HydrophobicContact CG-CD2 4.34Å; L308-F312 HydrophobicContact CG-CE2 4.05Å; L308-F312 VanDerWaalsContact O-CD2 3.27Å; L308-F312 WeakPolarHBondContact O-CD2 3.38Å; L308-F312 PolarHBondContact O-N 2.89Å; L308-L382 HydrophobicContact CD1-CD2 3.94Å; L308-L385 HydrophobicContact CD1-CB 4.4Å; L308-L385 HydrophobicContact CD1-CD1 4.31Å; L308-L385 HydrophobicContact CD2-CB 4.04Å; L308-T386 HydrophobicContact CD2-CG2 3.6Å |
| 309 | A | 88.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.7 | -43.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q291 P305 H311 F312 Y313 | Q291-A309 HydrophobicContact CG-CB 3.74Å; P305-A309 PolarHBondContact O-N 3.03Å; P305-A309 VanDerWaalsContact O-N 3.11Å; A309-H311 PolarHBondContact O-N 2.54Å; A309-F312 PolarHBondContact O-N 3.23Å; A309-Y313 HydrophobicContact CB-CE2 4.16Å; A309-Y313 WeakPolarHBondContact O-CD2 3.3Å; A309-Y313 PolarHBondContact O-N 2.76Å |
| 310 | F | 88.5 | Confident | 80.4 | Confident | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.8 | -48.3 | 175 | 168.3 | -99.5 | 0 | 0 | 0 | 112.2 | H306 F307 F312 Y313 Q314 V354 F357 L361 | H306-F310 VanDerWaalsContact O-CB 3.26Å; H306-F310 WeakPolarHBondContact O-CB 3.34Å; H306-F310 PolarHBondContact O-N 3.08Å; F307-F310 WeakPolarHBondContact O-CB 3.13Å; F307-F310 PolarHBondContact O-N 3.31Å; F310-F312 PolarHBondContact O-N 3.09Å; F310-Y313 PolarHBondContact O-N 3.32Å; F310-Q314 VanDerWaalsContact O-CB 3.27Å; F310-Q314 WeakPolarHBondContact O-CB 3.38Å; F310-Q314 PolarHBondContact O-N 3.08Å; F310-V354 HydrophobicContact CD2-CG1 4.48Å; F310-V354 HydrophobicContact CD2-CG2 4.46Å; F310-V354 HydrophobicContact CE2-CB 4.36Å; F310-V354 HydrophobicContact CE2-CG1 3.81Å; F310-F357 HydrophobicContact CB-CB 4.22Å; F310-F357 HydrophobicContact CB-CD2 4.24Å; F310-F357 HydrophobicContact CB-CG 4.36Å; F310-F357 HydrophobicContact CD2-CB 3.6Å; F310-F357 HydrophobicContact CD2-CD2 4.44Å; F310-F357 HydrophobicContact CD2-CG 4.43Å; F310-F357 HydrophobicContact CE2-CB 4.38Å; F310-F357 HydrophobicContact CG-CB 4.29Å; F310-L361 HydrophobicContact CD1-CD1 4.1Å; F310-L361 HydrophobicContact CD2-CD1 4.41Å; F310-L361 HydrophobicContact CE1-CD1 4.24Å; F310-L361 HydrophobicContact CE2-CD1 4.5Å; F310-L361 HydrophobicContact CG-CD1 4.18Å; F310-L361 HydrophobicContact CZ-CD1 4.42Å |
| 311 | H | 88.9 | Confident | 81.8 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.8 | -36.9 | -179.7 | -83.8 | -71.8 | 0 | 0 | 0 | 113 | F307 L308 A309 Q314 R315 L374 N375 | F307-H311 PolarHBondContact O-CD2 3.28Å; F307-H311 VanDerWaalsContact O-CD2 3.27Å; F307-H311 PolarHBondContact O-N 2.92Å; L308-H311 PolarHBondContact O-N 2.84Å; A309-H311 PolarHBondContact O-N 2.54Å; H311-Q314 PolarHBondContact ND1-OE1 3.5Å; H311-Q314 PolarHBondContact O-N 3.33Å; H311-R315 WeakPolarHBondContact O-CG 3.42Å; H311-R315 PolarHBondContact O-N 2.96Å; H311-R315 VanDerWaalsContact O-N 3.12Å; H311-L374 WeakPolarHBondContact CD2-CD1 3.43Å; H311-N375 PolarHBondContact ND1-OD1 2.93Å |
| 312 | F | 93.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.8 | -47.6 | 171.7 | -83.1 | -60.8 | 0 | 0 | 0 | 112.1 | N283 G287 A290 L308 A309 F310 R315 V316 W379 L382 I383 | N283-F312 WeakPolarHBondContact O-CB 3.22Å; G287-F312 VanDerWaalsContact CA-CB 3.48Å; A290-F312 HydrophobicContact CB-CD2 4.36Å; A290-F312 HydrophobicContact CB-CE2 4.36Å; L308-F312 HydrophobicContact CD1-CD2 4.41Å; L308-F312 HydrophobicContact CD1-CE2 4Å; L308-F312 HydrophobicContact CG-CD2 4.34Å; L308-F312 HydrophobicContact CG-CE2 4.05Å; L308-F312 VanDerWaalsContact O-CD2 3.27Å; L308-F312 WeakPolarHBondContact O-CD2 3.38Å; L308-F312 PolarHBondContact O-N 2.89Å; A309-F312 PolarHBondContact O-N 3.23Å; F310-F312 PolarHBondContact O-N 3.09Å; F312-R315 PolarHBondContact O-N 3.37Å; F312-V316 PolarHBondContact O-N 2.85Å; F312-W379 AromaticContact CE1-CD1 3.72Å; F312-W379 AromaticContact CE1-NE1 3.53Å; F312-L382 HydrophobicContact CD1-CD1 4.3Å; F312-L382 HydrophobicContact CE1-CB 3.9Å; F312-L382 HydrophobicContact CE1-CD1 4.06Å; F312-L382 HydrophobicContact CE2-CB 4.38Å; F312-L382 HydrophobicContact CZ-CB 3.64Å; F312-L382 HydrophobicContact CZ-CD1 4.42Å; F312-I383 HydrophobicContact CZ-CD1 4.05Å |
| 313 | Y | 92.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70 | -31.3 | 177.2 | -60 | -47.4 | 0 | 0 | 0 | 113.1 | F284 G287 V288 Q291 A309 F310 R315 V316 S317 A350 L353 F357 | F284-Y313 AromaticContact CD2-CD1 3.93Å; F284-Y313 HydrophobicContact CD2-CD1 3.93Å; F284-Y313 AromaticContact CD2-CE1 3.81Å; F284-Y313 HydrophobicContact CD2-CE1 3.81Å; F284-Y313 HydrophobicContact CE2-CD1 4.27Å; F284-Y313 AromaticContact CE2-CE1 3.94Å; F284-Y313 HydrophobicContact CE2-CE1 3.94Å; G287-Y313 VanDerWaalsContact C-OH 3.26Å; G287-Y313 PolarHBondContact O-OH 2.71Å; V288-Y313 PolarHBondContact N-OH 2.7Å; Q291-Y313 PolarHBondContact OE1-OH 3.5Å; A309-Y313 HydrophobicContact CB-CE2 4.16Å; A309-Y313 WeakPolarHBondContact O-CD2 3.3Å; A309-Y313 PolarHBondContact O-N 2.76Å; F310-Y313 PolarHBondContact O-N 3.32Å; Y313-R315 VanDerWaalsContact C-N 3.33Å; Y313-R315 PolarHBondContact O-N 2.76Å; Y313-V316 PolarHBondContact O-N 2.89Å; Y313-S317 PolarHBondContact O-N 3.31Å; Y313-A350 HydrophobicContact CD1-CB 4.21Å; Y313-L353 HydrophobicContact CD2-CB 4.1Å; Y313-L353 HydrophobicContact CD2-CD1 4.07Å; Y313-L353 HydrophobicContact CE1-CD1 4.29Å; Y313-L353 HydrophobicContact CE2-CD1 3.78Å; Y313-L353 HydrophobicContact CG-CB 4.5Å; Y313-L353 HydrophobicContact CG-CD1 4.45Å; Y313-F357 AromaticContact CD2-CE2 3.98Å; Y313-F357 HydrophobicContact CD2-CE2 3.98Å; Y313-F357 HydrophobicContact CE2-CE2 4.15Å |
| 314 | Q | 90.3 | Very high | 83.5 | Confident | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.2 | -40 | 175.8 | -170.1 | -177.4 | 37.6 | 0 | 0 | 111.1 | F310 H311 V316 S317 N318 V354 N375 | F310-Q314 VanDerWaalsContact O-CB 3.27Å; F310-Q314 WeakPolarHBondContact O-CB 3.38Å; F310-Q314 PolarHBondContact O-N 3.08Å; H311-Q314 PolarHBondContact ND1-OE1 3.5Å; H311-Q314 PolarHBondContact O-N 3.33Å; Q314-V316 VanDerWaalsContact C-N 3.32Å; Q314-V316 PolarHBondContact O-N 3.38Å; Q314-S317 PolarHBondContact O-N 3.2Å; Q314-N318 WeakPolarHBondContact O-CB 3.49Å; Q314-N318 VanDerWaalsContact O-CG 3.31Å; Q314-N318 PolarHBondContact O-N 3.44Å; Q314-N318 PolarHBondContact O-ND2 2.98Å; Q314-V354 HydrophobicContact CB-CG2 4.21Å; Q314-V354 VanDerWaalsContact N-CG2 3.34Å; Q314-N375 PolarHBondContact OE1-ND2 3.42Å; Q314-N375 PolarHBondContact OE1-OD1 2.96Å |
| 315 | R | 91.8 | Very high | 82.6 | Confident | 55 Ų | 55 | 33.6 Ų | 33.6 | 21% | 0.208 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62 | -38.3 | 173.9 | -71.8 | 175.1 | -174.7 | -140.5 | -1.4 | 112.5 | N283 H311 F312 Y313 A319 L374 L377 | N283-R315 HydrophobicContact CB-CB 4.26Å; N283-R315 WeakPolarHBondContact OD1-CD 3.34Å; H311-R315 WeakPolarHBondContact O-CG 3.42Å; H311-R315 PolarHBondContact O-N 2.96Å; H311-R315 VanDerWaalsContact O-N 3.12Å; F312-R315 PolarHBondContact O-N 3.37Å; Y313-R315 VanDerWaalsContact C-N 3.33Å; Y313-R315 PolarHBondContact O-N 2.76Å; R315-A319 PolarHBondContact O-N 3.3Å; R315-L374 PolarHBondContact NH2-O 3.2Å; R315-L377 VanDerWaalsContact CZ-O 3.25Å; R315-L377 PolarHBondContact NH1-O 3.01Å; R315-L377 PolarHBondContact NH2-O 2.93Å |
| 316 | V | 91.9 | Very high | 81.4 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.7 | -46.1 | 174.8 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | I280 N283 F284 F312 Y313 Q314 N318 A319 I346 A350 | I280-V316 HydrophobicContact CG2-CG1 4.26Å; N283-V316 HydrophobicContact CB-CG2 3.62Å; F284-V316 HydrophobicContact CB-CG2 3.92Å; F312-V316 PolarHBondContact O-N 2.85Å; Y313-V316 PolarHBondContact O-N 2.89Å; Q314-V316 VanDerWaalsContact C-N 3.32Å; Q314-V316 PolarHBondContact O-N 3.38Å; V316-N318 VanDerWaalsContact C-N 3.26Å; V316-N318 PolarHBondContact O-N 3.47Å; V316-A319 VanDerWaalsContact O-CB 3.3Å; V316-A319 WeakPolarHBondContact O-CB 3.47Å; V316-A319 PolarHBondContact O-N 3.06Å; V316-I346 HydrophobicContact CG1-CG2 3.9Å; V316-A350 HydrophobicContact CB-CB 3.68Å; V316-A350 HydrophobicContact CG1-CB 3.51Å |
| 317 | S | 86 | Confident | 80.1 | Confident | 36 Ų | 36 | 42.4 Ų | 42.4 | 25% | 0.252 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.8 | -28.1 | -179.4 | -172.4 | 0 | 0 | 0 | 0 | 113.2 | Y313 Q314 T351 | Y313-S317 PolarHBondContact O-N 3.31Å; Q314-S317 PolarHBondContact O-N 3.2Å; S317-T351 WeakPolarHBondContact CB-OG1 3.44Å; S317-T351 WeakPolarHBondContact OG-CB 3.34Å; S317-T351 WeakPolarHBondContact OG-CG2 3.31Å; S317-T351 PolarHBondContact OG-OG1 3.08Å |
| 318 | N | 85.6 | Confident | 78.7 | Confident | 120 Ų | 120 | 42.9 Ų | 42.9 | 64% | 0.642 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -8.1 | 174.7 | -70.8 | -22.7 | 0 | 0 | 0 | 113.2 | Q314 V316 | Q314-N318 WeakPolarHBondContact O-CB 3.49Å; Q314-N318 VanDerWaalsContact O-CG 3.31Å; Q314-N318 PolarHBondContact O-N 3.44Å; Q314-N318 PolarHBondContact O-ND2 2.98Å; V316-N318 VanDerWaalsContact C-N 3.26Å; V316-N318 PolarHBondContact O-N 3.47Å |
| 319 | A | 85.4 | Confident | 77.4 | Confident | 36 Ų | 36 | 45.3 Ų | 45.3 | 30% | 0.298 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -71.2 | 138.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111 | I280 R315 V316 H321 | I280-A319 HydrophobicContact CD1-CB 4.21Å; I280-A319 HydrophobicContact CG1-CB 3.96Å; R315-A319 PolarHBondContact O-N 3.3Å; V316-A319 VanDerWaalsContact O-CB 3.3Å; V316-A319 WeakPolarHBondContact O-CB 3.47Å; V316-A319 PolarHBondContact O-N 3.06Å; A319-H321 PolarHBondContact O-N 3.45Å |
| 320 | R | 78.8 | Confident | 76.4 | Confident | 190 Ų | 190 | 48.8 Ų | 48.8 | 72% | 0.717 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 130.3 | 169.1 | -178.7 | -179 | 176.5 | 166.5 | 0.3 | 108.9 | D323 | R320-D323 IonicContact CZ-OD2 2.66Å; R320-D323 IonicContact NE-OD2 3.61Å; R320-D323 PolarHBondContact NE-OD2 2.9Å; R320-D323 IonicContact NH2-OD2 3.98Å; R320-D323 PolarHBondContact NH2-OD2 2.9Å |
| 321 | H | 80.1 | Confident | 75.9 | Confident | 62 Ų | 62 | 49 Ų | 49 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 130.1 | 169.7 | -81 | -72.9 | 0 | 0 | 0 | 110.8 | A319 D323 S417 | A319-H321 PolarHBondContact O-N 3.45Å; H321-D323 PolarHBondContact O-N 3.4Å; H321-S417 PolarHBondContact CE1-OG 3.32Å; H321-S417 WeakPolarHBondContact NE2-CB 3.42Å; H321-S417 PolarHBondContact NE2-OG 3.22Å |
| 322 | P | 78.9 | Confident | 75.5 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.019 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 120.1 | -178.5 | -25.9 | 35.9 | 0 | 0 | 0 | 112.6 | T273 E276 F277 I280 V324 | T273-P322 HydrophobicContact CG2-CB 4.13Å; E276-P322 HydrophobicContact CB-CB 4.28Å; E276-P322 HydrophobicContact CB-CG 3.83Å; F277-P322 HydrophobicContact CD1-CB 4.47Å; F277-P322 HydrophobicContact CD1-CG 3.82Å; F277-P322 HydrophobicContact CD2-CB 4.33Å; F277-P322 HydrophobicContact CD2-CG 4.34Å; F277-P322 HydrophobicContact CE1-CB 4.07Å; F277-P322 HydrophobicContact CE1-CG 3.76Å; F277-P322 HydrophobicContact CE2-CB 3.92Å; F277-P322 HydrophobicContact CE2-CG 4.29Å; F277-P322 HydrophobicContact CG-CG 4.12Å; F277-P322 HydrophobicContact CZ-CB 3.79Å; F277-P322 HydrophobicContact CZ-CG 4.01Å; I280-P322 HydrophobicContact CD1-CG 4.1Å; P322-V324 HydrophobicContact CB-CG2 4.42Å; P322-V324 WeakPolarHBondContact O-CG2 3.35Å; P322-V324 PolarHBondContact O-N 3.47Å; P322-V324 VanDerWaalsContact O-N 3.13Å |
| 323 | D | 69.1 | Low | 75 | Confident | 84 Ų | 84 | 53.8 Ų | 53.8 | 45% | 0.449 | 32% | 0.319 | S | S | . | . | trans | -85.1 | 84.3 | -179.9 | -85.5 | -43.1 | 0 | 0 | 0 | 110.8 | R320 H321 T325 | R320-D323 IonicContact CZ-OD2 2.66Å; R320-D323 IonicContact NE-OD2 3.61Å; R320-D323 PolarHBondContact NE-OD2 2.9Å; R320-D323 IonicContact NH2-OD2 3.98Å; R320-D323 PolarHBondContact NH2-OD2 2.9Å; H321-D323 PolarHBondContact O-N 3.4Å; D323-T325 VanDerWaalsContact C-N 3.32Å; D323-T325 PolarHBondContact O-N 3.08Å | ||
| 324 | V | 61.4 | Low | 74.5 | Confident | 25 Ų | 25 | 56.5 Ų | 56.5 | 15% | 0.152 | 34% | 0.338 | C | S | . | . | trans | -78.4 | 76.4 | -174.1 | -155.1 | 0 | 0 | 0 | 0 | 112.4 | T273 F277 P322 R336 | T273-V324 HydrophobicContact CG2-CB 4.42Å; T273-V324 HydrophobicContact CG2-CG1 4.12Å; T273-V324 HydrophobicContact CG2-CG2 3.87Å; F277-V324 HydrophobicContact CE2-CG2 3.83Å; F277-V324 HydrophobicContact CZ-CG2 3.78Å; P322-V324 HydrophobicContact CB-CG2 4.42Å; P322-V324 WeakPolarHBondContact O-CG2 3.35Å; P322-V324 PolarHBondContact O-N 3.47Å; P322-V324 VanDerWaalsContact O-N 3.13Å; V324-R336 HydrophobicContact CG1-CB 4.32Å; V324-R336 HydrophobicContact CG1-CG 3.72Å | ||
| 325 | T | 57.5 | Low | 74.3 | Confident | 59 Ų | 59 | 56.1 Ų | 56.1 | 36% | 0.362 | 34% | 0.337 | S | S | . | . | trans | -61.5 | 135.7 | 176.5 | 60 | 0 | 0 | 0 | 0 | 111.6 | K269 D323 G327 | K269-T325 VanDerWaalsContact CE-OG1 3.27Å; K269-T325 WeakPolarHBondContact CE-OG1 3.49Å; K269-T325 PolarHBondContact NZ-OG1 3.25Å; D323-T325 VanDerWaalsContact C-N 3.32Å; D323-T325 PolarHBondContact O-N 3.08Å; T325-G327 PolarHBondContact O-N 3.45Å | ||
| 326 | P | 53.7 | Low | 73.9 | Confident | 123 Ų | 123 | 55.8 Ų | 55.8 | 80% | 0.799 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 106.3 | 173.4 | 26.8 | -33.2 | 0 | 0 | 0 | 110.2 | ||
| 327 | G | 53.1 | Low | 73.5 | Confident | 72 Ų | 72 | 60.3 Ų | 60.3 | 74% | 0.742 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 156.4 | -9.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | T325 | T325-G327 PolarHBondContact O-N 3.45Š|
| 328 | S | 51 | Low | 73.6 | Confident | 17 Ų | 17 | 59.3 Ų | 59.3 | 12% | 0.119 | 35% | 0.347 | C | S | . | . | trans | -81.2 | 150.7 | 169 | 41.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 329 | S | 58.8 | Low | 73.8 | Confident | 52 Ų | 52 | 53.7 Ų | 53.7 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -65 | 158.9 | -174.7 | 42.2 | 0 | 0 | 0 | 0 | 114.7 | E223 I331 | E223-S329 PolarHBondContact OE1-OG 3Å; E223-S329 WeakPolarHBondContact OE2-CB 3.24Å; E223-S329 PolarHBondContact OE2-OG 2.9Å; S329-I331 PolarHBondContact O-N 3.16Å |
| 330 | N | 67 | Low | 73.8 | Confident | 72 Ų | 72 | 56.3 Ų | 56.3 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 59.7 | -22.8 | 162.4 | -65.5 | -26.1 | 0 | 0 | 0 | 120.3 | N190 E223 S224 L227 | N190-N330 PolarHBondContact ND2-O 3.34Å; N190-N330 VanDerWaalsContact ND2-O 3.09Å; N190-N330 PolarHBondContact OD1-O 3.48Å; E223-N330 PolarHBondContact OE2-ND2 2.94Å; S224-N330 PolarHBondContact OG-ND2 2.75Å; L227-N330 HydrophobicContact CD2-CB 4.07Å; L227-N330 WeakPolarHBondContact CD2-O 3.47Å |
| 331 | I | 77.4 | Confident | 74.1 | Confident | 12 Ų | 12 | 49.4 Ų | 49.4 | 6% | 0.062 | 29% | 0.293 | C | S | . | . | trans | -93.1 | 116.2 | 179.4 | -39.1 | -176.1 | 0 | 0 | 0 | 109.8 | L227 L274 S329 L335 R336 | L227-I331 HydrophobicContact CD1-CD1 4.17Å; L227-I331 HydrophobicContact CD1-CG1 3.91Å; L227-I331 HydrophobicContact CD2-CG1 4.17Å; L274-I331 HydrophobicContact CB-CD1 4.45Å; S329-I331 PolarHBondContact O-N 3.16Å; I331-L335 HydrophobicContact CG2-CB 4.09Å; I331-L335 HydrophobicContact CG2-CD2 3.64Å; I331-L335 HydrophobicContact CG2-CG 3.71Å; I331-R336 HydrophobicContact CB-CG 3.98Å; I331-R336 HydrophobicContact CG2-CG 3.5Å; I331-R336 VanDerWaalsContact CG2-CG 3.5Å; I331-R336 VanDerWaalsContact O-CZ 3.28Å; I331-R336 PolarHBondContact O-NE 3.46Å | ||
| 332 | S | 82.3 | Confident | 74.5 | Confident | 31 Ų | 31 | 47.1 Ų | 47.1 | 22% | 0.217 | 28% | 0.283 | C | S | . | . | trans | -64.3 | 167.7 | -179 | 84.5 | 0 | 0 | 0 | 0 | 113.1 | N190 S334 L335 R336 | N190-S332 VanDerWaalsContact O-CB 3.29Å; N190-S332 WeakPolarHBondContact O-CB 3.24Å; N190-S332 PolarHBondContact O-OG 3.32Å; N190-S332 WeakPolarHBondContact OD1-CB 3.25Å; N190-S332 PolarHBondContact OD1-N 3.27Å; S332-S334 PolarHBondContact OG-N 2.87Å; S332-L335 WeakPolarHBondContact OG-CB 3.39Å; S332-L335 PolarHBondContact OG-N 3.18Å; S332-R336 WeakPolarHBondContact O-CB 3.2Å; S332-R336 WeakPolarHBondContact O-CG 3.07Å; S332-R336 PolarHBondContact O-N 2.72Å; S332-R336 VanDerWaalsContact O-N 3.1Å; S332-R336 PolarHBondContact O-NE 3.27Å | ||
| 333 | A | 81.5 | Confident | 75.1 | Confident | 71 Ų | 71 | 47 Ų | 47 | 59% | 0.587 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62 | -41.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R336 H337 | A333-R336 PolarHBondContact O-N 3.35Å; A333-H337 WeakPolarHBondContact O-CB 3.36Å; A333-H337 PolarHBondContact O-N 3Å |
| 334 | S | 83.1 | Confident | 75.9 | Confident | 57 Ų | 57 | 43.1 Ų | 43.1 | 40% | 0.399 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.7 | -50.4 | 179.6 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | A191 S332 R336 H337 H338 | A191-S334 PolarHBondContact O-OG 3.02Å; S332-S334 PolarHBondContact OG-N 2.87Å; S334-R336 PolarHBondContact O-N 3.43Å; S334-H337 PolarHBondContact O-N 3.11Å; S334-H338 PolarHBondContact O-N 3.02Å |
| 335 | L | 86.9 | Confident | 77.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 179.1 | 177.4 | 59.3 | 0 | 0 | 0 | 112 | I189 N190 F195 L227 V231 I331 S332 H338 L339 | I189-L335 HydrophobicContact CG2-CD1 4.05Å; I189-L335 HydrophobicContact CG2-CD2 3.91Å; N190-L335 WeakPolarHBondContact OD1-CD2 3.37Å; F195-L335 HydrophobicContact CE1-CD1 4.37Å; F195-L335 HydrophobicContact CZ-CD1 3.86Å; L227-L335 HydrophobicContact CD1-CD2 4.29Å; V231-L335 HydrophobicContact CG1-CD1 4.08Å; V231-L335 HydrophobicContact CG2-CD1 4.37Å; I331-L335 HydrophobicContact CG2-CB 4.09Å; I331-L335 HydrophobicContact CG2-CD2 3.64Å; I331-L335 HydrophobicContact CG2-CG 3.71Å; S332-L335 WeakPolarHBondContact OG-CB 3.39Å; S332-L335 PolarHBondContact OG-N 3.18Å; L335-H338 PolarHBondContact O-N 3.04Å; L335-L339 HydrophobicContact CD1-CD1 4.14Å; L335-L339 HydrophobicContact CD1-CG 4.07Å; L335-L339 HydrophobicContact CG-CD1 4.22Å; L335-L339 WeakPolarHBondContact O-CG 3.49Å; L335-L339 PolarHBondContact O-N 2.93Å |
| 336 | R | 83.6 | Confident | 78.8 | Confident | 48 Ų | 48 | 39.7 Ų | 39.7 | 18% | 0.181 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.3 | -45.9 | 175 | -75.2 | -179.6 | -73.8 | -160.9 | 5 | 112.1 | V324 I331 S332 A333 S334 L339 R340 | V324-R336 HydrophobicContact CG1-CB 4.32Å; V324-R336 HydrophobicContact CG1-CG 3.72Å; I331-R336 HydrophobicContact CB-CG 3.98Å; I331-R336 HydrophobicContact CG2-CG 3.5Å; I331-R336 VanDerWaalsContact CG2-CG 3.5Å; I331-R336 VanDerWaalsContact O-CZ 3.28Å; I331-R336 PolarHBondContact O-NE 3.46Å; S332-R336 WeakPolarHBondContact O-CB 3.2Å; S332-R336 WeakPolarHBondContact O-CG 3.07Å; S332-R336 PolarHBondContact O-N 2.72Å; S332-R336 VanDerWaalsContact O-N 3.1Å; S332-R336 PolarHBondContact O-NE 3.27Å; A333-R336 PolarHBondContact O-N 3.35Å; S334-R336 PolarHBondContact O-N 3.43Å; R336-L339 PolarHBondContact O-N 2.85Å; R336-R340 VanDerWaalsContact O-CB 3.23Å; R336-R340 WeakPolarHBondContact O-CB 3.4Å; R336-R340 PolarHBondContact O-N 2.62Å |
| 337 | H | 83.2 | Confident | 80.5 | Confident | 97 Ų | 97 | 34.2 Ų | 34.2 | 45% | 0.449 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.8 | -44.7 | 177.8 | -175.5 | -93.5 | 0 | 0 | 0 | 111.3 | A333 S334 R340 R341 E420 | A333-H337 WeakPolarHBondContact O-CB 3.36Å; A333-H337 PolarHBondContact O-N 3Å; S334-H337 PolarHBondContact O-N 3.11Å; H337-R340 PolarHBondContact O-N 2.94Å; H337-R341 WeakPolarHBondContact O-CB 3.31Å; H337-R341 PolarHBondContact O-N 3.06Å; H337-E420 IonicContact CD2-OE1 2.62Å; H337-E420 PolarHBondContact CD2-OE1 2.78Å; H337-E420 IonicContact NE2-OE1 3.16Å |
| 338 | H | 87.4 | Confident | 82.1 | Confident | 15 Ų | 15 | 31.3 Ų | 31.3 | 7% | 0.069 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.7 | -53.2 | 174.9 | 176.3 | 76.8 | 0 | 0 | 0 | 112.4 | F195 E235 S334 L335 R340 R341 E342 | F195-H338 AromaticContact CD1-CD2 3.5Å; F195-H338 AromaticContact CD1-CE1 3.6Å; F195-H338 AromaticContact CD1-NE2 3.19Å; F195-H338 WeakPolarHBondContact CD1-NE2 3.44Å; F195-H338 AromaticContact CE1-CD2 3.39Å; F195-H338 WeakPolarHBondContact CE1-CD2 3.43Å; F195-H338 AromaticContact CE1-NE2 3.55Å; E235-H338 IonicContact OE1-CD2 3.67Å; E235-H338 IonicContact OE1-CE1 2.67Å; E235-H338 IonicContact OE1-NE2 2.8Å; E235-H338 PolarHBondContact OE1-NE2 3.46Å; E235-H338 IonicContact OE2-NE2 3.65Å; S334-H338 PolarHBondContact O-N 3.02Å; L335-H338 PolarHBondContact O-N 3.04Å; H338-R340 VanDerWaalsContact C-N 3.31Å; H338-R340 PolarHBondContact O-N 3.01Å; H338-R341 PolarHBondContact ND1-NH2 3.21Å; H338-R341 WeakPolarHBondContact O-CB 3.47Å; H338-R341 PolarHBondContact O-N 2.92Å; H338-E342 IonicContact CE1-OE1 2.86Å; H338-E342 WeakPolarHBondContact O-CG 3.32Å; H338-E342 PolarHBondContact O-N 2.79Å |
| 339 | L | 88.8 | Confident | 84 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61 | -40.4 | -179.8 | -67.7 | 178.4 | 0 | 0 | 0 | 112 | V231 M234 F277 L335 R336 C343 | V231-L339 HydrophobicContact CG2-CD1 4.31Å; M234-L339 HydrophobicContact CE-CD2 3.74Å; F277-L339 HydrophobicContact CD1-CB 4.39Å; F277-L339 HydrophobicContact CD2-CB 4.47Å; F277-L339 HydrophobicContact CD2-CD1 4.43Å; F277-L339 HydrophobicContact CE1-CB 4.21Å; F277-L339 HydrophobicContact CE2-CB 4.28Å; F277-L339 HydrophobicContact CZ-CB 4.15Å; L335-L339 HydrophobicContact CD1-CD1 4.14Å; L335-L339 HydrophobicContact CD1-CG 4.07Å; L335-L339 HydrophobicContact CG-CD1 4.22Å; L335-L339 WeakPolarHBondContact O-CG 3.49Å; L335-L339 PolarHBondContact O-N 2.93Å; R336-L339 PolarHBondContact O-N 2.85Å; L339-C343 WeakPolarHBondContact O-CB 3.42Å; L339-C343 PolarHBondContact O-N 3.4Å |
| 340 | R | 86.4 | Confident | 85.6 | Confident | 91 Ų | 91 | 28.5 Ų | 28.5 | 34% | 0.343 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -66.5 | -42.6 | 178.4 | -162.7 | 168 | -161.1 | -122.8 | 11.5 | 112.1 | F277 R336 H337 H338 C343 S344 E420 | F277-R340 HydrophobicContact CZ-CB 4.42Å; R336-R340 VanDerWaalsContact O-CB 3.23Å; R336-R340 WeakPolarHBondContact O-CB 3.4Å; R336-R340 PolarHBondContact O-N 2.62Å; H337-R340 PolarHBondContact O-N 2.94Å; H338-R340 VanDerWaalsContact C-N 3.31Å; H338-R340 PolarHBondContact O-N 3.01Å; R340-C343 WeakPolarHBondContact O-CB 3.38Å; R340-C343 PolarHBondContact O-N 2.84Å; R340-S344 PolarHBondContact O-N 2.79Å; R340-S344 PolarHBondContact O-OG 2.62Å; R340-E420 WeakPolarHBondContact CD-OE1 3.21Å; R340-E420 VanDerWaalsContact CD-OE2 3.28Å; R340-E420 WeakPolarHBondContact CD-OE2 3.21Å; R340-E420 WeakPolarHBondContact CG-OE2 3.35Å; R340-E420 IonicContact CZ-OE2 2.86Å; R340-E420 IonicContact NE-OE2 3.3Å; R340-E420 IonicContact NH1-OE1 2.66Å; R340-E420 IonicContact NH1-OE2 2.65Å; R340-E420 PolarHBondContact NH1-OE2 2.7Å |
| 341 | R | 85.7 | Confident | 86.5 | Confident | 45 Ų | 45 | 27 Ų | 27 | 17% | 0.17 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.5 | -57.8 | 173.9 | -170.4 | -171 | 78 | 173.9 | 1.5 | 111.3 | H337 H338 C343 S344 S345 Y421 S424 | H337-R341 WeakPolarHBondContact O-CB 3.31Å; H337-R341 PolarHBondContact O-N 3.06Å; H338-R341 PolarHBondContact ND1-NH2 3.21Å; H338-R341 WeakPolarHBondContact O-CB 3.47Å; H338-R341 PolarHBondContact O-N 2.92Å; R341-C343 VanDerWaalsContact C-N 3.31Å; R341-C343 PolarHBondContact O-N 2.73Å; R341-S344 WeakPolarHBondContact O-CB 3.28Å; R341-S344 PolarHBondContact O-N 3.03Å; R341-S345 PolarHBondContact O-N 3.32Å; R341-Y421 HydrophobicContact CG-CD2 3.74Å; R341-Y421 HydrophobicContact CG-CG 4.37Å; R341-Y421 WeakPolarHBondContact O-CD2 3.46Å; R341-S424 PolarHBondContact NH1-OG 2.9Å |
| 342 | E | 88.2 | Confident | 86.9 | Confident | 15 Ų | 15 | 27.2 Ų | 27.2 | 7% | 0.07 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.9 | -37.4 | 179.7 | -57.3 | -57 | 119.9 | 0 | 0 | 111.8 | R238 W281 H338 S344 S345 I346 | R238-E342 IonicContact CZ-OE2 3.81Å; R238-E342 IonicContact NE-OE2 2.76Å; R238-E342 IonicContact NH1-OE2 3.04Å; R238-E342 PolarHBondContact NH1-OE2 3.36Å; W281-E342 HydrophobicContact CH2-CB 3.74Å; W281-E342 HydrophobicContact CZ2-CB 3.73Å; H338-E342 IonicContact CE1-OE1 2.86Å; H338-E342 WeakPolarHBondContact O-CG 3.32Å; H338-E342 PolarHBondContact O-N 2.79Å; E342-S344 VanDerWaalsContact C-N 3.35Å; E342-S344 PolarHBondContact O-N 3.25Å; E342-S345 WeakPolarHBondContact O-CB 3.41Å; E342-S345 PolarHBondContact O-N 2.8Å; E342-I346 WeakPolarHBondContact O-CG1 3.23Å; E342-I346 PolarHBondContact O-N 2.89Å |
| 343 | C | 90.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.6 | -42.9 | 174 | -174.8 | 0 | 0 | 0 | 0 | 112.4 | F277 W281 L339 R340 R341 S345 I346 C347 | F277-C343 HydrophobicContact CD1-CB 3.89Å; F277-C343 HydrophobicContact CE1-CB 3.69Å; W281-C343 HydrophobicContact CH2-CB 4.19Å; W281-C343 HydrophobicContact CZ3-CB 3.8Å; L339-C343 WeakPolarHBondContact O-CB 3.42Å; L339-C343 PolarHBondContact O-N 3.4Å; R340-C343 WeakPolarHBondContact O-CB 3.38Å; R340-C343 PolarHBondContact O-N 2.84Å; R341-C343 VanDerWaalsContact C-N 3.31Å; R341-C343 PolarHBondContact O-N 2.73Å; C343-S345 VanDerWaalsContact C-N 3.33Å; C343-S345 PolarHBondContact O-N 2.86Å; C343-I346 PolarHBondContact O-N 3.11Å; C343-C347 PolarHBondContact O-N 3.4Å; C343-C347 PolarHBondContact O-SG 3.16Å |
| 344 | S | 86.9 | Confident | 87.4 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.014 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63 | -38.5 | 177.2 | -69.3 | 0 | 0 | 0 | 0 | 112.7 | R340 R341 E342 A348 S417 | R340-S344 PolarHBondContact O-N 2.79Å; R340-S344 PolarHBondContact O-OG 2.62Å; R341-S344 WeakPolarHBondContact O-CB 3.28Å; R341-S344 PolarHBondContact O-N 3.03Å; E342-S344 VanDerWaalsContact C-N 3.35Å; E342-S344 PolarHBondContact O-N 3.25Å; S344-A348 VanDerWaalsContact O-CB 3.3Å; S344-A348 WeakPolarHBondContact O-CB 3.39Å; S344-A348 PolarHBondContact O-N 3.33Å; S344-S417 WeakPolarHBondContact CB-O 2.99Å; S344-S417 PolarHBondContact OG-O 3.19Å |
| 345 | S | 88.4 | Confident | 87.1 | Confident | 8 Ų | 8 | 25.1 Ų | 25.1 | 6% | 0.056 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65 | -44.5 | 173.3 | 178.5 | 0 | 0 | 0 | 0 | 112.2 | R341 E342 C343 A348 Q349 | R341-S345 PolarHBondContact O-N 3.32Å; E342-S345 WeakPolarHBondContact O-CB 3.41Å; E342-S345 PolarHBondContact O-N 2.8Å; C343-S345 VanDerWaalsContact C-N 3.33Å; C343-S345 PolarHBondContact O-N 2.86Å; S345-A348 PolarHBondContact O-N 2.86Å; S345-Q349 WeakPolarHBondContact O-CB 3.5Å; S345-Q349 WeakPolarHBondContact O-CG 3.1Å; S345-Q349 PolarHBondContact O-N 3Å; S345-Q349 PolarHBondContact O-NE2 2.95Å; S345-Q349 PolarHBondContact OG-NE2 2.98Å |
| 346 | I | 91.7 | Very high | 86.6 | Confident | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.6 | -50.5 | 176.6 | -78.2 | 169 | 0 | 0 | 0 | 111.2 | I280 W281 F284 Y285 V316 E342 C343 Q349 A350 | I280-I346 HydrophobicContact CG2-CG2 3.69Å; W281-I346 HydrophobicContact CD2-CD1 3.66Å; W281-I346 HydrophobicContact CE3-CD1 3.78Å; W281-I346 HydrophobicContact CG-CD1 4.3Å; W281-I346 HydrophobicContact CH2-CD1 4.09Å; W281-I346 HydrophobicContact CZ2-CD1 3.94Å; W281-I346 HydrophobicContact CZ3-CD1 4Å; F284-I346 HydrophobicContact CB-CG2 3.56Å; F284-I346 HydrophobicContact CD1-CD1 4.37Å; F284-I346 HydrophobicContact CD1-CG1 3.92Å; F284-I346 HydrophobicContact CD1-CG2 4.13Å; F284-I346 HydrophobicContact CD2-CG2 3.78Å; F284-I346 HydrophobicContact CE1-CG1 4.1Å; F284-I346 HydrophobicContact CE2-CG2 4.49Å; F284-I346 HydrophobicContact CG-CB 4.36Å; F284-I346 HydrophobicContact CG-CG1 4.23Å; F284-I346 HydrophobicContact CG-CG2 3.55Å; Y285-I346 HydrophobicContact CE2-CD1 4.03Å; V316-I346 HydrophobicContact CG1-CG2 3.9Å; E342-I346 WeakPolarHBondContact O-CG1 3.23Å; E342-I346 PolarHBondContact O-N 2.89Å; C343-I346 PolarHBondContact O-N 3.11Å; I346-Q349 PolarHBondContact O-N 3.13Å; I346-A350 WeakPolarHBondContact O-CB 3.45Å; I346-A350 PolarHBondContact O-N 2.53Å |
| 347 | C | 89.9 | Confident | 86.3 | Confident | 7 Ų | 7 | 23.4 Ų | 23.4 | 5% | 0.047 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.7 | -41.9 | -179.7 | -64.4 | 0 | 0 | 0 | 0 | 112 | C343 Q349 A350 T351 | C343-C347 PolarHBondContact O-N 3.4Å; C343-C347 PolarHBondContact O-SG 3.16Å; C347-Q349 PolarHBondContact O-N 2.56Å; C347-A350 PolarHBondContact O-N 3.04Å; C347-T351 PolarHBondContact O-N 3.26Å; C347-T351 PolarHBondContact O-OG1 3.35Å |
| 348 | A | 85.4 | Confident | 85.8 | Confident | 11 Ų | 11 | 20.5 Ų | 20.5 | 9% | 0.091 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | S344 S345 T351 Y352 L418 | S344-A348 VanDerWaalsContact O-CB 3.3Å; S344-A348 WeakPolarHBondContact O-CB 3.39Å; S344-A348 PolarHBondContact O-N 3.33Å; S345-A348 PolarHBondContact O-N 2.86Å; A348-T351 PolarHBondContact O-N 2.6Å; A348-Y352 VanDerWaalsContact O-CD2 3.27Å; A348-Y352 WeakPolarHBondContact O-CD2 3.28Å; A348-Y352 PolarHBondContact O-N 3.34Å; A348-Y352 VanDerWaalsContact O-N 3.1Å; A348-L418 HydrophobicContact CB-CD1 3.97Å |
| 349 | Q | 91.7 | Very high | 84.8 | Confident | 10 Ų | 10 | 21.8 Ų | 21.8 | 5% | 0.047 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.7 | -47.6 | 176.6 | -74.2 | 174.9 | 71.4 | 0 | 0 | 111.9 | F284 S345 I346 C347 T351 Y352 L353 L430 W433 L550 | F284-Q349 HydrophobicContact CE2-CB 3.94Å; F284-Q349 HydrophobicContact CZ-CB 4.23Å; S345-Q349 WeakPolarHBondContact O-CB 3.5Å; S345-Q349 WeakPolarHBondContact O-CG 3.1Å; S345-Q349 PolarHBondContact O-N 3Å; S345-Q349 PolarHBondContact O-NE2 2.95Å; S345-Q349 PolarHBondContact OG-NE2 2.98Å; I346-Q349 PolarHBondContact O-N 3.13Å; C347-Q349 PolarHBondContact O-N 2.56Å; Q349-T351 PolarHBondContact O-N 3.48Å; Q349-Y352 PolarHBondContact O-N 3.05Å; Q349-L353 WeakPolarHBondContact O-CB 3.32Å; Q349-L353 WeakPolarHBondContact O-CG 3.38Å; Q349-L353 PolarHBondContact O-N 3.18Å; Q349-L430 HydrophobicContact CG-CD1 3.82Å; Q349-W433 HydrophobicContact CB-CH2 4.06Å; Q349-W433 HydrophobicContact CB-CZ3 4.19Å; Q349-W433 HydrophobicContact CG-CE3 4.08Å; Q349-W433 HydrophobicContact CG-CH2 4.1Å; Q349-W433 HydrophobicContact CG-CZ3 3.87Å; Q349-L550 VanDerWaalsContact OE1-CB 3.29Å |
| 350 | A | 91.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.9 | -45.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F284 Y313 V316 I346 C347 L353 V354 | F284-A350 HydrophobicContact CD2-CB 4.28Å; Y313-A350 HydrophobicContact CD1-CB 4.21Å; V316-A350 HydrophobicContact CB-CB 3.68Å; V316-A350 HydrophobicContact CG1-CB 3.51Å; I346-A350 WeakPolarHBondContact O-CB 3.45Å; I346-A350 PolarHBondContact O-N 2.53Å; C347-A350 PolarHBondContact O-N 3.04Å; A350-L353 PolarHBondContact O-N 3.06Å; A350-V354 WeakPolarHBondContact O-CB 3.23Å; A350-V354 WeakPolarHBondContact O-CG2 3.4Å; A350-V354 PolarHBondContact O-N 3.06Å |
| 351 | T | 87.1 | Confident | 82.3 | Confident | 41 Ų | 41 | 18 Ų | 18 | 25% | 0.252 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -64.2 | -41.6 | 179.8 | -57.1 | 0 | 0 | 0 | 0 | 112.5 | S317 C347 A348 Q349 V354 H355 F412 | S317-T351 WeakPolarHBondContact CB-OG1 3.44Å; S317-T351 WeakPolarHBondContact OG-CB 3.34Å; S317-T351 WeakPolarHBondContact OG-CG2 3.31Å; S317-T351 PolarHBondContact OG-OG1 3.08Å; C347-T351 PolarHBondContact O-N 3.26Å; C347-T351 PolarHBondContact O-OG1 3.35Å; A348-T351 PolarHBondContact O-N 2.6Å; Q349-T351 PolarHBondContact O-N 3.48Å; T351-V354 PolarHBondContact O-N 3.2Å; T351-H355 PolarHBondContact O-N 3.11Å; T351-F412 HydrophobicContact CG2-CE2 3.83Å |
| 352 | Y | 85.8 | Confident | 80.8 | Confident | 17 Ų | 17 | 20.6 Ų | 20.6 | 7% | 0.067 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65 | -43.5 | 175.6 | -84.5 | -66.3 | 0 | 0 | 0 | 112.2 | A348 Q349 H355 L356 F412 W433 I434 Q437 Q438 | A348-Y352 VanDerWaalsContact O-CD2 3.27Å; A348-Y352 WeakPolarHBondContact O-CD2 3.28Å; A348-Y352 PolarHBondContact O-N 3.34Å; A348-Y352 VanDerWaalsContact O-N 3.1Å; Q349-Y352 PolarHBondContact O-N 3.05Å; Y352-H355 PolarHBondContact O-N 3.2Å; Y352-L356 WeakPolarHBondContact O-CG 3.4Å; Y352-L356 PolarHBondContact O-N 3.45Å; Y352-F412 HydrophobicContact CD2-CZ 4.15Å; Y352-F412 HydrophobicContact CE1-CD2 4.44Å; Y352-F412 HydrophobicContact CE1-CE1 4.37Å; Y352-F412 HydrophobicContact CE1-CE2 4.21Å; Y352-F412 HydrophobicContact CE1-CZ 4.18Å; Y352-F412 AromaticContact CE2-CE1 3.75Å; Y352-F412 HydrophobicContact CE2-CE1 3.75Å; Y352-F412 HydrophobicContact CE2-CE2 4.25Å; Y352-F412 AromaticContact CE2-CZ 3.52Å; Y352-F412 HydrophobicContact CE2-CZ 3.52Å; Y352-F412 AromaticContact CZ-CD1 3.95Å; Y352-F412 AromaticContact CZ-CE1 3.49Å; Y352-F412 VanDerWaalsContact CZ-CE1 3.49Å; Y352-F412 AromaticContact CZ-CZ 3.53Å; Y352-F412 VanDerWaalsContact OH-CD1 3.29Å; Y352-F412 WeakPolarHBondContact OH-CD1 3.3Å; Y352-F412 WeakPolarHBondContact OH-CE1 3.41Å; Y352-W433 HydrophobicContact CD2-CZ3 4.03Å; Y352-W433 HydrophobicContact CG-CZ3 4.23Å; Y352-I434 HydrophobicContact CD2-CG1 4.32Å; Y352-I434 HydrophobicContact CE2-CB 4.38Å; Y352-I434 HydrophobicContact CE2-CD1 4.32Å; Y352-I434 HydrophobicContact CE2-CG1 4.02Å; Y352-I434 HydrophobicContact CE2-CG2 3.63Å; Y352-Q437 HydrophobicContact CD1-CB 3.67Å; Y352-Q437 HydrophobicContact CD1-CG 4.17Å; Y352-Q437 HydrophobicContact CE1-CB 4.13Å; Y352-Q437 HydrophobicContact CG-CB 4.1Å; Y352-Q437 HydrophobicContact CG-CG 4.06Å; Y352-Q438 PolarHBondContact OH-NE2 2.9Å |
| 353 | L | 87.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.1 | -72.5 | 170.8 | 0 | 0 | 0 | 111.8 | Y313 Q349 A350 H355 L356 F357 W433 P549 | Y313-L353 HydrophobicContact CD2-CB 4.1Å; Y313-L353 HydrophobicContact CD2-CD1 4.07Å; Y313-L353 HydrophobicContact CE1-CD1 4.29Å; Y313-L353 HydrophobicContact CE2-CD1 3.78Å; Y313-L353 HydrophobicContact CG-CB 4.5Å; Y313-L353 HydrophobicContact CG-CD1 4.45Å; Q349-L353 WeakPolarHBondContact O-CB 3.32Å; Q349-L353 WeakPolarHBondContact O-CG 3.38Å; Q349-L353 PolarHBondContact O-N 3.18Å; A350-L353 PolarHBondContact O-N 3.06Å; L353-H355 VanDerWaalsContact C-N 3.31Å; L353-H355 PolarHBondContact O-N 2.85Å; L353-L356 PolarHBondContact O-N 2.69Å; L353-F357 HydrophobicContact CB-CD2 4.25Å; L353-F357 HydrophobicContact CB-CE2 3.97Å; L353-F357 HydrophobicContact CD2-CE2 4.33Å; L353-F357 WeakPolarHBondContact O-CB 3.33Å; L353-F357 WeakPolarHBondContact O-CD2 3.29Å; L353-F357 WeakPolarHBondContact O-CG 3.35Å; L353-F357 PolarHBondContact O-N 2.72Å; L353-W433 HydrophobicContact CD1-CZ2 4.47Å; L353-W433 HydrophobicContact CD2-CZ2 4.14Å; L353-W433 HydrophobicContact CG-CH2 4.14Å; L353-W433 HydrophobicContact CG-CZ2 4.06Å; L353-P549 HydrophobicContact CD1-CB 3.9Å; L353-P549 HydrophobicContact CD1-CG 4.43Å |
| 354 | V | 85.6 | Confident | 77.1 | Confident | 22 Ų | 22 | 28.7 Ų | 28.7 | 13% | 0.133 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.9 | -44.3 | 174.6 | 165.9 | 0 | 0 | 0 | 0 | 111.4 | F310 Q314 A350 T351 S358 | F310-V354 HydrophobicContact CD2-CG1 4.48Å; F310-V354 HydrophobicContact CD2-CG2 4.46Å; F310-V354 HydrophobicContact CE2-CB 4.36Å; F310-V354 HydrophobicContact CE2-CG1 3.81Å; Q314-V354 HydrophobicContact CB-CG2 4.21Å; Q314-V354 VanDerWaalsContact N-CG2 3.34Å; A350-V354 WeakPolarHBondContact O-CB 3.23Å; A350-V354 WeakPolarHBondContact O-CG2 3.4Å; A350-V354 PolarHBondContact O-N 3.06Å; T351-V354 PolarHBondContact O-N 3.2Å; V354-S358 VanDerWaalsContact O-CB 3.29Å; V354-S358 WeakPolarHBondContact O-CB 3.49Å; V354-S358 PolarHBondContact O-N 3.49Å; V354-S358 PolarHBondContact O-OG 2.78Å |
| 355 | H | 78.2 | Confident | 75 | Confident | 93 Ų | 93 | 37.5 Ų | 37.5 | 43% | 0.431 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.4 | -47.2 | 177 | -174.2 | -75.4 | 0 | 0 | 0 | 111.7 | T351 Y352 L353 S358 A359 | T351-H355 PolarHBondContact O-N 3.11Å; Y352-H355 PolarHBondContact O-N 3.2Å; L353-H355 VanDerWaalsContact C-N 3.31Å; L353-H355 PolarHBondContact O-N 2.85Å; H355-S358 PolarHBondContact O-N 3.05Å; H355-S358 PolarHBondContact O-OG 3.39Å; H355-A359 PolarHBondContact O-N 3.28Å |
| 356 | L | 76.6 | Confident | 73 | Confident | 9 Ų | 9 | 43.4 Ų | 43.4 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.5 | -44.2 | -179.5 | -69 | 162.7 | 0 | 0 | 0 | 112.7 | Y352 L353 A359 L439 L546 | Y352-L356 WeakPolarHBondContact O-CG 3.4Å; Y352-L356 PolarHBondContact O-N 3.45Å; L353-L356 PolarHBondContact O-N 2.69Å; L356-A359 PolarHBondContact O-N 2.81Å; L356-L439 HydrophobicContact CD2-CD1 3.67Å; L356-L546 VanDerWaalsContact CD1-O 3.29Å; L356-L546 WeakPolarHBondContact CD1-O 3.37Å |
| 357 | F | 76.6 | Confident | 71.1 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 173.5 | -70.3 | -50.4 | 0 | 0 | 0 | 111.1 | F310 Y313 L353 A359 S360 L361 L528 | F310-F357 HydrophobicContact CB-CB 4.22Å; F310-F357 HydrophobicContact CB-CD2 4.24Å; F310-F357 HydrophobicContact CB-CG 4.36Å; F310-F357 HydrophobicContact CD2-CB 3.6Å; F310-F357 HydrophobicContact CD2-CD2 4.44Å; F310-F357 HydrophobicContact CD2-CG 4.43Å; F310-F357 HydrophobicContact CE2-CB 4.38Å; F310-F357 HydrophobicContact CG-CB 4.29Å; Y313-F357 AromaticContact CD2-CE2 3.98Å; Y313-F357 HydrophobicContact CD2-CE2 3.98Å; Y313-F357 HydrophobicContact CE2-CE2 4.15Å; L353-F357 HydrophobicContact CB-CD2 4.25Å; L353-F357 HydrophobicContact CB-CE2 3.97Å; L353-F357 HydrophobicContact CD2-CE2 4.33Å; L353-F357 WeakPolarHBondContact O-CB 3.33Å; L353-F357 WeakPolarHBondContact O-CD2 3.29Å; L353-F357 WeakPolarHBondContact O-CG 3.35Å; L353-F357 PolarHBondContact O-N 2.72Å; F357-A359 VanDerWaalsContact C-N 3.26Å; F357-A359 PolarHBondContact O-N 2.83Å; F357-S360 WeakPolarHBondContact O-CA 3.32Å; F357-S360 VanDerWaalsContact O-CB 3.29Å; F357-S360 WeakPolarHBondContact O-CB 3.21Å; F357-S360 PolarHBondContact O-N 3.24Å; F357-L361 WeakPolarHBondContact O-CG 3.49Å; F357-L361 PolarHBondContact O-N 3.14Å; F357-L361 VanDerWaalsContact O-N 3.12Å; F357-L528 HydrophobicContact CD1-CD1 3.72Å; F357-L528 HydrophobicContact CD1-CD2 3.67Å; F357-L528 HydrophobicContact CD1-CG 4.37Å; F357-L528 HydrophobicContact CE1-CD1 3.91Å; F357-L528 HydrophobicContact CE1-CD2 3.7Å; F357-L528 HydrophobicContact CE1-CG 4.43Å |
| 358 | S | 72.2 | Confident | 69.3 | Low | 36 Ų | 36 | 53.2 Ų | 53.2 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.6 | -35.3 | 179.5 | 69.4 | 0 | 0 | 0 | 0 | 113.5 | V354 H355 S360 L361 D362 | V354-S358 VanDerWaalsContact O-CB 3.29Å; V354-S358 WeakPolarHBondContact O-CB 3.49Å; V354-S358 PolarHBondContact O-N 3.49Å; V354-S358 PolarHBondContact O-OG 2.78Å; H355-S358 PolarHBondContact O-N 3.05Å; H355-S358 PolarHBondContact O-OG 3.39Å; S358-S360 PolarHBondContact O-N 2.81Å; S358-L361 PolarHBondContact O-N 2.84Å; S358-L361 VanDerWaalsContact O-N 3.14Å; S358-D362 PolarHBondContact O-N 3.13Å |
| 359 | A | 66.4 | Low | 67.9 | Low | 41 Ų | 41 | 61.1 Ų | 61.1 | 34% | 0.339 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67 | -21.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | H355 L356 F357 L532 | H355-A359 PolarHBondContact O-N 3.28Å; L356-A359 PolarHBondContact O-N 2.81Å; F357-A359 VanDerWaalsContact C-N 3.26Å; F357-A359 PolarHBondContact O-N 2.83Å; A359-L532 HydrophobicContact CB-CD2 4.29Å |
| 360 | S | 62.4 | Low | 66.3 | Low | 4 Ų | 4 | 68.3 Ų | 68.3 | 3% | 0.028 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -78.8 | -43 | 169.1 | -159.7 | 0 | 0 | 0 | 0 | 110.9 | F357 S358 Q531 | F357-S360 WeakPolarHBondContact O-CA 3.32Å; F357-S360 VanDerWaalsContact O-CB 3.29Å; F357-S360 WeakPolarHBondContact O-CB 3.21Å; F357-S360 PolarHBondContact O-N 3.24Å; S358-S360 PolarHBondContact O-N 2.81Å; S360-Q531 VanDerWaalsContact OG-CB 3.27Å; S360-Q531 WeakPolarHBondContact OG-CB 3.35Å; S360-Q531 PolarHBondContact OG-OE1 3.09Å; S360-Q531 VanDerWaalsContact OG-OE1 3.04Å |
| 361 | L | 60.4 | Low | 65.1 | Low | 8 Ų | 8 | 69 Ų | 69 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -73.5 | -29 | -168.7 | -63.2 | -177.9 | 0 | 0 | 0 | 114.7 | F307 F310 F357 S358 K363 T364 T403 | F307-L361 HydrophobicContact CD1-CD1 3.81Å; F307-L361 HydrophobicContact CD1-CD2 3.78Å; F307-L361 HydrophobicContact CD1-CG 4.43Å; F307-L361 HydrophobicContact CE1-CD1 3.71Å; F307-L361 HydrophobicContact CE1-CD2 3.2Å; F307-L361 HydrophobicContact CE1-CG 3.98Å; F307-L361 HydrophobicContact CE2-CD2 4.23Å; F307-L361 HydrophobicContact CZ-CD2 3.46Å; F307-L361 VanDerWaalsContact CZ-CD2 3.46Å; F310-L361 HydrophobicContact CD1-CD1 4.1Å; F310-L361 HydrophobicContact CD2-CD1 4.41Å; F310-L361 HydrophobicContact CE1-CD1 4.24Å; F310-L361 HydrophobicContact CE2-CD1 4.5Å; F310-L361 HydrophobicContact CG-CD1 4.18Å; F310-L361 HydrophobicContact CZ-CD1 4.42Å; F357-L361 WeakPolarHBondContact O-CG 3.49Å; F357-L361 PolarHBondContact O-N 3.14Å; F357-L361 VanDerWaalsContact O-N 3.12Å; S358-L361 PolarHBondContact O-N 2.84Å; S358-L361 VanDerWaalsContact O-N 3.14Å; L361-K363 PolarHBondContact O-N 3.08Å; L361-T364 PolarHBondContact O-N 3.18Å; L361-T364 PolarHBondContact O-OG1 3.29Å; L361-T403 HydrophobicContact CB-CG2 4.08Å |
| 362 | D | 55 | Low | 64.4 | Low | 100 Ų | 100 | 70.2 Ų | 70.2 | 54% | 0.535 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -11 | 178.9 | -94.2 | 9.9 | 0 | 0 | 0 | 113.9 | S358 Q406 | S358-D362 PolarHBondContact O-N 3.13Å; D362-Q406 PolarHBondContact OD2-NE2 2.88Å |
| 363 | K | 51.6 | Low | 64.1 | Low | 120 Ų | 120 | 70.4 Ų | 70.4 | 52% | 0.522 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -15.8 | 173.3 | -61.2 | -176.6 | -170.3 | 174.5 | 0 | 114.5 | L361 Q531 L532 | L361-K363 PolarHBondContact O-N 3.08Å; K363-Q531 PolarHBondContact NZ-O 3.36Å; K363-L532 PolarHBondContact NZ-O 2.99Å |
| 364 | T | 47.4 | Very low | 63.6 | Low | 66 Ų | 66 | 70.4 Ų | 70.4 | 41% | 0.405 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -85.1 | 129 | -175 | 61 | 0 | 0 | 0 | 0 | 111.2 | L361 | L361-T364 PolarHBondContact O-N 3.18Å; L361-T364 PolarHBondContact O-OG1 3.29Å |
| 365 | K | 43.7 | Very low | 63.2 | Low | 187 Ų | 187 | 72.1 Ų | 72.1 | 81% | 0.813 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 149.5 | -177.3 | -76.6 | 179.1 | 179.2 | 173.7 | 0 | 111.3 | T367 | K365-T367 PolarHBondContact O-N 3.24Š|
| 366 | P | 46.4 | Very low | 63.4 | Low | 133 Ų | 133 | 71.7 Ų | 71.7 | 86% | 0.864 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 121.8 | -177.1 | 23.9 | -34.3 | 0 | 0 | 0 | 111.7 | ||
| 367 | T | 51.8 | Low | 63.9 | Low | 68 Ų | 68 | 72.3 Ų | 72.3 | 42% | 0.417 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 162.3 | 178.2 | 45.7 | 0 | 0 | 0 | 0 | 112.2 | K365 | K365-T367 PolarHBondContact O-N 3.24Š|
| 368 | K | 53.2 | Low | 64.4 | Low | 149 Ų | 149 | 75.8 Ų | 75.8 | 65% | 0.648 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -49.8 | 136.7 | -171.7 | -61.9 | 165.6 | -175.2 | 158.6 | 0 | 112.3 | N370 A371 D397 | K368-N370 PolarHBondContact O-N 3.34Å; K368-A371 PolarHBondContact O-N 3.23Å; K368-D397 IonicContact NZ-OD2 3.77Å |
| 369 | E | 55.2 | Low | 65.3 | Low | 176 Ų | 176 | 75 Ų | 75 | 82% | 0.822 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -25.9 | -175.8 | -66.6 | -174.7 | 138.9 | 0 | 0 | 114.7 | ||
| 370 | N | 57 | Low | 66.4 | Low | 162 Ų | 162 | 78 Ų | 78 | 87% | 0.866 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 3.1 | -174.3 | -66.2 | -9.1 | 0 | 0 | 0 | 115.2 | K368 | K368-N370 PolarHBondContact O-N 3.34Š|
| 371 | A | 67.1 | Low | 67.6 | Low | 15 Ų | 15 | 82.2 Ų | 82.2 | 12% | 0.124 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -81.7 | 144.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K368 S373 T398 R400 | K368-A371 PolarHBondContact O-N 3.23Å; A371-S373 PolarHBondContact O-N 2.87Å; A371-T398 CarbonylContact C-O 3.51Å; A371-T398 WeakPolarHBondContact CA-O 3.34Å; A371-T398 WeakPolarHBondContact CB-O 3.21Å; A371-R400 HydrophobicContact CB-CB 3.78Å; A371-R400 WeakPolarHBondContact O-CB 3.24Å |
| 372 | I | 72.9 | Confident | 69 | Low | 65 Ų | 65 | 81.8 Ų | 81.8 | 33% | 0.333 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 117.8 | -174.9 | -58.4 | 174.4 | 0 | 0 | 0 | 110 | L374 L377 T398 Y399 R400 | I372-L374 PolarHBondContact O-N 3.15Å; I372-L377 HydrophobicContact CG2-CD2 4.26Å; I372-T398 HydrophobicContact CD1-CG2 4.18Å; I372-T398 HydrophobicContact CG1-CG2 4.47Å; I372-T398 PolarHBondContact N-O 3.24Å; I372-Y399 HydrophobicContact CB-CD1 4.25Å; I372-Y399 CarbonylContact O-C 3.55Å; I372-Y399 WeakPolarHBondContact O-CA 3.28Å; I372-R400 PolarHBondContact O-N 3.14Å |
| 373 | S | 78.7 | Confident | 70.7 | Confident | 22 Ų | 22 | 77.2 Ų | 77.2 | 15% | 0.154 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 126.4 | 175.4 | 176.3 | 0 | 0 | 0 | 0 | 112.3 | A371 N375 S376 D402 | A371-S373 PolarHBondContact O-N 2.87Å; S373-N375 PolarHBondContact O-N 2.63Å; S373-N375 VanDerWaalsContact O-N 3.13Å; S373-N375 WeakPolarHBondContact OG-CB 3.11Å; S373-N375 PolarHBondContact OG-N 2.97Å; S373-N375 VanDerWaalsContact OG-N 3.11Å; S373-S376 PolarHBondContact O-N 3.18Å; S373-S376 PolarHBondContact O-OG 3.06Å; S373-D402 WeakPolarHBondContact CB-OD2 3.27Å; S373-D402 PolarHBondContact OG-OD2 3.48Å |
| 374 | L | 77.2 | Confident | 72.4 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -16.4 | 171 | -68.9 | 176.2 | 0 | 0 | 0 | 113 | H311 R315 I372 L377 L382 L385 Y399 R400 F401 | H311-L374 WeakPolarHBondContact CD2-CD1 3.43Å; R315-L374 PolarHBondContact NH2-O 3.2Å; I372-L374 PolarHBondContact O-N 3.15Å; L374-L377 HydrophobicContact CD2-CD1 3.63Å; L374-L382 HydrophobicContact CD2-CD2 4.28Å; L374-L385 HydrophobicContact CD2-CD1 3.82Å; L374-Y399 HydrophobicContact CD2-CD1 3.73Å; L374-Y399 HydrophobicContact CD2-CG 4.02Å; L374-R400 PolarHBondContact N-O 2.89Å; L374-R400 VanDerWaalsContact N-O 3.16Å; L374-F401 HydrophobicContact CD1-CD1 3.64Å; L374-F401 HydrophobicContact CD1-CE1 3.61Å |
| 375 | N | 78.3 | Confident | 74.1 | Confident | 58 Ų | 58 | 71.5 Ų | 71.5 | 31% | 0.31 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -17.2 | 173.1 | -73.4 | -32.9 | 0 | 0 | 0 | 113.4 | H311 Q314 S373 | H311-N375 PolarHBondContact ND1-OD1 2.93Å; Q314-N375 PolarHBondContact OE1-ND2 3.42Å; Q314-N375 PolarHBondContact OE1-OD1 2.96Å; S373-N375 PolarHBondContact O-N 2.63Å; S373-N375 VanDerWaalsContact O-N 3.13Å; S373-N375 WeakPolarHBondContact OG-CB 3.11Å; S373-N375 PolarHBondContact OG-N 2.97Å; S373-N375 VanDerWaalsContact OG-N 3.11Å |
| 376 | S | 82.1 | Confident | 76 | Confident | 84 Ų | 84 | 62.6 Ų | 62.6 | 59% | 0.587 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -17.9 | 176 | 68.9 | 0 | 0 | 0 | 0 | 114.1 | S373 | S373-S376 PolarHBondContact O-N 3.18Å; S373-S376 PolarHBondContact O-OG 3.06Å |
| 377 | L | 85.6 | Confident | 77.3 | Confident | 21 Ų | 21 | 59.2 Ų | 59.2 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -67.9 | 144.8 | -178 | -63.9 | 178.8 | 0 | 0 | 0 | 112.7 | R315 I372 L374 E381 L382 L385 Y399 | R315-L377 VanDerWaalsContact CZ-O 3.25Å; R315-L377 PolarHBondContact NH1-O 3.01Å; R315-L377 PolarHBondContact NH2-O 2.93Å; I372-L377 HydrophobicContact CG2-CD2 4.26Å; L374-L377 HydrophobicContact CD2-CD1 3.63Å; L377-E381 HydrophobicContact CB-CB 4.09Å; L377-E381 HydrophobicContact CD2-CB 4.15Å; L377-L382 HydrophobicContact CB-CD2 4.13Å; L377-L382 HydrophobicContact CB-CG 4.1Å; L377-L382 HydrophobicContact CD1-CD2 3.83Å; L377-L385 HydrophobicContact CD1-CD1 3.84Å; L377-Y399 HydrophobicContact CD1-CD1 4.34Å; L377-Y399 HydrophobicContact CD1-CE1 4.09Å |
| 378 | T | 87.7 | Confident | 77.7 | Confident | 76 Ų | 76 | 58.5 Ų | 58.5 | 47% | 0.466 | 32% | 0.319 | S | S | . | . | trans | -66.1 | 163.6 | 166.8 | 64.1 | 0 | 0 | 0 | 0 | 111 | K380 E381 L382 | T378-K380 VanDerWaalsContact C-N 3.28Å; T378-K380 PolarHBondContact O-N 3.28Å; T378-E381 VanDerWaalsContact CB-OE2 3.31Å; T378-E381 WeakPolarHBondContact CB-OE2 3.41Å; T378-E381 WeakPolarHBondContact CG2-OE2 3.37Å; T378-E381 PolarHBondContact N-OE2 3.43Å; T378-E381 PolarHBondContact O-N 3.4Å; T378-E381 VanDerWaalsContact OG1-CG 3.31Å; T378-E381 WeakPolarHBondContact OG1-CG 3.12Å; T378-E381 PolarHBondContact OG1-N 2.78Å; T378-E381 PolarHBondContact OG1-OE2 3.05Å; T378-L382 PolarHBondContact O-N 3.33Å | ||
| 379 | W | 92 | Very high | 77.3 | Confident | 21 Ų | 21 | 57.3 Ų | 57.3 | 8% | 0.08 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.9 | -36.3 | 175.8 | -178.3 | 94.5 | 0 | 0 | 0 | 112 | L253 I254 E257 L282 F312 E381 L382 I383 | L253-W379 HydrophobicContact CB-CH2 3.84Å; L253-W379 HydrophobicContact CB-CZ2 3.99Å; L253-W379 HydrophobicContact CD2-CZ2 4.43Å; I254-W379 HydrophobicContact CD1-CH2 4.42Å; I254-W379 HydrophobicContact CD1-CZ3 4.14Å; E257-W379 HydrophobicContact CB-CE3 4.01Å; E257-W379 HydrophobicContact CB-CH2 4.49Å; E257-W379 HydrophobicContact CB-CZ3 3.79Å; E257-W379 HydrophobicContact CG-CE3 3.67Å; E257-W379 HydrophobicContact CG-CZ3 3.93Å; L282-W379 HydrophobicContact CD1-CD2 4.32Å; L282-W379 HydrophobicContact CD1-CH2 3.88Å; L282-W379 HydrophobicContact CD1-CZ2 3.58Å; L282-W379 HydrophobicContact CD1-CZ3 4.36Å; L282-W379 HydrophobicContact CD2-CD2 3.7Å; L282-W379 HydrophobicContact CD2-CE3 4.13Å; L282-W379 HydrophobicContact CD2-CG 3.86Å; L282-W379 HydrophobicContact CD2-CZ2 4.48Å; L282-W379 HydrophobicContact CG-CD2 3.85Å; L282-W379 VanDerWaalsContact CG-CE2 3.48Å; L282-W379 HydrophobicContact CG-CE3 4.47Å; L282-W379 HydrophobicContact CG-CG 4.18Å; L282-W379 HydrophobicContact CG-CH2 4.44Å; L282-W379 HydrophobicContact CG-CZ2 3.82Å; L282-W379 PolarHBondContact O-NE1 2.9Å; F312-W379 AromaticContact CE1-CD1 3.72Å; F312-W379 AromaticContact CE1-NE1 3.53Å; W379-E381 PolarHBondContact O-N 3.35Å; W379-L382 PolarHBondContact O-N 3.24Å; W379-I383 HydrophobicContact CE3-CB 4.43Å; W379-I383 HydrophobicContact CE3-CG2 4.12Å; W379-I383 HydrophobicContact CH2-CB 3.94Å; W379-I383 HydrophobicContact CH2-CD1 4.36Å; W379-I383 HydrophobicContact CH2-CG1 3.88Å; W379-I383 HydrophobicContact CH2-CG2 3.88Å; W379-I383 HydrophobicContact CZ2-CB 4.04Å; W379-I383 HydrophobicContact CZ2-CD1 3.94Å; W379-I383 HydrophobicContact CZ2-CG1 3.95Å; W379-I383 HydrophobicContact CZ2-CG2 4.46Å; W379-I383 HydrophobicContact CZ3-CB 4.15Å; W379-I383 HydrophobicContact CZ3-CG2 3.69Å; W379-I383 PolarHBondContact O-N 2.95Å |
| 380 | K | 89.2 | Confident | 76.5 | Confident | 104 Ų | 104 | 52.6 Ų | 52.6 | 45% | 0.452 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 175.2 | -80.2 | -168.9 | 168 | 102.6 | 0 | 112.8 | E257 T378 I383 S384 | E257-K380 WeakPolarHBondContact OE1-CE 3.25Å; E257-K380 IonicContact OE1-NZ 2.86Å; E257-K380 PolarHBondContact OE1-NZ 3.43Å; E257-K380 VanDerWaalsContact OE2-CE 3.22Å; E257-K380 WeakPolarHBondContact OE2-CE 3.3Å; E257-K380 IonicContact OE2-NZ 3.79Å; E257-K380 PolarHBondContact OE2-NZ 3.06Å; T378-K380 VanDerWaalsContact C-N 3.28Å; T378-K380 PolarHBondContact O-N 3.28Å; K380-I383 WeakPolarHBondContact O-CG2 3.21Å; K380-S384 PolarHBondContact O-N 3.45Å; K380-S384 VanDerWaalsContact O-N 3.14Å; K380-S384 PolarHBondContact O-OG 2.93Å |
| 381 | E | 88 | Confident | 75.6 | Confident | 91 Ų | 91 | 49.9 Ų | 49.9 | 43% | 0.425 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.9 | -40 | 174.4 | -70.8 | 157.3 | 150.4 | 0 | 0 | 111.3 | L377 T378 W379 S384 L385 | L377-E381 HydrophobicContact CB-CB 4.09Å; L377-E381 HydrophobicContact CD2-CB 4.15Å; T378-E381 VanDerWaalsContact CB-OE2 3.31Å; T378-E381 WeakPolarHBondContact CB-OE2 3.41Å; T378-E381 WeakPolarHBondContact CG2-OE2 3.37Å; T378-E381 PolarHBondContact N-OE2 3.43Å; T378-E381 PolarHBondContact O-N 3.4Å; T378-E381 VanDerWaalsContact OG1-CG 3.31Å; T378-E381 WeakPolarHBondContact OG1-CG 3.12Å; T378-E381 PolarHBondContact OG1-N 2.78Å; T378-E381 PolarHBondContact OG1-OE2 3.05Å; W379-E381 PolarHBondContact O-N 3.35Å; E381-S384 PolarHBondContact O-N 3.26Å; E381-S384 PolarHBondContact O-OG 3.44Å; E381-L385 WeakPolarHBondContact O-CG 3.39Å; E381-L385 PolarHBondContact O-N 2.83Å |
| 382 | L | 88.7 | Confident | 74.6 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 174.7 | -78.3 | -173.4 | 0 | 0 | 0 | 113.4 | L308 F312 L374 L377 T378 W379 L385 | L308-L382 HydrophobicContact CD1-CD2 3.94Å; F312-L382 HydrophobicContact CD1-CD1 4.3Å; F312-L382 HydrophobicContact CE1-CB 3.9Å; F312-L382 HydrophobicContact CE1-CD1 4.06Å; F312-L382 HydrophobicContact CE2-CB 4.38Å; F312-L382 HydrophobicContact CZ-CB 3.64Å; F312-L382 HydrophobicContact CZ-CD1 4.42Å; L374-L382 HydrophobicContact CD2-CD2 4.28Å; L377-L382 HydrophobicContact CB-CD2 4.13Å; L377-L382 HydrophobicContact CB-CG 4.1Å; L377-L382 HydrophobicContact CD1-CD2 3.83Å; T378-L382 PolarHBondContact O-N 3.33Å; W379-L382 PolarHBondContact O-N 3.24Å; L382-L385 HydrophobicContact CD2-CD1 4.3Å; L382-L385 WeakPolarHBondContact O-CB 3.39Å; L382-L385 PolarHBondContact O-N 3.34Å |
| 383 | I | 90.8 | Very high | 73.3 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -72 | -36.1 | 179.7 | -156.1 | 69.5 | 0 | 0 | 0 | 111 | I254 Y289 F312 W379 K380 L385 T386 | I254-I383 HydrophobicContact CD1-CG2 4.43Å; Y289-I383 HydrophobicContact CD1-CD1 3.63Å; Y289-I383 HydrophobicContact CD1-CG1 4.5Å; Y289-I383 HydrophobicContact CE1-CD1 4.13Å; F312-I383 HydrophobicContact CZ-CD1 4.05Å; W379-I383 HydrophobicContact CE3-CB 4.43Å; W379-I383 HydrophobicContact CE3-CG2 4.12Å; W379-I383 HydrophobicContact CH2-CB 3.94Å; W379-I383 HydrophobicContact CH2-CD1 4.36Å; W379-I383 HydrophobicContact CH2-CG1 3.88Å; W379-I383 HydrophobicContact CH2-CG2 3.88Å; W379-I383 HydrophobicContact CZ2-CB 4.04Å; W379-I383 HydrophobicContact CZ2-CD1 3.94Å; W379-I383 HydrophobicContact CZ2-CG1 3.95Å; W379-I383 HydrophobicContact CZ2-CG2 4.46Å; W379-I383 HydrophobicContact CZ3-CB 4.15Å; W379-I383 HydrophobicContact CZ3-CG2 3.69Å; W379-I383 PolarHBondContact O-N 2.95Å; K380-I383 WeakPolarHBondContact O-CG2 3.21Å; I383-L385 PolarHBondContact O-N 3.27Å; I383-T386 HydrophobicContact CD1-CG2 4.41Å; I383-T386 WeakPolarHBondContact O-CB 3.45Å; I383-T386 PolarHBondContact O-N 2.97Å; I383-T386 PolarHBondContact O-OG1 3.45Å |
| 384 | S | 86.7 | Confident | 71.7 | Confident | 51 Ų | 51 | 64.1 Ų | 64.1 | 36% | 0.357 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.1 | -23.7 | 177.5 | 68 | 0 | 0 | 0 | 0 | 113.5 | K380 E381 T386 D387 | K380-S384 PolarHBondContact O-N 3.45Å; K380-S384 VanDerWaalsContact O-N 3.14Å; K380-S384 PolarHBondContact O-OG 2.93Å; E381-S384 PolarHBondContact O-N 3.26Å; E381-S384 PolarHBondContact O-OG 3.44Å; S384-T386 PolarHBondContact O-N 3.01Å; S384-D387 PolarHBondContact O-N 2.76Å |
| 385 | L | 84.1 | Confident | 70.6 | Confident | 14 Ų | 14 | 68 Ų | 68 | 7% | 0.073 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -18.7 | 170.1 | -70.7 | 179.7 | 0 | 0 | 0 | 113.8 | F304 L308 L374 L377 E381 L382 I383 Y399 | F304-L385 HydrophobicContact CZ-CB 4.13Å; F304-L385 HydrophobicContact CZ-CD1 4.4Å; L308-L385 HydrophobicContact CD1-CB 4.4Å; L308-L385 HydrophobicContact CD1-CD1 4.31Å; L308-L385 HydrophobicContact CD2-CB 4.04Å; L374-L385 HydrophobicContact CD2-CD1 3.82Å; L377-L385 HydrophobicContact CD1-CD1 3.84Å; E381-L385 WeakPolarHBondContact O-CG 3.39Å; E381-L385 PolarHBondContact O-N 2.83Å; L382-L385 HydrophobicContact CD2-CD1 4.3Å; L382-L385 WeakPolarHBondContact O-CB 3.39Å; L382-L385 PolarHBondContact O-N 3.34Å; I383-L385 PolarHBondContact O-N 3.27Å; L385-Y399 HydrophobicContact CD2-CE2 4.11Å |
| 386 | T | 82.9 | Confident | 69.5 | Low | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -18.3 | 177.1 | 66.9 | 0 | 0 | 0 | 0 | 113.9 | Y289 A290 L308 I383 S384 G388 | Y289-T386 HydrophobicContact CD1-CG2 4.34Å; Y289-T386 HydrophobicContact CE1-CG2 4.37Å; Y289-T386 VanDerWaalsContact CE1-OG1 3.29Å; Y289-T386 WeakPolarHBondContact CE1-OG1 3.38Å; A290-T386 HydrophobicContact CB-CG2 3.97Å; L308-T386 HydrophobicContact CD2-CG2 3.6Å; I383-T386 HydrophobicContact CD1-CG2 4.41Å; I383-T386 WeakPolarHBondContact O-CB 3.45Å; I383-T386 PolarHBondContact O-N 2.97Å; I383-T386 PolarHBondContact O-OG1 3.45Å; S384-T386 PolarHBondContact O-N 3.01Å; T386-G388 VanDerWaalsContact C-N 3.3Å; T386-G388 PolarHBondContact O-N 3.29Å |
| 387 | D | 74.4 | Confident | 68.4 | Low | 62 Ų | 62 | 71.1 Ų | 71.1 | 33% | 0.332 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -82.3 | -8.5 | -171.7 | -64.4 | -40.5 | 0 | 0 | 0 | 113 | H250 S384 V389 | H250-D387 IonicContact CE1-OD1 2.93Å; H250-D387 IonicContact CE1-OD2 2.72Å; H250-D387 IonicContact ND1-OD1 3.7Å; S384-D387 PolarHBondContact O-N 2.76Å; D387-V389 HydrophobicContact CB-CG2 4.39Å; D387-V389 PolarHBondContact O-N 2.72Å; D387-V389 VanDerWaalsContact O-N 3.1Å |
| 388 | G | 60.1 | Low | 67.1 | Low | 53 Ų | 53 | 72 Ų | 72 | 55% | 0.546 | 40% | 0.402 | S | S | . | . | trans | 73.3 | -6.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | T386 M390 | T386-G388 VanDerWaalsContact C-N 3.3Å; T386-G388 PolarHBondContact O-N 3.29Å; G388-M390 PolarHBondContact O-N 2.94Å | ||
| 389 | V | 45.1 | Very low | 66 | Low | 125 Ų | 125 | 69.3 Ų | 69.3 | 76% | 0.758 | 38% | 0.383 | S | S | * | . | trans | -67.7 | -5.8 | -176.8 | -176.7 | 0 | 0 | 0 | 0 | 113.6 | D387 S391 | D387-V389 HydrophobicContact CB-CG2 4.39Å; D387-V389 PolarHBondContact O-N 2.72Å; D387-V389 VanDerWaalsContact O-N 3.1Å; V389-S391 PolarHBondContact O-N 3.05Å | ||
| 390 | M | 37.9 | Very low | 64.8 | Low | 76 Ų | 76 | 72.7 Ų | 72.7 | 37% | 0.374 | 40% | 0.396 | S | S | . | . | trans | -82 | 45.8 | -179.1 | -62 | -68.2 | -91.5 | 0 | 0 | 113 | G388 F394 | G388-M390 PolarHBondContact O-N 2.94Å; M390-F394 HydrophobicContact CE-CB 4.07Å; M390-F394 HydrophobicContact CE-CD2 3.43Å; M390-F394 VanDerWaalsContact CE-CD2 3.43Å; M390-F394 HydrophobicContact CE-CE2 4.19Å; M390-F394 HydrophobicContact CE-CG 4.03Å | ||
| 391 | S | 38.8 | Very low | 63.5 | Low | 106 Ų | 106 | 70 Ų | 70 | 74% | 0.741 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -87.5 | -0.6 | -173.6 | 82.7 | 0 | 0 | 0 | 0 | 116.2 | V389 | V389-S391 PolarHBondContact O-N 3.05Š|
| 392 | E | 46 | Very low | 62.1 | Low | 173 Ų | 173 | 67.6 Ų | 67.6 | 81% | 0.808 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -133.6 | -39.1 | 178.3 | -68.2 | -169.3 | 163.1 | 0 | 0 | 115.1 | ||
| 393 | N | 44.7 | Very low | 60.5 | Low | 137 Ų | 137 | 70.9 Ų | 70.9 | 73% | 0.733 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -89 | -21.8 | -168.2 | -71.9 | -46.6 | 0 | 0 | 0 | 115.8 | ||
| 394 | F | 45.5 | Very low | 58.5 | Low | 90 Ų | 90 | 75.5 Ų | 75.5 | 40% | 0.395 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -145.7 | 91.4 | -178.7 | -66 | -89.3 | 0 | 0 | 0 | 110.1 | M390 T398 Y399 | M390-F394 HydrophobicContact CE-CB 4.07Å; M390-F394 HydrophobicContact CE-CD2 3.43Å; M390-F394 VanDerWaalsContact CE-CD2 3.43Å; M390-F394 HydrophobicContact CE-CE2 4.19Å; M390-F394 HydrophobicContact CE-CG 4.03Å; F394-T398 HydrophobicContact CD1-CG2 4.26Å; F394-Y399 HydrophobicContact CB-CE2 4.34Å |
| 395 | P | 53.9 | Low | 56.6 | Low | 83 Ų | 83 | 76.2 Ų | 76.2 | 54% | 0.539 | 44% | 0.438 | S | S | . | . | trans | -60.6 | 151.9 | 174.7 | 25.2 | -33.3 | 0 | 0 | 0 | 110.8 | D397 T398 | P395-D397 PolarHBondContact O-N 3.37Å; P395-D397 VanDerWaalsContact O-N 3.1Å; P395-T398 WeakPolarHBondContact CD-OG1 3.35Å; P395-T398 WeakPolarHBondContact O-CB 3.47Å; P395-T398 PolarHBondContact O-N 3.31Å; P395-T398 PolarHBondContact O-OG1 2.9Å | ||
| 396 | L | 55.4 | Low | 54.4 | Low | 86 Ų | 86 | 82.8 Ų | 82.8 | 45% | 0.45 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -52 | -35.8 | -177.9 | -75.3 | 161.2 | 0 | 0 | 0 | 113.4 | F304 T398 Y399 | F304-L396 HydrophobicContact CB-CD2 3.94Å; F304-L396 HydrophobicContact CD1-CD2 3.76Å; F304-L396 HydrophobicContact CD2-CD2 3.32Å; F304-L396 HydrophobicContact CE1-CD2 4.02Å; F304-L396 HydrophobicContact CE2-CD2 3.59Å; F304-L396 HydrophobicContact CG-CD2 3.38Å; F304-L396 HydrophobicContact CZ-CD2 3.92Å; L396-T398 PolarHBondContact O-N 3.33Å; L396-Y399 PolarHBondContact O-N 3.02Å; L396-Y399 VanDerWaalsContact O-N 3.08Å |
| 397 | D | 58.3 | Low | 52.2 | Low | 120 Ų | 120 | 91.8 Ų | 91.8 | 64% | 0.642 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -52.4 | -16.3 | 171 | -83.8 | 29.4 | 0 | 0 | 0 | 115.6 | K368 P395 Y399 | K368-D397 IonicContact NZ-OD2 3.77Å; P395-D397 PolarHBondContact O-N 3.37Å; P395-D397 VanDerWaalsContact O-N 3.1Å; D397-Y399 VanDerWaalsContact C-N 3.29Å |
| 398 | T | 59.4 | Low | 50.4 | Low | 40 Ų | 40 | 94 Ų | 94 | 25% | 0.245 | 52% | 0.523 | C | S | . | . | G | 310 helix | trans | -77 | -16.8 | 178.9 | -40.7 | 0 | 0 | 0 | 0 | 112.1 | A371 I372 F394 P395 L396 | A371-T398 CarbonylContact C-O 3.51Å; A371-T398 WeakPolarHBondContact CA-O 3.34Å; A371-T398 WeakPolarHBondContact CB-O 3.21Å; I372-T398 HydrophobicContact CD1-CG2 4.18Å; I372-T398 HydrophobicContact CG1-CG2 4.47Å; I372-T398 PolarHBondContact N-O 3.24Å; F394-T398 HydrophobicContact CD1-CG2 4.26Å; P395-T398 WeakPolarHBondContact CD-OG1 3.35Å; P395-T398 WeakPolarHBondContact O-CB 3.47Å; P395-T398 PolarHBondContact O-N 3.31Å; P395-T398 PolarHBondContact O-OG1 2.9Å; L396-T398 PolarHBondContact O-N 3.33Å |
| 399 | Y | 64.2 | Low | 49 | Very low | 19 Ų | 19 | 97.2 Ų | 97.2 | 8% | 0.075 | 54% | 0.537 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 138.3 | -175.5 | -61.1 | -77.6 | 0 | 0 | 0 | 112.6 | I372 L374 L377 L385 F394 L396 D397 | I372-Y399 HydrophobicContact CB-CD1 4.25Å; I372-Y399 CarbonylContact O-C 3.55Å; I372-Y399 WeakPolarHBondContact O-CA 3.28Å; L374-Y399 HydrophobicContact CD2-CD1 3.73Å; L374-Y399 HydrophobicContact CD2-CG 4.02Å; L377-Y399 HydrophobicContact CD1-CD1 4.34Å; L377-Y399 HydrophobicContact CD1-CE1 4.09Å; L385-Y399 HydrophobicContact CD2-CE2 4.11Å; F394-Y399 HydrophobicContact CB-CE2 4.34Å; L396-Y399 PolarHBondContact O-N 3.02Å; L396-Y399 VanDerWaalsContact O-N 3.08Å; D397-Y399 VanDerWaalsContact C-N 3.29Å |
| 400 | R | 66.4 | Low | 48.6 | Very low | 93 Ų | 93 | 99.2 Ų | 99.2 | 35% | 0.351 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 128.8 | 178.4 | 178.7 | 175.7 | 164.6 | 141.8 | 8.6 | 110.2 | A371 I372 L374 D402 | A371-R400 HydrophobicContact CB-CB 3.78Å; A371-R400 WeakPolarHBondContact O-CB 3.24Å; I372-R400 PolarHBondContact O-N 3.14Å; L374-R400 PolarHBondContact N-O 2.89Å; L374-R400 VanDerWaalsContact N-O 3.16Å; R400-D402 IonicContact CZ-OD1 3.97Å; R400-D402 IonicContact NE-OD1 3.39Å; R400-D402 PolarHBondContact NE-OD1 2.77Å; R400-D402 IonicContact NH2-OD1 3.96Å |
| 401 | F | 62.9 | Low | 48.4 | Very low | 46 Ų | 46 | 101 Ų | 101 | 20% | 0.202 | 55% | 0.551 | C | S | . | * | trans | -87.7 | 108.4 | 172.8 | -49.9 | -66 | 0 | 0 | 0 | 109.3 | F307 L374 T403 | F307-F401 HydrophobicContact CB-CD1 3.59Å; F307-F401 HydrophobicContact CB-CE1 3.36Å; F307-F401 HydrophobicContact CB-CZ 4.22Å; F307-F401 HydrophobicContact CD1-CB 3.8Å; F307-F401 AromaticContact CD1-CD1 3.18Å; F307-F401 HydrophobicContact CD1-CD1 3.18Å; F307-F401 HydrophobicContact CD1-CD2 4.07Å; F307-F401 AromaticContact CD1-CE1 3.72Å; F307-F401 HydrophobicContact CD1-CE1 3.72Å; F307-F401 AromaticContact CD1-CG 3.39Å; F307-F401 HydrophobicContact CD1-CG 3.39Å; F307-F401 HydrophobicContact CD1-CZ 4.35Å; F307-F401 AromaticContact CD2-CD1 3.94Å; F307-F401 HydrophobicContact CD2-CD1 3.94Å; F307-F401 HydrophobicContact CD2-CD2 4.28Å; F307-F401 AromaticContact CD2-CE1 3.59Å; F307-F401 HydrophobicContact CD2-CE1 3.59Å; F307-F401 AromaticContact CD2-CE2 3.95Å; F307-F401 HydrophobicContact CD2-CE2 3.95Å; F307-F401 HydrophobicContact CD2-CG 4.28Å; F307-F401 AromaticContact CD2-CZ 3.59Å; F307-F401 HydrophobicContact CD2-CZ 3.59Å; F307-F401 HydrophobicContact CE1-CB 3.53Å; F307-F401 AromaticContact CE1-CD1 3.66Å; F307-F401 HydrophobicContact CE1-CD1 3.66Å; F307-F401 AromaticContact CE1-CD2 3.66Å; F307-F401 HydrophobicContact CE1-CD2 3.66Å; F307-F401 HydrophobicContact CE1-CE1 4.29Å; F307-F401 HydrophobicContact CE1-CE2 4.29Å; F307-F401 AromaticContact CE1-CG 3.3Å; F307-F401 HydrophobicContact CE1-CG 3.3Å; F307-F401 HydrophobicContact CE2-CD1 4.36Å; F307-F401 AromaticContact CE2-CD2 3.92Å; F307-F401 HydrophobicContact CE2-CD2 3.92Å; F307-F401 HydrophobicContact CE2-CE1 4.2Å; F307-F401 AromaticContact CE2-CE2 3.75Å; F307-F401 HydrophobicContact CE2-CE2 3.75Å; F307-F401 HydrophobicContact CE2-CG 4.23Å; F307-F401 AromaticContact CE2-CZ 3.9Å; F307-F401 HydrophobicContact CE2-CZ 3.9Å; F307-F401 AromaticContact CG-CD1 3.33Å; F307-F401 HydrophobicContact CG-CD1 3.33Å; F307-F401 HydrophobicContact CG-CD2 4.34Å; F307-F401 AromaticContact CG-CE1 3.3Å; F307-F401 HydrophobicContact CG-CE1 3.3Å; F307-F401 HydrophobicContact CG-CE2 4.33Å; F307-F401 AromaticContact CG-CG 3.88Å; F307-F401 HydrophobicContact CG-CG 3.88Å; F307-F401 AromaticContact CG-CZ 3.84Å; F307-F401 HydrophobicContact CG-CZ 3.84Å; F307-F401 HydrophobicContact CZ-CB 4.31Å; F307-F401 HydrophobicContact CZ-CD1 4.23Å; F307-F401 AromaticContact CZ-CD2 3.6Å; F307-F401 HydrophobicContact CZ-CD2 3.6Å; F307-F401 AromaticContact CZ-CE2 3.93Å; F307-F401 HydrophobicContact CZ-CE2 3.93Å; F307-F401 AromaticContact CZ-CG 3.77Å; F307-F401 HydrophobicContact CZ-CG 3.77Å; F307-F401 HydrophobicContact CZ-CZ 4.38Å; L374-F401 HydrophobicContact CD1-CD1 3.64Å; L374-F401 HydrophobicContact CD1-CE1 3.61Å; F401-T403 PolarHBondContact O-N 2.87Å | ||
| 402 | D | 58.9 | Low | 48.7 | Very low | 42 Ų | 42 | 100.2 Ų | 100.2 | 23% | 0.225 | 54% | 0.535 | C | S | . | . | trans | -89.6 | 87.2 | 177.7 | -78 | -27.8 | 0 | 0 | 0 | 110.9 | S373 R400 V404 | S373-D402 WeakPolarHBondContact CB-OD2 3.27Å; S373-D402 PolarHBondContact OG-OD2 3.48Å; R400-D402 IonicContact CZ-OD1 3.97Å; R400-D402 IonicContact NE-OD1 3.39Å; R400-D402 PolarHBondContact NE-OD1 2.77Å; R400-D402 IonicContact NH2-OD1 3.96Å; D402-V404 PolarHBondContact O-N 3.29Å; D402-V404 VanDerWaalsContact O-N 3.15Å | ||
| 403 | T | 53.4 | Low | 48.5 | Very low | 68 Ų | 68 | 98.9 Ų | 98.9 | 42% | 0.417 | 53% | 0.528 | S | S | . | . | trans | -64.7 | 107 | 163.6 | 52.1 | 0 | 0 | 0 | 0 | 109 | L361 F401 G405 | L361-T403 HydrophobicContact CB-CG2 4.08Å; F401-T403 PolarHBondContact O-N 2.87Å; T403-G405 PolarHBondContact O-N 2.98Å; T403-G405 VanDerWaalsContact O-N 3.15Å | ||
| 404 | V | 49.7 | Very low | 48.4 | Very low | 102 Ų | 102 | 94.5 Ų | 94.5 | 62% | 0.618 | 50% | 0.504 | S | S | * | . | trans | -66.9 | 114.5 | 178.2 | 173.1 | 0 | 0 | 0 | 0 | 109.3 | D402 Q406 | D402-V404 PolarHBondContact O-N 3.29Å; D402-V404 VanDerWaalsContact O-N 3.15Å; V404-Q406 PolarHBondContact O-N 3.36Å; V404-Q406 VanDerWaalsContact O-N 3.09Å | ||
| 405 | G | 46.9 | Very low | 48.2 | Very low | 65 Ų | 65 | 96.3 Ų | 96.3 | 67% | 0.67 | 51% | 0.513 | S | S | * | . | trans | -55 | 112.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T403 K407 | T403-G405 PolarHBondContact O-N 2.98Å; T403-G405 VanDerWaalsContact O-N 3.15Å; G405-K407 PolarHBondContact O-N 3.42Å; G405-K407 VanDerWaalsContact O-N 3.1Å | ||
| 406 | Q | 37.4 | Very low | 48 | Very low | 152 Ų | 152 | 95.1 Ų | 95.1 | 71% | 0.71 | 52% | 0.516 | S | S | * | . | S | Bend | trans | 7.2 | 82.7 | 162.9 | -63.2 | 178.9 | -2.9 | 0 | 0 | 116.8 | D362 V404 | D362-Q406 PolarHBondContact OD2-NE2 2.88Å; V404-Q406 PolarHBondContact O-N 3.36Å; V404-Q406 VanDerWaalsContact O-N 3.09Å |
| 407 | K | 37.1 | Very low | 48.2 | Very low | 190 Ų | 190 | 92.4 Ų | 92.4 | 83% | 0.826 | 50% | 0.504 | S | S | * | . | trans | -121.6 | 8.2 | 155.1 | -81.9 | -169.6 | 176.5 | 178.7 | 0 | 113.8 | G405 S409 | G405-K407 PolarHBondContact O-N 3.42Å; G405-K407 VanDerWaalsContact O-N 3.1Å; K407-S409 VanDerWaalsContact C-N 3.3Å; K407-S409 PolarHBondContact O-N 3.43Å | ||
| 408 | T | 36.3 | Very low | 48.7 | Very low | 108 Ų | 108 | 86.9 Ų | 86.9 | 66% | 0.663 | 48% | 0.475 | S | S | * | . | trans | -90.4 | 21.8 | 177.7 | 45.3 | 0 | 0 | 0 | 0 | 113.6 | K410 | T408-K410 PolarHBondContact O-N 3.12Š| ||
| 409 | S | 31.9 | Very low | 49.1 | Very low | 120 Ų | 120 | 87.1 Ų | 87.1 | 84% | 0.839 | 48% | 0.475 | S | S | * | . | trans | -82.6 | 14.9 | 164.1 | -169.3 | 0 | 0 | 0 | 0 | 113 | K407 T411 | K407-S409 VanDerWaalsContact C-N 3.3Å; K407-S409 PolarHBondContact O-N 3.43Å; S409-T411 PolarHBondContact O-N 3.41Å; S409-T411 VanDerWaalsContact O-N 3.13Å | ||
| 410 | K | 34.9 | Very low | 49.4 | Very low | 167 Ų | 167 | 88 Ų | 88 | 73% | 0.726 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -63.8 | 110.9 | 152.1 | -73 | -173.2 | 178 | -175.9 | 0 | 106.1 | T408 F412 | T408-K410 PolarHBondContact O-N 3.12Å; K410-F412 PolarHBondContact O-N 3.2Å |
| 411 | T | 34.8 | Very low | 49.8 | Very low | 114 Ų | 114 | 84.5 Ų | 84.5 | 70% | 0.699 | 47% | 0.466 | S | S | * | . | trans | -37.7 | 129.8 | 159.1 | 39.6 | 0 | 0 | 0 | 0 | 108.5 | S409 E413 | S409-T411 PolarHBondContact O-N 3.41Å; S409-T411 VanDerWaalsContact O-N 3.13Å; T411-E413 PolarHBondContact O-N 2.7Å | ||
| 412 | F | 44.1 | Very low | 50.2 | Low | 90 Ų | 90 | 82.5 Ų | 82.5 | 40% | 0.395 | 46% | 0.458 | S | S | . | . | trans | -66.6 | 76.1 | -175.2 | -163 | -81.7 | 0 | 0 | 0 | 109.8 | T351 Y352 K410 M414 | T351-F412 HydrophobicContact CG2-CE2 3.83Å; Y352-F412 HydrophobicContact CD2-CZ 4.15Å; Y352-F412 HydrophobicContact CE1-CD2 4.44Å; Y352-F412 HydrophobicContact CE1-CE1 4.37Å; Y352-F412 HydrophobicContact CE1-CE2 4.21Å; Y352-F412 HydrophobicContact CE1-CZ 4.18Å; Y352-F412 AromaticContact CE2-CE1 3.75Å; Y352-F412 HydrophobicContact CE2-CE1 3.75Å; Y352-F412 HydrophobicContact CE2-CE2 4.25Å; Y352-F412 AromaticContact CE2-CZ 3.52Å; Y352-F412 HydrophobicContact CE2-CZ 3.52Å; Y352-F412 AromaticContact CZ-CD1 3.95Å; Y352-F412 AromaticContact CZ-CE1 3.49Å; Y352-F412 VanDerWaalsContact CZ-CE1 3.49Å; Y352-F412 AromaticContact CZ-CZ 3.53Å; Y352-F412 VanDerWaalsContact OH-CD1 3.29Å; Y352-F412 WeakPolarHBondContact OH-CD1 3.3Å; Y352-F412 WeakPolarHBondContact OH-CE1 3.41Å; K410-F412 PolarHBondContact O-N 3.2Å; F412-M414 PolarHBondContact O-N 3.37Å; F412-M414 VanDerWaalsContact O-N 3.16Å | ||
| 413 | E | 41.9 | Very low | 50.7 | Low | 144 Ų | 144 | 83.9 Ų | 83.9 | 67% | 0.673 | 47% | 0.468 | S | S | * | . | trans | -60.8 | 116.7 | 165 | -71.5 | -171.8 | 159.4 | 0 | 0 | 105.6 | T411 H415 | T411-E413 PolarHBondContact O-N 2.7Å; E413-H415 VanDerWaalsContact C-N 3.26Å; E413-H415 PolarHBondContact O-N 2.8Å | ||
| 414 | M | 44 | Very low | 51.7 | Low | 46 Ų | 46 | 81 Ų | 81 | 23% | 0.227 | 45% | 0.45 | C | S | . | . | trans | -53.9 | 91.4 | 177.9 | -68.2 | -97.9 | -80.1 | 0 | 0 | 108.9 | F412 G416 L418 L422 F458 | F412-M414 PolarHBondContact O-N 3.37Å; F412-M414 VanDerWaalsContact O-N 3.16Å; M414-G416 PolarHBondContact O-N 2.66Å; M414-L418 HydrophobicContact CE-CD2 4.05Å; M414-L418 HydrophobicContact SD-CD2 3.74Å; M414-L422 HydrophobicContact CE-CD1 3.74Å; M414-F458 HydrophobicContact CE-CE2 3.82Å; M414-F458 HydrophobicContact SD-CD2 4.46Å; M414-F458 HydrophobicContact SD-CE2 3.85Å | ||
| 415 | H | 40.9 | Very low | 52.7 | Low | 127 Ų | 127 | 77.5 Ų | 77.5 | 59% | 0.588 | 43% | 0.43 | S | S | * | . | trans | -59.9 | 138 | -174.1 | -83.3 | -55.8 | 0 | 0 | 0 | 109 | E413 S417 L418 | E413-H415 VanDerWaalsContact C-N 3.26Å; E413-H415 PolarHBondContact O-N 2.8Å; H415-S417 PolarHBondContact O-N 3.01Å; H415-L418 PolarHBondContact O-N 2.82Å | ||
| 416 | G | 49.9 | Very low | 54.1 | Low | 58 Ų | 58 | 78.9 Ų | 78.9 | 60% | 0.598 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -3.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | M414 | M414-G416 PolarHBondContact O-N 2.66Š|
| 417 | S | 58.2 | Low | 56.4 | Low | 29 Ų | 29 | 71.7 Ų | 71.7 | 20% | 0.203 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -37.9 | 169.1 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | H321 S344 H415 D419 E420 | H321-S417 PolarHBondContact CE1-OG 3.32Å; H321-S417 WeakPolarHBondContact NE2-CB 3.42Å; H321-S417 PolarHBondContact NE2-OG 3.22Å; S344-S417 WeakPolarHBondContact CB-O 2.99Å; S344-S417 PolarHBondContact OG-O 3.19Å; H415-S417 PolarHBondContact O-N 3.01Å; S417-D419 PolarHBondContact O-N 3.33Å; S417-E420 PolarHBondContact O-N 3.12Å |
| 418 | L | 69.7 | Low | 59 | Low | 5 Ų | 5 | 62.7 Ų | 62.7 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -27.7 | -178.9 | -178.9 | 59.2 | 0 | 0 | 0 | 112.3 | A348 M414 H415 E420 Y421 L422 L430 I434 | A348-L418 HydrophobicContact CB-CD1 3.97Å; M414-L418 HydrophobicContact CE-CD2 4.05Å; M414-L418 HydrophobicContact SD-CD2 3.74Å; H415-L418 PolarHBondContact O-N 2.82Å; L418-E420 VanDerWaalsContact C-N 3.27Å; L418-E420 PolarHBondContact O-N 3.3Å; L418-Y421 PolarHBondContact O-N 3.13Å; L418-L422 HydrophobicContact CD1-CD2 4.49Å; L418-L422 HydrophobicContact CD1-CG 4.19Å; L418-L422 HydrophobicContact CD2-CD1 4.13Å; L418-L422 HydrophobicContact CG-CD1 3.8Å; L418-L422 HydrophobicContact CG-CG 3.92Å; L418-L422 WeakPolarHBondContact O-CG 3.31Å; L418-L422 PolarHBondContact O-N 3.38Å; L418-L430 HydrophobicContact CD1-CD2 3.87Å; L418-I434 HydrophobicContact CD1-CD1 4.03Å; L418-I434 HydrophobicContact CD2-CD1 3.82Å |
| 419 | D | 68.2 | Low | 61.7 | Low | 45 Ų | 45 | 58.6 Ų | 58.6 | 24% | 0.241 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.8 | -34.4 | -179.1 | -63.1 | -22.5 | 0 | 0 | 0 | 112.7 | S417 Y421 L422 T423 K465 | S417-D419 PolarHBondContact O-N 3.33Å; D419-Y421 PolarHBondContact O-N 2.82Å; D419-L422 PolarHBondContact O-N 2.93Å; D419-T423 WeakPolarHBondContact O-CG2 3.43Å; D419-T423 PolarHBondContact O-N 3.23Å; D419-T423 PolarHBondContact O-OG1 3.47Å; D419-K465 VanDerWaalsContact CG-CE 3.44Å; D419-K465 WeakPolarHBondContact OD1-CE 3.47Å; D419-K465 IonicContact OD1-NZ 2.78Å; D419-K465 PolarHBondContact OD1-NZ 2.99Å; D419-K465 WeakPolarHBondContact OD2-CE 3.46Å; D419-K465 IonicContact OD2-NZ 3.56Å; D419-K465 PolarHBondContact OD2-NZ 3.27Å |
| 420 | E | 70.7 | Confident | 64.5 | Low | 37 Ų | 37 | 52.9 Ų | 52.9 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.7 | -24.1 | 176.6 | -166.5 | 169 | 172.9 | 0 | 0 | 112.2 | H337 R340 S417 L418 T423 | H337-E420 IonicContact CD2-OE1 2.62Å; H337-E420 PolarHBondContact CD2-OE1 2.78Å; H337-E420 IonicContact NE2-OE1 3.16Å; R340-E420 WeakPolarHBondContact CD-OE1 3.21Å; R340-E420 VanDerWaalsContact CD-OE2 3.28Å; R340-E420 WeakPolarHBondContact CD-OE2 3.21Å; R340-E420 WeakPolarHBondContact CG-OE2 3.35Å; R340-E420 IonicContact CZ-OE2 2.86Å; R340-E420 IonicContact NE-OE2 3.3Å; R340-E420 IonicContact NH1-OE1 2.66Å; R340-E420 IonicContact NH1-OE2 2.65Å; R340-E420 PolarHBondContact NH1-OE2 2.7Å; S417-E420 PolarHBondContact O-N 3.12Å; L418-E420 VanDerWaalsContact C-N 3.27Å; L418-E420 PolarHBondContact O-N 3.3Å; E420-T423 PolarHBondContact O-OG1 2.85Å |
| 421 | Y | 73.1 | Confident | 67.1 | Low | 19 Ų | 19 | 45 Ų | 45 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -87.2 | -40.2 | 171.1 | -171.8 | -84.6 | 0 | 0 | 0 | 112.6 | R341 L418 D419 T423 S424 C427 L430 | R341-Y421 HydrophobicContact CG-CD2 3.74Å; R341-Y421 HydrophobicContact CG-CG 4.37Å; R341-Y421 WeakPolarHBondContact O-CD2 3.46Å; L418-Y421 PolarHBondContact O-N 3.13Å; D419-Y421 PolarHBondContact O-N 2.82Å; Y421-T423 PolarHBondContact O-N 3.38Å; Y421-S424 WeakPolarHBondContact O-CB 3.48Å; Y421-S424 PolarHBondContact O-N 3.36Å; Y421-C427 HydrophobicContact CD1-CB 3.95Å; Y421-C427 HydrophobicContact CE1-CB 3.78Å; Y421-C427 WeakPolarHBondContact O-CB 3.16Å; Y421-L430 HydrophobicContact CD1-CB 4.28Å; Y421-L430 HydrophobicContact CD1-CD2 3.3Å; Y421-L430 HydrophobicContact CD1-CG 4.4Å; Y421-L430 HydrophobicContact CE1-CB 3.6Å; Y421-L430 HydrophobicContact CE1-CD2 3.41Å; Y421-L430 VanDerWaalsContact CE1-CD2 3.41Å; Y421-L430 HydrophobicContact CE1-CG 4.12Å; Y421-L430 HydrophobicContact CG-CD2 4.06Å |
| 422 | L | 72.5 | Confident | 69.9 | Low | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.4 | -25.2 | -176.1 | -67.1 | 174.8 | 0 | 0 | 0 | 112.9 | M414 L418 D419 S424 C427 I431 L466 | M414-L422 HydrophobicContact CE-CD1 3.74Å; L418-L422 HydrophobicContact CD1-CD2 4.49Å; L418-L422 HydrophobicContact CD1-CG 4.19Å; L418-L422 HydrophobicContact CD2-CD1 4.13Å; L418-L422 HydrophobicContact CG-CD1 3.8Å; L418-L422 HydrophobicContact CG-CG 3.92Å; L418-L422 WeakPolarHBondContact O-CG 3.31Å; L418-L422 PolarHBondContact O-N 3.38Å; D419-L422 PolarHBondContact O-N 2.93Å; L422-S424 PolarHBondContact O-N 3.36Å; L422-C427 PolarHBondContact O-SG 2.94Å; L422-I431 HydrophobicContact CD2-CD1 4.18Å; L422-I431 HydrophobicContact CD2-CG1 3.59Å; L422-L466 VanDerWaalsContact C-CD2 3.47Å; L422-L466 HydrophobicContact CB-CD1 4.38Å; L422-L466 HydrophobicContact CB-CD2 3.83Å; L422-L466 HydrophobicContact CB-CG 4.46Å; L422-L466 WeakPolarHBondContact O-CD2 3.39Å |
| 423 | T | 69.5 | Low | 72.2 | Confident | 71 Ų | 71 | 35.3 Ų | 35.3 | 44% | 0.436 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -8.4 | 171.6 | 50.4 | 0 | 0 | 0 | 0 | 114.2 | D419 E420 Y421 L466 L575 | D419-T423 WeakPolarHBondContact O-CG2 3.43Å; D419-T423 PolarHBondContact O-N 3.23Å; D419-T423 PolarHBondContact O-OG1 3.47Å; E420-T423 PolarHBondContact O-OG1 2.85Å; Y421-T423 PolarHBondContact O-N 3.38Å; T423-L466 HydrophobicContact CG2-CD2 4.34Å; T423-L575 WeakPolarHBondContact O-CD1 3.39Å |
| 424 | S | 73.6 | Confident | 74.5 | Confident | 7 Ų | 7 | 28.4 Ų | 28.4 | 5% | 0.049 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -75.5 | 140.1 | 178.3 | -169.2 | 0 | 0 | 0 | 0 | 112.3 | R341 Y421 L422 D426 C427 | R341-S424 PolarHBondContact NH1-OG 2.9Å; Y421-S424 WeakPolarHBondContact O-CB 3.48Å; Y421-S424 PolarHBondContact O-N 3.36Å; L422-S424 PolarHBondContact O-N 3.36Å; S424-D426 PolarHBondContact O-N 3.16Å; S424-D426 VanDerWaalsContact O-N 3.11Å; S424-C427 VanDerWaalsContact O-CB 3.25Å; S424-C427 WeakPolarHBondContact O-CB 3.43Å; S424-C427 PolarHBondContact O-N 3.49Å; S424-C427 VanDerWaalsContact O-N 3.14Å; S424-C427 PolarHBondContact O-SG 3.32Å |
| 425 | P | 71.3 | Confident | 76.7 | Confident | 30 Ų | 30 | 26.2 Ų | 26.2 | 20% | 0.195 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -17.8 | 173.3 | 25 | -34.8 | 0 | 0 | 0 | 114.5 | C427 W567 T571 | P425-C427 VanDerWaalsContact C-N 3.33Å; P425-W567 VanDerWaalsContact O-CD1 3.26Å; P425-T571 VanDerWaalsContact CA-OG1 3.28Å; P425-T571 WeakPolarHBondContact CA-OG1 3.39Å; P425-T571 VanDerWaalsContact CB-OG1 3.32Å; P425-T571 WeakPolarHBondContact CB-OG1 3.46Å |
| 426 | D | 75.4 | Confident | 78.9 | Confident | 94 Ų | 94 | 20.2 Ų | 20.2 | 50% | 0.503 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 4.1 | -179.7 | -55 | -47 | 0 | 0 | 0 | 113 | S424 L428 | S424-D426 PolarHBondContact O-N 3.16Å; S424-D426 VanDerWaalsContact O-N 3.11Å; D426-L428 VanDerWaalsContact C-N 3.33Å; D426-L428 PolarHBondContact O-N 3.37Å |
| 427 | C | 85.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -13.9 | -168.3 | 74.3 | 0 | 0 | 0 | 0 | 115.7 | Y421 L422 S424 P425 N429 L430 I431 W567 | Y421-C427 HydrophobicContact CD1-CB 3.95Å; Y421-C427 HydrophobicContact CE1-CB 3.78Å; Y421-C427 WeakPolarHBondContact O-CB 3.16Å; L422-C427 PolarHBondContact O-SG 2.94Å; S424-C427 VanDerWaalsContact O-CB 3.25Å; S424-C427 WeakPolarHBondContact O-CB 3.43Å; S424-C427 PolarHBondContact O-N 3.49Å; S424-C427 VanDerWaalsContact O-N 3.14Å; S424-C427 PolarHBondContact O-SG 3.32Å; P425-C427 VanDerWaalsContact C-N 3.33Å; C427-N429 VanDerWaalsContact C-N 3.32Å; C427-N429 PolarHBondContact O-N 2.86Å; C427-L430 WeakPolarHBondContact O-CA 3.45Å; C427-L430 PolarHBondContact O-N 3.43Å; C427-I431 PolarHBondContact O-N 2.92Å; C427-I431 VanDerWaalsContact SG-CD1 3.52Å; C427-W567 PolarHBondContact SG-NE1 2.92Å |
| 428 | L | 92.9 | Very high | 81.8 | Confident | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -50.9 | -47.6 | -172.6 | 179.8 | 60.4 | 0 | 0 | 0 | 113 | D426 L430 I431 M432 F504 L505 A559 Q563 R564 W567 | D426-L428 VanDerWaalsContact C-N 3.33Å; D426-L428 PolarHBondContact O-N 3.37Å; L428-L430 VanDerWaalsContact C-N 3.3Å; L428-L430 PolarHBondContact O-N 2.85Å; L428-I431 PolarHBondContact O-N 3.36Å; L428-M432 HydrophobicContact CD1-CE 4.47Å; L428-M432 HydrophobicContact CD1-CG 4.22Å; L428-M432 HydrophobicContact CG-CG 4.47Å; L428-M432 VanDerWaalsContact O-CG 3.3Å; L428-M432 WeakPolarHBondContact O-CG 3.34Å; L428-M432 PolarHBondContact O-N 2.95Å; L428-F504 HydrophobicContact CD1-CE1 3.87Å; L428-F504 HydrophobicContact CD2-CE1 4.05Å; L428-F504 HydrophobicContact CD2-CZ 4.03Å; L428-L505 HydrophobicContact CD1-CD2 3.69Å; L428-A559 HydrophobicContact CD2-CB 3.79Å; L428-A559 HydrophobicContact CG-CB 4.22Å; L428-Q563 HydrophobicContact CD2-CB 4.24Å; L428-R564 HydrophobicContact CD2-CG 4.23Å; L428-W567 HydrophobicContact CB-CB 4.36Å; L428-W567 HydrophobicContact CB-CD2 4.27Å; L428-W567 HydrophobicContact CB-CG 3.86Å; L428-W567 HydrophobicContact CD1-CD2 4.12Å; L428-W567 HydrophobicContact CD1-CE3 4.21Å; L428-W567 HydrophobicContact CD1-CG 4.35Å; L428-W567 HydrophobicContact CD2-CB 3.95Å; L428-W567 HydrophobicContact CD2-CG 4.26Å; L428-W567 HydrophobicContact CG-CG 4.38Å |
| 429 | N | 92.7 | Very high | 81.8 | Confident | 22 Ų | 22 | 19.6 Ų | 19.6 | 12% | 0.118 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.6 | -36.2 | -179.6 | -82.1 | -16.3 | 0 | 0 | 0 | 112.3 | C427 W433 L550 A559 | C427-N429 VanDerWaalsContact C-N 3.32Å; C427-N429 PolarHBondContact O-N 2.86Å; N429-W433 WeakPolarHBondContact O-CB 3.42Å; N429-W433 PolarHBondContact O-N 3.41Å; N429-L550 HydrophobicContact CB-CD1 4.07Å; N429-L550 HydrophobicContact CB-CD2 4.01Å; N429-A559 WeakPolarHBondContact OD1-CB 3.23Å; N429-A559 PolarHBondContact OD1-N 2.94Å |
| 430 | L | 90.2 | Very high | 81.2 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -71.9 | -38.4 | 175.1 | -171.6 | 69.3 | 0 | 0 | 0 | 111.3 | Q349 L418 Y421 C427 L428 M432 W433 I434 L550 | Q349-L430 HydrophobicContact CG-CD1 3.82Å; L418-L430 HydrophobicContact CD1-CD2 3.87Å; Y421-L430 HydrophobicContact CD1-CB 4.28Å; Y421-L430 HydrophobicContact CD1-CD2 3.3Å; Y421-L430 HydrophobicContact CD1-CG 4.4Å; Y421-L430 HydrophobicContact CE1-CB 3.6Å; Y421-L430 HydrophobicContact CE1-CD2 3.41Å; Y421-L430 VanDerWaalsContact CE1-CD2 3.41Å; Y421-L430 HydrophobicContact CE1-CG 4.12Å; Y421-L430 HydrophobicContact CG-CD2 4.06Å; C427-L430 WeakPolarHBondContact O-CA 3.45Å; C427-L430 PolarHBondContact O-N 3.43Å; L428-L430 VanDerWaalsContact C-N 3.3Å; L428-L430 PolarHBondContact O-N 2.85Å; L430-M432 VanDerWaalsContact C-N 3.33Å; L430-M432 PolarHBondContact O-N 2.66Å; L430-W433 HydrophobicContact CD1-CE3 4.3Å; L430-W433 PolarHBondContact O-N 3.24Å; L430-I434 HydrophobicContact CD1-CD1 4.17Å; L430-I434 HydrophobicContact CD1-CG1 4.2Å; L430-I434 HydrophobicContact CD2-CD1 4.06Å; L430-I434 HydrophobicContact CG-CD1 3.74Å; L430-I434 HydrophobicContact CG-CG1 4.12Å; L430-I434 WeakPolarHBondContact O-CB 3.49Å; L430-I434 VanDerWaalsContact O-CG1 3.31Å; L430-I434 WeakPolarHBondContact O-CG1 3.19Å; L430-I434 PolarHBondContact O-N 2.93Å; L430-L550 HydrophobicContact CB-CD2 4.29Å; L430-L550 HydrophobicContact CD1-CD2 4.36Å |
| 431 | I | 90.7 | Very high | 80.3 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.8 | -45.4 | 174.5 | -64.5 | 172.9 | 0 | 0 | 0 | 110.2 | L422 C427 L428 C435 F458 L459 L466 L505 W567 | L422-I431 HydrophobicContact CD2-CD1 4.18Å; L422-I431 HydrophobicContact CD2-CG1 3.59Å; C427-I431 PolarHBondContact O-N 2.92Å; C427-I431 VanDerWaalsContact SG-CD1 3.52Å; L428-I431 PolarHBondContact O-N 3.36Å; I431-C435 WeakPolarHBondContact O-CB 3.37Å; I431-C435 PolarHBondContact O-N 3.05Å; I431-F458 HydrophobicContact CG2-CE1 4.1Å; I431-L459 HydrophobicContact CG2-CD2 4.1Å; I431-L466 HydrophobicContact CD1-CD1 3.99Å; I431-L505 HydrophobicContact CG2-CD2 4.24Å; I431-W567 HydrophobicContact CD1-CH2 3.94Å; I431-W567 HydrophobicContact CD1-CZ2 3.53Å |
| 432 | M | 93.6 | Very high | 78.8 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.8 | -40.4 | 177.2 | -61.7 | -66.1 | 91.2 | 0 | 0 | 112 | L428 L430 C435 A436 L459 L505 C508 F509 I512 | L428-M432 HydrophobicContact CD1-CE 4.47Å; L428-M432 HydrophobicContact CD1-CG 4.22Å; L428-M432 HydrophobicContact CG-CG 4.47Å; L428-M432 VanDerWaalsContact O-CG 3.3Å; L428-M432 WeakPolarHBondContact O-CG 3.34Å; L428-M432 PolarHBondContact O-N 2.95Å; L430-M432 VanDerWaalsContact C-N 3.33Å; L430-M432 PolarHBondContact O-N 2.66Å; M432-C435 PolarHBondContact O-N 3.12Å; M432-A436 PolarHBondContact O-N 3.02Å; M432-L459 HydrophobicContact CE-CD2 3.94Å; M432-L505 HydrophobicContact CE-CB 4.26Å; M432-L505 HydrophobicContact CE-CD2 3.61Å; M432-C508 HydrophobicContact SD-CB 3.95Å; M432-F509 HydrophobicContact CE-CB 4.35Å; M432-F509 WeakPolarHBondContact O-CE2 3.44Å; M432-F509 HydrophobicContact SD-CB 3.77Å; M432-F509 HydrophobicContact SD-CD2 4.16Å; M432-F509 HydrophobicContact SD-CG 4.5Å; M432-F509 PolarHBondContact SD-N 2.98Å; M432-I512 HydrophobicContact CB-CD1 3.8Å; M432-I512 HydrophobicContact CG-CD1 3.58Å; M432-I512 HydrophobicContact SD-CD1 4.12Å |
| 433 | W | 92.6 | Very high | 77.7 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.9 | -47.7 | 176.1 | -172.4 | 86 | 0 | 0 | 0 | 112.5 | Q349 Y352 L353 N429 L430 C435 A436 Q437 F545 L548 L550 | Q349-W433 HydrophobicContact CB-CH2 4.06Å; Q349-W433 HydrophobicContact CB-CZ3 4.19Å; Q349-W433 HydrophobicContact CG-CE3 4.08Å; Q349-W433 HydrophobicContact CG-CH2 4.1Å; Q349-W433 HydrophobicContact CG-CZ3 3.87Å; Y352-W433 HydrophobicContact CD2-CZ3 4.03Å; Y352-W433 HydrophobicContact CG-CZ3 4.23Å; L353-W433 HydrophobicContact CD1-CZ2 4.47Å; L353-W433 HydrophobicContact CD2-CZ2 4.14Å; L353-W433 HydrophobicContact CG-CH2 4.14Å; L353-W433 HydrophobicContact CG-CZ2 4.06Å; N429-W433 WeakPolarHBondContact O-CB 3.42Å; N429-W433 PolarHBondContact O-N 3.41Å; L430-W433 HydrophobicContact CD1-CE3 4.3Å; L430-W433 PolarHBondContact O-N 3.24Å; W433-C435 VanDerWaalsContact C-N 3.3Å; W433-C435 PolarHBondContact O-N 2.98Å; W433-A436 VanDerWaalsContact O-CB 3.3Å; W433-A436 WeakPolarHBondContact O-CB 3.48Å; W433-A436 PolarHBondContact O-N 3.42Å; W433-A436 VanDerWaalsContact O-N 3.1Å; W433-Q437 HydrophobicContact CD2-CG 4.39Å; W433-Q437 HydrophobicContact CE3-CG 4.01Å; W433-Q437 HydrophobicContact CH2-CG 4Å; W433-Q437 HydrophobicContact CZ2-CG 4.39Å; W433-Q437 VanDerWaalsContact CZ2-NE2 3.32Å; W433-Q437 HydrophobicContact CZ3-CG 3.79Å; W433-Q437 WeakPolarHBondContact O-CG 3.09Å; W433-Q437 PolarHBondContact O-N 3.48Å; W433-Q437 PolarHBondContact O-NE2 3.37Å; W433-F545 PolarHBondContact NE1-O 3.29Å; W433-L548 PolarHBondContact NE1-O 3.05Å; W433-L550 HydrophobicContact CB-CD1 4.25Å; W433-L550 HydrophobicContact CG-CB 4.36Å; W433-L550 HydrophobicContact CG-CD1 4.49Å |
| 434 | I | 89.2 | Confident | 76.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.8 | -37.2 | 176.7 | -66.2 | 175.9 | 0 | 0 | 0 | 110.8 | Y352 L418 L430 A436 Q437 Q438 F458 | Y352-I434 HydrophobicContact CD2-CG1 4.32Å; Y352-I434 HydrophobicContact CE2-CB 4.38Å; Y352-I434 HydrophobicContact CE2-CD1 4.32Å; Y352-I434 HydrophobicContact CE2-CG1 4.02Å; Y352-I434 HydrophobicContact CE2-CG2 3.63Å; L418-I434 HydrophobicContact CD1-CD1 4.03Å; L418-I434 HydrophobicContact CD2-CD1 3.82Å; L430-I434 HydrophobicContact CD1-CD1 4.17Å; L430-I434 HydrophobicContact CD1-CG1 4.2Å; L430-I434 HydrophobicContact CD2-CD1 4.06Å; L430-I434 HydrophobicContact CG-CD1 3.74Å; L430-I434 HydrophobicContact CG-CG1 4.12Å; L430-I434 WeakPolarHBondContact O-CB 3.49Å; L430-I434 VanDerWaalsContact O-CG1 3.31Å; L430-I434 WeakPolarHBondContact O-CG1 3.19Å; L430-I434 PolarHBondContact O-N 2.93Å; I434-A436 VanDerWaalsContact C-N 3.32Å; I434-A436 PolarHBondContact O-N 2.67Å; I434-Q437 PolarHBondContact O-N 2.93Å; I434-Q437 VanDerWaalsContact O-N 3.14Å; I434-Q438 WeakPolarHBondContact O-CG 3.29Å; I434-Q438 PolarHBondContact O-N 2.77Å; I434-Q438 PolarHBondContact O-NE2 2.99Å; I434-F458 HydrophobicContact CB-CE1 4.36Å; I434-F458 HydrophobicContact CB-CE2 4.38Å; I434-F458 HydrophobicContact CB-CZ 3.82Å; I434-F458 HydrophobicContact CG2-CD2 4.24Å; I434-F458 HydrophobicContact CG2-CE1 4.12Å; I434-F458 HydrophobicContact CG2-CE2 3.42Å; I434-F458 VanDerWaalsContact CG2-CE2 3.42Å; I434-F458 HydrophobicContact CG2-CZ 3.36Å |
| 435 | C | 89.5 | Confident | 75.9 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.1 | -42.4 | 172.6 | -171 | 0 | 0 | 0 | 0 | 111.1 | I431 M432 W433 Q437 Q438 R455 F458 L459 F509 | I431-C435 WeakPolarHBondContact O-CB 3.37Å; I431-C435 PolarHBondContact O-N 3.05Å; M432-C435 PolarHBondContact O-N 3.12Å; W433-C435 VanDerWaalsContact C-N 3.3Å; W433-C435 PolarHBondContact O-N 2.98Å; C435-Q437 PolarHBondContact O-N 3.47Å; C435-Q438 PolarHBondContact O-N 3.41Å; C435-Q438 VanDerWaalsContact O-N 3.1Å; C435-R455 WeakPolarHBondContact O-CG 3.26Å; C435-R455 PolarHBondContact O-NE 2.83Å; C435-F458 HydrophobicContact CB-CD1 3.77Å; C435-F458 HydrophobicContact CB-CE1 3.85Å; C435-L459 HydrophobicContact CB-CD2 4.12Å; C435-F509 HydrophobicContact CB-CD2 3.92Å; C435-F509 HydrophobicContact CB-CE2 3.85Å |
| 436 | A | 88.6 | Confident | 75.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.2 | -37.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M432 W433 I434 Q438 R455 F509 V541 F545 L546 | M432-A436 PolarHBondContact O-N 3.02Å; W433-A436 VanDerWaalsContact O-CB 3.3Å; W433-A436 WeakPolarHBondContact O-CB 3.48Å; W433-A436 PolarHBondContact O-N 3.42Å; W433-A436 VanDerWaalsContact O-N 3.1Å; I434-A436 VanDerWaalsContact C-N 3.32Å; I434-A436 PolarHBondContact O-N 2.67Å; A436-Q438 VanDerWaalsContact C-N 3.26Å; A436-Q438 PolarHBondContact O-N 3.04Å; A436-R455 PolarHBondContact O-NE 3Å; A436-R455 PolarHBondContact O-NH2 3.42Å; A436-F509 HydrophobicContact CB-CE2 4.07Å; A436-F509 HydrophobicContact CB-CZ 4.35Å; A436-V541 HydrophobicContact CB-CG1 4.29Å; A436-V541 HydrophobicContact CB-CG2 4.38Å; A436-F545 HydrophobicContact CB-CB 4.37Å; A436-F545 HydrophobicContact CB-CD1 4.14Å; A436-L546 HydrophobicContact CB-CD2 4.48Å; A436-L546 WeakPolarHBondContact O-CD2 3.42Å |
| 437 | Q | 85.4 | Confident | 75.5 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 5% | 0.051 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -10.1 | 179.2 | -44.5 | -41.9 | -23 | 0 | 0 | 115.2 | Y352 W433 I434 C435 L439 F545 | Y352-Q437 HydrophobicContact CD1-CB 3.67Å; Y352-Q437 HydrophobicContact CD1-CG 4.17Å; Y352-Q437 HydrophobicContact CE1-CB 4.13Å; Y352-Q437 HydrophobicContact CG-CB 4.1Å; Y352-Q437 HydrophobicContact CG-CG 4.06Å; W433-Q437 HydrophobicContact CD2-CG 4.39Å; W433-Q437 HydrophobicContact CE3-CG 4.01Å; W433-Q437 HydrophobicContact CH2-CG 4Å; W433-Q437 HydrophobicContact CZ2-CG 4.39Å; W433-Q437 VanDerWaalsContact CZ2-NE2 3.32Å; W433-Q437 HydrophobicContact CZ3-CG 3.79Å; W433-Q437 WeakPolarHBondContact O-CG 3.09Å; W433-Q437 PolarHBondContact O-N 3.48Å; W433-Q437 PolarHBondContact O-NE2 3.37Å; I434-Q437 PolarHBondContact O-N 2.93Å; I434-Q437 VanDerWaalsContact O-N 3.14Å; C435-Q437 PolarHBondContact O-N 3.47Å; Q437-L439 PolarHBondContact O-N 3.41Å; Q437-F545 PolarHBondContact NE2-O 2.88Å |
| 438 | Q | 82.7 | Confident | 75.4 | Confident | 40 Ų | 40 | 39.5 Ų | 39.5 | 19% | 0.187 | 22% | 0.216 | C | C | . | . | trans | -78.4 | 69.8 | 176.2 | -46.3 | -54.7 | -59.1 | 0 | 0 | 110.7 | Y352 I434 C435 A436 P454 R455 F458 | Y352-Q438 PolarHBondContact OH-NE2 2.9Å; I434-Q438 WeakPolarHBondContact O-CG 3.29Å; I434-Q438 PolarHBondContact O-N 2.77Å; I434-Q438 PolarHBondContact O-NE2 2.99Å; C435-Q438 PolarHBondContact O-N 3.41Å; C435-Q438 VanDerWaalsContact O-N 3.1Å; A436-Q438 VanDerWaalsContact C-N 3.26Å; A436-Q438 PolarHBondContact O-N 3.04Å; Q438-P454 HydrophobicContact CB-CB 4.18Å; Q438-R455 HydrophobicContact CB-CG 3.95Å; Q438-R455 WeakPolarHBondContact O-CG 3.34Å; Q438-F458 HydrophobicContact CG-CB 3.76Å; Q438-F458 HydrophobicContact CG-CD1 4.43Å; Q438-F458 HydrophobicContact CG-CD2 4.36Å; Q438-F458 HydrophobicContact CG-CG 3.92Å | ||
| 439 | L | 70.1 | Confident | 74.9 | Confident | 29 Ų | 29 | 41 Ų | 41 | 15% | 0.152 | 22% | 0.223 | C | C | . | . | trans | -77.1 | 132.4 | 178.7 | -68.6 | 170 | 0 | 0 | 0 | 111.4 | L356 Q437 F441 L546 | L356-L439 HydrophobicContact CD2-CD1 3.67Å; Q437-L439 PolarHBondContact O-N 3.41Å; L439-F441 HydrophobicContact CB-CD2 4.3Å; L439-F441 HydrophobicContact CB-CE1 4.2Å; L439-F441 HydrophobicContact CB-CE2 3.78Å; L439-F441 HydrophobicContact CB-CZ 3.74Å; L439-F441 HydrophobicContact CD1-CE1 4.02Å; L439-F441 HydrophobicContact CD1-CE2 4.37Å; L439-F441 HydrophobicContact CD1-CZ 3.58Å; L439-F441 HydrophobicContact CG-CZ 4.32Å; L439-L546 HydrophobicContact CD1-CD1 4.24Å; L439-L546 HydrophobicContact CD1-CD2 4.26Å; L439-L546 HydrophobicContact CD2-CD1 4.23Å; L439-L546 HydrophobicContact CD2-CD2 4.2Å; L439-L546 HydrophobicContact CG-CD2 4.34Å | ||
| 440 | S | 56.2 | Low | 74.5 | Confident | 35 Ų | 35 | 39.9 Ų | 39.9 | 25% | 0.245 | 22% | 0.217 | C | C | . | . | trans | -93.5 | 93.1 | 170.4 | -168.9 | 0 | 0 | 0 | 0 | 109.7 | L442 | S440-L442 VanDerWaalsContact C-N 3.27Å; S440-L442 PolarHBondContact O-N 2.94Å | ||
| 441 | F | 51 | Low | 74.5 | Confident | 120 Ų | 120 | 40 Ų | 40 | 53% | 0.526 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -76 | -11.9 | 179.3 | -63 | -74.1 | 0 | 0 | 0 | 114.1 | L439 F534 | L439-F441 HydrophobicContact CB-CD2 4.3Å; L439-F441 HydrophobicContact CB-CE1 4.2Å; L439-F441 HydrophobicContact CB-CE2 3.78Å; L439-F441 HydrophobicContact CB-CZ 3.74Å; L439-F441 HydrophobicContact CD1-CE1 4.02Å; L439-F441 HydrophobicContact CD1-CE2 4.37Å; L439-F441 HydrophobicContact CD1-CZ 3.58Å; L439-F441 HydrophobicContact CG-CZ 4.32Å; F441-F534 HydrophobicContact CE1-CE2 4.26Å |
| 442 | L | 41.4 | Very low | 74.2 | Confident | 155 Ų | 155 | 40.2 Ų | 40.2 | 81% | 0.812 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -114.6 | -24.7 | -166.9 | -65.6 | 173 | 0 | 0 | 0 | 114.8 | S440 V444 | S440-L442 VanDerWaalsContact C-N 3.27Å; S440-L442 PolarHBondContact O-N 2.94Å; L442-V444 PolarHBondContact O-N 3.4Å |
| 443 | N | 49.2 | Very low | 73.8 | Confident | 74 Ų | 74 | 42.2 Ų | 42.2 | 40% | 0.396 | 23% | 0.229 | S | C | . | . | trans | -92.2 | 84.8 | -178.9 | -71.3 | -4.7 | 0 | 0 | 0 | 111.5 | S445 D446 | N443-S445 PolarHBondContact O-N 2.92Å; N443-S445 VanDerWaalsContact O-N 3.12Å; N443-D446 HydrophobicContact CB-CB 4.37Å; N443-D446 PolarHBondContact O-N 3.47Å | ||
| 444 | V | 49.3 | Very low | 73.4 | Confident | 143 Ų | 143 | 44 Ų | 44 | 87% | 0.867 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -15.1 | 170.4 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | L442 | L442-V444 PolarHBondContact O-N 3.4Š|
| 445 | S | 56.3 | Low | 73.4 | Confident | 103 Ų | 103 | 44.2 Ų | 44.2 | 72% | 0.72 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -5.5 | 178.4 | 52.8 | 0 | 0 | 0 | 0 | 115.7 | N443 E447 | N443-S445 PolarHBondContact O-N 2.92Å; N443-S445 VanDerWaalsContact O-N 3.12Å; S445-E447 PolarHBondContact O-N 3.49Å |
| 446 | D | 64.8 | Low | 73.4 | Confident | 16 Ų | 16 | 44.3 Ų | 44.3 | 9% | 0.086 | 24% | 0.242 | C | C | . | . | trans | -86.3 | 90.7 | -172.5 | -138.7 | -10 | 0 | 0 | 0 | 110.8 | N443 D448 F449 S452 L453 K629 | N443-D446 HydrophobicContact CB-CB 4.37Å; N443-D446 PolarHBondContact O-N 3.47Å; D446-D448 PolarHBondContact O-N 3.34Å; D446-D448 VanDerWaalsContact O-N 3.16Å; D446-F449 WeakPolarHBondContact O-CD1 3.23Å; D446-F449 WeakPolarHBondContact O-CE1 3.46Å; D446-S452 WeakPolarHBondContact OD2-CA 3.36Å; D446-S452 WeakPolarHBondContact OD2-CB 3.46Å; D446-L453 PolarHBondContact OD2-N 3.2Å; D446-K629 IonicContact OD1-NZ 3.19Å; D446-K629 PolarHBondContact OD1-NZ 3.29Å | ||
| 447 | E | 73.6 | Confident | 73.2 | Confident | 75 Ų | 75 | 47.1 Ų | 47.1 | 35% | 0.35 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -62.9 | -23.7 | -171.7 | -67.2 | -173.4 | -155.7 | 0 | 0 | 115.6 | S445 V724 S725 R740 | S445-E447 PolarHBondContact O-N 3.49Å; E447-V724 CarbonylContact O-C 3.46Å; E447-V724 WeakPolarHBondContact O-CA 3.33Å; E447-V724 WeakPolarHBondContact O-CG1 3.48Å; E447-S725 WeakPolarHBondContact CA-OG 3.42Å; E447-S725 PolarHBondContact O-N 2.87Å; E447-S725 PolarHBondContact O-OG 2.9Å; E447-R740 VanDerWaalsContact CD-NH2 3.3Å; E447-R740 IonicContact OE1-CZ 3.64Å; E447-R740 IonicContact OE1-NH1 3.03Å; E447-R740 IonicContact OE1-NH2 3.7Å; E447-R740 PolarHBondContact OE1-NH2 2.91Å; E447-R740 IonicContact OE2-CZ 2.66Å; E447-R740 IonicContact OE2-NH1 3.06Å; E447-R740 PolarHBondContact OE2-NH1 3.47Å; E447-R740 IonicContact OE2-NH2 3.65Å; E447-R740 PolarHBondContact OE2-NH2 2.54Å |
| 448 | D | 83.2 | Confident | 73.4 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -109.7 | 99 | 172.1 | -170.7 | -33.9 | 0 | 0 | 0 | 107.8 | D446 T450 L451 S452 R622 K629 V724 W737 | D446-D448 PolarHBondContact O-N 3.34Å; D446-D448 VanDerWaalsContact O-N 3.16Å; D448-T450 VanDerWaalsContact C-N 3.31Å; D448-T450 WeakPolarHBondContact OD1-CA 3.32Å; D448-T450 VanDerWaalsContact OD1-CB 3.31Å; D448-T450 WeakPolarHBondContact OD1-CB 3.29Å; D448-T450 PolarHBondContact OD1-N 2.78Å; D448-L451 CarbonylContact O-C 3.31Å; D448-L451 PolarHBondContact OD1-N 2.95Å; D448-S452 WeakPolarHBondContact O-CA 3.47Å; D448-S452 PolarHBondContact O-N 3.07Å; D448-S452 VanDerWaalsContact O-N 3.09Å; D448-R622 IonicContact OD1-CZ 2.76Å; D448-R622 IonicContact OD1-NH2 3.6Å; D448-R622 PolarHBondContact OD1-NH2 3.17Å; D448-R622 IonicContact OD2-CZ 3.44Å; D448-R622 IonicContact OD2-NE 2.72Å; D448-R622 PolarHBondContact OD2-NE 3.33Å; D448-R622 IonicContact OD2-NH2 3.29Å; D448-R622 PolarHBondContact OD2-NH2 3.44Å; D448-K629 PolarHBondContact O-NZ 3.4Å; D448-V724 HydrophobicContact CB-CG2 4.41Å; D448-W737 HydrophobicContact CB-CH2 4.49Å |
| 449 | F | 81.8 | Confident | 73.7 | Confident | 33 Ų | 33 | 45.3 Ų | 45.3 | 15% | 0.145 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -69.7 | -29.4 | 179.3 | -57.4 | -55.9 | 0 | 0 | 0 | 111.8 | D446 S452 R455 T537 I538 G723 | D446-F449 WeakPolarHBondContact O-CD1 3.23Å; D446-F449 WeakPolarHBondContact O-CE1 3.46Å; F449-S452 WeakPolarHBondContact O-CB 3.38Å; F449-R455 PolarHBondContact O-NH1 2.99Å; F449-T537 VanDerWaalsContact CD2-O 3.22Å; F449-T537 WeakPolarHBondContact CD2-O 3.49Å; F449-I538 HydrophobicContact CD1-CG2 4.23Å; F449-I538 HydrophobicContact CE1-CG2 4.04Å; F449-I538 HydrophobicContact CE2-CB 4.47Å; F449-I538 HydrophobicContact CE2-CG1 4.28Å; F449-I538 HydrophobicContact CZ-CG1 4.28Å; F449-I538 HydrophobicContact CZ-CG2 4.21Å; F449-G723 WeakPolarHBondContact CB-O 3.46Å; F449-G723 PolarHBondContact N-O 3.48Å |
| 450 | T | 86.1 | Confident | 74.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -54.7 | 174.7 | -52.5 | 0 | 0 | 0 | 0 | 109.6 | D448 S452 R455 F509 L510 S513 G540 R622 G723 | D448-T450 VanDerWaalsContact C-N 3.31Å; D448-T450 WeakPolarHBondContact OD1-CA 3.32Å; D448-T450 VanDerWaalsContact OD1-CB 3.31Å; D448-T450 WeakPolarHBondContact OD1-CB 3.29Å; D448-T450 PolarHBondContact OD1-N 2.78Å; T450-S452 PolarHBondContact O-N 2.9Å; T450-R455 WeakPolarHBondContact O-CD 3.47Å; T450-F509 HydrophobicContact CG2-CD1 4.07Å; T450-F509 HydrophobicContact CG2-CE1 3.79Å; T450-F509 WeakPolarHBondContact O-CE1 3.44Å; T450-L510 HydrophobicContact CG2-CD1 4.2Å; T450-S513 WeakPolarHBondContact CG2-OG 3.47Å; T450-G540 WeakPolarHBondContact CB-O 3.27Å; T450-G540 WeakPolarHBondContact CG2-O 3.38Å; T450-G540 PolarHBondContact OG1-O 3.39Å; T450-R622 PolarHBondContact OG1-NH2 3.31Å; T450-G723 PolarHBondContact N-O 3.43Å |
| 451 | L | 88.6 | Confident | 75.9 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 48.1 | 177.7 | -57.4 | -178.9 | 0 | 0 | 0 | 110.7 | D448 L456 I506 F509 L510 R622 K629 | D448-L451 CarbonylContact O-C 3.31Å; D448-L451 PolarHBondContact OD1-N 2.95Å; L451-L456 HydrophobicContact CB-CD1 4.43Å; L451-L456 HydrophobicContact CB-CD2 4.46Å; L451-L456 HydrophobicContact CD2-CD2 4.32Å; L451-L456 WeakPolarHBondContact O-CD1 3.27Å; L451-I506 HydrophobicContact CD1-CG2 4.17Å; L451-I506 HydrophobicContact CD2-CG2 4.1Å; L451-F509 HydrophobicContact CD2-CD1 4.32Å; L451-L510 HydrophobicContact CD1-CD1 4.28Å; L451-L510 HydrophobicContact CG-CD1 4.39Å; L451-R622 HydrophobicContact CD1-CB 4.41Å; L451-R622 WeakPolarHBondContact CD1-O 3.39Å; L451-K629 WeakPolarHBondContact O-CD 3.39Å; L451-K629 PolarHBondContact O-NZ 2.84Å |
| 452 | S | 85.6 | Confident | 77.5 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 3% | 0.028 | 23% | 0.231 | C | C | . | . | trans | -65.9 | 156.5 | 173.2 | 69.2 | 0 | 0 | 0 | 0 | 111.7 | D446 D448 F449 T450 R455 L456 | D446-S452 WeakPolarHBondContact OD2-CA 3.36Å; D446-S452 WeakPolarHBondContact OD2-CB 3.46Å; D448-S452 WeakPolarHBondContact O-CA 3.47Å; D448-S452 PolarHBondContact O-N 3.07Å; D448-S452 VanDerWaalsContact O-N 3.09Å; F449-S452 WeakPolarHBondContact O-CB 3.38Å; T450-S452 PolarHBondContact O-N 2.9Å; S452-R455 WeakPolarHBondContact O-CB 3.45Å; S452-R455 PolarHBondContact O-N 3.37Å; S452-R455 WeakPolarHBondContact OG-CG 3.45Å; S452-L456 PolarHBondContact O-N 3.49Å | ||
| 453 | L | 84.4 | Confident | 79.7 | Confident | 43 Ų | 43 | 35.4 Ų | 35.4 | 23% | 0.225 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59 | -44 | -172.6 | -142 | 58.4 | 0 | 0 | 0 | 114.5 | D446 R455 L456 E457 K629 Y633 | D446-L453 PolarHBondContact OD2-N 3.2Å; L453-R455 VanDerWaalsContact C-N 3.32Å; L453-R455 PolarHBondContact O-N 3.4Å; L453-L456 PolarHBondContact O-N 2.87Å; L453-E457 WeakPolarHBondContact O-CB 3.27Å; L453-E457 PolarHBondContact O-N 3.32Å; L453-K629 HydrophobicContact CD1-CB 4.11Å; L453-K629 HydrophobicContact CD1-CD 4.29Å; L453-Y633 HydrophobicContact CD1-CE2 3.75Å; L453-Y633 HydrophobicContact CD2-CE2 3.84Å; L453-Y633 WeakPolarHBondContact CD2-OH 3.45Å; L453-Y633 HydrophobicContact CG-CE2 3.65Å; L453-Y633 WeakPolarHBondContact CG-OH 3.11Å |
| 454 | P | 83.5 | Confident | 81.4 | Confident | 39 Ų | 39 | 35.9 Ų | 35.9 | 25% | 0.253 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.5 | -33.7 | 178.3 | -23.6 | 36.3 | 0 | 0 | 0 | 113.5 | Q438 F458 | Q438-P454 HydrophobicContact CB-CB 4.18Å; P454-F458 WeakPolarHBondContact O-CB 3.34Å; P454-F458 PolarHBondContact O-N 2.95Å |
| 455 | R | 89.4 | Confident | 82.9 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 1% | 0.011 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.3 | -47.9 | 176.5 | -69.6 | -175.1 | 166.3 | 150.2 | -1.8 | 111.3 | C435 A436 Q438 F449 T450 S452 L453 F458 L459 S539 | C435-R455 WeakPolarHBondContact O-CG 3.26Å; C435-R455 PolarHBondContact O-NE 2.83Å; A436-R455 PolarHBondContact O-NE 3Å; A436-R455 PolarHBondContact O-NH2 3.42Å; Q438-R455 HydrophobicContact CB-CG 3.95Å; Q438-R455 WeakPolarHBondContact O-CG 3.34Å; F449-R455 PolarHBondContact O-NH1 2.99Å; T450-R455 WeakPolarHBondContact O-CD 3.47Å; S452-R455 WeakPolarHBondContact O-CB 3.45Å; S452-R455 PolarHBondContact O-N 3.37Å; S452-R455 WeakPolarHBondContact OG-CG 3.45Å; L453-R455 VanDerWaalsContact C-N 3.32Å; L453-R455 PolarHBondContact O-N 3.4Å; R455-F458 PolarHBondContact O-N 3.43Å; R455-L459 WeakPolarHBondContact O-CG 3.41Å; R455-L459 PolarHBondContact O-N 3.36Å; R455-S539 VanDerWaalsContact CZ-O 3.31Å; R455-S539 PolarHBondContact NH1-O 3.44Å; R455-S539 PolarHBondContact NH2-O 2.99Å |
| 456 | L | 89.5 | Confident | 84.2 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 176.5 | -68.2 | 174.6 | 0 | 0 | 0 | 111.4 | L451 S452 L453 F458 L459 L460 I506 K629 L630 | L451-L456 HydrophobicContact CB-CD1 4.43Å; L451-L456 HydrophobicContact CB-CD2 4.46Å; L451-L456 HydrophobicContact CD2-CD2 4.32Å; L451-L456 WeakPolarHBondContact O-CD1 3.27Å; S452-L456 PolarHBondContact O-N 3.49Å; L453-L456 PolarHBondContact O-N 2.87Å; L456-F458 VanDerWaalsContact C-N 3.34Å; L456-F458 PolarHBondContact O-N 2.82Å; L456-L459 PolarHBondContact O-N 3.32Å; L456-L460 PolarHBondContact O-N 3.46Å; L456-I506 HydrophobicContact CD2-CD1 4.04Å; L456-I506 HydrophobicContact CD2-CG1 4Å; L456-K629 HydrophobicContact CD1-CB 3.62Å; L456-K629 HydrophobicContact CD1-CD 3.78Å; L456-K629 HydrophobicContact CD1-CG 4.33Å; L456-L630 HydrophobicContact CB-CD2 3.76Å; L456-L630 HydrophobicContact CB-CG 3.99Å; L456-L630 HydrophobicContact CD2-CD1 4.29Å; L456-L630 HydrophobicContact CD2-CG 4.34Å |
| 457 | E | 86.1 | Confident | 85.3 | Confident | 60 Ų | 60 | 28.9 Ų | 28.9 | 28% | 0.28 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -61.3 | -41.3 | 176.4 | -168.4 | -175 | 175.8 | 0 | 0 | 112 | L453 L460 K461 | L453-E457 WeakPolarHBondContact O-CB 3.27Å; L453-E457 PolarHBondContact O-N 3.32Å; E457-L460 PolarHBondContact O-N 2.92Å; E457-K461 VanDerWaalsContact CD-NZ 3.29Å; E457-K461 HydrophobicContact CG-CD 4.23Å; E457-K461 WeakPolarHBondContact O-CB 3.5Å; E457-K461 WeakPolarHBondContact O-CG 3.38Å; E457-K461 PolarHBondContact O-N 3.25Å; E457-K461 WeakPolarHBondContact OE1-CE 3.45Å; E457-K461 IonicContact OE1-NZ 2.77Å; E457-K461 PolarHBondContact OE1-NZ 3.1Å; E457-K461 IonicContact OE2-NZ 3.63Å |
| 458 | F | 87.8 | Confident | 85.7 | Confident | 12 Ų | 12 | 29.8 Ų | 29.8 | 5% | 0.053 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.3 | -44.7 | 174.1 | 168.7 | -94.9 | 0 | 0 | 0 | 112.4 | M414 I431 I434 C435 Q438 P454 R455 L456 K461 S462 | M414-F458 HydrophobicContact CE-CE2 3.82Å; M414-F458 HydrophobicContact SD-CD2 4.46Å; M414-F458 HydrophobicContact SD-CE2 3.85Å; I431-F458 HydrophobicContact CG2-CE1 4.1Å; I434-F458 HydrophobicContact CB-CE1 4.36Å; I434-F458 HydrophobicContact CB-CE2 4.38Å; I434-F458 HydrophobicContact CB-CZ 3.82Å; I434-F458 HydrophobicContact CG2-CD2 4.24Å; I434-F458 HydrophobicContact CG2-CE1 4.12Å; I434-F458 HydrophobicContact CG2-CE2 3.42Å; I434-F458 VanDerWaalsContact CG2-CE2 3.42Å; I434-F458 HydrophobicContact CG2-CZ 3.36Å; C435-F458 HydrophobicContact CB-CD1 3.77Å; C435-F458 HydrophobicContact CB-CE1 3.85Å; Q438-F458 HydrophobicContact CG-CB 3.76Å; Q438-F458 HydrophobicContact CG-CD1 4.43Å; Q438-F458 HydrophobicContact CG-CD2 4.36Å; Q438-F458 HydrophobicContact CG-CG 3.92Å; P454-F458 WeakPolarHBondContact O-CB 3.34Å; P454-F458 PolarHBondContact O-N 2.95Å; R455-F458 PolarHBondContact O-N 3.43Å; L456-F458 VanDerWaalsContact C-N 3.34Å; L456-F458 PolarHBondContact O-N 2.82Å; F458-K461 PolarHBondContact O-N 2.99Å; F458-S462 WeakPolarHBondContact CZ-OG 3.27Å; F458-S462 VanDerWaalsContact O-CB 3.29Å; F458-S462 WeakPolarHBondContact O-CB 3.41Å; F458-S462 PolarHBondContact O-N 3.13Å; F458-S462 PolarHBondContact O-OG 3.02Å |
| 459 | L | 89.6 | Confident | 85.6 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 176.2 | -65.7 | -179.1 | 0 | 0 | 0 | 111.1 | I431 M432 C435 R455 L456 K461 S462 V463 L505 I506 | I431-L459 HydrophobicContact CG2-CD2 4.1Å; M432-L459 HydrophobicContact CE-CD2 3.94Å; C435-L459 HydrophobicContact CB-CD2 4.12Å; R455-L459 WeakPolarHBondContact O-CG 3.41Å; R455-L459 PolarHBondContact O-N 3.36Å; L456-L459 PolarHBondContact O-N 3.32Å; L459-K461 PolarHBondContact O-N 3.5Å; L459-S462 PolarHBondContact O-N 2.98Å; L459-V463 WeakPolarHBondContact O-CG2 3.28Å; L459-V463 PolarHBondContact O-N 3.32Å; L459-L505 HydrophobicContact CD1-CB 4.24Å; L459-L505 HydrophobicContact CD2-CB 4.13Å; L459-L505 HydrophobicContact CD2-CD1 4.43Å; L459-I506 HydrophobicContact CD1-CG1 4.1Å |
| 460 | L | 87.5 | Confident | 85.7 | Confident | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | 176.9 | -179.2 | 65.1 | 0 | 0 | 0 | 112.3 | L456 E457 K464 I502 L630 | L456-L460 PolarHBondContact O-N 3.46Å; E457-L460 PolarHBondContact O-N 2.92Å; L460-K464 HydrophobicContact CD1-CD 4.39Å; L460-K464 HydrophobicContact CG-CD 4.25Å; L460-K464 WeakPolarHBondContact O-CB 3.34Å; L460-K464 VanDerWaalsContact O-CG 3.31Å; L460-K464 WeakPolarHBondContact O-CG 3.07Å; L460-K464 PolarHBondContact O-N 3.42Å; L460-K464 VanDerWaalsContact O-N 3.08Å; L460-I502 HydrophobicContact CD1-CD1 3.6Å; L460-L630 HydrophobicContact CB-CD2 3.97Å; L460-L630 HydrophobicContact CD2-CD2 4.11Å |
| 461 | K | 84.3 | Confident | 85.7 | Confident | 122 Ų | 122 | 43 Ų | 43 | 53% | 0.53 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 175.3 | -76 | 174.4 | -178.8 | 166.9 | 0 | 111.3 | E457 F458 L459 K464 K465 | E457-K461 VanDerWaalsContact CD-NZ 3.29Å; E457-K461 HydrophobicContact CG-CD 4.23Å; E457-K461 WeakPolarHBondContact O-CB 3.5Å; E457-K461 WeakPolarHBondContact O-CG 3.38Å; E457-K461 PolarHBondContact O-N 3.25Å; E457-K461 WeakPolarHBondContact OE1-CE 3.45Å; E457-K461 IonicContact OE1-NZ 2.77Å; E457-K461 PolarHBondContact OE1-NZ 3.1Å; E457-K461 IonicContact OE2-NZ 3.63Å; F458-K461 PolarHBondContact O-N 2.99Å; L459-K461 PolarHBondContact O-N 3.5Å; K461-K464 PolarHBondContact O-N 2.86Å; K461-K465 WeakPolarHBondContact O-CB 3.4Å; K461-K465 PolarHBondContact O-N 3.08Å |
| 462 | S | 84.7 | Confident | 85.4 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -46.4 | 179 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | F458 L459 K465 L466 | F458-S462 WeakPolarHBondContact CZ-OG 3.27Å; F458-S462 VanDerWaalsContact O-CB 3.29Å; F458-S462 WeakPolarHBondContact O-CB 3.41Å; F458-S462 PolarHBondContact O-N 3.13Å; F458-S462 PolarHBondContact O-OG 3.02Å; L459-S462 PolarHBondContact O-N 2.98Å; S462-K465 PolarHBondContact O-N 3.35Å; S462-L466 WeakPolarHBondContact O-CB 3.21Å; S462-L466 WeakPolarHBondContact O-CG 3.43Å; S462-L466 PolarHBondContact O-N 3.45Å |
| 463 | V | 88.3 | Confident | 85.2 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.6 | -45.8 | 177 | 174.6 | 0 | 0 | 0 | 0 | 111.8 | L459 K465 L466 F467 Q498 V501 I502 L505 | L459-V463 WeakPolarHBondContact O-CG2 3.28Å; L459-V463 PolarHBondContact O-N 3.32Å; V463-K465 PolarHBondContact O-N 2.84Å; V463-L466 PolarHBondContact O-N 3.38Å; V463-F467 HydrophobicContact CG1-CD2 4.16Å; V463-F467 PolarHBondContact O-N 3.03Å; V463-Q498 HydrophobicContact CG1-CB 3.86Å; V463-Q498 HydrophobicContact CG1-CG 4.21Å; V463-V501 HydrophobicContact CG1-CB 4.05Å; V463-V501 HydrophobicContact CG1-CG1 4.26Å; V463-V501 HydrophobicContact CG2-CB 4.22Å; V463-V501 HydrophobicContact CG2-CG1 3.79Å; V463-I502 HydrophobicContact CB-CG1 4.02Å; V463-I502 HydrophobicContact CG1-CD1 4.48Å; V463-I502 HydrophobicContact CG1-CG1 4.06Å; V463-I502 HydrophobicContact CG2-CG1 3.86Å; V463-L505 HydrophobicContact CG2-CD1 3.46Å; V463-L505 VanDerWaalsContact CG2-CD1 3.46Å |
| 464 | K | 84.3 | Confident | 84.5 | Confident | 83 Ų | 83 | 46.4 Ų | 46.4 | 36% | 0.361 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.5 | -34.8 | 176.8 | -76.4 | 173.2 | 178.9 | 172.6 | 0 | 112.5 | L460 K461 | L460-K464 HydrophobicContact CD1-CD 4.39Å; L460-K464 HydrophobicContact CG-CD 4.25Å; L460-K464 WeakPolarHBondContact O-CB 3.34Å; L460-K464 VanDerWaalsContact O-CG 3.31Å; L460-K464 WeakPolarHBondContact O-CG 3.07Å; L460-K464 PolarHBondContact O-N 3.42Å; L460-K464 VanDerWaalsContact O-N 3.08Å; K461-K464 PolarHBondContact O-N 2.86Å |
| 465 | K | 82.4 | Confident | 83 | Confident | 99 Ų | 99 | 49.3 Ų | 49.3 | 43% | 0.43 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -79.1 | -40.3 | -180 | -164.8 | 173.8 | -167 | -176.1 | 0 | 112.7 | D419 K461 S462 V463 | D419-K465 VanDerWaalsContact CG-CE 3.44Å; D419-K465 WeakPolarHBondContact OD1-CE 3.47Å; D419-K465 IonicContact OD1-NZ 2.78Å; D419-K465 PolarHBondContact OD1-NZ 2.99Å; D419-K465 WeakPolarHBondContact OD2-CE 3.46Å; D419-K465 IonicContact OD2-NZ 3.56Å; D419-K465 PolarHBondContact OD2-NZ 3.27Å; K461-K465 WeakPolarHBondContact O-CB 3.4Å; K461-K465 PolarHBondContact O-N 3.08Å; S462-K465 PolarHBondContact O-N 3.35Å; V463-K465 PolarHBondContact O-N 2.84Å |
| 466 | L | 83.2 | Confident | 81 | Confident | 13 Ų | 13 | 52.7 Ų | 52.7 | 7% | 0.068 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -78.5 | -39.2 | -178.3 | -75.4 | 173.5 | 0 | 0 | 0 | 113.5 | L422 T423 I431 S462 V463 P468 W567 L575 | L422-L466 VanDerWaalsContact C-CD2 3.47Å; L422-L466 HydrophobicContact CB-CD1 4.38Å; L422-L466 HydrophobicContact CB-CD2 3.83Å; L422-L466 HydrophobicContact CB-CG 4.46Å; L422-L466 WeakPolarHBondContact O-CD2 3.39Å; T423-L466 HydrophobicContact CG2-CD2 4.34Å; I431-L466 HydrophobicContact CD1-CD1 3.99Å; S462-L466 WeakPolarHBondContact O-CB 3.21Å; S462-L466 WeakPolarHBondContact O-CG 3.43Å; S462-L466 PolarHBondContact O-N 3.45Å; V463-L466 PolarHBondContact O-N 3.38Å; L466-P468 WeakPolarHBondContact O-CD 3.46Å; L466-W567 HydrophobicContact CD1-CH2 4.47Å; L466-W567 HydrophobicContact CD1-CZ2 4.32Å; L466-L575 WeakPolarHBondContact O-CD2 3.35Å |
| 467 | F | 86.8 | Confident | 79.1 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 1% | 0.013 | 27% | 0.268 | C | S | . | . | trans | -119.2 | 52.4 | -172.8 | -51.9 | -76.5 | 0 | 0 | 0 | 112.7 | V463 K469 L470 Q498 V501 W567 L570 T571 T574 L575 | V463-F467 HydrophobicContact CG1-CD2 4.16Å; V463-F467 PolarHBondContact O-N 3.03Å; F467-K469 PolarHBondContact O-N 3.49Å; F467-K469 VanDerWaalsContact O-N 3.15Å; F467-L470 HydrophobicContact CB-CB 4.24Å; F467-L470 HydrophobicContact CB-CD1 3.71Å; F467-L470 HydrophobicContact CB-CG 3.93Å; F467-L470 HydrophobicContact CD1-CD1 4.27Å; F467-L470 HydrophobicContact CG-CD1 4.08Å; F467-L470 PolarHBondContact O-N 3.19Å; F467-L470 VanDerWaalsContact O-N 3.07Å; F467-Q498 PolarHBondContact O-NE2 3.22Å; F467-V501 HydrophobicContact CD2-CG1 4.03Å; F467-V501 HydrophobicContact CE2-CG1 3.71Å; F467-V501 HydrophobicContact CZ-CG1 4.48Å; F467-W567 AromaticContact CE2-CH2 3.79Å; F467-W567 HydrophobicContact CE2-CH2 3.79Å; F467-W567 HydrophobicContact CE2-CZ2 4.43Å; F467-W567 HydrophobicContact CE2-CZ3 4.34Å; F467-W567 AromaticContact CZ-CH2 3.93Å; F467-W567 HydrophobicContact CZ-CH2 3.93Å; F467-W567 HydrophobicContact CZ-CZ2 4.23Å; F467-W567 HydrophobicContact CZ-CZ3 4.42Å; F467-L570 HydrophobicContact CZ-CD2 4.1Å; F467-T571 HydrophobicContact CE1-CG2 4.32Å; F467-T571 HydrophobicContact CZ-CG2 4.05Å; F467-T574 VanDerWaalsContact CD1-OG1 3.26Å; F467-T574 WeakPolarHBondContact CD1-OG1 3.47Å; F467-T574 WeakPolarHBondContact CE1-OG1 3.05Å; F467-L575 HydrophobicContact CD1-CD2 4.37Å; F467-L575 HydrophobicContact CE1-CD2 4.41Å; F467-L575 HydrophobicContact CE1-CG 4.39Å | ||
| 468 | P | 81.9 | Confident | 76.9 | Confident | 94 Ų | 94 | 55.3 Ų | 55.3 | 61% | 0.61 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -18.6 | -176.7 | 30.8 | -36.9 | 0 | 0 | 0 | 113 | L466 | L466-P468 WeakPolarHBondContact O-CD 3.46Š|
| 469 | K | 81.8 | Confident | 75 | Confident | 161 Ų | 161 | 57.6 Ų | 57.6 | 70% | 0.7 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -22.6 | 175 | -64.9 | -179.8 | -177.2 | 171.1 | 0 | 113.7 | F467 | F467-K469 PolarHBondContact O-N 3.49Å; F467-K469 VanDerWaalsContact O-N 3.15Å |
| 470 | L | 85.1 | Confident | 72.4 | Confident | 27 Ų | 27 | 58.2 Ų | 58.2 | 14% | 0.141 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -73.8 | 138 | 176.9 | -69.3 | -176.4 | 0 | 0 | 0 | 109.4 | F467 L496 Q498 V501 T574 | F467-L470 HydrophobicContact CB-CB 4.24Å; F467-L470 HydrophobicContact CB-CD1 3.71Å; F467-L470 HydrophobicContact CB-CG 3.93Å; F467-L470 HydrophobicContact CD1-CD1 4.27Å; F467-L470 HydrophobicContact CG-CD1 4.08Å; F467-L470 PolarHBondContact O-N 3.19Å; F467-L470 VanDerWaalsContact O-N 3.07Å; L470-L496 HydrophobicContact CD1-CD2 3.95Å; L470-L496 HydrophobicContact CD1-CG 4.13Å; L470-L496 HydrophobicContact CD2-CD2 4.04Å; L470-L496 HydrophobicContact CD2-CG 4.34Å; L470-Q498 HydrophobicContact CB-CG 3.86Å; L470-Q498 PolarHBondContact O-NE2 2.53Å; L470-V501 HydrophobicContact CD1-CG2 4.03Å; L470-T574 HydrophobicContact CD1-CG2 4.24Å; L470-T574 HydrophobicContact CD2-CG2 3.9Å; L470-T574 HydrophobicContact CG-CG2 4.35Å |
| 471 | E | 84.1 | Confident | 69.8 | Low | 127 Ų | 127 | 62.2 Ų | 62.2 | 59% | 0.593 | 32% | 0.322 | S | S | * | . | trans | -59.2 | 145.6 | 169.4 | -64.8 | -171.9 | 159.4 | 0 | 0 | 110 | C497 Q498 | E471-C497 CarbonylContact O-C 3.49Å; E471-C497 WeakPolarHBondContact O-CA 3.41Å; E471-C497 WeakPolarHBondContact O-CB 3.42Å; E471-Q498 PolarHBondContact O-N 3.42Å | ||
| 472 | F | 83.7 | Confident | 67.4 | Low | 22 Ų | 22 | 59.8 Ų | 59.8 | 10% | 0.096 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -62.2 | -49.9 | -175.3 | 176.7 | -109.7 | 0 | 0 | 0 | 111.6 | Q498 I499 R638 F642 | F472-Q498 HydrophobicContact CD2-CB 4.44Å; F472-Q498 PolarHBondContact O-N 3.28Å; F472-I499 HydrophobicContact CE1-CD1 4.22Å; F472-I499 HydrophobicContact CZ-CD1 4.49Å; F472-I499 WeakPolarHBondContact O-CG1 3.02Å; F472-I499 PolarHBondContact O-N 2.94Å; F472-R638 HydrophobicContact CD1-CB 4.05Å; F472-R638 HydrophobicContact CD1-CG 4.07Å; F472-R638 HydrophobicContact CE1-CB 3.72Å; F472-R638 HydrophobicContact CE1-CG 4.17Å; F472-R638 HydrophobicContact CZ-CB 4.43Å; F472-F642 HydrophobicContact CE1-CB 4.23Å; F472-F642 AromaticContact CE1-CD2 3.9Å; F472-F642 HydrophobicContact CE1-CD2 3.9Å; F472-F642 AromaticContact CZ-CD2 3.61Å; F472-F642 HydrophobicContact CZ-CD2 3.61Å; F472-F642 HydrophobicContact CZ-CE2 4.26Å |
| 473 | S | 81.4 | Confident | 64.9 | Low | 16 Ų | 16 | 64.8 Ų | 64.8 | 11% | 0.112 | 35% | 0.349 | C | S | . | . | trans | -137.2 | 146.7 | 175.1 | -168.3 | 0 | 0 | 0 | 0 | 107.9 | I499 T641 W645 | S473-I499 WeakPolarHBondContact OG-CD1 3.43Å; S473-T641 WeakPolarHBondContact CB-O 3.39Å; S473-T641 PolarHBondContact OG-O 3.48Å; S473-W645 PolarHBondContact OG-NE1 2.82Å | ||
| 474 | Y | 69.9 | Low | 62.3 | Low | 81 Ų | 81 | 69.6 Ų | 69.6 | 32% | 0.318 | 37% | 0.371 | S | S | . | . | trans | -90.9 | 142 | 168.6 | -168.8 | -101.1 | 0 | 0 | 0 | 108.4 | S476 Q495 | Y474-S476 PolarHBondContact O-N 3.13Å; Y474-S476 VanDerWaalsContact O-N 3.14Å; Y474-Q495 HydrophobicContact CD1-CB 4.4Å; Y474-Q495 HydrophobicContact CD2-CB 4.29Å; Y474-Q495 HydrophobicContact CE1-CB 4.36Å; Y474-Q495 HydrophobicContact CE1-CG 4.07Å; Y474-Q495 VanDerWaalsContact CE1-NE2 3.35Å; Y474-Q495 HydrophobicContact CE2-CB 4.26Å; Y474-Q495 HydrophobicContact CE2-CG 4.01Å; Y474-Q495 HydrophobicContact CG-CB 4.35Å; Y474-Q495 PolarHBondContact OH-NE2 2.89Å | ||
| 475 | P | 50.8 | Low | 59.9 | Low | 100 Ų | 100 | 68.3 Ų | 68.3 | 65% | 0.649 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -52.4 | 123 | -178.2 | -27.6 | 35.5 | 0 | 0 | 0 | 111.6 | ||
| 476 | S | 48.5 | Very low | 57.6 | Low | 74 Ų | 74 | 71.7 Ų | 71.7 | 52% | 0.517 | 38% | 0.383 | S | S | . | . | trans | 3.3 | 105.4 | -176.9 | -162.1 | 0 | 0 | 0 | 0 | 114.7 | Y474 V478 | Y474-S476 PolarHBondContact O-N 3.13Å; Y474-S476 VanDerWaalsContact O-N 3.14Å; S476-V478 PolarHBondContact O-N 2.81Å | ||
| 477 | P | 48.5 | Very low | 55.3 | Low | 16 Ų | 16 | 75.5 Ų | 75.5 | 10% | 0.104 | 41% | 0.411 | C | S | . | . | trans | -51.1 | 131 | 165.8 | -17.6 | 29.5 | 0 | 0 | 0 | 107.2 | F479 W645 | P477-F479 HydrophobicContact CB-CD1 4.08Å; P477-F479 HydrophobicContact CB-CE1 3.56Å; P477-F479 HydrophobicContact CB-CE2 4.08Å; P477-F479 HydrophobicContact CB-CZ 3.58Å; P477-F479 HydrophobicContact CG-CE1 4Å; P477-F479 HydrophobicContact CG-CE2 3.98Å; P477-F479 HydrophobicContact CG-CZ 3.51Å; P477-F479 WeakPolarHBondContact O-CD2 3.39Å; P477-F479 WeakPolarHBondContact O-CG 3.29Å; P477-F479 PolarHBondContact O-N 3.41Å; P477-W645 HydrophobicContact CG-CZ2 4.28Å | ||
| 478 | V | 41.3 | Very low | 52.8 | Low | 102 Ų | 102 | 83.3 Ų | 83.3 | 62% | 0.618 | 45% | 0.453 | S | S | * | . | trans | -70.6 | 83.9 | -171.9 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | S476 G480 | S476-V478 PolarHBondContact O-N 2.81Å; V478-G480 PolarHBondContact O-N 2.89Å | ||
| 479 | F | 46.5 | Very low | 50.8 | Low | 60 Ų | 60 | 80.8 Ų | 80.8 | 26% | 0.263 | 44% | 0.437 | S | S | . | . | trans | -76.4 | 46.8 | 179.9 | -58.1 | -53.6 | 0 | 0 | 0 | 110.6 | P477 P644 H648 | P477-F479 HydrophobicContact CB-CD1 4.08Å; P477-F479 HydrophobicContact CB-CE1 3.56Å; P477-F479 HydrophobicContact CB-CE2 4.08Å; P477-F479 HydrophobicContact CB-CZ 3.58Å; P477-F479 HydrophobicContact CG-CE1 4Å; P477-F479 HydrophobicContact CG-CE2 3.98Å; P477-F479 HydrophobicContact CG-CZ 3.51Å; P477-F479 WeakPolarHBondContact O-CD2 3.39Å; P477-F479 WeakPolarHBondContact O-CG 3.29Å; P477-F479 PolarHBondContact O-N 3.41Å; F479-P644 HydrophobicContact CE2-CB 4.29Å; F479-H648 HydrophobicContact CD1-CB 4.13Å; F479-H648 AromaticContact CD1-CD2 3.7Å; F479-H648 AromaticContact CD1-CE1 3.37Å; F479-H648 WeakPolarHBondContact CD1-CE1 3.21Å; F479-H648 AromaticContact CD1-CG 3.48Å; F479-H648 VanDerWaalsContact CD1-CG 3.48Å; F479-H648 AromaticContact CD1-ND1 3.3Å; F479-H648 VanDerWaalsContact CD1-ND1 3.3Å; F479-H648 WeakPolarHBondContact CD1-ND1 3.37Å; F479-H648 AromaticContact CD1-NE2 3.6Å; F479-H648 HydrophobicContact CD2-CB 3.99Å; F479-H648 HydrophobicContact CE1-CB 3.88Å; F479-H648 AromaticContact CE1-CD2 3.13Å; F479-H648 WeakPolarHBondContact CE1-CD2 3.41Å; F479-H648 AromaticContact CE1-CE1 3.62Å; F479-H648 AromaticContact CE1-CG 3.3Å; F479-H648 AromaticContact CE1-ND1 3.63Å; F479-H648 AromaticContact CE1-NE2 3.32Å; F479-H648 VanDerWaalsContact CE1-NE2 3.32Å; F479-H648 WeakPolarHBondContact CE1-NE2 3.46Å; F479-H648 HydrophobicContact CE2-CB 3.73Å; F479-H648 HydrophobicContact CG-CB 4.18Å; F479-H648 AromaticContact CG-CG 3.95Å; F479-H648 AromaticContact CG-ND1 3.74Å; F479-H648 HydrophobicContact CZ-CB 3.65Å; F479-H648 AromaticContact CZ-CD2 3.6Å; F479-H648 AromaticContact CZ-CG 3.61Å | ||
| 480 | G | 34.6 | Very low | 49 | Very low | 14 Ų | 14 | 76.4 Ų | 76.4 | 14% | 0.144 | 42% | 0.422 | C | S | . | . | trans | -70.2 | 160.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V478 | V478-G480 PolarHBondContact O-N 2.89Š| ||
| 481 | L | 34.1 | Very low | 47.4 | Very low | 90 Ų | 90 | 75.4 Ų | 75.4 | 47% | 0.471 | 42% | 0.417 | S | S | . | . | trans | -57.4 | 150.7 | 161.6 | -87.5 | 80.5 | 0 | 0 | 0 | 108.7 | T483 E484 K765 | L481-T483 PolarHBondContact O-N 2.94Å; L481-E484 PolarHBondContact O-N 3.39Å; L481-K765 HydrophobicContact CD1-CD 4.44Å | ||
| 482 | P | 34.5 | Very low | 46.4 | Very low | 71 Ų | 71 | 71.8 Ų | 71.8 | 46% | 0.461 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -21.1 | -177.5 | -27.1 | 32.8 | 0 | 0 | 0 | 115.5 | E484 L485 | P482-E484 PolarHBondContact O-N 3.34Å; P482-L485 PolarHBondContact O-N 3.22Å |
| 483 | T | 32 | Very low | 45.5 | Very low | 106 Ų | 106 | 71.9 Ų | 71.9 | 65% | 0.65 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -25.3 | 172.1 | 34 | 0 | 0 | 0 | 0 | 114.4 | L481 | L481-T483 PolarHBondContact O-N 2.94Š|
| 484 | E | 32.2 | Very low | 44.9 | Very low | 102 Ų | 102 | 77.4 Ų | 77.4 | 48% | 0.477 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -13.1 | 178.7 | -70.5 | 175.4 | 146.3 | 0 | 0 | 113.5 | L481 P482 K486 K765 | L481-E484 PolarHBondContact O-N 3.39Å; P482-E484 PolarHBondContact O-N 3.34Å; E484-K486 PolarHBondContact O-N 3.18Å; E484-K765 IonicContact OE1-NZ 2.63Å; E484-K765 PolarHBondContact OE1-NZ 2.94Å; E484-K765 IonicContact OE2-NZ 2.98Å; E484-K765 PolarHBondContact OE2-NZ 3.46Å |
| 485 | L | 33.7 | Very low | 45.2 | Very low | 57 Ų | 57 | 76 Ų | 76 | 30% | 0.298 | 43% | 0.429 | S | S | . | . | trans | -73.8 | 12.1 | 177 | -88.9 | 101.4 | 0 | 0 | 0 | 114.6 | P482 S487 S489 I601 | P482-L485 PolarHBondContact O-N 3.22Å; L485-S487 PolarHBondContact O-N 2.84Å; L485-S487 VanDerWaalsContact O-N 3.08Å; L485-S489 VanDerWaalsContact CD2-OG 3.28Å; L485-S489 WeakPolarHBondContact CD2-OG 3.35Å; L485-S489 WeakPolarHBondContact CG-OG 3.44Å; L485-I601 HydrophobicContact CD2-CG2 4.25Å | ||
| 486 | K | 34.2 | Very low | 46.8 | Very low | 169 Ų | 169 | 72.1 Ų | 72.1 | 74% | 0.735 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -73.5 | 3.5 | -172.1 | -76 | -167.4 | 174.1 | -174.4 | 0 | 115.9 | E484 | E484-K486 PolarHBondContact O-N 3.18Š|
| 487 | S | 35.6 | Very low | 48.7 | Very low | 94 Ų | 94 | 68.6 Ų | 68.6 | 66% | 0.657 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -153.5 | 119.2 | 168.6 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | L485 S489 | L485-S487 PolarHBondContact O-N 2.84Å; L485-S487 VanDerWaalsContact O-N 3.08Å; S487-S489 PolarHBondContact O-N 3.34Å |
| 488 | N | 34.2 | Very low | 50.7 | Low | 166 Ų | 166 | 68.5 Ų | 68.5 | 89% | 0.888 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 69.7 | 2.7 | 160.4 | -66.7 | -1.5 | 0 | 0 | 0 | 121.2 | N490 | N488-N490 PolarHBondContact O-N 3.37Š|
| 489 | S | 39.6 | Very low | 52.9 | Low | 41 Ų | 41 | 63.6 Ų | 63.6 | 29% | 0.287 | 35% | 0.347 | S | S | . | . | trans | -83.8 | 49.4 | 177.1 | 66.2 | 0 | 0 | 0 | 0 | 114.6 | L485 S487 | L485-S489 VanDerWaalsContact CD2-OG 3.28Å; L485-S489 WeakPolarHBondContact CD2-OG 3.35Å; L485-S489 WeakPolarHBondContact CG-OG 3.44Å; S487-S489 PolarHBondContact O-N 3.34Å | ||
| 490 | N | 44.7 | Very low | 55.1 | Low | 70 Ų | 70 | 60.8 Ų | 60.8 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 120 | 158.4 | -82.1 | -2.9 | 0 | 0 | 0 | 107.1 | N488 N492 | N488-N490 PolarHBondContact O-N 3.37Å; N490-N492 PolarHBondContact O-N 2.99Å; N490-N492 VanDerWaalsContact O-N 3.09Å |
| 491 | A | 51.7 | Low | 57.8 | Low | 6 Ų | 6 | 60.1 Ų | 60.1 | 5% | 0.05 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 118.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | Q592 L595 I601 | A491-Q592 PolarHBondContact O-NE2 3.31Å; A491-Q592 PolarHBondContact O-OE1 3.45Å; A491-L595 HydrophobicContact CB-CD2 4.28Å; A491-I601 HydrophobicContact CB-CD1 3.66Å |
| 492 | N | 63.2 | Low | 60.6 | Low | 50 Ų | 50 | 55.8 Ų | 55.8 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -87.8 | 154.2 | 177.7 | -168.7 | 12.7 | 0 | 0 | 0 | 109.4 | N490 D494 Q495 R588 | N490-N492 PolarHBondContact O-N 2.99Å; N490-N492 VanDerWaalsContact O-N 3.09Å; N492-D494 PolarHBondContact ND2-OD2 3.35Å; N492-D494 PolarHBondContact O-N 3.46Å; N492-D494 VanDerWaalsContact O-N 3.12Å; N492-Q495 HydrophobicContact CB-CG 4.41Å; N492-Q495 WeakPolarHBondContact O-CB 3.46Å; N492-Q495 PolarHBondContact O-N 3.38Å; N492-R588 PolarHBondContact OD1-NH2 3.07Å |
| 493 | V | 64.5 | Low | 63.3 | Low | 25 Ų | 25 | 52.4 Ų | 52.4 | 15% | 0.152 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -54 | -32.9 | 175.4 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | Q495 L496 R588 F591 | V493-Q495 PolarHBondContact O-N 3.45Å; V493-L496 PolarHBondContact O-N 2.91Å; V493-R588 HydrophobicContact CG2-CG 4Å; V493-F591 HydrophobicContact CB-CD1 4.44Å; V493-F591 HydrophobicContact CG1-CD1 3.86Å; V493-F591 HydrophobicContact CG1-CE1 3.81Å; V493-F591 HydrophobicContact CG2-CD1 3.94Å; V493-F591 HydrophobicContact CG2-CE1 4.46Å |
| 494 | D | 68.1 | Low | 66.3 | Low | 132 Ų | 132 | 47.4 Ų | 47.4 | 71% | 0.706 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -67.9 | -9.8 | 177 | -50 | -41.3 | 0 | 0 | 0 | 114.3 | N492 | N492-D494 PolarHBondContact ND2-OD2 3.35Å; N492-D494 PolarHBondContact O-N 3.46Å; N492-D494 VanDerWaalsContact O-N 3.12Å |
| 495 | Q | 76.4 | Confident | 69.3 | Low | 50 Ų | 50 | 42.6 Ų | 42.6 | 23% | 0.234 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -104.1 | 15.4 | -178.9 | -61.9 | 176.9 | -43.4 | 0 | 0 | 113.3 | Y474 N492 V493 R599 | Y474-Q495 HydrophobicContact CD1-CB 4.4Å; Y474-Q495 HydrophobicContact CD2-CB 4.29Å; Y474-Q495 HydrophobicContact CE1-CB 4.36Å; Y474-Q495 HydrophobicContact CE1-CG 4.07Å; Y474-Q495 VanDerWaalsContact CE1-NE2 3.35Å; Y474-Q495 HydrophobicContact CE2-CB 4.26Å; Y474-Q495 HydrophobicContact CE2-CG 4.01Å; Y474-Q495 HydrophobicContact CG-CB 4.35Å; Y474-Q495 PolarHBondContact OH-NE2 2.89Å; N492-Q495 HydrophobicContact CB-CG 4.41Å; N492-Q495 WeakPolarHBondContact O-CB 3.46Å; N492-Q495 PolarHBondContact O-N 3.38Å; V493-Q495 PolarHBondContact O-N 3.45Å; Q495-R599 PolarHBondContact O-NH2 3.27Å |
| 496 | L | 84.3 | Confident | 72.2 | Confident | 19 Ų | 19 | 39.9 Ų | 39.9 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | trans | -64 | 131.1 | 177.2 | 178.5 | 76.3 | 0 | 0 | 0 | 111.3 | L470 V493 D500 L570 T574 F591 L595 | L470-L496 HydrophobicContact CD1-CD2 3.95Å; L470-L496 HydrophobicContact CD1-CG 4.13Å; L470-L496 HydrophobicContact CD2-CD2 4.04Å; L470-L496 HydrophobicContact CD2-CG 4.34Å; V493-L496 PolarHBondContact O-N 2.91Å; L496-D500 HydrophobicContact CD1-CB 3.82Å; L496-L570 HydrophobicContact CD1-CD1 3.86Å; L496-L570 HydrophobicContact CD2-CD1 3.45Å; L496-L570 VanDerWaalsContact CD2-CD1 3.45Å; L496-L570 HydrophobicContact CG-CD1 4.25Å; L496-T574 HydrophobicContact CD2-CG2 3.46Å; L496-T574 VanDerWaalsContact CD2-CG2 3.46Å; L496-F591 HydrophobicContact CD1-CZ 4.29Å; L496-F591 HydrophobicContact CD2-CZ 4.31Å; L496-L595 HydrophobicContact CD1-CD1 4.24Å | ||
| 497 | C | 88 | Confident | 75 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | trans | -123.1 | 170.6 | 177.8 | 73.8 | 0 | 0 | 0 | 0 | 112.6 | E471 I499 D500 | E471-C497 CarbonylContact O-C 3.49Å; E471-C497 WeakPolarHBondContact O-CA 3.41Å; E471-C497 WeakPolarHBondContact O-CB 3.42Å; C497-I499 PolarHBondContact O-N 3.24Å; C497-D500 PolarHBondContact N-OD2 3.11Å; C497-D500 PolarHBondContact O-N 3.27Å; C497-D500 PolarHBondContact SG-OD2 3.48Å | ||
| 498 | Q | 90.4 | Very high | 77.7 | Confident | 13 Ų | 13 | 27.3 Ų | 27.3 | 6% | 0.061 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.5 | -33.4 | 177.2 | -65 | -179 | 11.7 | 0 | 0 | 112.2 | V463 F467 L470 E471 F472 D500 V501 I502 | V463-Q498 HydrophobicContact CG1-CB 3.86Å; V463-Q498 HydrophobicContact CG1-CG 4.21Å; F467-Q498 PolarHBondContact O-NE2 3.22Å; L470-Q498 HydrophobicContact CB-CG 3.86Å; L470-Q498 PolarHBondContact O-NE2 2.53Å; E471-Q498 PolarHBondContact O-N 3.42Å; F472-Q498 HydrophobicContact CD2-CB 4.44Å; F472-Q498 PolarHBondContact O-N 3.28Å; Q498-D500 PolarHBondContact O-N 3.3Å; Q498-V501 PolarHBondContact O-N 3.21Å; Q498-I502 WeakPolarHBondContact O-CG1 3.49Å; Q498-I502 PolarHBondContact O-N 3.36Å |
| 499 | I | 89.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.1 | -33.3 | 178.6 | -61.5 | 164.9 | 0 | 0 | 0 | 112.2 | F472 S473 C497 V501 I502 C503 F642 W645 | F472-I499 HydrophobicContact CE1-CD1 4.22Å; F472-I499 HydrophobicContact CZ-CD1 4.49Å; F472-I499 WeakPolarHBondContact O-CG1 3.02Å; F472-I499 PolarHBondContact O-N 2.94Å; S473-I499 WeakPolarHBondContact OG-CD1 3.43Å; C497-I499 PolarHBondContact O-N 3.24Å; I499-V501 VanDerWaalsContact C-N 3.27Å; I499-V501 PolarHBondContact O-N 2.94Å; I499-I502 PolarHBondContact O-N 3.43Å; I499-C503 WeakPolarHBondContact O-CB 3.44Å; I499-C503 PolarHBondContact O-N 3.22Å; I499-C503 PolarHBondContact O-SG 3.41Å; I499-F642 HydrophobicContact CD1-CB 4.46Å; I499-F642 HydrophobicContact CD1-CD2 3.46Å; I499-F642 VanDerWaalsContact CD1-CD2 3.46Å; I499-F642 HydrophobicContact CD1-CE2 4.03Å; I499-F642 HydrophobicContact CD1-CG 4.24Å; I499-F642 HydrophobicContact CG1-CD2 3.83Å; I499-F642 HydrophobicContact CG1-CE2 3.91Å; I499-W645 HydrophobicContact CB-CD2 4.19Å; I499-W645 HydrophobicContact CB-CH2 4.43Å; I499-W645 HydrophobicContact CB-CZ2 4.1Å; I499-W645 HydrophobicContact CD1-CG 4.36Å; I499-W645 HydrophobicContact CG2-CB 4.3Å; I499-W645 HydrophobicContact CG2-CD2 3.35Å; I499-W645 HydrophobicContact CG2-CE3 3.52Å; I499-W645 HydrophobicContact CG2-CG 3.71Å; I499-W645 HydrophobicContact CG2-CH2 4.22Å; I499-W645 HydrophobicContact CG2-CZ2 4.09Å; I499-W645 HydrophobicContact CG2-CZ3 3.96Å |
| 500 | D | 90.9 | Very high | 83.1 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -57.9 | -43.7 | 172.3 | -66.8 | -67.3 | 0 | 0 | 0 | 111.3 | L496 C497 Q498 C503 F504 L595 R599 W645 | L496-D500 HydrophobicContact CD1-CB 3.82Å; C497-D500 PolarHBondContact N-OD2 3.11Å; C497-D500 PolarHBondContact O-N 3.27Å; C497-D500 PolarHBondContact SG-OD2 3.48Å; Q498-D500 PolarHBondContact O-N 3.3Å; D500-C503 PolarHBondContact O-N 3.44Å; D500-F504 WeakPolarHBondContact O-CB 3.48Å; D500-F504 PolarHBondContact O-N 2.74Å; D500-L595 HydrophobicContact CB-CD1 4.14Å; D500-L595 WeakPolarHBondContact OD1-CD1 3.44Å; D500-R599 IonicContact OD1-CZ 3.2Å; D500-R599 IonicContact OD1-NE 2.7Å; D500-R599 PolarHBondContact OD1-NE 2.89Å; D500-R599 IonicContact OD1-NH2 3.43Å; D500-R599 PolarHBondContact OD1-NH2 3.12Å; D500-R599 IonicContact OD2-CZ 3.61Å; D500-R599 IonicContact OD2-NE 3.37Å; D500-R599 IonicContact OD2-NH2 2.8Å; D500-R599 PolarHBondContact OD2-NH2 3.08Å; D500-W645 WeakPolarHBondContact OD1-CH2 3.23Å |
| 501 | V | 92.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -68.7 | -39.4 | -179.9 | -170.6 | 0 | 0 | 0 | 0 | 111.1 | V463 F467 L470 Q498 I499 F504 L505 W567 L570 | V463-V501 HydrophobicContact CG1-CB 4.05Å; V463-V501 HydrophobicContact CG1-CG1 4.26Å; V463-V501 HydrophobicContact CG2-CB 4.22Å; V463-V501 HydrophobicContact CG2-CG1 3.79Å; F467-V501 HydrophobicContact CD2-CG1 4.03Å; F467-V501 HydrophobicContact CE2-CG1 3.71Å; F467-V501 HydrophobicContact CZ-CG1 4.48Å; L470-V501 HydrophobicContact CD1-CG2 4.03Å; Q498-V501 PolarHBondContact O-N 3.21Å; I499-V501 VanDerWaalsContact C-N 3.27Å; I499-V501 PolarHBondContact O-N 2.94Å; V501-F504 PolarHBondContact O-N 3.28Å; V501-L505 HydrophobicContact CG1-CD1 4.2Å; V501-L505 WeakPolarHBondContact O-CB 3.46Å; V501-L505 VanDerWaalsContact O-CG 3.32Å; V501-L505 WeakPolarHBondContact O-CG 3.4Å; V501-L505 PolarHBondContact O-N 2.97Å; V501-W567 HydrophobicContact CG1-CH2 4.29Å; V501-W567 HydrophobicContact CG1-CZ3 3.75Å; V501-L570 HydrophobicContact CG1-CD2 3.89Å; V501-L570 HydrophobicContact CG2-CD1 4.21Å; V501-L570 HydrophobicContact CG2-CD2 3.96Å |
| 502 | I | 92.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.2 | -47.2 | 173.5 | -68.1 | 163 | 0 | 0 | 0 | 110.2 | L460 V463 Q498 I499 F504 L505 I506 L627 L630 | L460-I502 HydrophobicContact CD1-CD1 3.6Å; V463-I502 HydrophobicContact CB-CG1 4.02Å; V463-I502 HydrophobicContact CG1-CD1 4.48Å; V463-I502 HydrophobicContact CG1-CG1 4.06Å; V463-I502 HydrophobicContact CG2-CG1 3.86Å; Q498-I502 WeakPolarHBondContact O-CG1 3.49Å; Q498-I502 PolarHBondContact O-N 3.36Å; I499-I502 PolarHBondContact O-N 3.43Å; I502-F504 VanDerWaalsContact C-N 3.34Å; I502-F504 PolarHBondContact O-N 3.27Å; I502-L505 PolarHBondContact O-N 3.18Å; I502-I506 HydrophobicContact CG2-CD1 3.67Å; I502-I506 HydrophobicContact CG2-CG1 4.35Å; I502-I506 VanDerWaalsContact O-CG1 3.31Å; I502-I506 WeakPolarHBondContact O-CG1 3.46Å; I502-I506 PolarHBondContact O-N 3.41Å; I502-L627 HydrophobicContact CG2-CD2 4.39Å; I502-L630 HydrophobicContact CG2-CD1 3.59Å |
| 503 | C | 92 | Very high | 88.3 | Confident | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -59.2 | -45.4 | 176.5 | -66.3 | 0 | 0 | 0 | 0 | 111 | I499 D500 L505 I506 T507 | I499-C503 WeakPolarHBondContact O-CB 3.44Å; I499-C503 PolarHBondContact O-N 3.22Å; I499-C503 PolarHBondContact O-SG 3.41Å; D500-C503 PolarHBondContact O-N 3.44Å; C503-L505 PolarHBondContact O-N 2.93Å; C503-I506 PolarHBondContact O-N 3.31Å; C503-T507 VanDerWaalsContact O-CB 3.25Å; C503-T507 WeakPolarHBondContact O-CB 3.21Å; C503-T507 PolarHBondContact O-N 3.12Å; C503-T507 PolarHBondContact O-OG1 3.15Å |
| 504 | F | 94.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -57.5 | -48.5 | 175.2 | 175.9 | -99.5 | 0 | 0 | 0 | 112.2 | L428 D500 V501 I502 T507 C508 Q563 W566 W567 L598 L711 F712 | L428-F504 HydrophobicContact CD1-CE1 3.87Å; L428-F504 HydrophobicContact CD2-CE1 4.05Å; L428-F504 HydrophobicContact CD2-CZ 4.03Å; D500-F504 WeakPolarHBondContact O-CB 3.48Å; D500-F504 PolarHBondContact O-N 2.74Å; V501-F504 PolarHBondContact O-N 3.28Å; I502-F504 VanDerWaalsContact C-N 3.34Å; I502-F504 PolarHBondContact O-N 3.27Å; F504-T507 PolarHBondContact O-N 2.97Å; F504-C508 WeakPolarHBondContact O-CB 3.31Å; F504-C508 PolarHBondContact O-N 3.21Å; F504-Q563 HydrophobicContact CE2-CG 4.48Å; F504-Q563 HydrophobicContact CZ-CB 4.17Å; F504-W566 HydrophobicContact CB-CH2 4.34Å; F504-W566 HydrophobicContact CB-CZ3 3.85Å; F504-W566 HydrophobicContact CD1-CE3 4.2Å; F504-W566 AromaticContact CD1-CZ3 3.9Å; F504-W566 HydrophobicContact CD1-CZ3 3.9Å; F504-W566 HydrophobicContact CD2-CD2 4.37Å; F504-W566 AromaticContact CD2-CE3 3.5Å; F504-W566 HydrophobicContact CD2-CE3 3.5Å; F504-W566 VanDerWaalsContact CD2-CE3 3.5Å; F504-W566 HydrophobicContact CD2-CH2 4.37Å; F504-W566 AromaticContact CD2-CZ3 3.5Å; F504-W566 HydrophobicContact CD2-CZ3 3.5Å; F504-W566 VanDerWaalsContact CD2-CZ3 3.5Å; F504-W566 HydrophobicContact CE1-CE3 4.21Å; F504-W566 HydrophobicContact CE1-CZ3 4.35Å; F504-W566 HydrophobicContact CE2-CD2 4.28Å; F504-W566 AromaticContact CE2-CE3 3.51Å; F504-W566 HydrophobicContact CE2-CE3 3.51Å; F504-W566 AromaticContact CE2-CZ3 4Å; F504-W566 HydrophobicContact CE2-CZ3 4Å; F504-W566 AromaticContact CG-CE3 3.87Å; F504-W566 HydrophobicContact CG-CE3 3.87Å; F504-W566 HydrophobicContact CG-CH2 4.35Å; F504-W566 AromaticContact CG-CZ3 3.44Å; F504-W566 HydrophobicContact CG-CZ3 3.44Å; F504-W566 VanDerWaalsContact CG-CZ3 3.44Å; F504-W566 AromaticContact CZ-CE3 3.87Å; F504-W566 HydrophobicContact CZ-CE3 3.87Å; F504-W566 HydrophobicContact CZ-CZ3 4.39Å; F504-W567 AromaticContact CD1-CE3 3.83Å; F504-W567 HydrophobicContact CD1-CE3 3.83Å; F504-W567 HydrophobicContact CD1-CZ3 4.26Å; F504-W567 HydrophobicContact CE1-CB 4.18Å; F504-W567 HydrophobicContact CE1-CD2 4.38Å; F504-W567 AromaticContact CE1-CE3 3.63Å; F504-W567 HydrophobicContact CE1-CE3 3.63Å; F504-W567 HydrophobicContact CE1-CZ3 4.43Å; F504-W567 HydrophobicContact CZ-CB 4.33Å; F504-L598 HydrophobicContact CB-CD1 3.82Å; F504-L598 HydrophobicContact CB-CD2 4.07Å; F504-L598 HydrophobicContact CD2-CD1 4.15Å; F504-L598 HydrophobicContact CD2-CD2 4.37Å; F504-L598 HydrophobicContact CG-CD1 4.44Å; F504-L711 HydrophobicContact CD2-CD1 4.42Å; F504-L711 HydrophobicContact CE2-CD1 4.23Å; F504-F712 HydrophobicContact CD2-CE2 4.36Å; F504-F712 AromaticContact CD2-CZ 3.75Å; F504-F712 HydrophobicContact CD2-CZ 3.75Å; F504-F712 AromaticContact CE2-CZ 3.88Å; F504-F712 HydrophobicContact CE2-CZ 3.88Å |
| 505 | L | 95.5 | Very high | 90 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.005 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -68.5 | -39.9 | -177.8 | -70.3 | 172.1 | 0 | 0 | 0 | 112.7 | L428 I431 M432 L459 V463 V501 I502 C503 C508 F509 W567 | L428-L505 HydrophobicContact CD1-CD2 3.69Å; I431-L505 HydrophobicContact CG2-CD2 4.24Å; M432-L505 HydrophobicContact CE-CB 4.26Å; M432-L505 HydrophobicContact CE-CD2 3.61Å; L459-L505 HydrophobicContact CD1-CB 4.24Å; L459-L505 HydrophobicContact CD2-CB 4.13Å; L459-L505 HydrophobicContact CD2-CD1 4.43Å; V463-L505 HydrophobicContact CG2-CD1 3.46Å; V463-L505 VanDerWaalsContact CG2-CD1 3.46Å; V501-L505 HydrophobicContact CG1-CD1 4.2Å; V501-L505 WeakPolarHBondContact O-CB 3.46Å; V501-L505 VanDerWaalsContact O-CG 3.32Å; V501-L505 WeakPolarHBondContact O-CG 3.4Å; V501-L505 PolarHBondContact O-N 2.97Å; I502-L505 PolarHBondContact O-N 3.18Å; C503-L505 PolarHBondContact O-N 2.93Å; L505-C508 PolarHBondContact O-N 3.17Å; L505-F509 VanDerWaalsContact O-CB 3.27Å; L505-F509 WeakPolarHBondContact O-CB 3.49Å; L505-F509 PolarHBondContact O-N 3.16Å; L505-W567 HydrophobicContact CD1-CH2 4.2Å; L505-W567 HydrophobicContact CD1-CZ3 4.12Å; L505-W567 HydrophobicContact CD2-CE3 4.24Å; L505-W567 HydrophobicContact CD2-CH2 4.03Å; L505-W567 HydrophobicContact CD2-CZ3 3.64Å; L505-W567 HydrophobicContact CG-CH2 4.47Å; L505-W567 HydrophobicContact CG-CZ3 3.97Å |
| 506 | I | 94 | Very high | 90.5 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -61.1 | -48.4 | 173.1 | -69.4 | 169 | 0 | 0 | 0 | 110.1 | L451 L456 L459 I502 C503 C508 F509 L510 I623 L627 L630 | L451-I506 HydrophobicContact CD1-CG2 4.17Å; L451-I506 HydrophobicContact CD2-CG2 4.1Å; L456-I506 HydrophobicContact CD2-CD1 4.04Å; L456-I506 HydrophobicContact CD2-CG1 4Å; L459-I506 HydrophobicContact CD1-CG1 4.1Å; I502-I506 HydrophobicContact CG2-CD1 3.67Å; I502-I506 HydrophobicContact CG2-CG1 4.35Å; I502-I506 VanDerWaalsContact O-CG1 3.31Å; I502-I506 WeakPolarHBondContact O-CG1 3.46Å; I502-I506 PolarHBondContact O-N 3.41Å; C503-I506 PolarHBondContact O-N 3.31Å; I506-C508 PolarHBondContact O-N 3.4Å; I506-F509 PolarHBondContact O-N 3.34Å; I506-L510 VanDerWaalsContact O-CB 3.26Å; I506-L510 WeakPolarHBondContact O-CB 3.27Å; I506-L510 PolarHBondContact O-N 3.32Å; I506-I623 HydrophobicContact CG2-CG2 4.42Å; I506-L627 HydrophobicContact CD1-CD2 3.97Å; I506-L630 HydrophobicContact CD1-CD1 3.68Å |
| 507 | T | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | -179.2 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | C503 F504 Y511 M615 F619 I623 F712 | C503-T507 VanDerWaalsContact O-CB 3.25Å; C503-T507 WeakPolarHBondContact O-CB 3.21Å; C503-T507 PolarHBondContact O-N 3.12Å; C503-T507 PolarHBondContact O-OG1 3.15Å; F504-T507 PolarHBondContact O-N 2.97Å; T507-Y511 WeakPolarHBondContact O-CB 3.47Å; T507-Y511 PolarHBondContact O-N 2.8Å; T507-M615 HydrophobicContact CG2-CE 3.68Å; T507-M615 HydrophobicContact CG2-SD 4.46Å; T507-F619 HydrophobicContact CG2-CE1 3.64Å; T507-F619 HydrophobicContact CG2-CZ 4.02Å; T507-I623 HydrophobicContact CG2-CD1 3.97Å; T507-F712 HydrophobicContact CG2-CD1 3.59Å; T507-F712 HydrophobicContact CG2-CD2 3.74Å; T507-F712 HydrophobicContact CG2-CE1 3.56Å; T507-F712 HydrophobicContact CG2-CE2 3.7Å; T507-F712 HydrophobicContact CG2-CG 3.68Å; T507-F712 HydrophobicContact CG2-CZ 3.61Å |
| 508 | C | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -65 | -43.6 | 176.2 | -167.4 | 0 | 0 | 0 | 0 | 111.9 | M432 F504 L505 I506 Y511 I512 F712 | M432-C508 HydrophobicContact SD-CB 3.95Å; F504-C508 WeakPolarHBondContact O-CB 3.31Å; F504-C508 PolarHBondContact O-N 3.21Å; L505-C508 PolarHBondContact O-N 3.17Å; I506-C508 PolarHBondContact O-N 3.4Å; C508-Y511 WeakPolarHBondContact O-CB 3.26Å; C508-Y511 PolarHBondContact O-N 3Å; C508-I512 WeakPolarHBondContact O-CB 3.27Å; C508-I512 WeakPolarHBondContact O-CG1 3.41Å; C508-I512 PolarHBondContact O-N 3.34Å; C508-F712 HydrophobicContact CB-CE1 4.19Å |
| 509 | F | 94.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 10.9 Ų | 10.9 | 1% | 0.009 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -65.8 | -44 | 177.5 | -171.9 | -100.5 | 0 | 0 | 0 | 111.8 | M432 C435 A436 T450 L451 L505 I506 Y511 I512 S513 V541 | M432-F509 HydrophobicContact CE-CB 4.35Å; M432-F509 WeakPolarHBondContact O-CE2 3.44Å; M432-F509 HydrophobicContact SD-CB 3.77Å; M432-F509 HydrophobicContact SD-CD2 4.16Å; M432-F509 HydrophobicContact SD-CG 4.5Å; M432-F509 PolarHBondContact SD-N 2.98Å; C435-F509 HydrophobicContact CB-CD2 3.92Å; C435-F509 HydrophobicContact CB-CE2 3.85Å; A436-F509 HydrophobicContact CB-CE2 4.07Å; A436-F509 HydrophobicContact CB-CZ 4.35Å; T450-F509 HydrophobicContact CG2-CD1 4.07Å; T450-F509 HydrophobicContact CG2-CE1 3.79Å; T450-F509 WeakPolarHBondContact O-CE1 3.44Å; L451-F509 HydrophobicContact CD2-CD1 4.32Å; L505-F509 VanDerWaalsContact O-CB 3.27Å; L505-F509 WeakPolarHBondContact O-CB 3.49Å; L505-F509 PolarHBondContact O-N 3.16Å; I506-F509 PolarHBondContact O-N 3.34Å; F509-Y511 VanDerWaalsContact C-N 3.35Å; F509-Y511 PolarHBondContact O-N 2.73Å; F509-I512 PolarHBondContact O-N 2.76Å; F509-S513 WeakPolarHBondContact CE1-OG 3.3Å; F509-S513 VanDerWaalsContact O-CB 3.24Å; F509-S513 WeakPolarHBondContact O-CB 3.46Å; F509-S513 PolarHBondContact O-N 2.82Å; F509-S513 PolarHBondContact O-OG 2.82Å; F509-V541 HydrophobicContact CE1-CG1 4.31Å; F509-V541 HydrophobicContact CE2-CG1 4.4Å; F509-V541 HydrophobicContact CZ-CG1 3.67Å |
| 510 | L | 91.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 175.6 | -173.6 | 67.3 | 0 | 0 | 0 | 111.6 | T450 L451 I506 S513 T514 F619 R622 I623 | T450-L510 HydrophobicContact CG2-CD1 4.2Å; L451-L510 HydrophobicContact CD1-CD1 4.28Å; L451-L510 HydrophobicContact CG-CD1 4.39Å; I506-L510 VanDerWaalsContact O-CB 3.26Å; I506-L510 WeakPolarHBondContact O-CB 3.27Å; I506-L510 PolarHBondContact O-N 3.32Å; L510-S513 PolarHBondContact O-N 3.27Å; L510-T514 WeakPolarHBondContact O-CB 3.4Å; L510-T514 PolarHBondContact O-N 3.23Å; L510-T514 PolarHBondContact O-OG1 3.4Å; L510-F619 HydrophobicContact CB-CE2 3.97Å; L510-F619 HydrophobicContact CB-CZ 4.22Å; L510-F619 HydrophobicContact CD2-CD2 3.55Å; L510-F619 HydrophobicContact CD2-CE1 4.45Å; L510-F619 HydrophobicContact CD2-CE2 3.43Å; L510-F619 VanDerWaalsContact CD2-CE2 3.43Å; L510-F619 HydrophobicContact CD2-CG 4.11Å; L510-F619 HydrophobicContact CD2-CZ 3.92Å; L510-F619 HydrophobicContact CG-CD2 3.9Å; L510-F619 HydrophobicContact CG-CE2 3.44Å; L510-F619 VanDerWaalsContact CG-CE2 3.44Å; L510-F619 HydrophobicContact CG-CZ 4.12Å; L510-R622 HydrophobicContact CD1-CB 4.17Å; L510-R622 VanDerWaalsContact CD1-CZ 3.46Å; L510-R622 HydrophobicContact CD2-CB 3.71Å; L510-I623 HydrophobicContact CD2-CG1 3.92Å |
| 511 | Y | 90.6 | Very high | 86.9 | Confident | 13 Ų | 13 | 18.6 Ų | 18.6 | 5% | 0.051 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.2 | -49.8 | 175.2 | -178.2 | -93.1 | 0 | 0 | 0 | 112.2 | T507 C508 F509 R515 T560 Q563 F712 L713 I714 | T507-Y511 WeakPolarHBondContact O-CB 3.47Å; T507-Y511 PolarHBondContact O-N 2.8Å; C508-Y511 WeakPolarHBondContact O-CB 3.26Å; C508-Y511 PolarHBondContact O-N 3Å; F509-Y511 VanDerWaalsContact C-N 3.35Å; F509-Y511 PolarHBondContact O-N 2.73Å; Y511-R515 WeakPolarHBondContact O-CG 3.34Å; Y511-R515 PolarHBondContact O-N 3.25Å; Y511-T560 HydrophobicContact CE1-CG2 3.67Å; Y511-Q563 VanDerWaalsContact CD1-NE2 3.35Å; Y511-F712 HydrophobicContact CD2-CB 4.4Å; Y511-F712 HydrophobicContact CD2-CD1 4.24Å; Y511-F712 HydrophobicContact CG-CD1 4.3Å; Y511-L713 VanDerWaalsContact CE2-O 3.31Å; Y511-L713 WeakPolarHBondContact CE2-O 3.36Å; Y511-L713 PolarHBondContact OH-O 3.36Å; Y511-I714 HydrophobicContact CD2-CD1 3.76Å; Y511-I714 HydrophobicContact CD2-CG1 3.37Å; Y511-I714 HydrophobicContact CE2-CD1 4.31Å; Y511-I714 HydrophobicContact CE2-CG1 3.41Å; Y511-I714 VanDerWaalsContact CE2-CG1 3.41Å |
| 512 | I | 89.6 | Confident | 86 | Confident | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.3 | -47.5 | 176 | -77.1 | 167.7 | 0 | 0 | 0 | 111 | M432 C508 F509 T514 R515 S516 F545 Q557 A559 | M432-I512 HydrophobicContact CB-CD1 3.8Å; M432-I512 HydrophobicContact CG-CD1 3.58Å; M432-I512 HydrophobicContact SD-CD1 4.12Å; C508-I512 WeakPolarHBondContact O-CB 3.27Å; C508-I512 WeakPolarHBondContact O-CG1 3.41Å; C508-I512 PolarHBondContact O-N 3.34Å; F509-I512 PolarHBondContact O-N 2.76Å; I512-T514 PolarHBondContact O-N 3.19Å; I512-R515 PolarHBondContact O-N 3.06Å; I512-S516 WeakPolarHBondContact O-CB 3.21Å; I512-S516 PolarHBondContact O-N 3.45Å; I512-F545 HydrophobicContact CG2-CE1 3.75Å; I512-F545 HydrophobicContact CG2-CE2 3.81Å; I512-F545 HydrophobicContact CG2-CZ 3.24Å; I512-Q557 WeakPolarHBondContact CG2-O 3.39Å; I512-A559 HydrophobicContact CD1-CB 4.08Å |
| 513 | S | 88.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63 | -42.8 | -177.5 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | T450 F509 L510 R515 S516 L517 V541 | T450-S513 WeakPolarHBondContact CG2-OG 3.47Å; F509-S513 WeakPolarHBondContact CE1-OG 3.3Å; F509-S513 VanDerWaalsContact O-CB 3.24Å; F509-S513 WeakPolarHBondContact O-CB 3.46Å; F509-S513 PolarHBondContact O-N 2.82Å; F509-S513 PolarHBondContact O-OG 2.82Å; L510-S513 PolarHBondContact O-N 3.27Å; S513-R515 PolarHBondContact O-N 3.27Å; S513-S516 WeakPolarHBondContact O-CB 3.35Å; S513-S516 PolarHBondContact O-N 2.91Å; S513-L517 WeakPolarHBondContact O-CB 3.43Å; S513-L517 WeakPolarHBondContact O-CG 3.47Å; S513-L517 PolarHBondContact O-N 3.26Å; S513-V541 WeakPolarHBondContact OG-CG1 3.43Å |
| 514 | T | 84.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.9 | -46.3 | 175.1 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | L510 I512 S516 S518 | L510-T514 WeakPolarHBondContact O-CB 3.4Å; L510-T514 PolarHBondContact O-N 3.23Å; L510-T514 PolarHBondContact O-OG1 3.4Å; I512-T514 PolarHBondContact O-N 3.19Å; T514-S516 VanDerWaalsContact C-N 3.34Å; T514-S516 PolarHBondContact O-N 3.22Å; T514-S518 WeakPolarHBondContact O-CB 3.46Å; T514-S518 PolarHBondContact O-N 3.39Å; T514-S518 PolarHBondContact O-OG 3.37Å |
| 515 | R | 84.8 | Confident | 83.4 | Confident | 32 Ų | 32 | 23 Ų | 23 | 12% | 0.121 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.5 | -34.8 | 177.4 | -68.9 | 165.6 | 77.5 | -143.2 | 15.4 | 112.6 | Y511 I512 S513 S518 V556 L558 Y718 | Y511-R515 WeakPolarHBondContact O-CG 3.34Å; Y511-R515 PolarHBondContact O-N 3.25Å; I512-R515 PolarHBondContact O-N 3.06Å; S513-R515 PolarHBondContact O-N 3.27Å; R515-S518 PolarHBondContact O-OG 3.44Å; R515-V556 PolarHBondContact NE-O 3.11Å; R515-V556 PolarHBondContact NH1-O 3.27Å; R515-V556 PolarHBondContact NH2-O 3.15Å; R515-L558 PolarHBondContact NH1-O 3.31Å; R515-Y718 HydrophobicContact CB-CE1 4.15Å; R515-Y718 HydrophobicContact CG-CD1 4.19Å; R515-Y718 HydrophobicContact CG-CE1 3.88Å |
| 516 | S | 85.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.6 | -53.4 | 178.1 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | I512 S513 T514 S518 K519 G542 F545 | I512-S516 WeakPolarHBondContact O-CB 3.21Å; I512-S516 PolarHBondContact O-N 3.45Å; S513-S516 WeakPolarHBondContact O-CB 3.35Å; S513-S516 PolarHBondContact O-N 2.91Å; T514-S516 VanDerWaalsContact C-N 3.34Å; T514-S516 PolarHBondContact O-N 3.22Å; S516-S518 VanDerWaalsContact C-N 3.31Å; S516-S518 PolarHBondContact O-N 2.85Å; S516-K519 PolarHBondContact O-N 3.36Å; S516-G542 WeakPolarHBondContact OG-CA 3.45Å; S516-G542 PolarHBondContact OG-N 3.07Å; S516-F545 WeakPolarHBondContact OG-CD2 3.14Å |
| 517 | L | 82.5 | Confident | 81.5 | Confident | 43 Ų | 43 | 28.4 Ų | 28.4 | 23% | 0.225 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.7 | -29.9 | -179.8 | -73.3 | 169.5 | 0 | 0 | 0 | 114 | S513 K519 V541 C722 | S513-L517 WeakPolarHBondContact O-CB 3.43Å; S513-L517 WeakPolarHBondContact O-CG 3.47Å; S513-L517 PolarHBondContact O-N 3.26Å; L517-K519 PolarHBondContact O-N 3.16Å; L517-V541 WeakPolarHBondContact CD2-O 3.38Å; L517-C722 HydrophobicContact CB-CB 3.82Å; L517-C722 VanDerWaalsContact CD1-C 3.48Å; L517-C722 HydrophobicContact CD1-CB 3.67Å; L517-C722 WeakPolarHBondContact CD1-O 3.19Å; L517-C722 HydrophobicContact CG-CB 4.4Å |
| 518 | S | 72.4 | Confident | 80.4 | Confident | 55 Ų | 55 | 28.4 Ų | 28.4 | 39% | 0.385 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -10.9 | 177.9 | 69.9 | 0 | 0 | 0 | 0 | 114.9 | T514 R515 S516 Y718 | T514-S518 WeakPolarHBondContact O-CB 3.46Å; T514-S518 PolarHBondContact O-N 3.39Å; T514-S518 PolarHBondContact O-OG 3.37Å; R515-S518 PolarHBondContact O-OG 3.44Å; S516-S518 VanDerWaalsContact C-N 3.31Å; S516-S518 PolarHBondContact O-N 2.85Å; S518-Y718 WeakPolarHBondContact OG-CD1 3.4Å; S518-Y718 WeakPolarHBondContact OG-CE1 3.48Å |
| 519 | K | 73.3 | Confident | 79.3 | Confident | 80 Ų | 80 | 28.8 Ų | 28.8 | 35% | 0.348 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -102 | 149.4 | -180 | -76.7 | -166.7 | 170.5 | -165.1 | 0 | 111.1 | S516 L517 N521 | S516-K519 PolarHBondContact O-N 3.36Å; L517-K519 PolarHBondContact O-N 3.16Å; K519-N521 PolarHBondContact O-N 3.17Å |
| 520 | T | 62.7 | Low | 78.1 | Confident | 131 Ų | 131 | 32.9 Ų | 32.9 | 80% | 0.804 | 19% | 0.188 | S | C | * | . | P | Polyproline II helix | trans | -62.8 | 122.6 | 166 | 50.5 | 0 | 0 | 0 | 0 | 109.8 | ||
| 521 | N | 75.6 | Confident | 76.7 | Confident | 32 Ų | 32 | 34.7 Ų | 34.7 | 17% | 0.171 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 156.5 | 175 | -54.8 | -69.4 | 0 | 0 | 0 | 111.1 | K519 Q526 G542 L543 D544 | K519-N521 PolarHBondContact O-N 3.17Å; N521-Q526 HydrophobicContact CB-CG 4.16Å; N521-Q526 PolarHBondContact O-NE2 3.33Å; N521-G542 WeakPolarHBondContact OD1-CA 3.48Å; N521-L543 HydrophobicContact CB-CB 4.1Å; N521-L543 HydrophobicContact CB-CD1 4.3Å; N521-L543 HydrophobicContact CB-CG 4.49Å; N521-L543 PolarHBondContact OD1-N 2.9Å; N521-D544 WeakPolarHBondContact CA-OD2 3.48Å |
| 522 | S | 74.3 | Confident | 75.3 | Confident | 21 Ų | 21 | 35.5 Ų | 35.5 | 15% | 0.147 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -58.4 | 148.7 | 171.8 | 64.1 | 0 | 0 | 0 | 0 | 112.7 | Y524 A525 Q526 D544 | S522-Y524 PolarHBondContact O-N 3.4Å; S522-A525 PolarHBondContact O-N 3.09Å; S522-A525 VanDerWaalsContact O-N 3.09Å; S522-A525 VanDerWaalsContact OG-CB 3.23Å; S522-A525 WeakPolarHBondContact OG-CB 3.29Å; S522-A525 PolarHBondContact OG-N 3.33Å; S522-Q526 WeakPolarHBondContact O-CG 3.47Å; S522-Q526 PolarHBondContact O-N 2.86Å; S522-D544 VanDerWaalsContact CB-OD1 3.25Å; S522-D544 WeakPolarHBondContact CB-OD1 3.24Å; S522-D544 PolarHBondContact N-OD1 3.3Å; S522-D544 PolarHBondContact N-OD2 3.48Å; S522-D544 PolarHBondContact OG-OD1 3.02Å |
| 523 | T | 73.1 | Confident | 73.6 | Confident | 70 Ų | 70 | 39.2 Ų | 39.2 | 43% | 0.429 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -54.7 | -39.5 | 172.8 | 29.4 | 0 | 0 | 0 | 0 | 112.1 | M295 A525 Q526 S527 | M295-T523 PolarHBondContact O-OG1 2.97Å; T523-A525 PolarHBondContact O-N 3.2Å; T523-Q526 PolarHBondContact O-N 3.23Å; T523-S527 WeakPolarHBondContact O-CB 3.39Å; T523-S527 PolarHBondContact O-N 3.16Å |
| 524 | Y | 76 | Confident | 71.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.4 | -44.8 | 173.6 | -179.5 | -83.5 | 0 | 0 | 0 | 113.2 | Q291 P305 H306 S522 L528 L548 | Q291-Y524 HydrophobicContact CG-CE1 4.34Å; Q291-Y524 HydrophobicContact CG-CE2 4.39Å; Q291-Y524 PolarHBondContact NE2-OH 3.15Å; P305-Y524 HydrophobicContact CB-CE2 4.17Å; H306-Y524 AromaticContact CD2-CE1 3.71Å; H306-Y524 AromaticContact CD2-CE2 3.57Å; H306-Y524 AromaticContact CD2-CZ 3.31Å; H306-Y524 PolarHBondContact CD2-OH 3.27Å; H306-Y524 AromaticContact NE2-CD2 3.83Å; H306-Y524 AromaticContact NE2-CE2 3.75Å; H306-Y524 AromaticContact NE2-CZ 3.86Å; H306-Y524 PolarHBondContact NE2-O 2.83Å; H306-Y524 VanDerWaalsContact NE2-O 3.08Å; S522-Y524 PolarHBondContact O-N 3.4Å; Y524-L528 PolarHBondContact O-N 3.18Å; Y524-L548 HydrophobicContact CD1-CD2 4.01Å; Y524-L548 HydrophobicContact CE1-CD2 4.24Å |
| 525 | A | 75.6 | Confident | 70.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.2 | -34.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S522 T523 S529 L543 D544 F547 | S522-A525 PolarHBondContact O-N 3.09Å; S522-A525 VanDerWaalsContact O-N 3.09Å; S522-A525 VanDerWaalsContact OG-CB 3.23Å; S522-A525 WeakPolarHBondContact OG-CB 3.29Å; S522-A525 PolarHBondContact OG-N 3.33Å; T523-A525 PolarHBondContact O-N 3.2Å; A525-S529 WeakPolarHBondContact O-CB 3.38Å; A525-S529 PolarHBondContact O-N 3.47Å; A525-S529 VanDerWaalsContact O-N 3.1Å; A525-L543 HydrophobicContact CB-CB 3.88Å; A525-D544 VanDerWaalsContact CB-OD1 3.29Å; A525-D544 WeakPolarHBondContact CB-OD1 3.4Å; A525-F547 HydrophobicContact CB-CD2 4.01Å |
| 526 | Q | 75.7 | Confident | 68.6 | Low | 97 Ų | 97 | 49.8 Ų | 49.8 | 45% | 0.453 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 173.9 | -68 | 179 | 31 | 0 | 0 | 111.5 | N521 S522 T523 L528 S529 S530 | N521-Q526 HydrophobicContact CB-CG 4.16Å; N521-Q526 PolarHBondContact O-NE2 3.33Å; S522-Q526 WeakPolarHBondContact O-CG 3.47Å; S522-Q526 PolarHBondContact O-N 2.86Å; T523-Q526 PolarHBondContact O-N 3.23Å; Q526-L528 PolarHBondContact O-N 3.45Å; Q526-S529 WeakPolarHBondContact O-CB 3.2Å; Q526-S529 PolarHBondContact O-N 3.13Å; Q526-S530 PolarHBondContact O-N 2.84Å; Q526-S530 VanDerWaalsContact O-N 3.09Å |
| 527 | S | 73 | Confident | 67 | Low | 18 Ų | 18 | 54.4 Ų | 54.4 | 13% | 0.126 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -54.8 | -51.1 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | H306 T523 S529 S530 Q531 | H306-S527 PolarHBondContact CE1-OG 3.43Å; T523-S527 WeakPolarHBondContact O-CB 3.39Å; T523-S527 PolarHBondContact O-N 3.16Å; S527-S529 PolarHBondContact O-N 2.57Å; S527-S530 WeakPolarHBondContact O-CB 3.35Å; S527-S530 PolarHBondContact O-N 3.33Å; S527-S530 PolarHBondContact O-OG 2.94Å; S527-Q531 PolarHBondContact O-N 3.08Å |
| 528 | L | 70.9 | Confident | 66.1 | Low | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.7 | -35.6 | 178.4 | -158.6 | 94.8 | 0 | 0 | 0 | 113 | H306 F357 Y524 Q526 S530 Q531 L532 F547 | H306-L528 HydrophobicContact CB-CD1 3.74Å; H306-L528 WeakPolarHBondContact CD2-CD1 3.26Å; F357-L528 HydrophobicContact CD1-CD1 3.72Å; F357-L528 HydrophobicContact CD1-CD2 3.67Å; F357-L528 HydrophobicContact CD1-CG 4.37Å; F357-L528 HydrophobicContact CE1-CD1 3.91Å; F357-L528 HydrophobicContact CE1-CD2 3.7Å; F357-L528 HydrophobicContact CE1-CG 4.43Å; Y524-L528 PolarHBondContact O-N 3.18Å; Q526-L528 PolarHBondContact O-N 3.45Å; L528-S530 PolarHBondContact O-N 3.09Å; L528-Q531 PolarHBondContact O-N 2.77Å; L528-L532 HydrophobicContact CD2-CD1 4Å; L528-L532 HydrophobicContact CG-CD1 4.37Å; L528-L532 PolarHBondContact O-N 2.77Å; L528-L532 VanDerWaalsContact O-N 3.11Å; L528-F547 HydrophobicContact CB-CD2 4.35Å; L528-F547 HydrophobicContact CD2-CB 4.38Å; L528-F547 HydrophobicContact CD2-CD1 3.33Å; L528-F547 HydrophobicContact CD2-CD2 4.14Å; L528-F547 HydrophobicContact CD2-CE1 3.52Å; L528-F547 HydrophobicContact CD2-CE2 4.28Å; L528-F547 HydrophobicContact CD2-CG 3.69Å; L528-F547 HydrophobicContact CD2-CZ 3.99Å |
| 529 | S | 71.5 | Confident | 66.1 | Low | 7 Ų | 7 | 53.4 Ų | 53.4 | 5% | 0.049 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.6 | -33.1 | 175.8 | -166.7 | 0 | 0 | 0 | 0 | 112.5 | A525 Q526 S527 F534 | A525-S529 WeakPolarHBondContact O-CB 3.38Å; A525-S529 PolarHBondContact O-N 3.47Å; A525-S529 VanDerWaalsContact O-N 3.1Å; Q526-S529 WeakPolarHBondContact O-CB 3.2Å; Q526-S529 PolarHBondContact O-N 3.13Å; S527-S529 PolarHBondContact O-N 2.57Å; S529-F534 PolarHBondContact O-N 3.02Å; S529-F534 VanDerWaalsContact O-N 3.09Å; S529-F534 PolarHBondContact OG-O 3.02Å; S529-F534 VanDerWaalsContact OG-O 3.1Å |
| 530 | S | 67.4 | Low | 66.3 | Low | 88 Ų | 88 | 49.6 Ų | 49.6 | 62% | 0.615 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -66.6 | -46.9 | 177 | 78.9 | 0 | 0 | 0 | 0 | 111.9 | Q526 S527 L528 L532 A533 | Q526-S530 PolarHBondContact O-N 2.84Å; Q526-S530 VanDerWaalsContact O-N 3.09Å; S527-S530 WeakPolarHBondContact O-CB 3.35Å; S527-S530 PolarHBondContact O-N 3.33Å; S527-S530 PolarHBondContact O-OG 2.94Å; L528-S530 PolarHBondContact O-N 3.09Å; S530-L532 VanDerWaalsContact C-N 3.35Å; S530-L532 PolarHBondContact O-N 3.41Å; S530-A533 PolarHBondContact O-N 3.06Å |
| 531 | Q | 62.6 | Low | 67.4 | Low | 39 Ų | 39 | 43.4 Ų | 43.4 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 176.3 | -64.1 | 166.6 | -6.9 | 0 | 0 | 112 | D303 S360 K363 S527 L528 A533 | D303-Q531 PolarHBondContact OD1-NE2 2.75Å; S360-Q531 VanDerWaalsContact OG-CB 3.27Å; S360-Q531 WeakPolarHBondContact OG-CB 3.35Å; S360-Q531 PolarHBondContact OG-OE1 3.09Å; S360-Q531 VanDerWaalsContact OG-OE1 3.04Å; K363-Q531 PolarHBondContact NZ-O 3.36Å; S527-Q531 PolarHBondContact O-N 3.08Å; L528-Q531 PolarHBondContact O-N 2.77Å; Q531-A533 PolarHBondContact O-N 3.28Å |
| 532 | L | 60.9 | Low | 67.7 | Low | 30 Ų | 30 | 42 Ų | 42 | 16% | 0.157 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -11.8 | 176.9 | -77.9 | 162.3 | 0 | 0 | 0 | 113 | A359 K363 L528 S530 F534 F547 | A359-L532 HydrophobicContact CB-CD2 4.29Å; K363-L532 PolarHBondContact NZ-O 2.99Å; L528-L532 HydrophobicContact CD2-CD1 4Å; L528-L532 HydrophobicContact CG-CD1 4.37Å; L528-L532 PolarHBondContact O-N 2.77Å; L528-L532 VanDerWaalsContact O-N 3.11Å; S530-L532 VanDerWaalsContact C-N 3.35Å; S530-L532 PolarHBondContact O-N 3.41Å; L532-F534 HydrophobicContact CB-CB 3.78Å; L532-F534 PolarHBondContact O-N 3.03Å; L532-F547 HydrophobicContact CD1-CE1 3.67Å; L532-F547 HydrophobicContact CD1-CE2 4.47Å; L532-F547 HydrophobicContact CD1-CZ 3.45Å; L532-F547 VanDerWaalsContact CD1-CZ 3.45Å |
| 533 | A | 53.9 | Low | 68.2 | Low | 79 Ų | 79 | 41.2 Ų | 41.2 | 65% | 0.653 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 31.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S530 Q531 | S530-A533 PolarHBondContact O-N 3.06Å; Q531-A533 PolarHBondContact O-N 3.28Å |
| 534 | F | 53.6 | Low | 68.8 | Low | 34 Ų | 34 | 38.4 Ų | 38.4 | 15% | 0.149 | 22% | 0.221 | C | C | . | . | trans | -89.7 | 110.2 | -173.4 | -164.3 | -81.9 | 0 | 0 | 0 | 108.8 | F441 S529 L532 S536 I538 L543 | F441-F534 HydrophobicContact CE1-CE2 4.26Å; S529-F534 PolarHBondContact O-N 3.02Å; S529-F534 VanDerWaalsContact O-N 3.09Å; S529-F534 PolarHBondContact OG-O 3.02Å; S529-F534 VanDerWaalsContact OG-O 3.1Å; L532-F534 HydrophobicContact CB-CB 3.78Å; L532-F534 PolarHBondContact O-N 3.03Å; F534-S536 PolarHBondContact O-N 3.13Å; F534-I538 HydrophobicContact CE1-CB 4.35Å; F534-I538 HydrophobicContact CZ-CB 4.24Å; F534-I538 HydrophobicContact CZ-CG2 4.48Å; F534-L543 HydrophobicContact CD1-CD2 4.48Å | ||
| 535 | K | 51.1 | Low | 69.3 | Low | 152 Ų | 152 | 38.5 Ų | 38.5 | 66% | 0.661 | 22% | 0.221 | S | C | * | . | trans | -64.6 | 121.2 | 168.6 | -72.3 | -172.5 | 177.4 | -177.1 | 0 | 107.9 | T537 I538 | K535-T537 PolarHBondContact O-N 3.26Å; K535-I538 HydrophobicContact CB-CD1 3.99Å; K535-I538 HydrophobicContact CB-CG1 4.18Å; K535-I538 PolarHBondContact O-N 2.86Å | ||
| 536 | S | 49.8 | Very low | 69.7 | Low | 69 Ų | 69 | 38.5 Ų | 38.5 | 48% | 0.483 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -55.8 | -20.1 | -179.5 | 54 | 0 | 0 | 0 | 0 | 114 | F534 I538 S539 | F534-S536 PolarHBondContact O-N 3.13Å; S536-I538 PolarHBondContact O-N 3.29Å; S536-S539 PolarHBondContact O-OG 3.09Å |
| 537 | T | 52 | Low | 70.2 | Confident | 96 Ų | 96 | 34 Ų | 34 | 59% | 0.589 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -66.4 | -17.8 | 173.1 | 48.3 | 0 | 0 | 0 | 0 | 114.6 | F449 K535 | F449-T537 VanDerWaalsContact CD2-O 3.22Å; F449-T537 WeakPolarHBondContact CD2-O 3.49Å; K535-T537 PolarHBondContact O-N 3.26Å |
| 538 | I | 63.5 | Low | 71.1 | Confident | 75 Ų | 75 | 33.3 Ų | 33.3 | 39% | 0.385 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -99.2 | -9.3 | -170.3 | -54.3 | 177.9 | 0 | 0 | 0 | 113 | F449 F534 K535 S536 | F449-I538 HydrophobicContact CD1-CG2 4.23Å; F449-I538 HydrophobicContact CE1-CG2 4.04Å; F449-I538 HydrophobicContact CE2-CB 4.47Å; F449-I538 HydrophobicContact CE2-CG1 4.28Å; F449-I538 HydrophobicContact CZ-CG1 4.28Å; F449-I538 HydrophobicContact CZ-CG2 4.21Å; F534-I538 HydrophobicContact CE1-CB 4.35Å; F534-I538 HydrophobicContact CZ-CB 4.24Å; F534-I538 HydrophobicContact CZ-CG2 4.48Å; K535-I538 HydrophobicContact CB-CD1 3.99Å; K535-I538 HydrophobicContact CB-CG1 4.18Å; K535-I538 PolarHBondContact O-N 2.86Å; S536-I538 PolarHBondContact O-N 3.29Å |
| 539 | S | 72.2 | Confident | 72.1 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -73.5 | -28.9 | -178.5 | 49.1 | 0 | 0 | 0 | 0 | 113.8 | R455 S536 V541 | R455-S539 VanDerWaalsContact CZ-O 3.31Å; R455-S539 PolarHBondContact NH1-O 3.44Å; R455-S539 PolarHBondContact NH2-O 2.99Å; S536-S539 PolarHBondContact O-OG 3.09Å; S539-V541 VanDerWaalsContact CB-O 3.29Å; S539-V541 WeakPolarHBondContact CB-O 3.38Å; S539-V541 PolarHBondContact O-N 3.3Å; S539-V541 VanDerWaalsContact O-N 3.07Å; S539-V541 PolarHBondContact OG-O 3.15Å |
| 540 | G | 77.7 | Confident | 73.1 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 64.3 | 3.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | T450 | T450-G540 WeakPolarHBondContact CB-O 3.27Å; T450-G540 WeakPolarHBondContact CG2-O 3.38Å; T450-G540 PolarHBondContact OG1-O 3.39Å |
| 541 | V | 84.4 | Confident | 74.2 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -146.2 | 155.8 | 176.5 | -64.6 | 0 | 0 | 0 | 0 | 109.3 | A436 F509 S513 L517 S539 F545 L546 | A436-V541 HydrophobicContact CB-CG1 4.29Å; A436-V541 HydrophobicContact CB-CG2 4.38Å; F509-V541 HydrophobicContact CE1-CG1 4.31Å; F509-V541 HydrophobicContact CE2-CG1 4.4Å; F509-V541 HydrophobicContact CZ-CG1 3.67Å; S513-V541 WeakPolarHBondContact OG-CG1 3.43Å; L517-V541 WeakPolarHBondContact CD2-O 3.38Å; S539-V541 VanDerWaalsContact CB-O 3.29Å; S539-V541 WeakPolarHBondContact CB-O 3.38Å; S539-V541 PolarHBondContact O-N 3.3Å; S539-V541 VanDerWaalsContact O-N 3.07Å; S539-V541 PolarHBondContact OG-O 3.15Å; V541-F545 HydrophobicContact CB-CB 4.47Å; V541-F545 HydrophobicContact CG2-CB 4.39Å; V541-L546 HydrophobicContact CG2-CD1 4.16Å; V541-L546 HydrophobicContact CG2-CD2 3.77Å; V541-L546 HydrophobicContact CG2-CG 3.84Å |
| 542 | G | 83.5 | Confident | 75.5 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | trans | -59 | 145.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S516 N521 D544 F545 | S516-G542 WeakPolarHBondContact OG-CA 3.45Å; S516-G542 PolarHBondContact OG-N 3.07Å; N521-G542 WeakPolarHBondContact OD1-CA 3.48Å; G542-D544 PolarHBondContact O-N 3.26Å; G542-F545 WeakPolarHBondContact O-CB 3.45Å; G542-F545 PolarHBondContact O-N 2.87Å | ||
| 543 | L | 83.9 | Confident | 76.8 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -30.1 | -174.5 | -58 | 172.5 | 0 | 0 | 0 | 112.4 | N521 A525 F534 F545 L546 F547 | N521-L543 HydrophobicContact CB-CB 4.1Å; N521-L543 HydrophobicContact CB-CD1 4.3Å; N521-L543 HydrophobicContact CB-CG 4.49Å; N521-L543 PolarHBondContact OD1-N 2.9Å; A525-L543 HydrophobicContact CB-CB 3.88Å; F534-L543 HydrophobicContact CD1-CD2 4.48Å; L543-F545 PolarHBondContact O-N 2.82Å; L543-L546 PolarHBondContact O-N 3.39Å; L543-F547 HydrophobicContact CB-CD2 4.15Å; L543-F547 HydrophobicContact CB-CE2 4.11Å; L543-F547 HydrophobicContact CD2-CE2 4.13Å; L543-F547 WeakPolarHBondContact O-CD2 3.25Å; L543-F547 PolarHBondContact O-N 3.34Å; L543-F547 VanDerWaalsContact O-N 3.07Å |
| 544 | D | 85.7 | Confident | 78.1 | Confident | 12 Ų | 12 | 27.1 Ų | 27.1 | 6% | 0.064 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.3 | -32.4 | 174.8 | -65 | -27.7 | 0 | 0 | 0 | 112.1 | N521 S522 A525 G542 L546 L548 | N521-D544 WeakPolarHBondContact CA-OD2 3.48Å; S522-D544 VanDerWaalsContact CB-OD1 3.25Å; S522-D544 WeakPolarHBondContact CB-OD1 3.24Å; S522-D544 PolarHBondContact N-OD1 3.3Å; S522-D544 PolarHBondContact N-OD2 3.48Å; S522-D544 PolarHBondContact OG-OD1 3.02Å; A525-D544 VanDerWaalsContact CB-OD1 3.29Å; A525-D544 WeakPolarHBondContact CB-OD1 3.4Å; G542-D544 PolarHBondContact O-N 3.26Å; D544-L546 VanDerWaalsContact C-N 3.26Å; D544-L546 PolarHBondContact O-N 3.4Å; D544-L548 HydrophobicContact CB-CD1 4.04Å; D544-L548 VanDerWaalsContact O-CB 3.27Å; D544-L548 WeakPolarHBondContact O-CB 3.4Å; D544-L548 PolarHBondContact O-N 2.86Å |
| 545 | F | 86.5 | Confident | 79.2 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.9 | -23.5 | 175.3 | -101.9 | -94.3 | 0 | 0 | 0 | 113.6 | W433 A436 Q437 I512 S516 V541 G542 L543 I553 Q557 L558 | W433-F545 PolarHBondContact NE1-O 3.29Å; A436-F545 HydrophobicContact CB-CB 4.37Å; A436-F545 HydrophobicContact CB-CD1 4.14Å; Q437-F545 PolarHBondContact NE2-O 2.88Å; I512-F545 HydrophobicContact CG2-CE1 3.75Å; I512-F545 HydrophobicContact CG2-CE2 3.81Å; I512-F545 HydrophobicContact CG2-CZ 3.24Å; S516-F545 WeakPolarHBondContact OG-CD2 3.14Å; V541-F545 HydrophobicContact CB-CB 4.47Å; V541-F545 HydrophobicContact CG2-CB 4.39Å; G542-F545 WeakPolarHBondContact O-CB 3.45Å; G542-F545 PolarHBondContact O-N 2.87Å; L543-F545 PolarHBondContact O-N 2.82Å; F545-I553 HydrophobicContact CB-CD1 4.5Å; F545-I553 HydrophobicContact CD1-CD1 3.82Å; F545-I553 HydrophobicContact CD2-CD1 4.34Å; F545-I553 HydrophobicContact CD2-CG2 4.23Å; F545-I553 HydrophobicContact CE1-CD1 4.08Å; F545-I553 HydrophobicContact CE2-CG2 3.84Å; F545-I553 HydrophobicContact CG-CD1 3.97Å; F545-I553 HydrophobicContact CZ-CD1 4.48Å; F545-I553 HydrophobicContact CZ-CG2 4.01Å; F545-Q557 HydrophobicContact CE2-CB 3.82Å; F545-Q557 HydrophobicContact CE2-CG 4.19Å; F545-Q557 HydrophobicContact CZ-CB 4.5Å; F545-Q557 WeakPolarHBondContact CZ-O 3.07Å; F545-L558 HydrophobicContact CE1-CD2 4.31Å; F545-L558 HydrophobicContact CZ-CD2 4.01Å |
| 546 | L | 84.3 | Confident | 80.3 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -90.9 | -41.9 | -178.2 | -59.8 | 176.8 | 0 | 0 | 0 | 111.5 | L356 A436 L439 V541 L543 D544 | L356-L546 VanDerWaalsContact CD1-O 3.29Å; L356-L546 WeakPolarHBondContact CD1-O 3.37Å; A436-L546 HydrophobicContact CB-CD2 4.48Å; A436-L546 WeakPolarHBondContact O-CD2 3.42Å; L439-L546 HydrophobicContact CD1-CD1 4.24Å; L439-L546 HydrophobicContact CD1-CD2 4.26Å; L439-L546 HydrophobicContact CD2-CD1 4.23Å; L439-L546 HydrophobicContact CD2-CD2 4.2Å; L439-L546 HydrophobicContact CG-CD2 4.34Å; V541-L546 HydrophobicContact CG2-CD1 4.16Å; V541-L546 HydrophobicContact CG2-CD2 3.77Å; V541-L546 HydrophobicContact CG2-CG 3.84Å; L543-L546 PolarHBondContact O-N 3.39Å; D544-L546 VanDerWaalsContact C-N 3.26Å; D544-L546 PolarHBondContact O-N 3.4Å |
| 547 | F | 86.7 | Confident | 81.8 | Confident | 3 Ų | 3 | 22.7 Ų | 22.7 | 1% | 0.013 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -103 | -6.8 | -168.4 | -52.3 | -45.3 | 0 | 0 | 0 | 114.8 | Q291 A525 L528 L532 L543 | Q291-F547 PolarHBondContact NE2-O 3.37Å; A525-F547 HydrophobicContact CB-CD2 4.01Å; L528-F547 HydrophobicContact CB-CD2 4.35Å; L528-F547 HydrophobicContact CD2-CB 4.38Å; L528-F547 HydrophobicContact CD2-CD1 3.33Å; L528-F547 HydrophobicContact CD2-CD2 4.14Å; L528-F547 HydrophobicContact CD2-CE1 3.52Å; L528-F547 HydrophobicContact CD2-CE2 4.28Å; L528-F547 HydrophobicContact CD2-CG 3.69Å; L528-F547 HydrophobicContact CD2-CZ 3.99Å; L532-F547 HydrophobicContact CD1-CE1 3.67Å; L532-F547 HydrophobicContact CD1-CE2 4.47Å; L532-F547 HydrophobicContact CD1-CZ 3.45Å; L532-F547 VanDerWaalsContact CD1-CZ 3.45Å; L543-F547 HydrophobicContact CB-CD2 4.15Å; L543-F547 HydrophobicContact CB-CE2 4.11Å; L543-F547 HydrophobicContact CD2-CE2 4.13Å; L543-F547 WeakPolarHBondContact O-CD2 3.25Å; L543-F547 PolarHBondContact O-N 3.34Å; L543-F547 VanDerWaalsContact O-N 3.07Å |
| 548 | L | 90.4 | Very high | 83.5 | Confident | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -111.9 | 142.6 | 174.4 | -54.5 | 179.2 | 0 | 0 | 0 | 111.5 | M295 W433 Y524 D544 L552 I553 | M295-L548 HydrophobicContact CE-CD1 4.23Å; M295-L548 HydrophobicContact SD-CD1 3.94Å; M295-L548 HydrophobicContact SD-CD2 4.16Å; W433-L548 PolarHBondContact NE1-O 3.05Å; Y524-L548 HydrophobicContact CD1-CD2 4.01Å; Y524-L548 HydrophobicContact CE1-CD2 4.24Å; D544-L548 HydrophobicContact CB-CD1 4.04Å; D544-L548 VanDerWaalsContact O-CB 3.27Å; D544-L548 WeakPolarHBondContact O-CB 3.4Å; D544-L548 PolarHBondContact O-N 2.86Å; L548-L552 HydrophobicContact CB-CB 4.13Å; L548-L552 HydrophobicContact CD1-CB 4.41Å; L548-I553 HydrophobicContact CB-CG1 4.44Å |
| 549 | P | 93.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -64.4 | 160.9 | 170.6 | 29.3 | -35.4 | 0 | 0 | 0 | 110.5 | F284 V288 L353 C551 L552 | F284-P549 HydrophobicContact CE2-CB 4.39Å; F284-P549 HydrophobicContact CZ-CB 3.91Å; V288-P549 HydrophobicContact CG2-CG 4.01Å; L353-P549 HydrophobicContact CD1-CB 3.9Å; L353-P549 HydrophobicContact CD1-CG 4.43Å; P549-C551 PolarHBondContact O-N 3.13Å; P549-C551 VanDerWaalsContact O-N 3.08Å; P549-L552 HydrophobicContact CG-CB 4.31Å; P549-L552 HydrophobicContact CG-CD1 4.13Å; P549-L552 HydrophobicContact CG-CG 4Å; P549-L552 PolarHBondContact O-N 3.38Å | ||
| 550 | L | 91.5 | Very high | 85.4 | Confident | 21 Ų | 21 | 16.5 Ų | 16.5 | 11% | 0.11 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -32.6 | -176.9 | 179.9 | 61.6 | 0 | 0 | 0 | 112.6 | Q349 N429 L430 W433 L552 I553 L558 | Q349-L550 VanDerWaalsContact OE1-CB 3.29Å; N429-L550 HydrophobicContact CB-CD1 4.07Å; N429-L550 HydrophobicContact CB-CD2 4.01Å; L430-L550 HydrophobicContact CB-CD2 4.29Å; L430-L550 HydrophobicContact CD1-CD2 4.36Å; W433-L550 HydrophobicContact CB-CD1 4.25Å; W433-L550 HydrophobicContact CG-CB 4.36Å; W433-L550 HydrophobicContact CG-CD1 4.49Å; L550-L552 VanDerWaalsContact C-N 3.27Å; L550-L552 PolarHBondContact O-N 3.49Å; L550-I553 PolarHBondContact O-N 3.42Å; L550-L558 HydrophobicContact CD1-CD1 4.18Å; L550-L558 HydrophobicContact CD1-CD2 3.55Å |
| 551 | C | 90.2 | Very high | 85.6 | Confident | 21 Ų | 21 | 20.4 Ų | 20.4 | 14% | 0.142 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -3.5 | 176.9 | 63.1 | 0 | 0 | 0 | 0 | 115 | Q242 V288 P549 | Q242-C551 WeakPolarHBondContact CG-O 3.41Å; Q242-C551 PolarHBondContact NE2-O 2.79Å; V288-C551 VanDerWaalsContact CG2-SG 3.58Å; P549-C551 PolarHBondContact O-N 3.13Å; P549-C551 VanDerWaalsContact O-N 3.08Å |
| 552 | L | 90.7 | Very high | 85.7 | Confident | 15 Ų | 15 | 20.8 Ų | 20.8 | 8% | 0.079 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -8.6 | 171.8 | -66.8 | -173 | 0 | 0 | 0 | 114 | V288 Q291 R292 L548 P549 L550 P554 | V288-L552 HydrophobicContact CG1-CD1 4Å; V288-L552 HydrophobicContact CG1-CD2 3.65Å; V288-L552 HydrophobicContact CG1-CG 3.82Å; Q291-L552 HydrophobicContact CB-CD1 3.78Å; R292-L552 HydrophobicContact CG-CD1 3.98Å; R292-L552 HydrophobicContact CG-CD2 3.38Å; R292-L552 HydrophobicContact CG-CG 4.36Å; L548-L552 HydrophobicContact CB-CB 4.13Å; L548-L552 HydrophobicContact CD1-CB 4.41Å; P549-L552 HydrophobicContact CG-CB 4.31Å; P549-L552 HydrophobicContact CG-CD1 4.13Å; P549-L552 HydrophobicContact CG-CG 4Å; P549-L552 PolarHBondContact O-N 3.38Å; L550-L552 VanDerWaalsContact C-N 3.27Å; L550-L552 PolarHBondContact O-N 3.49Å; L552-P554 WeakPolarHBondContact O-CD 3.41Å |
| 553 | I | 88.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -72.9 | 127.4 | 176.2 | -63.4 | 171.7 | 0 | 0 | 0 | 109.3 | Q242 F545 L548 L550 T555 Q557 L558 | Q242-I553 PolarHBondContact NE2-O 3.13Å; Q242-I553 VanDerWaalsContact NE2-O 3.1Å; F545-I553 HydrophobicContact CB-CD1 4.5Å; F545-I553 HydrophobicContact CD1-CD1 3.82Å; F545-I553 HydrophobicContact CD2-CD1 4.34Å; F545-I553 HydrophobicContact CD2-CG2 4.23Å; F545-I553 HydrophobicContact CE1-CD1 4.08Å; F545-I553 HydrophobicContact CE2-CG2 3.84Å; F545-I553 HydrophobicContact CG-CD1 3.97Å; F545-I553 HydrophobicContact CZ-CD1 4.48Å; F545-I553 HydrophobicContact CZ-CG2 4.01Å; L548-I553 HydrophobicContact CB-CG1 4.44Å; L550-I553 PolarHBondContact O-N 3.42Å; I553-T555 PolarHBondContact O-N 2.95Å; I553-Q557 HydrophobicContact CG2-CB 3.8Å; I553-L558 HydrophobicContact CB-CD2 4.11Å; I553-L558 HydrophobicContact CG2-CD2 3.65Å; I553-L558 HydrophobicContact CG2-CG 4.06Å |
| 554 | P | 79.9 | Confident | 86.4 | Confident | 57 Ų | 57 | 25.2 Ų | 25.2 | 37% | 0.37 | 15% | 0.146 | S | C | . | . | trans | -52.3 | 137.7 | 175.5 | -28.6 | 34.1 | 0 | 0 | 0 | 112.8 | L552 V556 Q557 L558 | L552-P554 WeakPolarHBondContact O-CD 3.41Å; P554-V556 PolarHBondContact O-N 3.33Å; P554-V556 VanDerWaalsContact O-N 3.09Å; P554-Q557 WeakPolarHBondContact O-CA 3.28Å; P554-Q557 VanDerWaalsContact O-CB 3.31Å; P554-Q557 WeakPolarHBondContact O-CB 3.46Å; P554-Q557 PolarHBondContact O-N 2.96Å; P554-L558 PolarHBondContact O-N 3.31Å | ||
| 555 | T | 76.5 | Confident | 86.5 | Confident | 89 Ų | 89 | 27.3 Ų | 27.3 | 55% | 0.546 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -28.6 | 179 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | I553 Q557 L558 | I553-T555 PolarHBondContact O-N 2.95Å; T555-Q557 PolarHBondContact O-N 2.74Å; T555-L558 PolarHBondContact O-N 2.95Å |
| 556 | V | 74.5 | Confident | 86.7 | Confident | 72 Ų | 72 | 27.2 Ų | 27.2 | 44% | 0.436 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -11.8 | 174.1 | -176.4 | 0 | 0 | 0 | 0 | 113 | R515 P554 | R515-V556 PolarHBondContact NE-O 3.11Å; R515-V556 PolarHBondContact NH1-O 3.27Å; R515-V556 PolarHBondContact NH2-O 3.15Å; P554-V556 PolarHBondContact O-N 3.33Å; P554-V556 VanDerWaalsContact O-N 3.09Å |
| 557 | Q | 82.1 | Confident | 87.1 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -19.8 | 174.9 | -104.1 | 172.5 | -0.2 | 0 | 0 | 112.2 | I512 F545 I553 P554 T555 | I512-Q557 WeakPolarHBondContact CG2-O 3.39Å; F545-Q557 HydrophobicContact CE2-CB 3.82Å; F545-Q557 HydrophobicContact CE2-CG 4.19Å; F545-Q557 HydrophobicContact CZ-CB 4.5Å; F545-Q557 WeakPolarHBondContact CZ-O 3.07Å; I553-Q557 HydrophobicContact CG2-CB 3.8Å; P554-Q557 WeakPolarHBondContact O-CA 3.28Å; P554-Q557 VanDerWaalsContact O-CB 3.31Å; P554-Q557 WeakPolarHBondContact O-CB 3.46Å; P554-Q557 PolarHBondContact O-N 2.96Å; T555-Q557 PolarHBondContact O-N 2.74Å |
| 558 | L | 87.2 | Confident | 87.2 | Confident | 12 Ų | 12 | 27.6 Ų | 27.6 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -82.4 | 175.4 | 178.7 | -59.5 | -179.9 | 0 | 0 | 0 | 113.3 | R515 F545 L550 I553 P554 T555 | R515-L558 PolarHBondContact NH1-O 3.31Å; F545-L558 HydrophobicContact CE1-CD2 4.31Å; F545-L558 HydrophobicContact CZ-CD2 4.01Å; L550-L558 HydrophobicContact CD1-CD1 4.18Å; L550-L558 HydrophobicContact CD1-CD2 3.55Å; I553-L558 HydrophobicContact CB-CD2 4.11Å; I553-L558 HydrophobicContact CG2-CD2 3.65Å; I553-L558 HydrophobicContact CG2-CG 4.06Å; P554-L558 PolarHBondContact O-N 3.31Å; T555-L558 PolarHBondContact O-N 2.95Å |
| 559 | A | 89.3 | Confident | 86.9 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | trans | -58.4 | 143.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L428 N429 I512 Q563 R564 | L428-A559 HydrophobicContact CD2-CB 3.79Å; L428-A559 HydrophobicContact CG-CB 4.22Å; N429-A559 WeakPolarHBondContact OD1-CB 3.23Å; N429-A559 PolarHBondContact OD1-N 2.94Å; I512-A559 HydrophobicContact CD1-CB 4.08Å; A559-Q563 VanDerWaalsContact CA-OE1 3.24Å; A559-Q563 HydrophobicContact CB-CB 4.24Å; A559-R564 HydrophobicContact CB-CG 4.13Å; A559-R564 PolarHBondContact O-NH1 2.92Å | ||
| 560 | T | 86.6 | Confident | 86.6 | Confident | 29 Ų | 29 | 28.3 Ų | 28.3 | 18% | 0.178 | 17% | 0.168 | C | C | . | . | trans | -67.6 | 163.1 | -178.4 | 68.8 | 0 | 0 | 0 | 0 | 112.1 | Y511 A562 Q563 R564 | Y511-T560 HydrophobicContact CE1-CG2 3.67Å; T560-A562 VanDerWaalsContact C-N 3.31Å; T560-A562 PolarHBondContact O-N 3.28Å; T560-Q563 PolarHBondContact O-N 3Å; T560-Q563 WeakPolarHBondContact OG1-CB 3.27Å; T560-Q563 VanDerWaalsContact OG1-CG 3.24Å; T560-Q563 WeakPolarHBondContact OG1-CG 3.38Å; T560-Q563 PolarHBondContact OG1-N 2.86Å; T560-Q563 VanDerWaalsContact OG1-N 3.11Å; T560-R564 WeakPolarHBondContact O-CG 3.48Å; T560-R564 PolarHBondContact O-N 2.88Å | ||
| 561 | S | 82.7 | Confident | 86.2 | Confident | 84 Ų | 84 | 27.5 Ų | 27.5 | 59% | 0.587 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -55.5 | -46.3 | 171.8 | 46.7 | 0 | 0 | 0 | 0 | 111.4 | Q563 R564 S565 | S561-Q563 PolarHBondContact O-N 3.29Å; S561-R564 PolarHBondContact O-N 2.95Å; S561-S565 WeakPolarHBondContact O-CB 3.49Å; S561-S565 PolarHBondContact O-N 2.78Å; S561-S565 PolarHBondContact O-OG 3.21Å; S561-S565 VanDerWaalsContact O-OG 3.11Å |
| 562 | A | 85.8 | Confident | 85.6 | Confident | 9 Ų | 9 | 29.2 Ų | 29.2 | 7% | 0.074 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T560 R564 S565 W566 F590 L711 | T560-A562 VanDerWaalsContact C-N 3.31Å; T560-A562 PolarHBondContact O-N 3.28Å; A562-R564 PolarHBondContact O-N 2.86Å; A562-S565 PolarHBondContact O-N 3.34Å; A562-W566 WeakPolarHBondContact O-CB 3.23Å; A562-W566 PolarHBondContact O-N 2.97Å; A562-F590 HydrophobicContact CB-CZ 4.49Å; A562-L711 HydrophobicContact CB-CD2 4.15Å |
| 563 | Q | 91.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.8 | -44.3 | 175.3 | -72.4 | 162.9 | -0.8 | 0 | 0 | 111.8 | L428 F504 Y511 A559 T560 S561 W567 L711 F712 | L428-Q563 HydrophobicContact CD2-CB 4.24Å; F504-Q563 HydrophobicContact CE2-CG 4.48Å; F504-Q563 HydrophobicContact CZ-CB 4.17Å; Y511-Q563 VanDerWaalsContact CD1-NE2 3.35Å; A559-Q563 VanDerWaalsContact CA-OE1 3.24Å; A559-Q563 HydrophobicContact CB-CB 4.24Å; T560-Q563 PolarHBondContact O-N 3Å; T560-Q563 WeakPolarHBondContact OG1-CB 3.27Å; T560-Q563 VanDerWaalsContact OG1-CG 3.24Å; T560-Q563 WeakPolarHBondContact OG1-CG 3.38Å; T560-Q563 PolarHBondContact OG1-N 2.86Å; T560-Q563 VanDerWaalsContact OG1-N 3.11Å; S561-Q563 PolarHBondContact O-N 3.29Å; Q563-W567 WeakPolarHBondContact O-CB 3.29Å; Q563-W567 PolarHBondContact O-N 3.35Å; Q563-L711 VanDerWaalsContact CG-O 3.29Å; Q563-L711 WeakPolarHBondContact CG-O 3.2Å; Q563-L711 PolarHBondContact NE2-O 3.24Å; Q563-F712 HydrophobicContact CG-CE1 4.14Å; Q563-F712 VanDerWaalsContact NE2-CD1 3.29Å |
| 564 | R | 91 | Very high | 84 | Confident | 99 Ų | 99 | 30.5 Ų | 30.5 | 37% | 0.374 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -67.1 | -40.8 | 177.4 | -67.4 | -171.6 | -55.4 | -118 | 13.3 | 112.4 | L428 A559 T560 S561 A562 W567 S568 | L428-R564 HydrophobicContact CD2-CG 4.23Å; A559-R564 HydrophobicContact CB-CG 4.13Å; A559-R564 PolarHBondContact O-NH1 2.92Å; T560-R564 WeakPolarHBondContact O-CG 3.48Å; T560-R564 PolarHBondContact O-N 2.88Å; S561-R564 PolarHBondContact O-N 2.95Å; A562-R564 PolarHBondContact O-N 2.86Å; R564-W567 PolarHBondContact O-N 3.31Å; R564-S568 WeakPolarHBondContact O-CB 3.43Å; R564-S568 PolarHBondContact O-N 3.01Å |
| 565 | S | 87.5 | Confident | 83.1 | Confident | 55 Ų | 55 | 30.3 Ų | 30.3 | 39% | 0.385 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65 | -42.6 | 176 | -64 | 0 | 0 | 0 | 0 | 111.7 | S561 A562 S568 L569 | S561-S565 WeakPolarHBondContact O-CB 3.49Å; S561-S565 PolarHBondContact O-N 2.78Å; S561-S565 PolarHBondContact O-OG 3.21Å; S561-S565 VanDerWaalsContact O-OG 3.11Å; A562-S565 PolarHBondContact O-N 3.34Å; S565-S568 PolarHBondContact O-N 3.24Å; S565-L569 WeakPolarHBondContact O-CG 3.5Å; S565-L569 PolarHBondContact O-N 3.06Å |
| 566 | W | 91.3 | Very high | 82.3 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.2 | -41.9 | 176.1 | -169.7 | 88.8 | 0 | 0 | 0 | 111.8 | F504 A562 L569 L570 F590 F591 L598 L711 | F504-W566 HydrophobicContact CB-CH2 4.34Å; F504-W566 HydrophobicContact CB-CZ3 3.85Å; F504-W566 HydrophobicContact CD1-CE3 4.2Å; F504-W566 AromaticContact CD1-CZ3 3.9Å; F504-W566 HydrophobicContact CD1-CZ3 3.9Å; F504-W566 HydrophobicContact CD2-CD2 4.37Å; F504-W566 AromaticContact CD2-CE3 3.5Å; F504-W566 HydrophobicContact CD2-CE3 3.5Å; F504-W566 VanDerWaalsContact CD2-CE3 3.5Å; F504-W566 HydrophobicContact CD2-CH2 4.37Å; F504-W566 AromaticContact CD2-CZ3 3.5Å; F504-W566 HydrophobicContact CD2-CZ3 3.5Å; F504-W566 VanDerWaalsContact CD2-CZ3 3.5Å; F504-W566 HydrophobicContact CE1-CE3 4.21Å; F504-W566 HydrophobicContact CE1-CZ3 4.35Å; F504-W566 HydrophobicContact CE2-CD2 4.28Å; F504-W566 AromaticContact CE2-CE3 3.51Å; F504-W566 HydrophobicContact CE2-CE3 3.51Å; F504-W566 AromaticContact CE2-CZ3 4Å; F504-W566 HydrophobicContact CE2-CZ3 4Å; F504-W566 AromaticContact CG-CE3 3.87Å; F504-W566 HydrophobicContact CG-CE3 3.87Å; F504-W566 HydrophobicContact CG-CH2 4.35Å; F504-W566 AromaticContact CG-CZ3 3.44Å; F504-W566 HydrophobicContact CG-CZ3 3.44Å; F504-W566 VanDerWaalsContact CG-CZ3 3.44Å; F504-W566 AromaticContact CZ-CE3 3.87Å; F504-W566 HydrophobicContact CZ-CE3 3.87Å; F504-W566 HydrophobicContact CZ-CZ3 4.39Å; A562-W566 WeakPolarHBondContact O-CB 3.23Å; A562-W566 PolarHBondContact O-N 2.97Å; W566-L569 PolarHBondContact O-N 2.81Å; W566-L570 HydrophobicContact CH2-CD1 4.08Å; W566-L570 HydrophobicContact CH2-CD2 4.48Å; W566-L570 HydrophobicContact CZ3-CB 4.43Å; W566-L570 HydrophobicContact CZ3-CD1 4.31Å; W566-L570 HydrophobicContact CZ3-CD2 3.97Å; W566-L570 HydrophobicContact CZ3-CG 4.48Å; W566-L570 WeakPolarHBondContact O-CB 3.46Å; W566-L570 PolarHBondContact O-N 2.72Å; W566-F590 HydrophobicContact CB-CE1 4.21Å; W566-F590 HydrophobicContact CB-CZ 4.04Å; W566-F591 AromaticContact CD1-CD2 3.98Å; W566-F591 HydrophobicContact CD2-CD2 4.47Å; W566-F591 HydrophobicContact CD2-CE2 4.31Å; W566-F591 AromaticContact CE2-CD2 3.95Å; W566-F591 AromaticContact CE2-CE2 3.74Å; W566-F591 HydrophobicContact CG-CD2 4.49Å; W566-F591 HydrophobicContact CH2-CE2 4.46Å; W566-F591 HydrophobicContact CZ2-CD2 4.44Å; W566-F591 AromaticContact CZ2-CE2 3.83Å; W566-F591 HydrophobicContact CZ2-CE2 3.83Å; W566-F591 HydrophobicContact CZ2-CZ 4.01Å; W566-F591 AromaticContact NE1-CD2 3.6Å; W566-F591 AromaticContact NE1-CE2 3.88Å; W566-F591 PolarHBondContact NE1-O 2.98Å; W566-L598 HydrophobicContact CH2-CD1 3.56Å; W566-L598 HydrophobicContact CZ2-CD1 3.77Å; W566-L598 HydrophobicContact CZ3-CD1 4.18Å; W566-L711 HydrophobicContact CB-CD1 4.35Å; W566-L711 HydrophobicContact CB-CD2 3.71Å; W566-L711 HydrophobicContact CD2-CD1 4.13Å; W566-L711 HydrophobicContact CG-CD1 3.91Å; W566-L711 HydrophobicContact CG-CD2 4.09Å |
| 567 | W | 92.7 | Very high | 80.7 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.6 | -40.6 | 172.8 | 179.5 | -92 | 0 | 0 | 0 | 112.9 | P425 C427 L428 I431 L466 F467 V501 F504 L505 Q563 R564 L569 L570 T571 | P425-W567 VanDerWaalsContact O-CD1 3.26Å; C427-W567 PolarHBondContact SG-NE1 2.92Å; L428-W567 HydrophobicContact CB-CB 4.36Å; L428-W567 HydrophobicContact CB-CD2 4.27Å; L428-W567 HydrophobicContact CB-CG 3.86Å; L428-W567 HydrophobicContact CD1-CD2 4.12Å; L428-W567 HydrophobicContact CD1-CE3 4.21Å; L428-W567 HydrophobicContact CD1-CG 4.35Å; L428-W567 HydrophobicContact CD2-CB 3.95Å; L428-W567 HydrophobicContact CD2-CG 4.26Å; L428-W567 HydrophobicContact CG-CG 4.38Å; I431-W567 HydrophobicContact CD1-CH2 3.94Å; I431-W567 HydrophobicContact CD1-CZ2 3.53Å; L466-W567 HydrophobicContact CD1-CH2 4.47Å; L466-W567 HydrophobicContact CD1-CZ2 4.32Å; F467-W567 AromaticContact CE2-CH2 3.79Å; F467-W567 HydrophobicContact CE2-CH2 3.79Å; F467-W567 HydrophobicContact CE2-CZ2 4.43Å; F467-W567 HydrophobicContact CE2-CZ3 4.34Å; F467-W567 AromaticContact CZ-CH2 3.93Å; F467-W567 HydrophobicContact CZ-CH2 3.93Å; F467-W567 HydrophobicContact CZ-CZ2 4.23Å; F467-W567 HydrophobicContact CZ-CZ3 4.42Å; V501-W567 HydrophobicContact CG1-CH2 4.29Å; V501-W567 HydrophobicContact CG1-CZ3 3.75Å; F504-W567 AromaticContact CD1-CE3 3.83Å; F504-W567 HydrophobicContact CD1-CE3 3.83Å; F504-W567 HydrophobicContact CD1-CZ3 4.26Å; F504-W567 HydrophobicContact CE1-CB 4.18Å; F504-W567 HydrophobicContact CE1-CD2 4.38Å; F504-W567 AromaticContact CE1-CE3 3.63Å; F504-W567 HydrophobicContact CE1-CE3 3.63Å; F504-W567 HydrophobicContact CE1-CZ3 4.43Å; F504-W567 HydrophobicContact CZ-CB 4.33Å; L505-W567 HydrophobicContact CD1-CH2 4.2Å; L505-W567 HydrophobicContact CD1-CZ3 4.12Å; L505-W567 HydrophobicContact CD2-CE3 4.24Å; L505-W567 HydrophobicContact CD2-CH2 4.03Å; L505-W567 HydrophobicContact CD2-CZ3 3.64Å; L505-W567 HydrophobicContact CG-CH2 4.47Å; L505-W567 HydrophobicContact CG-CZ3 3.97Å; Q563-W567 WeakPolarHBondContact O-CB 3.29Å; Q563-W567 PolarHBondContact O-N 3.35Å; R564-W567 PolarHBondContact O-N 3.31Å; W567-L569 VanDerWaalsContact C-N 3.34Å; W567-L569 PolarHBondContact O-N 3.09Å; W567-L570 HydrophobicContact CD2-CD2 4.45Å; W567-L570 HydrophobicContact CE3-CD2 3.68Å; W567-L570 HydrophobicContact CZ3-CD2 3.81Å; W567-L570 WeakPolarHBondContact O-CB 3.45Å; W567-L570 PolarHBondContact O-N 3.11Å; W567-T571 HydrophobicContact CD2-CG2 4.35Å; W567-T571 HydrophobicContact CZ2-CG2 4.09Å; W567-T571 PolarHBondContact O-N 3.46Å; W567-T571 PolarHBondContact O-OG1 3.2Å |
| 568 | S | 87.1 | Confident | 78.6 | Confident | 11 Ų | 11 | 38.2 Ų | 38.2 | 8% | 0.077 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | 175 | -170 | 0 | 0 | 0 | 0 | 110.8 | R564 S565 T571 K572 | R564-S568 WeakPolarHBondContact O-CB 3.43Å; R564-S568 PolarHBondContact O-N 3.01Å; S565-S568 PolarHBondContact O-N 3.24Å; S568-T571 WeakPolarHBondContact CA-OG1 3.35Å; S568-T571 PolarHBondContact O-N 3.49Å; S568-T571 PolarHBondContact O-OG1 3.34Å; S568-K572 WeakPolarHBondContact O-CB 3.34Å; S568-K572 VanDerWaalsContact O-CG 3.27Å; S568-K572 WeakPolarHBondContact O-CG 3.39Å; S568-K572 PolarHBondContact O-N 3.25Å |
| 569 | L | 85.6 | Confident | 76.5 | Confident | 18 Ų | 18 | 43.3 Ų | 43.3 | 9% | 0.094 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.4 | -42.6 | 174.5 | -69.2 | 169 | 0 | 0 | 0 | 112.3 | S565 W566 W567 N573 L583 N587 F590 F591 | S565-L569 WeakPolarHBondContact O-CG 3.5Å; S565-L569 PolarHBondContact O-N 3.06Å; W566-L569 PolarHBondContact O-N 2.81Å; W567-L569 VanDerWaalsContact C-N 3.34Å; W567-L569 PolarHBondContact O-N 3.09Å; L569-N573 VanDerWaalsContact O-CB 3.3Å; L569-N573 WeakPolarHBondContact O-CB 3.42Å; L569-N573 PolarHBondContact O-N 3.36Å; L569-N573 PolarHBondContact O-ND2 3.5Å; L569-N573 VanDerWaalsContact O-ND2 3.08Å; L569-L583 HydrophobicContact CD2-CD1 4.11Å; L569-N587 HydrophobicContact CD2-CB 4.12Å; L569-F590 HydrophobicContact CD1-CD1 3.56Å; L569-F590 HydrophobicContact CD1-CE1 3.89Å; L569-F591 HydrophobicContact CB-CD2 3.91Å; L569-F591 HydrophobicContact CD1-CB 4.49Å |
| 570 | L | 86.4 | Confident | 74.1 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55.2 | -53.9 | 174.3 | -177.4 | 76.4 | 0 | 0 | 0 | 111.2 | F467 L496 V501 W566 W567 T574 F591 | F467-L570 HydrophobicContact CZ-CD2 4.1Å; L496-L570 HydrophobicContact CD1-CD1 3.86Å; L496-L570 HydrophobicContact CD2-CD1 3.45Å; L496-L570 VanDerWaalsContact CD2-CD1 3.45Å; L496-L570 HydrophobicContact CG-CD1 4.25Å; V501-L570 HydrophobicContact CG1-CD2 3.89Å; V501-L570 HydrophobicContact CG2-CD1 4.21Å; V501-L570 HydrophobicContact CG2-CD2 3.96Å; W566-L570 HydrophobicContact CH2-CD1 4.08Å; W566-L570 HydrophobicContact CH2-CD2 4.48Å; W566-L570 HydrophobicContact CZ3-CB 4.43Å; W566-L570 HydrophobicContact CZ3-CD1 4.31Å; W566-L570 HydrophobicContact CZ3-CD2 3.97Å; W566-L570 HydrophobicContact CZ3-CG 4.48Å; W566-L570 WeakPolarHBondContact O-CB 3.46Å; W566-L570 PolarHBondContact O-N 2.72Å; W567-L570 HydrophobicContact CD2-CD2 4.45Å; W567-L570 HydrophobicContact CE3-CD2 3.68Å; W567-L570 HydrophobicContact CZ3-CD2 3.81Å; W567-L570 WeakPolarHBondContact O-CB 3.45Å; W567-L570 PolarHBondContact O-N 3.11Å; L570-T574 WeakPolarHBondContact O-CB 3.46Å; L570-T574 WeakPolarHBondContact O-CG2 3.39Å; L570-T574 PolarHBondContact O-N 2.95Å; L570-T574 PolarHBondContact O-OG1 2.64Å; L570-F591 HydrophobicContact CB-CE2 3.91Å; L570-F591 HydrophobicContact CD1-CE2 3.92Å; L570-F591 HydrophobicContact CD1-CZ 3.78Å |
| 571 | T | 83 | Confident | 72 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.8 | -47.6 | -177.8 | 49.6 | 0 | 0 | 0 | 0 | 112.5 | P425 F467 W567 S568 N573 T574 L575 | P425-T571 VanDerWaalsContact CA-OG1 3.28Å; P425-T571 WeakPolarHBondContact CA-OG1 3.39Å; P425-T571 VanDerWaalsContact CB-OG1 3.32Å; P425-T571 WeakPolarHBondContact CB-OG1 3.46Å; F467-T571 HydrophobicContact CE1-CG2 4.32Å; F467-T571 HydrophobicContact CZ-CG2 4.05Å; W567-T571 HydrophobicContact CD2-CG2 4.35Å; W567-T571 HydrophobicContact CZ2-CG2 4.09Å; W567-T571 PolarHBondContact O-N 3.46Å; W567-T571 PolarHBondContact O-OG1 3.2Å; S568-T571 WeakPolarHBondContact CA-OG1 3.35Å; S568-T571 PolarHBondContact O-N 3.49Å; S568-T571 PolarHBondContact O-OG1 3.34Å; T571-N573 PolarHBondContact O-N 3.29Å; T571-T574 PolarHBondContact O-N 3.1Å; T571-L575 HydrophobicContact CG2-CD1 4.27Å; T571-L575 WeakPolarHBondContact O-CB 3.45Å; T571-L575 WeakPolarHBondContact O-CG 3.34Å; T571-L575 PolarHBondContact O-N 2.6Å |
| 572 | K | 77.1 | Confident | 70.5 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 25% | 0.252 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.6 | -50.6 | 178.3 | -74.6 | 172.8 | 177.9 | 176.4 | 0 | 111.2 | S568 E576 | S568-K572 WeakPolarHBondContact O-CB 3.34Å; S568-K572 VanDerWaalsContact O-CG 3.27Å; S568-K572 WeakPolarHBondContact O-CG 3.39Å; S568-K572 PolarHBondContact O-N 3.25Å; K572-E576 WeakPolarHBondContact O-CB 3.29Å; K572-E576 WeakPolarHBondContact O-CG 3.47Å; K572-E576 PolarHBondContact O-N 3.03Å; K572-E576 VanDerWaalsContact O-N 3.07Å |
| 573 | N | 73.1 | Confident | 69.1 | Low | 20 Ų | 20 | 61.5 Ų | 61.5 | 11% | 0.107 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.2 | -59.7 | 177.1 | -69.8 | -27.8 | 0 | 0 | 0 | 110.6 | L569 T571 L575 F577 | L569-N573 VanDerWaalsContact O-CB 3.3Å; L569-N573 WeakPolarHBondContact O-CB 3.42Å; L569-N573 PolarHBondContact O-N 3.36Å; L569-N573 PolarHBondContact O-ND2 3.5Å; L569-N573 VanDerWaalsContact O-ND2 3.08Å; T571-N573 PolarHBondContact O-N 3.29Å; N573-L575 PolarHBondContact O-N 2.91Å; N573-F577 HydrophobicContact CB-CE2 4.02Å; N573-F577 WeakPolarHBondContact O-CD2 3.15Å; N573-F577 WeakPolarHBondContact O-CE2 3.11Å; N573-F577 VanDerWaalsContact O-CG 3.23Å; N573-F577 WeakPolarHBondContact O-CG 3.48Å; N573-F577 PolarHBondContact O-N 3.09Å |
| 574 | T | 72.3 | Confident | 67.6 | Low | 22 Ų | 22 | 65.7 Ų | 65.7 | 14% | 0.135 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -74.6 | -29.8 | -168.1 | 56.5 | 0 | 0 | 0 | 0 | 115.2 | F467 L470 L496 L570 T571 | F467-T574 VanDerWaalsContact CD1-OG1 3.26Å; F467-T574 WeakPolarHBondContact CD1-OG1 3.47Å; F467-T574 WeakPolarHBondContact CE1-OG1 3.05Å; L470-T574 HydrophobicContact CD1-CG2 4.24Å; L470-T574 HydrophobicContact CD2-CG2 3.9Å; L470-T574 HydrophobicContact CG-CG2 4.35Å; L496-T574 HydrophobicContact CD2-CG2 3.46Å; L496-T574 VanDerWaalsContact CD2-CG2 3.46Å; L570-T574 WeakPolarHBondContact O-CB 3.46Å; L570-T574 WeakPolarHBondContact O-CG2 3.39Å; L570-T574 PolarHBondContact O-N 2.95Å; L570-T574 PolarHBondContact O-OG1 2.64Å; T571-T574 PolarHBondContact O-N 3.1Å |
| 575 | L | 62.3 | Low | 66 | Low | 52 Ų | 52 | 67.3 Ų | 67.3 | 27% | 0.272 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -89.1 | -43.7 | -179.7 | -58.8 | 175.7 | 0 | 0 | 0 | 112.1 | T423 L466 F467 T571 N573 | T423-L575 WeakPolarHBondContact O-CD1 3.39Å; L466-L575 WeakPolarHBondContact O-CD2 3.35Å; F467-L575 HydrophobicContact CD1-CD2 4.37Å; F467-L575 HydrophobicContact CE1-CD2 4.41Å; F467-L575 HydrophobicContact CE1-CG 4.39Å; T571-L575 HydrophobicContact CG2-CD1 4.27Å; T571-L575 WeakPolarHBondContact O-CB 3.45Å; T571-L575 WeakPolarHBondContact O-CG 3.34Å; T571-L575 PolarHBondContact O-N 2.6Å; N573-L575 PolarHBondContact O-N 2.91Å |
| 576 | E | 58.4 | Low | 64.6 | Low | 116 Ų | 116 | 69.4 Ų | 69.4 | 54% | 0.542 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -88.2 | 0.7 | -170.3 | -50.5 | -178.6 | 148.7 | 0 | 0 | 114.1 | K572 S578 | K572-E576 WeakPolarHBondContact O-CB 3.29Å; K572-E576 WeakPolarHBondContact O-CG 3.47Å; K572-E576 PolarHBondContact O-N 3.03Å; K572-E576 VanDerWaalsContact O-N 3.07Å; E576-S578 PolarHBondContact O-N 2.89Å |
| 577 | F | 41.6 | Very low | 63.9 | Low | 117 Ų | 117 | 72.1 Ų | 72.1 | 51% | 0.513 | 37% | 0.371 | S | S | . | . | trans | -63.6 | 91.6 | -177.1 | -97.2 | -42.7 | 0 | 0 | 0 | 114.3 | N573 | N573-F577 HydrophobicContact CB-CE2 4.02Å; N573-F577 WeakPolarHBondContact O-CD2 3.15Å; N573-F577 WeakPolarHBondContact O-CE2 3.11Å; N573-F577 VanDerWaalsContact O-CG 3.23Å; N573-F577 WeakPolarHBondContact O-CG 3.48Å; N573-F577 PolarHBondContact O-N 3.09Å | ||
| 578 | S | 38.1 | Very low | 63.2 | Low | 97 Ų | 97 | 77.3 Ų | 77.3 | 68% | 0.678 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -105.1 | 80.4 | 146.3 | 61.4 | 0 | 0 | 0 | 0 | 109.7 | E576 Q580 | E576-S578 PolarHBondContact O-N 2.89Å; S578-Q580 VanDerWaalsContact C-N 3.3Å; S578-Q580 PolarHBondContact O-N 3.21Å |
| 579 | S | 42.6 | Very low | 62.6 | Low | 118 Ų | 118 | 77.9 Ų | 77.9 | 83% | 0.825 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 47.5 | -0.4 | 154.7 | 59.8 | 0 | 0 | 0 | 0 | 123.3 | ||
| 580 | Q | 38.4 | Very low | 62.4 | Low | 168 Ų | 168 | 78 Ų | 78 | 79% | 0.785 | 40% | 0.396 | S | S | * | . | trans | -127.5 | -15.2 | -174.5 | -73.5 | -169 | -26 | 0 | 0 | 118 | S578 K582 | S578-Q580 VanDerWaalsContact C-N 3.3Å; S578-Q580 PolarHBondContact O-N 3.21Å; Q580-K582 PolarHBondContact O-N 3.4Å | ||
| 581 | N | 44.5 | Very low | 62.3 | Low | 90 Ų | 90 | 78.1 Ų | 78.1 | 48% | 0.481 | 40% | 0.396 | S | S | . | . | trans | -82.8 | 98.6 | 176.8 | -75.2 | -7.3 | 0 | 0 | 0 | 111.3 | L583 | N581-L583 PolarHBondContact O-N 3.06Š| ||
| 582 | K | 51.2 | Low | 62.2 | Low | 200 Ų | 200 | 79.5 Ų | 79.5 | 87% | 0.87 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 118.1 | 161.1 | -75.2 | -176.1 | 177.1 | -179.2 | 0 | 108.3 | Q580 E584 | Q580-K582 PolarHBondContact O-N 3.4Å; K582-E584 PolarHBondContact O-N 3.22Å |
| 583 | L | 54.4 | Low | 62.4 | Low | 47 Ų | 47 | 77.3 Ų | 77.3 | 25% | 0.246 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 131.2 | 171.8 | -166.8 | 67.6 | 0 | 0 | 0 | 109.5 | L569 N581 N587 R588 | L569-L583 HydrophobicContact CD2-CD1 4.11Å; N581-L583 PolarHBondContact O-N 3.06Å; L583-N587 HydrophobicContact CD1-CB 3.89Å; L583-N587 HydrophobicContact CD2-CB 4.42Å; L583-N587 HydrophobicContact CG-CB 3.9Å; L583-R588 HydrophobicContact CD2-CB 4Å; L583-R588 HydrophobicContact CG-CB 4.44Å |
| 584 | E | 60.6 | Low | 62.9 | Low | 89 Ų | 89 | 76.3 Ų | 76.3 | 42% | 0.416 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 144.9 | 176.5 | -63.5 | 173.3 | 151.4 | 0 | 0 | 110.9 | K582 E586 N587 R588 | K582-E584 PolarHBondContact O-N 3.22Å; E584-E586 VanDerWaalsContact C-N 3.28Å; E584-E586 PolarHBondContact O-N 3.02Å; E584-N587 WeakPolarHBondContact O-CB 3.3Å; E584-N587 PolarHBondContact O-N 3.01Å; E584-N587 PolarHBondContact OE2-ND2 3Å; E584-R588 PolarHBondContact O-N 3.49Å |
| 585 | D | 57.2 | Low | 63.5 | Low | 132 Ų | 132 | 75.3 Ų | 75.3 | 71% | 0.706 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -59.2 | -34.9 | -167.9 | -75.7 | -40 | 0 | 0 | 0 | 113.5 | R588 A589 | D585-R588 PolarHBondContact O-N 3.4Å; D585-A589 WeakPolarHBondContact O-CB 3.5Å; D585-A589 PolarHBondContact O-N 3.06Å |
| 586 | E | 59.9 | Low | 64.5 | Low | 100 Ų | 100 | 73.5 Ų | 73.5 | 47% | 0.467 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.8 | -45.6 | 175.7 | -61.8 | -174.2 | 162.6 | 0 | 0 | 112.2 | E584 R588 A589 F590 I917 | E584-E586 VanDerWaalsContact C-N 3.28Å; E584-E586 PolarHBondContact O-N 3.02Å; E586-R588 VanDerWaalsContact C-N 3.26Å; E586-R588 PolarHBondContact O-N 2.74Å; E586-A589 PolarHBondContact O-N 3.37Å; E586-A589 VanDerWaalsContact O-N 3.17Å; E586-F590 PolarHBondContact O-N 2.87Å; E586-I917 WeakPolarHBondContact OE1-CG1 3.44Å; E586-I917 WeakPolarHBondContact OE2-CD1 3.43Å; E586-I917 WeakPolarHBondContact OE2-CG1 3.45Å |
| 587 | N | 76 | Confident | 65.7 | Low | 57 Ų | 57 | 68.3 Ų | 68.3 | 31% | 0.305 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 175.9 | -79.6 | -52.6 | 0 | 0 | 0 | 111.1 | L569 L583 E584 F591 | L569-N587 HydrophobicContact CD2-CB 4.12Å; L583-N587 HydrophobicContact CD1-CB 3.89Å; L583-N587 HydrophobicContact CD2-CB 4.42Å; L583-N587 HydrophobicContact CG-CB 3.9Å; E584-N587 WeakPolarHBondContact O-CB 3.3Å; E584-N587 PolarHBondContact O-N 3.01Å; E584-N587 PolarHBondContact OE2-ND2 3Å; N587-F591 VanDerWaalsContact O-CB 3.29Å; N587-F591 WeakPolarHBondContact O-CB 3.26Å; N587-F591 PolarHBondContact O-N 3.2Å |
| 588 | R | 76.6 | Confident | 67.8 | Low | 108 Ų | 108 | 62.8 Ų | 62.8 | 41% | 0.408 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 173.2 | -170.1 | -177.4 | -179.2 | -177.5 | 2.3 | 111.7 | N492 V493 L583 E584 D585 E586 F591 Q592 | N492-R588 PolarHBondContact OD1-NH2 3.07Å; V493-R588 HydrophobicContact CG2-CG 4Å; L583-R588 HydrophobicContact CD2-CB 4Å; L583-R588 HydrophobicContact CG-CB 4.44Å; E584-R588 PolarHBondContact O-N 3.49Å; D585-R588 PolarHBondContact O-N 3.4Å; E586-R588 VanDerWaalsContact C-N 3.26Å; E586-R588 PolarHBondContact O-N 2.74Å; R588-F591 PolarHBondContact O-N 3.15Å; R588-Q592 WeakPolarHBondContact O-CB 3.29Å; R588-Q592 PolarHBondContact O-N 3.06Å |
| 589 | A | 75 | Confident | 70 | Confident | 23 Ų | 23 | 58.5 Ų | 58.5 | 19% | 0.19 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.1 | -39.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D585 E586 Q592 C593 S679 | D585-A589 WeakPolarHBondContact O-CB 3.5Å; D585-A589 PolarHBondContact O-N 3.06Å; E586-A589 PolarHBondContact O-N 3.37Å; E586-A589 VanDerWaalsContact O-N 3.17Å; A589-Q592 PolarHBondContact O-N 2.93Å; A589-C593 WeakPolarHBondContact O-CB 3.39Å; A589-C593 PolarHBondContact O-N 3.48Å; A589-S679 WeakPolarHBondContact CB-OG 3.36Å |
| 590 | F | 82 | Confident | 71.8 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 10% | 0.096 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.2 | -46 | 173.1 | 168.3 | -121.1 | 0 | 0 | 0 | 111.7 | A562 W566 L569 E586 Q592 C593 G594 H709 L711 | A562-F590 HydrophobicContact CB-CZ 4.49Å; W566-F590 HydrophobicContact CB-CE1 4.21Å; W566-F590 HydrophobicContact CB-CZ 4.04Å; L569-F590 HydrophobicContact CD1-CD1 3.56Å; L569-F590 HydrophobicContact CD1-CE1 3.89Å; E586-F590 PolarHBondContact O-N 2.87Å; F590-Q592 VanDerWaalsContact C-N 3.3Å; F590-Q592 PolarHBondContact O-N 3.31Å; F590-C593 WeakPolarHBondContact O-CB 3.49Å; F590-C593 PolarHBondContact O-N 3.3Å; F590-G594 PolarHBondContact O-N 3.22Å; F590-G594 VanDerWaalsContact O-N 3.07Å; F590-H709 HydrophobicContact CD2-CB 4.09Å; F590-H709 AromaticContact CD2-ND1 3.33Å; F590-H709 VanDerWaalsContact CD2-ND1 3.33Å; F590-H709 WeakPolarHBondContact CD2-ND1 3.48Å; F590-H709 HydrophobicContact CE2-CB 4.47Å; F590-H709 AromaticContact CG-ND1 3.92Å; F590-L711 HydrophobicContact CE2-CD2 4.17Å; F590-L711 HydrophobicContact CZ-CD2 4.13Å |
| 591 | F | 83.7 | Confident | 73.2 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.7 | -44.7 | 175.3 | -174.7 | -95.7 | 0 | 0 | 0 | 111.6 | V493 L496 W566 L569 L570 N587 R588 G594 L595 | V493-F591 HydrophobicContact CB-CD1 4.44Å; V493-F591 HydrophobicContact CG1-CD1 3.86Å; V493-F591 HydrophobicContact CG1-CE1 3.81Å; V493-F591 HydrophobicContact CG2-CD1 3.94Å; V493-F591 HydrophobicContact CG2-CE1 4.46Å; L496-F591 HydrophobicContact CD1-CZ 4.29Å; L496-F591 HydrophobicContact CD2-CZ 4.31Å; W566-F591 AromaticContact CD1-CD2 3.98Å; W566-F591 HydrophobicContact CD2-CD2 4.47Å; W566-F591 HydrophobicContact CD2-CE2 4.31Å; W566-F591 AromaticContact CE2-CD2 3.95Å; W566-F591 AromaticContact CE2-CE2 3.74Å; W566-F591 HydrophobicContact CG-CD2 4.49Å; W566-F591 HydrophobicContact CH2-CE2 4.46Å; W566-F591 HydrophobicContact CZ2-CD2 4.44Å; W566-F591 AromaticContact CZ2-CE2 3.83Å; W566-F591 HydrophobicContact CZ2-CE2 3.83Å; W566-F591 HydrophobicContact CZ2-CZ 4.01Å; W566-F591 AromaticContact NE1-CD2 3.6Å; W566-F591 AromaticContact NE1-CE2 3.88Å; W566-F591 PolarHBondContact NE1-O 2.98Å; L569-F591 HydrophobicContact CB-CD2 3.91Å; L569-F591 HydrophobicContact CD1-CB 4.49Å; L570-F591 HydrophobicContact CB-CE2 3.91Å; L570-F591 HydrophobicContact CD1-CE2 3.92Å; L570-F591 HydrophobicContact CD1-CZ 3.78Å; N587-F591 VanDerWaalsContact O-CB 3.29Å; N587-F591 WeakPolarHBondContact O-CB 3.26Å; N587-F591 PolarHBondContact O-N 3.2Å; R588-F591 PolarHBondContact O-N 3.15Å; F591-G594 PolarHBondContact O-N 2.89Å; F591-L595 PolarHBondContact O-N 3.3Å |
| 592 | Q | 81.8 | Confident | 73.6 | Confident | 32 Ų | 32 | 48.2 Ų | 48.2 | 15% | 0.15 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.8 | -38.9 | 176.3 | -171.9 | 60.6 | 63.6 | 0 | 0 | 113.1 | A491 R588 A589 F590 G594 L595 N596 | A491-Q592 PolarHBondContact O-NE2 3.31Å; A491-Q592 PolarHBondContact O-OE1 3.45Å; R588-Q592 WeakPolarHBondContact O-CB 3.29Å; R588-Q592 PolarHBondContact O-N 3.06Å; A589-Q592 PolarHBondContact O-N 2.93Å; F590-Q592 VanDerWaalsContact C-N 3.3Å; F590-Q592 PolarHBondContact O-N 3.31Å; Q592-G594 VanDerWaalsContact C-N 3.32Å; Q592-G594 PolarHBondContact O-N 3.12Å; Q592-L595 PolarHBondContact O-N 3.35Å; Q592-N596 PolarHBondContact NE2-OD1 3.14Å; Q592-N596 WeakPolarHBondContact O-CB 3.12Å; Q592-N596 PolarHBondContact O-N 2.9Å; Q592-N596 PolarHBondContact O-OD1 3.38Å |
| 593 | C | 80.3 | Confident | 73.4 | Confident | 12 Ų | 12 | 41.4 Ų | 41.4 | 8% | 0.081 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 175.8 | -171.7 | 0 | 0 | 0 | 0 | 111.3 | A589 F590 N596 Q597 | A589-C593 WeakPolarHBondContact O-CB 3.39Å; A589-C593 PolarHBondContact O-N 3.48Å; F590-C593 WeakPolarHBondContact O-CB 3.49Å; F590-C593 PolarHBondContact O-N 3.3Å; C593-N596 PolarHBondContact O-N 3.16Å; C593-Q597 WeakPolarHBondContact O-CG 3.43Å; C593-Q597 PolarHBondContact O-N 3.38Å; C593-Q597 PolarHBondContact O-NE2 2.95Å |
| 594 | G | 85.1 | Confident | 72.5 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.1 | -42.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F590 F591 Q592 N596 Q597 L598 L711 | F590-G594 PolarHBondContact O-N 3.22Å; F590-G594 VanDerWaalsContact O-N 3.07Å; F591-G594 PolarHBondContact O-N 2.89Å; Q592-G594 VanDerWaalsContact C-N 3.32Å; Q592-G594 PolarHBondContact O-N 3.12Å; G594-N596 VanDerWaalsContact C-N 3.33Å; G594-N596 PolarHBondContact O-N 3.15Å; G594-Q597 WeakPolarHBondContact O-CB 3.18Å; G594-Q597 PolarHBondContact O-N 3.46Å; G594-L598 WeakPolarHBondContact O-CG 3.32Å; G594-L598 PolarHBondContact O-N 3.45Å; G594-L711 VanDerWaalsContact CA-CD1 3.48Å |
| 595 | L | 85 | Confident | 71.3 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.3 | -39.9 | 175.2 | -172.9 | 63.1 | 0 | 0 | 0 | 111.9 | A491 L496 D500 F591 Q592 Q597 L598 R599 | A491-L595 HydrophobicContact CB-CD2 4.28Å; L496-L595 HydrophobicContact CD1-CD1 4.24Å; D500-L595 HydrophobicContact CB-CD1 4.14Å; D500-L595 WeakPolarHBondContact OD1-CD1 3.44Å; F591-L595 PolarHBondContact O-N 3.3Å; Q592-L595 PolarHBondContact O-N 3.35Å; L595-Q597 VanDerWaalsContact C-N 3.35Å; L595-Q597 PolarHBondContact O-N 3.25Å; L595-L598 PolarHBondContact O-N 2.84Å; L595-R599 HydrophobicContact CD1-CG 4.46Å; L595-R599 PolarHBondContact O-N 3.17Å |
| 596 | N | 81.8 | Confident | 70.3 | Confident | 15 Ų | 15 | 38.4 Ų | 38.4 | 8% | 0.08 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.5 | -34.5 | 176.4 | -70.2 | -8.8 | 0 | 0 | 0 | 112.6 | Q592 C593 G594 L600 I601 F602 | Q592-N596 PolarHBondContact NE2-OD1 3.14Å; Q592-N596 WeakPolarHBondContact O-CB 3.12Å; Q592-N596 PolarHBondContact O-N 2.9Å; Q592-N596 PolarHBondContact O-OD1 3.38Å; C593-N596 PolarHBondContact O-N 3.16Å; G594-N596 VanDerWaalsContact C-N 3.33Å; G594-N596 PolarHBondContact O-N 3.15Å; N596-L600 PolarHBondContact O-N 2.84Å; N596-L600 VanDerWaalsContact O-N 3.15Å; N596-I601 PolarHBondContact O-N 3.15Å; N596-F602 HydrophobicContact CB-CD2 4.25Å |
| 597 | Q | 83.7 | Confident | 69.2 | Low | 7 Ų | 7 | 37.1 Ų | 37.1 | 3% | 0.033 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.8 | -45 | 171.4 | -74.7 | 166.8 | 67.3 | 0 | 0 | 111.1 | C593 G594 L595 L600 P604 I614 H709 | C593-Q597 WeakPolarHBondContact O-CG 3.43Å; C593-Q597 PolarHBondContact O-N 3.38Å; C593-Q597 PolarHBondContact O-NE2 2.95Å; G594-Q597 WeakPolarHBondContact O-CB 3.18Å; G594-Q597 PolarHBondContact O-N 3.46Å; L595-Q597 VanDerWaalsContact C-N 3.35Å; L595-Q597 PolarHBondContact O-N 3.25Å; Q597-L600 PolarHBondContact O-N 3.23Å; Q597-P604 HydrophobicContact CG-CG 4.02Å; Q597-I614 HydrophobicContact CG-CD1 4.34Å; Q597-H709 PolarHBondContact NE2-O 2.89Å |
| 598 | L | 85.8 | Confident | 67.4 | Low | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.5 | -32 | -179.9 | -68.3 | 168.4 | 0 | 0 | 0 | 114.1 | F504 W566 G594 L595 Y649 F712 | F504-L598 HydrophobicContact CB-CD1 3.82Å; F504-L598 HydrophobicContact CB-CD2 4.07Å; F504-L598 HydrophobicContact CD2-CD1 4.15Å; F504-L598 HydrophobicContact CD2-CD2 4.37Å; F504-L598 HydrophobicContact CG-CD1 4.44Å; W566-L598 HydrophobicContact CH2-CD1 3.56Å; W566-L598 HydrophobicContact CZ2-CD1 3.77Å; W566-L598 HydrophobicContact CZ3-CD1 4.18Å; G594-L598 WeakPolarHBondContact O-CG 3.32Å; G594-L598 PolarHBondContact O-N 3.45Å; L595-L598 PolarHBondContact O-N 2.84Å; L598-Y649 PolarHBondContact O-OH 2.85Å; L598-F712 HydrophobicContact CD2-CE2 3.81Å; L598-F712 HydrophobicContact CD2-CZ 4.33Å |
| 599 | R | 85.2 | Confident | 65.4 | Low | 7 Ų | 7 | 38.4 Ų | 38.4 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -3 | 178 | -65.5 | -176.2 | 176.9 | -169.8 | -1.1 | 113.6 | Q495 D500 L595 I601 W645 H648 | Q495-R599 PolarHBondContact O-NH2 3.27Å; D500-R599 IonicContact OD1-CZ 3.2Å; D500-R599 IonicContact OD1-NE 2.7Å; D500-R599 PolarHBondContact OD1-NE 2.89Å; D500-R599 IonicContact OD1-NH2 3.43Å; D500-R599 PolarHBondContact OD1-NH2 3.12Å; D500-R599 IonicContact OD2-CZ 3.61Å; D500-R599 IonicContact OD2-NE 3.37Å; D500-R599 IonicContact OD2-NH2 2.8Å; D500-R599 PolarHBondContact OD2-NH2 3.08Å; L595-R599 HydrophobicContact CD1-CG 4.46Å; L595-R599 PolarHBondContact O-N 3.17Å; R599-I601 HydrophobicContact CB-CD1 3.53Å; R599-I601 HydrophobicContact CB-CG1 3.6Å; R599-I601 HydrophobicContact CG-CD1 4.31Å; R599-I601 PolarHBondContact O-N 2.69Å; R599-W645 HydrophobicContact CG-CH2 4.47Å; R599-H648 PolarHBondContact O-NE2 2.8Å |
| 600 | L | 79.9 | Confident | 63.5 | Low | 21 Ų | 21 | 45 Ų | 45 | 11% | 0.11 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 28.4 | -178.4 | -45.4 | 165.1 | 0 | 0 | 0 | 112.9 | N596 Q597 L620 Y649 F652 | N596-L600 PolarHBondContact O-N 2.84Å; N596-L600 VanDerWaalsContact O-N 3.15Å; Q597-L600 PolarHBondContact O-N 3.23Å; L600-L620 HydrophobicContact CD1-CD2 4.3Å; L600-L620 HydrophobicContact CD2-CD2 3.97Å; L600-Y649 HydrophobicContact CD1-CD1 4.07Å; L600-Y649 HydrophobicContact CD1-CD2 4.35Å; L600-Y649 HydrophobicContact CD1-CE1 4.05Å; L600-Y649 HydrophobicContact CD1-CE2 4.31Å; L600-Y649 HydrophobicContact CD1-CG 4.23Å; L600-F652 HydrophobicContact CB-CD1 4.37Å; L600-F652 HydrophobicContact CB-CD2 4.38Å; L600-F652 HydrophobicContact CB-CE1 4.25Å; L600-F652 HydrophobicContact CB-CE2 4.27Å; L600-F652 HydrophobicContact CB-CG 4.44Å; L600-F652 HydrophobicContact CB-CZ 4.2Å; L600-F652 HydrophobicContact CD1-CB 3.98Å; L600-F652 HydrophobicContact CD1-CD1 3.68Å; L600-F652 HydrophobicContact CD1-CE1 4.26Å; L600-F652 HydrophobicContact CD1-CG 3.84Å; L600-F652 HydrophobicContact CD2-CD1 4.14Å; L600-F652 HydrophobicContact CD2-CE1 3.93Å; L600-F652 HydrophobicContact CG-CD1 4.28Å; L600-F652 HydrophobicContact CG-CE1 4.37Å |
| 601 | I | 66.9 | Low | 61.1 | Low | 42 Ų | 42 | 52.2 Ų | 52.2 | 22% | 0.215 | 25% | 0.25 | C | S | . | . | trans | -76.7 | -31.2 | -173.9 | -63 | 170.9 | 0 | 0 | 0 | 111.4 | L485 A491 N596 R599 | L485-I601 HydrophobicContact CD2-CG2 4.25Å; A491-I601 HydrophobicContact CB-CD1 3.66Å; N596-I601 PolarHBondContact O-N 3.15Å; R599-I601 HydrophobicContact CB-CD1 3.53Å; R599-I601 HydrophobicContact CB-CG1 3.6Å; R599-I601 HydrophobicContact CG-CD1 4.31Å; R599-I601 PolarHBondContact O-N 2.69Å | ||
| 602 | F | 54.3 | Low | 58.9 | Low | 98 Ų | 98 | 54.5 Ų | 54.5 | 43% | 0.43 | 27% | 0.274 | S | S | . | . | trans | -130.3 | 156.1 | 176.9 | -69.8 | -80.1 | 0 | 0 | 0 | 110.1 | N596 P604 | N596-F602 HydrophobicContact CB-CD2 4.25Å; F602-P604 WeakPolarHBondContact O-CD 3.49Å | ||
| 603 | H | 45.8 | Very low | 57.2 | Low | 57 Ų | 57 | 53.8 Ų | 53.8 | 26% | 0.264 | 28% | 0.275 | S | S | . | . | trans | -99 | 99.7 | 164.1 | -102 | -85.1 | 0 | 0 | 0 | 108.8 | T605 R606 F652 F661 | H603-T605 PolarHBondContact O-N 2.85Å; H603-R606 PolarHBondContact O-N 2.92Å; H603-F652 AromaticContact NE2-CZ 3.51Å; H603-F661 AromaticContact CE1-CD1 3.61Å; H603-F661 AromaticContact CE1-CE1 3.61Å | ||
| 604 | P | 36 | Very low | 56.1 | Low | 19 Ų | 19 | 54.7 Ų | 54.7 | 12% | 0.123 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -1.9 | 172.7 | -18.6 | 25.5 | 0 | 0 | 0 | 114.8 | Q597 F602 R606 C607 I614 | Q597-P604 HydrophobicContact CG-CG 4.02Å; F602-P604 WeakPolarHBondContact O-CD 3.49Å; P604-R606 PolarHBondContact O-N 3.34Å; P604-C607 WeakPolarHBondContact O-CB 3.43Å; P604-C607 PolarHBondContact O-N 3.09Å; P604-I614 HydrophobicContact CB-CD1 3.7Å; P604-I614 VanDerWaalsContact CD-CD1 3.48Å; P604-I614 HydrophobicContact CG-CD1 3.45Å; P604-I614 VanDerWaalsContact CG-CD1 3.45Å |
| 605 | T | 36.1 | Very low | 55.4 | Low | 34 Ų | 34 | 55.3 Ų | 55.3 | 21% | 0.209 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -54 | -32.5 | 168.8 | 55.4 | 0 | 0 | 0 | 0 | 111.7 | H603 C607 L608 N609 Y610 | H603-T605 PolarHBondContact O-N 2.85Å; T605-C607 PolarHBondContact O-N 2.93Å; T605-L608 PolarHBondContact O-N 3.2Å; T605-L608 VanDerWaalsContact O-N 3.09Å; T605-N609 PolarHBondContact O-N 3.44Å; T605-Y610 WeakPolarHBondContact CB-O 3.28Å; T605-Y610 VanDerWaalsContact CG2-O 3.27Å; T605-Y610 WeakPolarHBondContact CG2-O 3.42Å |
| 606 | R | 35.2 | Very low | 54.9 | Low | 151 Ų | 151 | 57.5 Ų | 57.5 | 57% | 0.57 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68.6 | -15.3 | 174.8 | -123.1 | -178.4 | -177.7 | 177.8 | -0.3 | 114.6 | H603 P604 S666 | H603-R606 PolarHBondContact O-N 2.92Å; P604-R606 PolarHBondContact O-N 3.34Å; R606-S666 PolarHBondContact NH2-O 3.1Å |
| 607 | C | 37 | Very low | 54.8 | Low | 73 Ų | 73 | 58.1 Ų | 58.1 | 49% | 0.493 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -87.2 | -17.1 | 171.8 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | P604 T605 | P604-C607 WeakPolarHBondContact O-CB 3.43Å; P604-C607 PolarHBondContact O-N 3.09Å; T605-C607 PolarHBondContact O-N 2.93Å |
| 608 | L | 37.3 | Very low | 54.7 | Low | 56 Ų | 56 | 58.6 Ų | 58.6 | 29% | 0.293 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -137.7 | 0.9 | -163.5 | -67.8 | 173.7 | 0 | 0 | 0 | 115.6 | T605 Y610 A706 I710 | T605-L608 PolarHBondContact O-N 3.2Å; T605-L608 VanDerWaalsContact O-N 3.09Å; L608-Y610 PolarHBondContact O-N 3.45Å; L608-A706 HydrophobicContact CD2-CB 4.05Å; L608-A706 WeakPolarHBondContact CD2-O 3.45Å; L608-I710 HydrophobicContact CD1-CD1 3.48Å; L608-I710 VanDerWaalsContact CD1-CD1 3.48Å; L608-I710 HydrophobicContact CD1-CG1 3.94Å |
| 609 | N | 36.5 | Very low | 54.7 | Low | 137 Ų | 137 | 58.7 Ų | 58.7 | 73% | 0.733 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 31.1 | 178.7 | -71.2 | -15.5 | 0 | 0 | 0 | 115 | T605 | T605-N609 PolarHBondContact O-N 3.44Š|
| 610 | Y | 33.4 | Very low | 54.9 | Low | 161 Ų | 161 | 58.4 Ų | 58.4 | 63% | 0.631 | 31% | 0.306 | S | S | * | . | trans | -91 | 116.8 | 170.8 | -108.3 | -100.5 | 0 | 0 | 0 | 109.4 | T605 L608 G612 | T605-Y610 WeakPolarHBondContact CB-O 3.28Å; T605-Y610 VanDerWaalsContact CG2-O 3.27Å; T605-Y610 WeakPolarHBondContact CG2-O 3.42Å; L608-Y610 PolarHBondContact O-N 3.45Å; Y610-G612 VanDerWaalsContact C-N 3.3Å | ||
| 611 | E | 32.9 | Very low | 55.4 | Low | 174 Ų | 174 | 57.4 Ų | 57.4 | 81% | 0.813 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -72.5 | -24.8 | 178.3 | -64.1 | -176.4 | 153.5 | 0 | 0 | 112.6 | G613 | E611-G613 PolarHBondContact O-N 2.91Š|
| 612 | G | 36.7 | Very low | 56.5 | Low | 48 Ų | 48 | 55.4 Ų | 55.4 | 50% | 0.495 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -70 | 110.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y610 | Y610-G612 VanDerWaalsContact C-N 3.3Š|
| 613 | G | 45.3 | Very low | 58.3 | Low | 17 Ų | 17 | 50.8 Ų | 50.8 | 18% | 0.175 | 27% | 0.27 | C | S | . | . | trans | -55.1 | 144.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E611 M615 | E611-G613 PolarHBondContact O-N 2.91Å; G613-M615 PolarHBondContact O-N 2.62Å; G613-M615 VanDerWaalsContact O-N 3.08Å | ||
| 614 | I | 57.4 | Low | 60.4 | Low | 31 Ų | 31 | 48 Ų | 48 | 16% | 0.159 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -53.3 | -36 | -171.4 | -61.1 | 177.3 | 0 | 0 | 0 | 112.6 | Q597 P604 I710 F712 | Q597-I614 HydrophobicContact CG-CD1 4.34Å; P604-I614 HydrophobicContact CB-CD1 3.7Å; P604-I614 VanDerWaalsContact CD-CD1 3.48Å; P604-I614 HydrophobicContact CG-CD1 3.45Å; P604-I614 VanDerWaalsContact CG-CD1 3.45Å; I614-I710 HydrophobicContact CG2-CG2 4.06Å; I614-F712 WeakPolarHBondContact CG2-O 3.37Å; I614-F712 VanDerWaalsContact O-O 3.08Å |
| 615 | M | 71.7 | Confident | 63 | Low | 14 Ų | 14 | 49.1 Ų | 49.1 | 7% | 0.069 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -120.7 | 130.5 | 173.4 | -62.3 | -177.3 | -173 | 0 | 0 | 109 | T507 G613 F619 L620 I623 F712 | T507-M615 HydrophobicContact CG2-CE 3.68Å; T507-M615 HydrophobicContact CG2-SD 4.46Å; G613-M615 PolarHBondContact O-N 2.62Å; G613-M615 VanDerWaalsContact O-N 3.08Å; M615-F619 HydrophobicContact CB-CD1 3.99Å; M615-F619 HydrophobicContact CG-CD1 3.9Å; M615-F619 HydrophobicContact CG-CE1 4.2Å; M615-F619 HydrophobicContact SD-CD1 4.11Å; M615-F619 HydrophobicContact SD-CE1 4.21Å; M615-L620 HydrophobicContact CB-CD1 4.34Å; M615-L620 HydrophobicContact CB-CD2 3.95Å; M615-L620 HydrophobicContact CB-CG 3.86Å; M615-L620 HydrophobicContact SD-CD2 3.82Å; M615-I623 HydrophobicContact SD-CD1 3.93Å; M615-F712 HydrophobicContact CE-CB 4.1Å; M615-F712 HydrophobicContact CE-CD2 3.49Å; M615-F712 VanDerWaalsContact CE-CD2 3.49Å; M615-F712 HydrophobicContact CE-CE2 4.22Å; M615-F712 HydrophobicContact CE-CG 4Å |
| 616 | S | 74 | Confident | 65.6 | Low | 46 Ų | 46 | 47.6 Ų | 47.6 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | trans | -68.2 | 154.6 | 173.2 | 66.9 | 0 | 0 | 0 | 0 | 110.9 | S618 F619 L620 | S616-S618 VanDerWaalsContact C-N 3.27Å; S616-S618 PolarHBondContact O-N 3.2Å; S616-F619 WeakPolarHBondContact O-CB 3.36Å; S616-F619 PolarHBondContact O-N 3.23Å; S616-F619 WeakPolarHBondContact OG-CB 3.41Å; S616-F619 PolarHBondContact OG-N 3.37Å; S616-L620 PolarHBondContact O-N 2.78Å | ||
| 617 | P | 79 | Confident | 68.3 | Low | 27 Ų | 27 | 40.4 Ų | 40.4 | 18% | 0.175 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -54.6 | -42.1 | 175.9 | -26.9 | 35.4 | 0 | 0 | 0 | 112.9 | F619 L620 F621 N656 H657 | P617-F619 VanDerWaalsContact C-N 3.33Å; P617-F619 PolarHBondContact O-N 2.93Å; P617-L620 WeakPolarHBondContact O-CB 3.5Å; P617-L620 PolarHBondContact O-N 3.48Å; P617-F621 HydrophobicContact CB-CE2 4.21Å; P617-F621 WeakPolarHBondContact O-CD2 3.48Å; P617-F621 WeakPolarHBondContact O-CG 3.35Å; P617-F621 PolarHBondContact O-N 3.09Å; P617-N656 HydrophobicContact CG-CB 4.3Å; P617-H657 HydrophobicContact CB-CB 4.06Å |
| 618 | S | 82.5 | Confident | 70.8 | Confident | 18 Ų | 18 | 37.7 Ų | 37.7 | 13% | 0.126 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.7 | -40.6 | 174.2 | -54.4 | 0 | 0 | 0 | 0 | 113.3 | S616 R622 S720 | S616-S618 VanDerWaalsContact C-N 3.27Å; S616-S618 PolarHBondContact O-N 3.2Å; S618-R622 PolarHBondContact O-N 3.33Å; S618-S720 WeakPolarHBondContact CB-OG 3.32Å |
| 619 | F | 86.7 | Confident | 73.2 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.8 | -40.3 | 176 | -167.3 | -105.9 | 0 | 0 | 0 | 111.7 | T507 L510 M615 S616 P617 R622 I623 I714 | T507-F619 HydrophobicContact CG2-CE1 3.64Å; T507-F619 HydrophobicContact CG2-CZ 4.02Å; L510-F619 HydrophobicContact CB-CE2 3.97Å; L510-F619 HydrophobicContact CB-CZ 4.22Å; L510-F619 HydrophobicContact CD2-CD2 3.55Å; L510-F619 HydrophobicContact CD2-CE1 4.45Å; L510-F619 HydrophobicContact CD2-CE2 3.43Å; L510-F619 VanDerWaalsContact CD2-CE2 3.43Å; L510-F619 HydrophobicContact CD2-CG 4.11Å; L510-F619 HydrophobicContact CD2-CZ 3.92Å; L510-F619 HydrophobicContact CG-CD2 3.9Å; L510-F619 HydrophobicContact CG-CE2 3.44Å; L510-F619 VanDerWaalsContact CG-CE2 3.44Å; L510-F619 HydrophobicContact CG-CZ 4.12Å; M615-F619 HydrophobicContact CB-CD1 3.99Å; M615-F619 HydrophobicContact CG-CD1 3.9Å; M615-F619 HydrophobicContact CG-CE1 4.2Å; M615-F619 HydrophobicContact SD-CD1 4.11Å; M615-F619 HydrophobicContact SD-CE1 4.21Å; S616-F619 WeakPolarHBondContact O-CB 3.36Å; S616-F619 PolarHBondContact O-N 3.23Å; S616-F619 WeakPolarHBondContact OG-CB 3.41Å; S616-F619 PolarHBondContact OG-N 3.37Å; P617-F619 VanDerWaalsContact C-N 3.33Å; P617-F619 PolarHBondContact O-N 2.93Å; F619-R622 PolarHBondContact O-N 3.08Å; F619-I623 HydrophobicContact CD1-CD1 3.86Å; F619-I623 HydrophobicContact CE1-CD1 3.88Å; F619-I623 WeakPolarHBondContact O-CG1 3.4Å; F619-I623 PolarHBondContact O-N 3.32Å; F619-I714 HydrophobicContact CD2-CD1 3.46Å; F619-I714 VanDerWaalsContact CD2-CD1 3.46Å; F619-I714 HydrophobicContact CE1-CD1 4.33Å; F619-I714 HydrophobicContact CE2-CD1 3.22Å; F619-I714 HydrophobicContact CG-CD1 4.14Å; F619-I714 HydrophobicContact CZ-CD1 3.72Å |
| 620 | L | 88.7 | Confident | 75.5 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.5 | -41.7 | 175.6 | -68.5 | 162.1 | 0 | 0 | 0 | 112.5 | L600 M615 S616 P617 R622 I623 A624 Y649 F652 A653 | L600-L620 HydrophobicContact CD1-CD2 4.3Å; L600-L620 HydrophobicContact CD2-CD2 3.97Å; M615-L620 HydrophobicContact CB-CD1 4.34Å; M615-L620 HydrophobicContact CB-CD2 3.95Å; M615-L620 HydrophobicContact CB-CG 3.86Å; M615-L620 HydrophobicContact SD-CD2 3.82Å; S616-L620 PolarHBondContact O-N 2.78Å; P617-L620 WeakPolarHBondContact O-CB 3.5Å; P617-L620 PolarHBondContact O-N 3.48Å; L620-R622 VanDerWaalsContact C-N 3.3Å; L620-R622 PolarHBondContact O-N 3.18Å; L620-I623 PolarHBondContact O-N 3.03Å; L620-A624 WeakPolarHBondContact O-CB 3.23Å; L620-A624 PolarHBondContact O-N 3.31Å; L620-Y649 HydrophobicContact CD2-CD1 4.16Å; L620-Y649 HydrophobicContact CD2-CE1 4.2Å; L620-F652 HydrophobicContact CD1-CD1 3.77Å; L620-F652 HydrophobicContact CD1-CE1 4.09Å; L620-F652 HydrophobicContact CD2-CD1 4.32Å; L620-A653 HydrophobicContact CB-CB 3.69Å |
| 621 | F | 89.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.1 | -40.7 | 175.3 | -73.2 | -48.2 | 0 | 0 | 0 | 112 | P617 A624 Q625 W650 A653 L654 H657 W721 W737 C738 | P617-F621 HydrophobicContact CB-CE2 4.21Å; P617-F621 WeakPolarHBondContact O-CD2 3.48Å; P617-F621 WeakPolarHBondContact O-CG 3.35Å; P617-F621 PolarHBondContact O-N 3.09Å; F621-A624 WeakPolarHBondContact O-CB 3.41Å; F621-A624 PolarHBondContact O-N 3.02Å; F621-Q625 PolarHBondContact O-N 3Å; F621-W650 HydrophobicContact CB-CZ3 4.26Å; F621-W650 AromaticContact CD1-CE3 3.65Å; F621-W650 HydrophobicContact CD1-CE3 3.65Å; F621-W650 AromaticContact CD1-CZ3 3.51Å; F621-W650 HydrophobicContact CD1-CZ3 3.51Å; F621-W650 HydrophobicContact CE1-CE3 4.19Å; F621-W650 HydrophobicContact CE1-CZ3 4.27Å; F621-W650 HydrophobicContact CG-CZ3 4.27Å; F621-A653 HydrophobicContact CD1-CB 3.32Å; F621-A653 HydrophobicContact CD2-CB 4.47Å; F621-A653 HydrophobicContact CE1-CB 3.33Å; F621-A653 HydrophobicContact CE2-CB 4.47Å; F621-A653 HydrophobicContact CG-CB 3.92Å; F621-A653 HydrophobicContact CZ-CB 3.93Å; F621-L654 HydrophobicContact CE1-CD2 4.02Å; F621-L654 HydrophobicContact CE1-CG 4.08Å; F621-L654 HydrophobicContact CZ-CD2 4.21Å; F621-H657 HydrophobicContact CE2-CB 4.31Å; F621-H657 HydrophobicContact CZ-CB 4.14Å; F621-W721 HydrophobicContact CB-CH2 4.22Å; F621-W721 HydrophobicContact CD2-CH2 4.36Å; F621-W737 HydrophobicContact CB-CE3 3.96Å; F621-W737 WeakPolarHBondContact O-CZ3 3.33Å; F621-C738 WeakPolarHBondContact CZ-SG 3.24Å |
| 622 | R | 90.8 | Very high | 80 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.9 | -40.2 | 176.2 | -68.5 | -172 | 74.9 | -174 | 6 | 113.1 | D448 T450 L451 L510 S618 F619 L620 A624 Q625 G626 S720 W721 C722 W737 | D448-R622 IonicContact OD1-CZ 2.76Å; D448-R622 IonicContact OD1-NH2 3.6Å; D448-R622 PolarHBondContact OD1-NH2 3.17Å; D448-R622 IonicContact OD2-CZ 3.44Å; D448-R622 IonicContact OD2-NE 2.72Å; D448-R622 PolarHBondContact OD2-NE 3.33Å; D448-R622 IonicContact OD2-NH2 3.29Å; D448-R622 PolarHBondContact OD2-NH2 3.44Å; T450-R622 PolarHBondContact OG1-NH2 3.31Å; L451-R622 HydrophobicContact CD1-CB 4.41Å; L451-R622 WeakPolarHBondContact CD1-O 3.39Å; L510-R622 HydrophobicContact CD1-CB 4.17Å; L510-R622 VanDerWaalsContact CD1-CZ 3.46Å; L510-R622 HydrophobicContact CD2-CB 3.71Å; S618-R622 PolarHBondContact O-N 3.33Å; F619-R622 PolarHBondContact O-N 3.08Å; L620-R622 VanDerWaalsContact C-N 3.3Å; L620-R622 PolarHBondContact O-N 3.18Å; R622-A624 VanDerWaalsContact C-N 3.35Å; R622-Q625 PolarHBondContact O-N 3.25Å; R622-G626 PolarHBondContact O-N 2.65Å; R622-S720 WeakPolarHBondContact CD-O 3.34Å; R622-S720 PolarHBondContact NH1-O 3.47Å; R622-W721 HydrophobicContact CG-CE3 4.14Å; R622-W721 HydrophobicContact CG-CZ3 3.83Å; R622-C722 PolarHBondContact NH1-O 2.97Å; R622-C722 PolarHBondContact NH2-O 3.41Å; R622-W737 HydrophobicContact CB-CZ3 4.41Å; R622-W737 HydrophobicContact CG-CH2 3.91Å; R622-W737 HydrophobicContact CG-CZ3 3.9Å |
| 623 | I | 91 | Very high | 81.8 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.5 | -44.3 | 173.2 | -59.1 | 161.6 | 0 | 0 | 0 | 110.4 | I506 T507 L510 M615 F619 L620 Q625 G626 L627 Y649 | I506-I623 HydrophobicContact CG2-CG2 4.42Å; T507-I623 HydrophobicContact CG2-CD1 3.97Å; L510-I623 HydrophobicContact CD2-CG1 3.92Å; M615-I623 HydrophobicContact SD-CD1 3.93Å; F619-I623 HydrophobicContact CD1-CD1 3.86Å; F619-I623 HydrophobicContact CE1-CD1 3.88Å; F619-I623 WeakPolarHBondContact O-CG1 3.4Å; F619-I623 PolarHBondContact O-N 3.32Å; L620-I623 PolarHBondContact O-N 3.03Å; I623-Q625 PolarHBondContact O-N 3.39Å; I623-G626 PolarHBondContact O-N 3.45Å; I623-L627 HydrophobicContact CG2-CD1 4.27Å; I623-L627 WeakPolarHBondContact O-CG 3.27Å; I623-L627 PolarHBondContact O-N 2.86Å; I623-Y649 HydrophobicContact CB-CD1 3.94Å; I623-Y649 HydrophobicContact CB-CE1 3.96Å; I623-Y649 HydrophobicContact CD1-CE1 4.06Å; I623-Y649 HydrophobicContact CG2-CD1 3.66Å; I623-Y649 HydrophobicContact CG2-CE1 3.4Å; I623-Y649 VanDerWaalsContact CG2-CE1 3.4Å; I623-Y649 HydrophobicContact CG2-CG 4.38Å |
| 624 | A | 91 | Very high | 83 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.8 | -48.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L620 F621 R622 G626 L627 T628 W650 | L620-A624 WeakPolarHBondContact O-CB 3.23Å; L620-A624 PolarHBondContact O-N 3.31Å; F621-A624 WeakPolarHBondContact O-CB 3.41Å; F621-A624 PolarHBondContact O-N 3.02Å; R622-A624 VanDerWaalsContact C-N 3.35Å; A624-G626 PolarHBondContact O-N 3.06Å; A624-L627 PolarHBondContact O-N 3.2Å; A624-T628 PolarHBondContact O-N 3.46Å; A624-T628 PolarHBondContact O-OG1 3.47Å; A624-W650 HydrophobicContact CB-CB 4.48Å; A624-W650 HydrophobicContact CB-CD2 3.44Å; A624-W650 VanDerWaalsContact CB-CD2 3.44Å; A624-W650 VanDerWaalsContact CB-CE2 3.48Å; A624-W650 HydrophobicContact CB-CE3 3.96Å; A624-W650 HydrophobicContact CB-CG 3.69Å; A624-W650 HydrophobicContact CB-CH2 4.5Å; A624-W650 HydrophobicContact CB-CZ2 4.04Å; A624-W650 HydrophobicContact CB-CZ3 4.46Å |
| 625 | Q | 90.8 | Very high | 83.6 | Confident | 42 Ų | 42 | 25.4 Ų | 25.4 | 20% | 0.196 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.6 | -38.2 | 176.4 | -177.4 | 65.3 | -4.3 | 0 | 0 | 112.9 | F621 R622 I623 L627 T628 K629 W650 W737 | F621-Q625 PolarHBondContact O-N 3Å; R622-Q625 PolarHBondContact O-N 3.25Å; I623-Q625 PolarHBondContact O-N 3.39Å; Q625-L627 VanDerWaalsContact C-N 3.33Å; Q625-L627 PolarHBondContact O-N 3.24Å; Q625-T628 PolarHBondContact O-N 2.88Å; Q625-K629 WeakPolarHBondContact O-CG 3.19Å; Q625-K629 PolarHBondContact O-N 3.32Å; Q625-W650 HydrophobicContact CB-CH2 4.23Å; Q625-W650 HydrophobicContact CB-CZ2 3.93Å; Q625-W737 HydrophobicContact CB-CE3 4.25Å; Q625-W737 HydrophobicContact CB-CH2 3.93Å; Q625-W737 HydrophobicContact CB-CZ3 3.37Å; Q625-W737 HydrophobicContact CG-CH2 3.86Å; Q625-W737 HydrophobicContact CG-CZ3 3.76Å |
| 626 | G | 90.1 | Very high | 83.3 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -41 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R622 I623 A624 L630 | R622-G626 PolarHBondContact O-N 2.65Å; I623-G626 PolarHBondContact O-N 3.45Å; A624-G626 PolarHBondContact O-N 3.06Å; G626-L630 PolarHBondContact O-N 3.47Å |
| 627 | L | 91.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.3 | -44.2 | 172.6 | -67.7 | 173.3 | 0 | 0 | 0 | 111.6 | I502 I506 I623 A624 Q625 K629 L630 M631 F642 P646 Y649 | I502-L627 HydrophobicContact CG2-CD2 4.39Å; I506-L627 HydrophobicContact CD1-CD2 3.97Å; I623-L627 HydrophobicContact CG2-CD1 4.27Å; I623-L627 WeakPolarHBondContact O-CG 3.27Å; I623-L627 PolarHBondContact O-N 2.86Å; A624-L627 PolarHBondContact O-N 3.2Å; Q625-L627 VanDerWaalsContact C-N 3.33Å; Q625-L627 PolarHBondContact O-N 3.24Å; L627-K629 VanDerWaalsContact C-N 3.35Å; L627-K629 PolarHBondContact O-N 3.42Å; L627-L630 WeakPolarHBondContact O-CB 3.21Å; L627-L630 PolarHBondContact O-N 3.36Å; L627-L630 VanDerWaalsContact O-N 3.1Å; L627-M631 PolarHBondContact O-N 3.07Å; L627-F642 HydrophobicContact CD2-CZ 4.17Å; L627-F642 WeakPolarHBondContact O-CE1 3.38Å; L627-P646 HydrophobicContact CB-CB 3.86Å; L627-P646 HydrophobicContact CB-CG 4.29Å; L627-Y649 HydrophobicContact CD1-CD2 3.88Å; L627-Y649 HydrophobicContact CD1-CE2 4.18Å; L627-Y649 HydrophobicContact CD1-CG 4.3Å |
| 628 | T | 89.6 | Confident | 82.8 | Confident | 16 Ų | 16 | 37.4 Ų | 37.4 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.3 | -44.9 | 174.3 | -68 | 0 | 0 | 0 | 0 | 112 | A624 Q625 L630 M631 W650 W744 | A624-T628 PolarHBondContact O-N 3.46Å; A624-T628 PolarHBondContact O-OG1 3.47Å; Q625-T628 PolarHBondContact O-N 2.88Å; T628-L630 VanDerWaalsContact C-N 3.33Å; T628-L630 PolarHBondContact O-N 3.33Å; T628-M631 WeakPolarHBondContact O-CB 3.43Å; T628-M631 PolarHBondContact O-N 3.42Å; T628-W650 PolarHBondContact OG1-NE1 2.87Å; T628-W650 VanDerWaalsContact OG1-NE1 3.12Å; T628-W744 VanDerWaalsContact CG2-NE1 3.32Å |
| 629 | K | 87.3 | Confident | 82.3 | Confident | 23 Ų | 23 | 39.9 Ų | 39.9 | 10% | 0.1 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.3 | -39.8 | 174.9 | -75 | -173.2 | -174.3 | -174.5 | 0 | 112.5 | D446 D448 L451 L453 L456 Q625 L627 | D446-K629 IonicContact OD1-NZ 3.19Å; D446-K629 PolarHBondContact OD1-NZ 3.29Å; D448-K629 PolarHBondContact O-NZ 3.4Å; L451-K629 WeakPolarHBondContact O-CD 3.39Å; L451-K629 PolarHBondContact O-NZ 2.84Å; L453-K629 HydrophobicContact CD1-CB 4.11Å; L453-K629 HydrophobicContact CD1-CD 4.29Å; L456-K629 HydrophobicContact CD1-CB 3.62Å; L456-K629 HydrophobicContact CD1-CD 3.78Å; L456-K629 HydrophobicContact CD1-CG 4.33Å; Q625-K629 WeakPolarHBondContact O-CG 3.19Å; Q625-K629 PolarHBondContact O-N 3.32Å; L627-K629 VanDerWaalsContact C-N 3.35Å; L627-K629 PolarHBondContact O-N 3.42Å |
| 630 | L | 85.4 | Confident | 81.5 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.7 | -28.4 | 177.7 | -81.8 | 176.7 | 0 | 0 | 0 | 114.1 | L456 L460 I502 I506 G626 L627 T628 N632 Y633 F642 | L456-L630 HydrophobicContact CB-CD2 3.76Å; L456-L630 HydrophobicContact CB-CG 3.99Å; L456-L630 HydrophobicContact CD2-CD1 4.29Å; L456-L630 HydrophobicContact CD2-CG 4.34Å; L460-L630 HydrophobicContact CB-CD2 3.97Å; L460-L630 HydrophobicContact CD2-CD2 4.11Å; I502-L630 HydrophobicContact CG2-CD1 3.59Å; I506-L630 HydrophobicContact CD1-CD1 3.68Å; G626-L630 PolarHBondContact O-N 3.47Å; L627-L630 WeakPolarHBondContact O-CB 3.21Å; L627-L630 PolarHBondContact O-N 3.36Å; L627-L630 VanDerWaalsContact O-N 3.1Å; T628-L630 VanDerWaalsContact C-N 3.33Å; T628-L630 PolarHBondContact O-N 3.33Å; L630-N632 PolarHBondContact O-N 2.78Å; L630-Y633 PolarHBondContact O-N 3.04Å; L630-Y633 VanDerWaalsContact O-N 3.07Å; L630-F642 HydrophobicContact CB-CE1 4.47Å; L630-F642 HydrophobicContact CB-CZ 3.94Å |
| 631 | M | 82.3 | Confident | 80.9 | Confident | 17 Ų | 17 | 49.9 Ų | 49.9 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.4 | -39.7 | 177.6 | -169.8 | -174.9 | -52 | 0 | 0 | 111.5 | L627 T628 Y633 C634 L639 F642 E643 P646 W744 | L627-M631 PolarHBondContact O-N 3.07Å; T628-M631 WeakPolarHBondContact O-CB 3.43Å; T628-M631 PolarHBondContact O-N 3.42Å; M631-Y633 PolarHBondContact O-N 2.77Å; M631-C634 WeakPolarHBondContact O-CB 3.24Å; M631-C634 PolarHBondContact O-N 3.46Å; M631-L639 HydrophobicContact CG-CD1 3.59Å; M631-L639 HydrophobicContact CG-CG 4.32Å; M631-L639 WeakPolarHBondContact O-CD1 3.27Å; M631-L639 HydrophobicContact SD-CD1 4.36Å; M631-F642 HydrophobicContact CB-CD1 3.83Å; M631-F642 HydrophobicContact CB-CE1 3.87Å; M631-F642 HydrophobicContact CE-CD1 4.26Å; M631-F642 HydrophobicContact CG-CD1 3.9Å; M631-F642 HydrophobicContact CG-CE1 4.45Å; M631-E643 HydrophobicContact CE-CB 4.17Å; M631-E643 HydrophobicContact CE-CG 3.99Å; M631-E643 HydrophobicContact SD-CB 4.29Å; M631-E643 HydrophobicContact SD-CG 4.12Å; M631-P646 HydrophobicContact CE-CB 4.47Å; M631-P646 HydrophobicContact CE-CG 3.24Å; M631-W744 HydrophobicContact CE-CH2 4.1Å; M631-W744 HydrophobicContact CE-CZ2 3.55Å |
| 632 | N | 78.2 | Confident | 80.6 | Confident | 133 Ų | 133 | 49.9 Ų | 49.9 | 71% | 0.711 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -13.8 | 179.2 | -63 | -18.1 | 0 | 0 | 0 | 114 | L630 | L630-N632 PolarHBondContact O-N 2.78Š|
| 633 | Y | 74.9 | Confident | 80.2 | Confident | 100 Ų | 100 | 51.5 Ų | 51.5 | 39% | 0.392 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -2.1 | 174.7 | -78.1 | -96.8 | 0 | 0 | 0 | 113.6 | L453 L630 M631 | L453-Y633 HydrophobicContact CD1-CE2 3.75Å; L453-Y633 HydrophobicContact CD2-CE2 3.84Å; L453-Y633 WeakPolarHBondContact CD2-OH 3.45Å; L453-Y633 HydrophobicContact CG-CE2 3.65Å; L453-Y633 WeakPolarHBondContact CG-OH 3.11Å; L630-Y633 PolarHBondContact O-N 3.04Å; L630-Y633 VanDerWaalsContact O-N 3.07Å; M631-Y633 PolarHBondContact O-N 2.77Å |
| 634 | C | 71.2 | Confident | 79.8 | Confident | 15 Ų | 15 | 53 Ų | 53 | 10% | 0.101 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -81.2 | 132.6 | 177.7 | -67.9 | 0 | 0 | 0 | 0 | 110.4 | M631 R638 L639 | M631-C634 WeakPolarHBondContact O-CB 3.24Å; M631-C634 PolarHBondContact O-N 3.46Å; C634-R638 HydrophobicContact CB-CB 4.36Å; C634-L639 HydrophobicContact CB-CD1 4.19Å |
| 635 | S | 69.4 | Low | 79.6 | Confident | 76 Ų | 76 | 53.1 Ų | 53.1 | 53% | 0.531 | 28% | 0.281 | S | S | . | . | trans | -56.4 | 146.3 | 169.5 | -40.6 | 0 | 0 | 0 | 0 | 109.9 | N637 R638 L639 | S635-N637 VanDerWaalsContact C-N 3.25Å; S635-N637 PolarHBondContact O-N 2.96Å; S635-N637 VanDerWaalsContact O-N 3.08Å; S635-R638 WeakPolarHBondContact O-CA 2.89Å; S635-R638 WeakPolarHBondContact O-CB 3.38Å; S635-R638 PolarHBondContact O-N 3.23Å; S635-L639 PolarHBondContact O-N 3.18Å | ||
| 636 | S | 66.2 | Low | 79.5 | Confident | 98 Ų | 98 | 51.1 Ų | 51.1 | 69% | 0.685 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -46.9 | -46.3 | -175.4 | -42.5 | 0 | 0 | 0 | 0 | 113.2 | R638 L639 | S636-R638 PolarHBondContact O-N 3.37Å; S636-L639 VanDerWaalsContact O-CB 3.28Å; S636-L639 WeakPolarHBondContact O-CB 3.41Å; S636-L639 PolarHBondContact O-N 2.69Å |
| 637 | N | 68.8 | Low | 79.2 | Confident | 149 Ų | 149 | 52.1 Ų | 52.1 | 80% | 0.797 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.2 | -14 | 178.9 | -52.6 | 27.5 | 0 | 0 | 0 | 115.2 | S635 | S635-N637 VanDerWaalsContact C-N 3.25Å; S635-N637 PolarHBondContact O-N 2.96Å; S635-N637 VanDerWaalsContact O-N 3.08Å |
| 638 | R | 72.2 | Confident | 78.8 | Confident | 93 Ų | 93 | 53.5 Ų | 53.5 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -104 | -16.8 | 177.3 | -66.8 | -172.5 | -175.2 | -147.5 | 1.3 | 112.5 | F472 C634 S635 S636 T641 F642 | F472-R638 HydrophobicContact CD1-CB 4.05Å; F472-R638 HydrophobicContact CD1-CG 4.07Å; F472-R638 HydrophobicContact CE1-CB 3.72Å; F472-R638 HydrophobicContact CE1-CG 4.17Å; F472-R638 HydrophobicContact CZ-CB 4.43Å; C634-R638 HydrophobicContact CB-CB 4.36Å; S635-R638 WeakPolarHBondContact O-CA 2.89Å; S635-R638 WeakPolarHBondContact O-CB 3.38Å; S635-R638 PolarHBondContact O-N 3.23Å; S636-R638 PolarHBondContact O-N 3.37Å; R638-T641 PolarHBondContact O-N 3.35Å; R638-T641 VanDerWaalsContact O-N 3.17Å; R638-T641 PolarHBondContact O-OG1 2.8Å; R638-F642 PolarHBondContact O-N 2.92Å; R638-F642 VanDerWaalsContact O-N 3.14Å |
| 639 | L | 71.8 | Confident | 78.8 | Confident | 69 Ų | 69 | 52.7 Ų | 52.7 | 36% | 0.361 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.1 | -51.3 | -172.5 | -155.6 | 78.1 | 0 | 0 | 0 | 111 | M631 C634 S635 S636 T641 F642 E643 | M631-L639 HydrophobicContact CG-CD1 3.59Å; M631-L639 HydrophobicContact CG-CG 4.32Å; M631-L639 WeakPolarHBondContact O-CD1 3.27Å; M631-L639 HydrophobicContact SD-CD1 4.36Å; C634-L639 HydrophobicContact CB-CD1 4.19Å; S635-L639 PolarHBondContact O-N 3.18Å; S636-L639 VanDerWaalsContact O-CB 3.28Å; S636-L639 WeakPolarHBondContact O-CB 3.41Å; S636-L639 PolarHBondContact O-N 2.69Å; L639-T641 PolarHBondContact O-N 2.91Å; L639-T641 VanDerWaalsContact O-N 3.16Å; L639-F642 PolarHBondContact O-N 2.91Å; L639-E643 PolarHBondContact O-N 3.15Å |
| 640 | E | 71.2 | Confident | 78.9 | Confident | 150 Ų | 150 | 51.7 Ų | 51.7 | 70% | 0.701 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -53.2 | -36.1 | 176.8 | -63.1 | 171.6 | -165.5 | 0 | 0 | 113 | P644 | E640-P644 WeakPolarHBondContact O-CD 3.37Å |
| 641 | T | 76 | Confident | 78.8 | Confident | 64 Ų | 64 | 52.7 Ų | 52.7 | 39% | 0.393 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -84.7 | -14.9 | -179.9 | 68.9 | 0 | 0 | 0 | 0 | 114 | S473 R638 L639 | S473-T641 WeakPolarHBondContact CB-O 3.39Å; S473-T641 PolarHBondContact OG-O 3.48Å; R638-T641 PolarHBondContact O-N 3.35Å; R638-T641 VanDerWaalsContact O-N 3.17Å; R638-T641 PolarHBondContact O-OG1 2.8Å; L639-T641 PolarHBondContact O-N 2.91Å; L639-T641 VanDerWaalsContact O-N 3.16Å |
| 642 | F | 83.4 | Confident | 78.8 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -98.2 | -38.2 | -178.2 | -168.9 | -83.3 | 0 | 0 | 0 | 111.4 | F472 I499 L627 L630 M631 R638 L639 W645 P646 | F472-F642 HydrophobicContact CE1-CB 4.23Å; F472-F642 AromaticContact CE1-CD2 3.9Å; F472-F642 HydrophobicContact CE1-CD2 3.9Å; F472-F642 AromaticContact CZ-CD2 3.61Å; F472-F642 HydrophobicContact CZ-CD2 3.61Å; F472-F642 HydrophobicContact CZ-CE2 4.26Å; I499-F642 HydrophobicContact CD1-CB 4.46Å; I499-F642 HydrophobicContact CD1-CD2 3.46Å; I499-F642 VanDerWaalsContact CD1-CD2 3.46Å; I499-F642 HydrophobicContact CD1-CE2 4.03Å; I499-F642 HydrophobicContact CD1-CG 4.24Å; I499-F642 HydrophobicContact CG1-CD2 3.83Å; I499-F642 HydrophobicContact CG1-CE2 3.91Å; L627-F642 HydrophobicContact CD2-CZ 4.17Å; L627-F642 WeakPolarHBondContact O-CE1 3.38Å; L630-F642 HydrophobicContact CB-CE1 4.47Å; L630-F642 HydrophobicContact CB-CZ 3.94Å; M631-F642 HydrophobicContact CB-CD1 3.83Å; M631-F642 HydrophobicContact CB-CE1 3.87Å; M631-F642 HydrophobicContact CE-CD1 4.26Å; M631-F642 HydrophobicContact CG-CD1 3.9Å; M631-F642 HydrophobicContact CG-CE1 4.45Å; R638-F642 PolarHBondContact O-N 2.92Å; R638-F642 VanDerWaalsContact O-N 3.14Å; L639-F642 PolarHBondContact O-N 2.91Å; F642-W645 WeakPolarHBondContact O-CB 3.23Å; F642-W645 PolarHBondContact O-N 3.24Å; F642-W645 VanDerWaalsContact O-N 3.08Å; F642-P646 VanDerWaalsContact O-CD 3.29Å; F642-P646 WeakPolarHBondContact O-CD 3.25Å |
| 643 | E | 83.1 | Confident | 79.2 | Confident | 34 Ų | 34 | 47.1 Ų | 47.1 | 16% | 0.159 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -40.1 | -177.2 | -163.4 | -163.2 | 164.5 | 0 | 0 | 115.9 | M631 L639 W645 P646 L647 W744 A748 H752 | M631-E643 HydrophobicContact CE-CB 4.17Å; M631-E643 HydrophobicContact CE-CG 3.99Å; M631-E643 HydrophobicContact SD-CB 4.29Å; M631-E643 HydrophobicContact SD-CG 4.12Å; L639-E643 PolarHBondContact O-N 3.15Å; E643-W645 PolarHBondContact O-N 2.92Å; E643-W645 VanDerWaalsContact O-N 3.11Å; E643-P646 VanDerWaalsContact O-CD 3.31Å; E643-P646 WeakPolarHBondContact O-CD 3.38Å; E643-L647 PolarHBondContact O-N 2.84Å; E643-W744 HydrophobicContact CG-CH2 4.39Å; E643-A748 WeakPolarHBondContact OE1-CB 3.29Å; E643-H752 IonicContact OE1-CD2 3.85Å; E643-H752 IonicContact OE1-CE1 3.75Å; E643-H752 IonicContact OE1-NE2 2.68Å; E643-H752 PolarHBondContact OE1-NE2 2.77Å; E643-H752 IonicContact OE2-CD2 3.48Å; E643-H752 IonicContact OE2-CE1 3.13Å; E643-H752 IonicContact OE2-NE2 3.65Å; E643-H752 PolarHBondContact OE2-NE2 3.15Å |
| 644 | P | 82.3 | Confident | 79.5 | Confident | 31 Ų | 31 | 42.4 Ų | 42.4 | 20% | 0.201 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.2 | -21.8 | -179.9 | -25.2 | 36.3 | 0 | 0 | 0 | 114.5 | F479 E640 H648 | F479-P644 HydrophobicContact CE2-CB 4.29Å; E640-P644 WeakPolarHBondContact O-CD 3.37Å; P644-H648 WeakPolarHBondContact O-CB 3.39Å; P644-H648 PolarHBondContact O-N 3.25Å |
| 645 | W | 85.7 | Confident | 79.7 | Confident | 3 Ų | 3 | 44 Ų | 44 | 1% | 0.011 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.6 | -58.5 | -176.4 | -72.3 | 82.6 | 0 | 0 | 0 | 113.6 | S473 P477 I499 D500 R599 F642 E643 L647 H648 Y649 | S473-W645 PolarHBondContact OG-NE1 2.82Å; P477-W645 HydrophobicContact CG-CZ2 4.28Å; I499-W645 HydrophobicContact CB-CD2 4.19Å; I499-W645 HydrophobicContact CB-CH2 4.43Å; I499-W645 HydrophobicContact CB-CZ2 4.1Å; I499-W645 HydrophobicContact CD1-CG 4.36Å; I499-W645 HydrophobicContact CG2-CB 4.3Å; I499-W645 HydrophobicContact CG2-CD2 3.35Å; I499-W645 HydrophobicContact CG2-CE3 3.52Å; I499-W645 HydrophobicContact CG2-CG 3.71Å; I499-W645 HydrophobicContact CG2-CH2 4.22Å; I499-W645 HydrophobicContact CG2-CZ2 4.09Å; I499-W645 HydrophobicContact CG2-CZ3 3.96Å; D500-W645 WeakPolarHBondContact OD1-CH2 3.23Å; R599-W645 HydrophobicContact CG-CH2 4.47Å; F642-W645 WeakPolarHBondContact O-CB 3.23Å; F642-W645 PolarHBondContact O-N 3.24Å; F642-W645 VanDerWaalsContact O-N 3.08Å; E643-W645 PolarHBondContact O-N 2.92Å; E643-W645 VanDerWaalsContact O-N 3.11Å; W645-L647 PolarHBondContact O-N 3.25Å; W645-H648 PolarHBondContact O-N 2.85Å; W645-Y649 WeakPolarHBondContact O-CD2 3.38Å; W645-Y649 PolarHBondContact O-N 3.48Å |
| 646 | P | 88.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.9 | -35.1 | 172.7 | 19.1 | -27.7 | 0 | 0 | 0 | 111.9 | L627 M631 F642 E643 H648 Y649 W650 W744 | L627-P646 HydrophobicContact CB-CB 3.86Å; L627-P646 HydrophobicContact CB-CG 4.29Å; M631-P646 HydrophobicContact CE-CB 4.47Å; M631-P646 HydrophobicContact CE-CG 3.24Å; F642-P646 VanDerWaalsContact O-CD 3.29Å; F642-P646 WeakPolarHBondContact O-CD 3.25Å; E643-P646 VanDerWaalsContact O-CD 3.31Å; E643-P646 WeakPolarHBondContact O-CD 3.38Å; P646-H648 PolarHBondContact O-N 3.18Å; P646-Y649 PolarHBondContact O-N 3.24Å; P646-W650 WeakPolarHBondContact O-CB 3.26Å; P646-W650 PolarHBondContact O-N 3.43Å; P646-W744 HydrophobicContact CB-CH2 4.15Å; P646-W744 HydrophobicContact CB-CZ2 4.34Å; P646-W744 HydrophobicContact CG-CH2 3.96Å; P646-W744 HydrophobicContact CG-CZ2 4.11Å |
| 647 | L | 84.8 | Confident | 80.2 | Confident | 21 Ų | 21 | 37.7 Ų | 37.7 | 11% | 0.11 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.7 | -47.2 | 175.8 | -179.2 | 59.6 | 0 | 0 | 0 | 112.4 | E643 W645 W650 L651 W744 C745 L766 | E643-L647 PolarHBondContact O-N 2.84Å; W645-L647 PolarHBondContact O-N 3.25Å; L647-W650 PolarHBondContact O-N 3.26Å; L647-L651 HydrophobicContact CD1-CD1 3.82Å; L647-L651 HydrophobicContact CD1-CG 4.2Å; L647-L651 HydrophobicContact CG-CD1 3.93Å; L647-L651 WeakPolarHBondContact O-CB 3.05Å; L647-L651 WeakPolarHBondContact O-CD1 3.36Å; L647-L651 VanDerWaalsContact O-CG 3.24Å; L647-L651 WeakPolarHBondContact O-CG 3.31Å; L647-L651 PolarHBondContact O-N 3.12Å; L647-W744 HydrophobicContact CB-CH2 4.06Å; L647-W744 HydrophobicContact CB-CZ3 3.71Å; L647-W744 HydrophobicContact CD1-CZ3 3.89Å; L647-W744 HydrophobicContact CG-CZ3 4.4Å; L647-C745 HydrophobicContact CD1-CB 4.23Å; L647-L766 HydrophobicContact CD2-CD1 4.15Å; L647-L766 HydrophobicContact CG-CD1 4.5Å |
| 648 | H | 82.8 | Confident | 80.1 | Confident | 29 Ų | 29 | 32 Ų | 32 | 13% | 0.134 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.4 | -45.8 | 175.7 | 178.3 | 58.6 | 0 | 0 | 0 | 112.5 | F479 R599 P644 W645 P646 L651 F652 | F479-H648 HydrophobicContact CD1-CB 4.13Å; F479-H648 AromaticContact CD1-CD2 3.7Å; F479-H648 AromaticContact CD1-CE1 3.37Å; F479-H648 WeakPolarHBondContact CD1-CE1 3.21Å; F479-H648 AromaticContact CD1-CG 3.48Å; F479-H648 VanDerWaalsContact CD1-CG 3.48Å; F479-H648 AromaticContact CD1-ND1 3.3Å; F479-H648 VanDerWaalsContact CD1-ND1 3.3Å; F479-H648 WeakPolarHBondContact CD1-ND1 3.37Å; F479-H648 AromaticContact CD1-NE2 3.6Å; F479-H648 HydrophobicContact CD2-CB 3.99Å; F479-H648 HydrophobicContact CE1-CB 3.88Å; F479-H648 AromaticContact CE1-CD2 3.13Å; F479-H648 WeakPolarHBondContact CE1-CD2 3.41Å; F479-H648 AromaticContact CE1-CE1 3.62Å; F479-H648 AromaticContact CE1-CG 3.3Å; F479-H648 AromaticContact CE1-ND1 3.63Å; F479-H648 AromaticContact CE1-NE2 3.32Å; F479-H648 VanDerWaalsContact CE1-NE2 3.32Å; F479-H648 WeakPolarHBondContact CE1-NE2 3.46Å; F479-H648 HydrophobicContact CE2-CB 3.73Å; F479-H648 HydrophobicContact CG-CB 4.18Å; F479-H648 AromaticContact CG-CG 3.95Å; F479-H648 AromaticContact CG-ND1 3.74Å; F479-H648 HydrophobicContact CZ-CB 3.65Å; F479-H648 AromaticContact CZ-CD2 3.6Å; F479-H648 AromaticContact CZ-CG 3.61Å; R599-H648 PolarHBondContact O-NE2 2.8Å; P644-H648 WeakPolarHBondContact O-CB 3.39Å; P644-H648 PolarHBondContact O-N 3.25Å; W645-H648 PolarHBondContact O-N 2.85Å; P646-H648 PolarHBondContact O-N 3.18Å; H648-L651 PolarHBondContact O-N 2.7Å; H648-F652 VanDerWaalsContact O-CB 3.29Å; H648-F652 WeakPolarHBondContact O-CB 3.08Å; H648-F652 PolarHBondContact O-N 3.24Å |
| 649 | Y | 89.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.6 | -43.4 | 178.4 | -90.2 | -97 | 0 | 0 | 0 | 112.7 | L598 L600 L620 I623 L627 W645 P646 F652 A653 | L598-Y649 PolarHBondContact O-OH 2.85Å; L600-Y649 HydrophobicContact CD1-CD1 4.07Å; L600-Y649 HydrophobicContact CD1-CD2 4.35Å; L600-Y649 HydrophobicContact CD1-CE1 4.05Å; L600-Y649 HydrophobicContact CD1-CE2 4.31Å; L600-Y649 HydrophobicContact CD1-CG 4.23Å; L620-Y649 HydrophobicContact CD2-CD1 4.16Å; L620-Y649 HydrophobicContact CD2-CE1 4.2Å; I623-Y649 HydrophobicContact CB-CD1 3.94Å; I623-Y649 HydrophobicContact CB-CE1 3.96Å; I623-Y649 HydrophobicContact CD1-CE1 4.06Å; I623-Y649 HydrophobicContact CG2-CD1 3.66Å; I623-Y649 HydrophobicContact CG2-CE1 3.4Å; I623-Y649 VanDerWaalsContact CG2-CE1 3.4Å; I623-Y649 HydrophobicContact CG2-CG 4.38Å; L627-Y649 HydrophobicContact CD1-CD2 3.88Å; L627-Y649 HydrophobicContact CD1-CE2 4.18Å; L627-Y649 HydrophobicContact CD1-CG 4.3Å; W645-Y649 WeakPolarHBondContact O-CD2 3.38Å; W645-Y649 PolarHBondContact O-N 3.48Å; P646-Y649 PolarHBondContact O-N 3.24Å; Y649-F652 PolarHBondContact O-N 2.9Å; Y649-A653 VanDerWaalsContact O-CB 3.29Å; Y649-A653 WeakPolarHBondContact O-CB 3.3Å; Y649-A653 PolarHBondContact O-N 3.08Å |
| 650 | W | 89.7 | Confident | 78.8 | Confident | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 175.2 | -79.4 | 119.9 | 0 | 0 | 0 | 111.7 | F621 A624 Q625 T628 P646 L647 A653 L654 W737 G741 W744 | F621-W650 HydrophobicContact CB-CZ3 4.26Å; F621-W650 AromaticContact CD1-CE3 3.65Å; F621-W650 HydrophobicContact CD1-CE3 3.65Å; F621-W650 AromaticContact CD1-CZ3 3.51Å; F621-W650 HydrophobicContact CD1-CZ3 3.51Å; F621-W650 HydrophobicContact CE1-CE3 4.19Å; F621-W650 HydrophobicContact CE1-CZ3 4.27Å; F621-W650 HydrophobicContact CG-CZ3 4.27Å; A624-W650 HydrophobicContact CB-CB 4.48Å; A624-W650 HydrophobicContact CB-CD2 3.44Å; A624-W650 VanDerWaalsContact CB-CD2 3.44Å; A624-W650 VanDerWaalsContact CB-CE2 3.48Å; A624-W650 HydrophobicContact CB-CE3 3.96Å; A624-W650 HydrophobicContact CB-CG 3.69Å; A624-W650 HydrophobicContact CB-CH2 4.5Å; A624-W650 HydrophobicContact CB-CZ2 4.04Å; A624-W650 HydrophobicContact CB-CZ3 4.46Å; Q625-W650 HydrophobicContact CB-CH2 4.23Å; Q625-W650 HydrophobicContact CB-CZ2 3.93Å; T628-W650 PolarHBondContact OG1-NE1 2.87Å; T628-W650 VanDerWaalsContact OG1-NE1 3.12Å; P646-W650 WeakPolarHBondContact O-CB 3.26Å; P646-W650 PolarHBondContact O-N 3.43Å; L647-W650 PolarHBondContact O-N 3.26Å; W650-A653 PolarHBondContact O-N 2.99Å; W650-L654 WeakPolarHBondContact O-CB 3.27Å; W650-L654 VanDerWaalsContact O-CG 3.28Å; W650-L654 WeakPolarHBondContact O-CG 3.27Å; W650-L654 PolarHBondContact O-N 3.35Å; W650-W737 HydrophobicContact CH2-CE3 4.06Å; W650-W737 WeakPolarHBondContact CZ3-O 3.33Å; W650-G741 VanDerWaalsContact CZ3-CA 3.45Å; W650-W744 AromaticContact CD1-CD2 3.81Å; W650-W744 AromaticContact CD1-CE3 3.41Å; W650-W744 VanDerWaalsContact CD1-CE3 3.41Å; W650-W744 AromaticContact CD1-CZ3 3.93Å; W650-W744 HydrophobicContact CG-CE3 4.2Å; W650-W744 AromaticContact NE1-CD2 3.91Å |
| 651 | L | 83.7 | Confident | 77.7 | Confident | 24 Ų | 24 | 26.3 Ų | 26.3 | 13% | 0.126 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.3 | -40.2 | 179.5 | -70.2 | 167.2 | 0 | 0 | 0 | 112.6 | L647 H648 K655 L766 L770 | L647-L651 HydrophobicContact CD1-CD1 3.82Å; L647-L651 HydrophobicContact CD1-CG 4.2Å; L647-L651 HydrophobicContact CG-CD1 3.93Å; L647-L651 WeakPolarHBondContact O-CB 3.05Å; L647-L651 WeakPolarHBondContact O-CD1 3.36Å; L647-L651 VanDerWaalsContact O-CG 3.24Å; L647-L651 WeakPolarHBondContact O-CG 3.31Å; L647-L651 PolarHBondContact O-N 3.12Å; H648-L651 PolarHBondContact O-N 2.7Å; L651-K655 WeakPolarHBondContact O-CB 3.34Å; L651-K655 PolarHBondContact O-N 3.26Å; L651-L766 HydrophobicContact CD1-CD1 3.66Å; L651-L766 HydrophobicContact CD1-CD2 3.87Å; L651-L766 HydrophobicContact CD1-CG 3.68Å; L651-L766 HydrophobicContact CD2-CD2 3.86Å; L651-L766 HydrophobicContact CD2-CG 4.29Å; L651-L766 HydrophobicContact CG-CD2 4.46Å; L651-L770 HydrophobicContact CD2-CD2 4.22Å |
| 652 | F | 82.1 | Confident | 75.8 | Confident | 33 Ų | 33 | 25.4 Ų | 25.4 | 15% | 0.145 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.4 | -40 | 178 | -165.8 | -99.8 | 0 | 0 | 0 | 111.5 | L600 H603 L620 H648 Y649 N656 | L600-F652 HydrophobicContact CB-CD1 4.37Å; L600-F652 HydrophobicContact CB-CD2 4.38Å; L600-F652 HydrophobicContact CB-CE1 4.25Å; L600-F652 HydrophobicContact CB-CE2 4.27Å; L600-F652 HydrophobicContact CB-CG 4.44Å; L600-F652 HydrophobicContact CB-CZ 4.2Å; L600-F652 HydrophobicContact CD1-CB 3.98Å; L600-F652 HydrophobicContact CD1-CD1 3.68Å; L600-F652 HydrophobicContact CD1-CE1 4.26Å; L600-F652 HydrophobicContact CD1-CG 3.84Å; L600-F652 HydrophobicContact CD2-CD1 4.14Å; L600-F652 HydrophobicContact CD2-CE1 3.93Å; L600-F652 HydrophobicContact CG-CD1 4.28Å; L600-F652 HydrophobicContact CG-CE1 4.37Å; H603-F652 AromaticContact NE2-CZ 3.51Å; L620-F652 HydrophobicContact CD1-CD1 3.77Å; L620-F652 HydrophobicContact CD1-CE1 4.09Å; L620-F652 HydrophobicContact CD2-CD1 4.32Å; H648-F652 VanDerWaalsContact O-CB 3.29Å; H648-F652 WeakPolarHBondContact O-CB 3.08Å; H648-F652 PolarHBondContact O-N 3.24Å; Y649-F652 PolarHBondContact O-N 2.9Å; F652-N656 VanDerWaalsContact CD1-ND2 3.31Å; F652-N656 WeakPolarHBondContact CD1-ND2 3.02Å; F652-N656 WeakPolarHBondContact CE1-ND2 3.1Å; F652-N656 WeakPolarHBondContact O-CB 3.17Å; F652-N656 VanDerWaalsContact O-CG 3.29Å; F652-N656 PolarHBondContact O-N 2.83Å; F652-N656 PolarHBondContact O-ND2 3.11Å |
| 653 | A | 85.1 | Confident | 73.4 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.5 | -49.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L620 F621 Y649 W650 K655 N656 H657 | L620-A653 HydrophobicContact CB-CB 3.69Å; F621-A653 HydrophobicContact CD1-CB 3.32Å; F621-A653 HydrophobicContact CD2-CB 4.47Å; F621-A653 HydrophobicContact CE1-CB 3.33Å; F621-A653 HydrophobicContact CE2-CB 4.47Å; F621-A653 HydrophobicContact CG-CB 3.92Å; F621-A653 HydrophobicContact CZ-CB 3.93Å; Y649-A653 VanDerWaalsContact O-CB 3.29Å; Y649-A653 WeakPolarHBondContact O-CB 3.3Å; Y649-A653 PolarHBondContact O-N 3.08Å; W650-A653 PolarHBondContact O-N 2.99Å; A653-K655 PolarHBondContact O-N 3.17Å; A653-N656 PolarHBondContact O-N 3.22Å; A653-H657 VanDerWaalsContact O-CB 3.3Å; A653-H657 WeakPolarHBondContact O-CB 3.27Å; A653-H657 PolarHBondContact O-N 3.17Å |
| 654 | L | 82.3 | Confident | 70.9 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.7 | -46 | 175.7 | -74.2 | 171.7 | 0 | 0 | 0 | 111.7 | F621 W650 H657 I658 C738 L770 L773 | F621-L654 HydrophobicContact CE1-CD2 4.02Å; F621-L654 HydrophobicContact CE1-CG 4.08Å; F621-L654 HydrophobicContact CZ-CD2 4.21Å; W650-L654 WeakPolarHBondContact O-CB 3.27Å; W650-L654 VanDerWaalsContact O-CG 3.28Å; W650-L654 WeakPolarHBondContact O-CG 3.27Å; W650-L654 PolarHBondContact O-N 3.35Å; L654-H657 PolarHBondContact O-N 3.03Å; L654-I658 WeakPolarHBondContact O-CB 3.45Å; L654-I658 WeakPolarHBondContact O-CG1 3.44Å; L654-I658 PolarHBondContact O-N 3.34Å; L654-C738 HydrophobicContact CD2-CB 4.03Å; L654-L770 HydrophobicContact CD1-CD2 4.45Å; L654-L773 HydrophobicContact CB-CD1 4.46Å |
| 655 | K | 74.8 | Confident | 68.5 | Low | 48 Ų | 48 | 36.7 Ų | 36.7 | 21% | 0.209 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.5 | -49.1 | 179.5 | -173.5 | -165.6 | 171.7 | -160.3 | 0 | 111.6 | L651 A653 H657 I658 L659 | L651-K655 WeakPolarHBondContact O-CB 3.34Å; L651-K655 PolarHBondContact O-N 3.26Å; A653-K655 PolarHBondContact O-N 3.17Å; K655-H657 VanDerWaalsContact C-N 3.3Å; K655-H657 PolarHBondContact O-N 3.23Å; K655-I658 PolarHBondContact O-N 3.27Å; K655-L659 HydrophobicContact CG-CD1 4.04Å; K655-L659 WeakPolarHBondContact O-CB 3.41Å; K655-L659 PolarHBondContact O-N 3.12Å |
| 656 | N | 73.2 | Confident | 65.7 | Low | 11 Ų | 11 | 40 Ų | 40 | 6% | 0.059 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.4 | -27.7 | -179.8 | -69.8 | -18.4 | 0 | 0 | 0 | 112.6 | P617 F652 A653 G660 F661 | P617-N656 HydrophobicContact CG-CB 4.3Å; F652-N656 VanDerWaalsContact CD1-ND2 3.31Å; F652-N656 WeakPolarHBondContact CD1-ND2 3.02Å; F652-N656 WeakPolarHBondContact CE1-ND2 3.1Å; F652-N656 WeakPolarHBondContact O-CB 3.17Å; F652-N656 VanDerWaalsContact O-CG 3.29Å; F652-N656 PolarHBondContact O-N 2.83Å; F652-N656 PolarHBondContact O-ND2 3.11Å; A653-N656 PolarHBondContact O-N 3.22Å; N656-G660 VanDerWaalsContact O-CA 3.29Å; N656-G660 WeakPolarHBondContact O-CA 3.39Å; N656-G660 PolarHBondContact O-N 2.92Å; N656-F661 HydrophobicContact CB-CE1 4.18Å |
| 657 | H | 74.2 | Confident | 62.6 | Low | 32 Ų | 32 | 45.1 Ų | 45.1 | 15% | 0.148 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.5 | -44.9 | 173.7 | -174.5 | -86 | 0 | 0 | 0 | 112.4 | P617 F621 A653 L654 K655 | P617-H657 HydrophobicContact CB-CB 4.06Å; F621-H657 HydrophobicContact CE2-CB 4.31Å; F621-H657 HydrophobicContact CZ-CB 4.14Å; A653-H657 VanDerWaalsContact O-CB 3.3Å; A653-H657 WeakPolarHBondContact O-CB 3.27Å; A653-H657 PolarHBondContact O-N 3.17Å; L654-H657 PolarHBondContact O-N 3.03Å; K655-H657 VanDerWaalsContact C-N 3.3Å; K655-H657 PolarHBondContact O-N 3.23Å |
| 658 | I | 66.8 | Low | 59.8 | Low | 28 Ų | 28 | 49.3 Ų | 49.3 | 14% | 0.144 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -88.3 | -41.2 | -170.5 | -64.4 | 168 | 0 | 0 | 0 | 112.7 | L654 K655 W742 L773 H776 I780 | L654-I658 WeakPolarHBondContact O-CB 3.45Å; L654-I658 WeakPolarHBondContact O-CG1 3.44Å; L654-I658 PolarHBondContact O-N 3.34Å; K655-I658 PolarHBondContact O-N 3.27Å; I658-W742 HydrophobicContact CD1-CZ3 4.05Å; I658-L773 HydrophobicContact CB-CD2 3.8Å; I658-L773 HydrophobicContact CD1-CB 4.08Å; I658-L773 HydrophobicContact CD1-CD1 4.34Å; I658-L773 HydrophobicContact CD1-CD2 3.91Å; I658-L773 HydrophobicContact CD1-CG 4.32Å; I658-L773 HydrophobicContact CG1-CD2 4.45Å; I658-L773 HydrophobicContact CG2-CD2 3.59Å; I658-H776 HydrophobicContact CG2-CB 4.04Å; I658-I780 HydrophobicContact CD1-CD1 4.23Å; I658-I780 HydrophobicContact CG1-CD1 4.13Å |
| 659 | L | 60.4 | Low | 57.2 | Low | 72 Ų | 72 | 52.2 Ų | 52.2 | 38% | 0.377 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -98.3 | -4.5 | -177.9 | -58 | 179.4 | 0 | 0 | 0 | 113.2 | K655 L773 | K655-L659 HydrophobicContact CG-CD1 4.04Å; K655-L659 WeakPolarHBondContact O-CB 3.41Å; K655-L659 PolarHBondContact O-N 3.12Å; L659-L773 HydrophobicContact CD1-CD2 4.48Å; L659-L773 HydrophobicContact CD2-CD2 4.46Å; L659-L773 HydrophobicContact CG-CD2 4.18Å |
| 660 | G | 56 | Low | 54.1 | Low | 29 Ų | 29 | 58.9 Ų | 58.9 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | trans | 59.8 | -163.3 | -163.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N656 S662 | N656-G660 VanDerWaalsContact O-CA 3.29Å; N656-G660 WeakPolarHBondContact O-CA 3.39Å; N656-G660 PolarHBondContact O-N 2.92Å; G660-S662 PolarHBondContact O-N 3.21Å | ||
| 661 | F | 48.2 | Very low | 51.1 | Low | 93 Ų | 93 | 67 Ų | 67 | 41% | 0.408 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -80 | 96.2 | 170.7 | -58.6 | -64 | 0 | 0 | 0 | 109.6 | H603 N656 A663 | H603-F661 AromaticContact CE1-CD1 3.61Å; H603-F661 AromaticContact CE1-CE1 3.61Å; N656-F661 HydrophobicContact CB-CE1 4.18Å; F661-A663 PolarHBondContact O-N 3.16Å |
| 662 | S | 35.1 | Very low | 48.3 | Very low | 45 Ų | 45 | 68.4 Ų | 68.4 | 32% | 0.315 | 38% | 0.381 | S | S | . | . | trans | -56.3 | 120.4 | -176.7 | 173.6 | 0 | 0 | 0 | 0 | 113.4 | G660 E664 | G660-S662 PolarHBondContact O-N 3.21Å; S662-E664 PolarHBondContact O-N 3.38Å; S662-E664 PolarHBondContact OG-N 2.83Å | ||
| 663 | A | 33.9 | Very low | 45.7 | Very low | 49 Ų | 49 | 74.4 Ų | 74.4 | 41% | 0.405 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -64.9 | -20.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | F661 Q665 S666 E1053 | F661-A663 PolarHBondContact O-N 3.16Å; A663-Q665 PolarHBondContact O-N 3.09Å; A663-Q665 VanDerWaalsContact O-N 3.12Å; A663-S666 WeakPolarHBondContact O-CB 3.27Å; A663-S666 PolarHBondContact O-N 2.96Å; A663-S666 PolarHBondContact O-OG 2.88Å; A663-E1053 WeakPolarHBondContact CB-OE1 3.33Å |
| 664 | E | 30.2 | Very low | 42.9 | Very low | 169 Ų | 169 | 82.1 Ų | 82.1 | 79% | 0.79 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -68.1 | -12.4 | -178.2 | -65.1 | -168.5 | 146.5 | 0 | 0 | 114 | S662 S666 | S662-E664 PolarHBondContact O-N 3.38Å; S662-E664 PolarHBondContact OG-N 2.83Å; E664-S666 PolarHBondContact O-N 3.29Å |
| 665 | Q | 32.4 | Very low | 40.4 | Very low | 83 Ų | 83 | 83.9 Ų | 83.9 | 39% | 0.388 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -72.5 | -0.1 | 167.7 | -59.6 | -169.2 | -11 | 0 | 0 | 112.8 | A663 T667 | A663-Q665 PolarHBondContact O-N 3.09Å; A663-Q665 VanDerWaalsContact O-N 3.12Å; Q665-T667 VanDerWaalsContact C-N 3.3Å; Q665-T667 PolarHBondContact O-N 3.44Å |
| 666 | S | 26 | Very low | 38.3 | Very low | 74 Ų | 74 | 86.5 Ų | 86.5 | 52% | 0.517 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -75.5 | -3.7 | 179.2 | 65.3 | 0 | 0 | 0 | 0 | 115.4 | R606 A663 E664 | R606-S666 PolarHBondContact NH2-O 3.1Å; A663-S666 WeakPolarHBondContact O-CB 3.27Å; A663-S666 PolarHBondContact O-N 2.96Å; A663-S666 PolarHBondContact O-OG 2.88Å; E664-S666 PolarHBondContact O-N 3.29Å |
| 667 | T | 24 | Very low | 36.2 | Very low | 106 Ų | 106 | 92.8 Ų | 92.8 | 65% | 0.65 | 52% | 0.517 | S | S | * | . | trans | -48.1 | 129.1 | -177.2 | 50.4 | 0 | 0 | 0 | 0 | 112.1 | Q665 | Q665-T667 VanDerWaalsContact C-N 3.3Å; Q665-T667 PolarHBondContact O-N 3.44Å | ||
| 668 | P | 25.7 | Very low | 34.1 | Very low | 110 Ų | 110 | 94 Ų | 94 | 71% | 0.714 | 53% | 0.528 | S | S | * | . | trans | -71.8 | 135.8 | -171.3 | 27.7 | -34.3 | 0 | 0 | 0 | 111.2 | I670 | P668-I670 PolarHBondContact O-N 3.31Š| ||
| 669 | V | 27.1 | Very low | 32.5 | Very low | 90 Ų | 90 | 95.2 Ų | 95.2 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | trans | -69.3 | 113.7 | -178.5 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | S672 | V669-S672 WeakPolarHBondContact CG1-OG 3.42Š| ||
| 670 | I | 25.7 | Very low | 31.1 | Very low | 140 Ų | 140 | 95.3 Ų | 95.3 | 72% | 0.718 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -116.7 | -5.1 | 161.4 | -66.9 | -179.1 | 0 | 0 | 0 | 111.5 | P668 | P668-I670 PolarHBondContact O-N 3.31Š|
| 671 | Q | 25.4 | Very low | 29.7 | Very low | 172 Ų | 172 | 102.9 Ų | 102.9 | 80% | 0.804 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -130.9 | 14.5 | -171.6 | -72.7 | -173 | -25.1 | 0 | 0 | 117.1 | ||
| 672 | S | 25.9 | Very low | 28.7 | Very low | 52 Ų | 52 | 103.8 Ų | 103.8 | 36% | 0.364 | 59% | 0.591 | S | S | . | * | trans | -114.5 | 51.2 | 171.7 | 75.2 | 0 | 0 | 0 | 0 | 113.2 | V669 N674 | V669-S672 WeakPolarHBondContact CG1-OG 3.42Å; S672-N674 PolarHBondContact O-N 3.2Å | ||
| 673 | H | 27.1 | Very low | 28.3 | Very low | 159 Ų | 159 | 110.6 Ų | 110.6 | 74% | 0.736 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -13.1 | 174.8 | -87.4 | -66.3 | 0 | 0 | 0 | 114.5 | ||
| 674 | N | 27.3 | Very low | 27.9 | Very low | 163 Ų | 163 | 115.1 Ų | 115.1 | 87% | 0.872 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 2.2 | -175.5 | -67.1 | 1.6 | 0 | 0 | 0 | 114.3 | S672 | S672-N674 PolarHBondContact O-N 3.2Š|
| 675 | A | 28.7 | Very low | 27.6 | Very low | 37 Ų | 37 | 110.3 Ų | 110.3 | 31% | 0.306 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -84.9 | 119 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | F677 | A675-F677 PolarHBondContact O-N 2.88Å; A675-F677 VanDerWaalsContact O-N 3.08Å |
| 676 | S | 30.2 | Very low | 27.3 | Very low | 103 Ų | 103 | 113.2 Ų | 113.2 | 72% | 0.72 | 65% | 0.645 | S | S | * | * | trans | -58.8 | 112.7 | 169.4 | 52.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 677 | F | 29.7 | Very low | 27.2 | Very low | 143 Ų | 143 | 116.5 Ų | 116.5 | 63% | 0.627 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 146.2 | 169.1 | -70.8 | -96.3 | 0 | 0 | 0 | 109.3 | A675 S679 | A675-F677 PolarHBondContact O-N 2.88Å; A675-F677 VanDerWaalsContact O-N 3.08Å; F677-S679 PolarHBondContact O-N 3.47Å |
| 678 | C | 31.5 | Very low | 27.2 | Very low | 58 Ų | 58 | 122 Ų | 122 | 39% | 0.392 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -52.7 | 119.3 | 166.3 | -66.8 | 0 | 0 | 0 | 0 | 107.7 | G680 | C678-G680 PolarHBondContact O-N 2.85Å; C678-G680 VanDerWaalsContact O-N 3.12Å |
| 679 | S | 33 | Very low | 27.2 | Very low | 52 Ų | 52 | 122.8 Ų | 122.8 | 36% | 0.364 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.2 | 118.3 | -171.5 | 59 | 0 | 0 | 0 | 0 | 109.4 | A589 F677 | A589-S679 WeakPolarHBondContact CB-OG 3.36Å; F677-S679 PolarHBondContact O-N 3.47Å |
| 680 | G | 30.4 | Very low | 27.1 | Very low | 74 Ų | 74 | 128.1 Ų | 128.1 | 76% | 0.763 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 155 | -25.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | C678 | C678-G680 PolarHBondContact O-N 2.85Å; C678-G680 VanDerWaalsContact O-N 3.12Å |
| 681 | Y | 27.1 | Very low | 27 | Very low | 189 Ų | 189 | 126.7 Ų | 126.7 | 74% | 0.741 | 69% | 0.691 | S | S | * | * | trans | -100.6 | 93 | 169.3 | -118.3 | -87.3 | 0 | 0 | 0 | 111.4 | ||||
| 682 | T | 26.6 | Very low | 27.3 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 69% | 0.687 | 69% | 0.69 | S | S | * | * | trans | -68.9 | 139 | 161.5 | 39.5 | 0 | 0 | 0 | 0 | 109.4 | F684 | T682-F684 PolarHBondContact O-N 2.75Š| ||
| 683 | K | 26.3 | Very low | 27.2 | Very low | 188 Ų | 188 | 130.1 Ų | 130.1 | 82% | 0.817 | 71% | 0.714 | S | S | * | * | trans | -73.2 | 109.5 | -175.4 | -73.9 | 176.6 | 178 | 171 | 0 | 111.1 | ||||
| 684 | F | 25.5 | Very low | 27.2 | Very low | 144 Ų | 144 | 129.2 Ų | 129.2 | 63% | 0.632 | 72% | 0.719 | S | S | * | * | trans | -80.6 | 150.4 | 157.3 | -88.7 | -86.1 | 0 | 0 | 0 | 111.8 | T682 D1628 | T682-F684 PolarHBondContact O-N 2.75Å; F684-D1628 WeakPolarHBondContact CE1-OD1 3.43Å; F684-D1628 VanDerWaalsContact CZ-OD1 3.31Å; F684-D1628 WeakPolarHBondContact CZ-OD1 3.15Å | ||
| 685 | G | 23.4 | Very low | 27.1 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | trans | -62.6 | 148 | -173 | 0 | 0 | 0 | 0 | 0 | 114 | N687 | G685-N687 PolarHBondContact O-N 2.78Å; G685-N687 VanDerWaalsContact O-N 3.08Å | ||
| 686 | T | 26.7 | Very low | 26.8 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | trans | -77.7 | 94 | -174.8 | 46 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 687 | N | 23.3 | Very low | 26.4 | Very low | 143 Ų | 143 | 138.5 Ų | 138.5 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | trans | -125.9 | 92.4 | 162.7 | -99.3 | -32.2 | 0 | 0 | 0 | 113.1 | G685 | G685-N687 PolarHBondContact O-N 2.78Å; G685-N687 VanDerWaalsContact O-N 3.08Å | ||
| 688 | R | 25.7 | Very low | 26.1 | Very low | 222 Ų | 222 | 139.4 Ų | 139.4 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | 28 | 115.7 | 152.7 | -59.2 | -176.4 | -177 | -171.6 | 1.3 | 120.1 | ||||
| 689 | C | 24 | Very low | 25.7 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | 65.2 | 89.9 | 139.4 | -59 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 690 | F | 25.2 | Very low | 25.3 | Very low | 203 Ų | 203 | 147.9 Ų | 147.9 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | -113.6 | 140.2 | 159.7 | -73.9 | -77.7 | 0 | 0 | 0 | 111.9 | ||||
| 691 | S | 24.1 | Very low | 25 | Very low | 109 Ų | 109 | 150.8 Ų | 150.8 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -99.3 | 143.3 | -177 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | M693 | S691-M693 PolarHBondContact O-N 2.81Š| ||
| 692 | P | 31 | Very low | 25 | Very low | 120 Ų | 120 | 148.6 Ų | 148.6 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -89.3 | 92.3 | -169.6 | 34.3 | -34.3 | 0 | 0 | 0 | 112.8 | ||
| 693 | M | 25.2 | Very low | 24.9 | Very low | 177 Ų | 177 | 147.5 Ų | 147.5 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | -156 | 34.9 | 175.4 | -110 | -95.4 | 164.5 | 0 | 0 | 116.5 | S691 | S691-M693 PolarHBondContact O-N 2.81Š| ||
| 694 | V | 27 | Very low | 25.1 | Very low | 140 Ų | 140 | 146.6 Ų | 146.6 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | -141.4 | 95.5 | 161 | -172.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 695 | N | 24 | Very low | 25.2 | Very low | 137 Ų | 137 | 148.7 Ų | 148.7 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | -155.4 | 70.4 | 163.8 | -119.7 | -6.3 | 0 | 0 | 0 | 110.6 | ||||
| 696 | R | 22.3 | Very low | 25.8 | Very low | 237 Ų | 237 | 148.1 Ų | 148.1 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -120 | 134.4 | 165 | -81 | -173 | 174.6 | -177 | -0.6 | 108.7 | ||
| 697 | S | 23.3 | Very low | 26.5 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | 50.7 | 63.5 | 178.5 | 67.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 698 | M | 22.9 | Very low | 27.8 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 80% | 0.803 | 74% | 0.736 | S | S | * | * | trans | -79.8 | 110.4 | 147 | -98.1 | -166.3 | 163.5 | 0 | 0 | 109 | ||||
| 699 | Q | 23.7 | Very low | 29.7 | Very low | 170 Ų | 170 | 132 Ų | 132 | 79% | 0.794 | 71% | 0.712 | S | S | * | * | trans | -58.9 | 136.4 | 152.5 | -105.6 | 154.8 | -46.6 | 0 | 0 | 107.9 | N701 | Q699-N701 PolarHBondContact O-N 2.76Š| ||
| 700 | C | 23.4 | Very low | 32 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 79% | 0.791 | 68% | 0.679 | S | S | * | * | trans | -76.3 | 69.8 | -170.6 | -158.1 | 0 | 0 | 0 | 0 | 111.6 | K702 | C700-K702 PolarHBondContact O-N 2.53Š| ||
| 701 | N | 24.5 | Very low | 34.7 | Very low | 135 Ų | 135 | 117.9 Ų | 117.9 | 72% | 0.722 | 64% | 0.636 | S | S | * | * | trans | -82.2 | 99.1 | 177.8 | -76.8 | -1.5 | 0 | 0 | 0 | 110 | Q699 T703 | Q699-N701 PolarHBondContact O-N 2.76Å; N701-T703 VanDerWaalsContact C-N 3.28Å; N701-T703 PolarHBondContact O-N 3.18Å | ||
| 702 | K | 26.7 | Very low | 37.4 | Very low | 143 Ų | 143 | 112.7 Ų | 112.7 | 62% | 0.622 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 52.3 | 22.5 | 160.9 | -71.2 | -175.2 | 176.2 | 175 | 0 | 118.8 | C700 E704 L1633 | C700-K702 PolarHBondContact O-N 2.53Å; K702-E704 VanDerWaalsContact C-N 3.3Å; K702-E704 PolarHBondContact O-N 3.29Å; K702-L1633 HydrophobicContact CB-CD1 4.41Å; K702-L1633 HydrophobicContact CD-CD1 4.23Å |
| 703 | T | 25.3 | Very low | 39.3 | Very low | 90 Ų | 90 | 111.1 Ų | 111.1 | 55% | 0.552 | 59% | 0.585 | S | S | * | * | trans | -90.6 | 57.3 | 160.8 | 60.7 | 0 | 0 | 0 | 0 | 111.3 | N701 Y705 A706 | N701-T703 VanDerWaalsContact C-N 3.28Å; N701-T703 PolarHBondContact O-N 3.18Å; T703-Y705 PolarHBondContact O-N 3.15Å; T703-Y705 VanDerWaalsContact O-N 3.13Å; T703-A706 PolarHBondContact O-N 3.33Å | ||
| 704 | E | 29.4 | Very low | 41.2 | Very low | 169 Ų | 169 | 104.4 Ų | 104.4 | 79% | 0.79 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -20.8 | -175.4 | -74.9 | -170.4 | 127.9 | 0 | 0 | 114 | K702 | K702-E704 VanDerWaalsContact C-N 3.3Å; K702-E704 PolarHBondContact O-N 3.29Å |
| 705 | Y | 29.1 | Very low | 42.5 | Very low | 188 Ų | 188 | 100.8 Ų | 100.8 | 74% | 0.737 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -26 | -175.9 | -67.3 | -77.9 | 0 | 0 | 0 | 115.2 | T703 S708 | T703-Y705 PolarHBondContact O-N 3.15Å; T703-Y705 VanDerWaalsContact O-N 3.13Å; Y705-S708 PolarHBondContact O-OG 3.48Å |
| 706 | A | 35.2 | Very low | 43.8 | Very low | 55 Ų | 55 | 100.6 Ų | 100.6 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -33.4 | -173 | 0 | 0 | 0 | 0 | 0 | 113.5 | L608 T703 | L608-A706 HydrophobicContact CD2-CB 4.05Å; L608-A706 WeakPolarHBondContact CD2-O 3.45Å; T703-A706 PolarHBondContact O-N 3.33Å |
| 707 | G | 40.5 | Very low | 45.2 | Very low | 49 Ų | 49 | 95.4 Ų | 95.4 | 51% | 0.505 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -15.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | H709 I710 | G707-H709 PolarHBondContact O-N 3.48Å; G707-I710 PolarHBondContact O-N 3.18Å |
| 708 | S | 52.4 | Low | 47.1 | Very low | 51 Ų | 51 | 92 Ų | 92 | 36% | 0.357 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.3 | -164.9 | 56.1 | 0 | 0 | 0 | 0 | 115.2 | Y705 | Y705-S708 PolarHBondContact O-OG 3.48Š|
| 709 | H | 64.4 | Low | 49.3 | Very low | 71 Ų | 71 | 86.9 Ų | 86.9 | 33% | 0.329 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -8 | -175.4 | -55.1 | -48.8 | 0 | 0 | 0 | 114.9 | F590 Q597 G707 L711 | F590-H709 HydrophobicContact CD2-CB 4.09Å; F590-H709 AromaticContact CD2-ND1 3.33Å; F590-H709 VanDerWaalsContact CD2-ND1 3.33Å; F590-H709 WeakPolarHBondContact CD2-ND1 3.48Å; F590-H709 HydrophobicContact CE2-CB 4.47Å; F590-H709 AromaticContact CG-ND1 3.92Å; Q597-H709 PolarHBondContact NE2-O 2.89Å; G707-H709 PolarHBondContact O-N 3.48Å; H709-L711 PolarHBondContact O-N 2.95Å |
| 710 | I | 72.2 | Confident | 51.9 | Low | 30 Ų | 30 | 79.3 Ų | 79.3 | 15% | 0.154 | 44% | 0.441 | C | S | . | . | trans | -79.6 | 121.6 | 176.1 | -61 | 164.8 | 0 | 0 | 0 | 109.3 | L608 I614 G707 L713 | L608-I710 HydrophobicContact CD1-CD1 3.48Å; L608-I710 VanDerWaalsContact CD1-CD1 3.48Å; L608-I710 HydrophobicContact CD1-CG1 3.94Å; I614-I710 HydrophobicContact CG2-CG2 4.06Å; G707-I710 PolarHBondContact O-N 3.18Å; I710-L713 HydrophobicContact CG2-CB 3.97Å | ||
| 711 | L | 81.7 | Confident | 54.6 | Low | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.005 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -79.3 | -36.7 | 178 | -61.9 | -174.3 | 0 | 0 | 0 | 112.3 | F504 A562 Q563 W566 F590 G594 H709 | F504-L711 HydrophobicContact CD2-CD1 4.42Å; F504-L711 HydrophobicContact CE2-CD1 4.23Å; A562-L711 HydrophobicContact CB-CD2 4.15Å; Q563-L711 VanDerWaalsContact CG-O 3.29Å; Q563-L711 WeakPolarHBondContact CG-O 3.2Å; Q563-L711 PolarHBondContact NE2-O 3.24Å; W566-L711 HydrophobicContact CB-CD1 4.35Å; W566-L711 HydrophobicContact CB-CD2 3.71Å; W566-L711 HydrophobicContact CD2-CD1 4.13Å; W566-L711 HydrophobicContact CG-CD1 3.91Å; W566-L711 HydrophobicContact CG-CD2 4.09Å; F590-L711 HydrophobicContact CE2-CD2 4.17Å; F590-L711 HydrophobicContact CZ-CD2 4.13Å; G594-L711 VanDerWaalsContact CA-CD1 3.48Å; H709-L711 PolarHBondContact O-N 2.95Å |
| 712 | F | 81.7 | Confident | 57 | Low | 1 Ų | 1 | 69.6 Ų | 69.6 | 0% | 0.004 | 38% | 0.383 | C | S | . | . | trans | -131.9 | 97.8 | -171.9 | -52.8 | -73.1 | 0 | 0 | 0 | 110 | F504 T507 C508 Y511 Q563 L598 I614 M615 | F504-F712 HydrophobicContact CD2-CE2 4.36Å; F504-F712 AromaticContact CD2-CZ 3.75Å; F504-F712 HydrophobicContact CD2-CZ 3.75Å; F504-F712 AromaticContact CE2-CZ 3.88Å; F504-F712 HydrophobicContact CE2-CZ 3.88Å; T507-F712 HydrophobicContact CG2-CD1 3.59Å; T507-F712 HydrophobicContact CG2-CD2 3.74Å; T507-F712 HydrophobicContact CG2-CE1 3.56Å; T507-F712 HydrophobicContact CG2-CE2 3.7Å; T507-F712 HydrophobicContact CG2-CG 3.68Å; T507-F712 HydrophobicContact CG2-CZ 3.61Å; C508-F712 HydrophobicContact CB-CE1 4.19Å; Y511-F712 HydrophobicContact CD2-CB 4.4Å; Y511-F712 HydrophobicContact CD2-CD1 4.24Å; Y511-F712 HydrophobicContact CG-CD1 4.3Å; Q563-F712 HydrophobicContact CG-CE1 4.14Å; Q563-F712 VanDerWaalsContact NE2-CD1 3.29Å; L598-F712 HydrophobicContact CD2-CE2 3.81Å; L598-F712 HydrophobicContact CD2-CZ 4.33Å; I614-F712 WeakPolarHBondContact CG2-O 3.37Å; I614-F712 VanDerWaalsContact O-O 3.08Å; M615-F712 HydrophobicContact CE-CB 4.1Å; M615-F712 HydrophobicContact CE-CD2 3.49Å; M615-F712 VanDerWaalsContact CE-CD2 3.49Å; M615-F712 HydrophobicContact CE-CE2 4.22Å; M615-F712 HydrophobicContact CE-CG 4Å | ||
| 713 | L | 70.8 | Confident | 59.3 | Low | 86 Ų | 86 | 63.4 Ų | 63.4 | 45% | 0.45 | 36% | 0.36 | S | S | . | . | trans | -120.8 | 104.4 | 173.1 | -174.8 | 67.4 | 0 | 0 | 0 | 108.5 | Y511 I710 | Y511-L713 VanDerWaalsContact CE2-O 3.31Å; Y511-L713 WeakPolarHBondContact CE2-O 3.36Å; Y511-L713 PolarHBondContact OH-O 3.36Å; I710-L713 HydrophobicContact CG2-CB 3.97Å | ||
| 714 | I | 63.7 | Low | 61.9 | Low | 37 Ų | 37 | 60.1 Ų | 60.1 | 19% | 0.19 | 34% | 0.34 | C | S | . | . | trans | -100.2 | 116.3 | 176 | -62.4 | -178.2 | 0 | 0 | 0 | 107.9 | Y511 F619 Y718 | Y511-I714 HydrophobicContact CD2-CD1 3.76Å; Y511-I714 HydrophobicContact CD2-CG1 3.37Å; Y511-I714 HydrophobicContact CE2-CD1 4.31Å; Y511-I714 HydrophobicContact CE2-CG1 3.41Å; Y511-I714 VanDerWaalsContact CE2-CG1 3.41Å; F619-I714 HydrophobicContact CD2-CD1 3.46Å; F619-I714 VanDerWaalsContact CD2-CD1 3.46Å; F619-I714 HydrophobicContact CE1-CD1 4.33Å; F619-I714 HydrophobicContact CE2-CD1 3.22Å; F619-I714 HydrophobicContact CG-CD1 4.14Å; F619-I714 HydrophobicContact CZ-CD1 3.72Å; I714-Y718 HydrophobicContact CG2-CD2 4.45Å; I714-Y718 HydrophobicContact CG2-CG 4.23Å | ||
| 715 | P | 54.3 | Low | 63.7 | Low | 63 Ų | 63 | 54.2 Ų | 54.2 | 41% | 0.409 | 32% | 0.317 | S | S | . | . | trans | -62.2 | 148.3 | 174.1 | -23.2 | 35 | 0 | 0 | 0 | 111.8 | N717 Y718 | P715-N717 WeakPolarHBondContact CB-OD1 3.46Å; P715-N717 PolarHBondContact O-N 3.46Å; P715-Y718 HydrophobicContact CB-CD2 3.92Å; P715-Y718 HydrophobicContact CB-CE2 3.97Å; P715-Y718 HydrophobicContact CG-CD2 4.12Å; P715-Y718 HydrophobicContact CG-CE2 3.85Å; P715-Y718 WeakPolarHBondContact O-CD2 3.48Å; P715-Y718 PolarHBondContact O-N 3.02Å; P715-Y718 VanDerWaalsContact O-N 3.13Å | ||
| 716 | S | 53 | Low | 65.3 | Low | 134 Ų | 134 | 48.8 Ų | 48.8 | 94% | 0.937 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -10 | -170.1 | 50.7 | 0 | 0 | 0 | 0 | 115.8 | ||
| 717 | N | 51.3 | Low | 66 | Low | 128 Ų | 128 | 53.5 Ų | 53.5 | 68% | 0.684 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -6.6 | 175.4 | 66.6 | -41.2 | 0 | 0 | 0 | 114 | P715 | P715-N717 WeakPolarHBondContact CB-OD1 3.46Å; P715-N717 PolarHBondContact O-N 3.46Å |
| 718 | Y | 62 | Low | 66.3 | Low | 50 Ų | 50 | 52.7 Ų | 52.7 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -89.8 | 119.4 | 175.8 | -70.4 | -99.1 | 0 | 0 | 0 | 110.1 | R515 S518 I714 P715 S720 | R515-Y718 HydrophobicContact CB-CE1 4.15Å; R515-Y718 HydrophobicContact CG-CD1 4.19Å; R515-Y718 HydrophobicContact CG-CE1 3.88Å; S518-Y718 WeakPolarHBondContact OG-CD1 3.4Å; S518-Y718 WeakPolarHBondContact OG-CE1 3.48Å; I714-Y718 HydrophobicContact CG2-CD2 4.45Å; I714-Y718 HydrophobicContact CG2-CG 4.23Å; P715-Y718 HydrophobicContact CB-CD2 3.92Å; P715-Y718 HydrophobicContact CB-CE2 3.97Å; P715-Y718 HydrophobicContact CG-CD2 4.12Å; P715-Y718 HydrophobicContact CG-CE2 3.85Å; P715-Y718 WeakPolarHBondContact O-CD2 3.48Å; P715-Y718 PolarHBondContact O-N 3.02Å; P715-Y718 VanDerWaalsContact O-N 3.13Å; Y718-S720 PolarHBondContact O-N 3.44Å; Y718-S720 VanDerWaalsContact O-N 3.16Å |
| 719 | N | 70.5 | Confident | 66.5 | Low | 57 Ų | 57 | 52.9 Ų | 52.9 | 31% | 0.305 | 30% | 0.302 | S | S | . | . | trans | -73.4 | 108.3 | 174.2 | -173.5 | -4.4 | 0 | 0 | 0 | 110.5 | W721 C722 D730 | N719-W721 PolarHBondContact O-N 2.96Å; N719-W721 VanDerWaalsContact O-N 3.14Å; N719-W721 VanDerWaalsContact OD1-CB 3.3Å; N719-W721 WeakPolarHBondContact OD1-CB 3.19Å; N719-W721 PolarHBondContact OD1-N 3.3Å; N719-C722 WeakPolarHBondContact O-CB 3.48Å; N719-C722 PolarHBondContact O-N 3.1Å; N719-C722 PolarHBondContact O-SG 2.93Å; N719-D730 PolarHBondContact ND2-OD1 3.29Å; N719-D730 PolarHBondContact ND2-OD2 2.71Å | ||
| 720 | S | 77.2 | Confident | 66.1 | Low | 11 Ų | 11 | 53.4 Ų | 53.4 | 8% | 0.077 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -10.9 | 176.6 | 48.2 | 0 | 0 | 0 | 0 | 114.5 | S618 R622 Y718 | S618-S720 WeakPolarHBondContact CB-OG 3.32Å; R622-S720 WeakPolarHBondContact CD-O 3.34Å; R622-S720 PolarHBondContact NH1-O 3.47Å; Y718-S720 PolarHBondContact O-N 3.44Å; Y718-S720 VanDerWaalsContact O-N 3.16Å |
| 721 | W | 81.3 | Confident | 65.3 | Low | 11 Ų | 11 | 54 Ų | 54 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -6.2 | 175.2 | -62 | 125 | 0 | 0 | 0 | 114.3 | F621 R622 N719 G723 V724 L733 C734 W737 | F621-W721 HydrophobicContact CB-CH2 4.22Å; F621-W721 HydrophobicContact CD2-CH2 4.36Å; R622-W721 HydrophobicContact CG-CE3 4.14Å; R622-W721 HydrophobicContact CG-CZ3 3.83Å; N719-W721 PolarHBondContact O-N 2.96Å; N719-W721 VanDerWaalsContact O-N 3.14Å; N719-W721 VanDerWaalsContact OD1-CB 3.3Å; N719-W721 WeakPolarHBondContact OD1-CB 3.19Å; N719-W721 PolarHBondContact OD1-N 3.3Å; W721-G723 PolarHBondContact O-N 3.05Å; W721-V724 HydrophobicContact CE3-CG2 4.29Å; W721-V724 WeakPolarHBondContact O-CB 3.34Å; W721-V724 PolarHBondContact O-N 3.15Å; W721-V724 VanDerWaalsContact O-N 3.09Å; W721-L733 HydrophobicContact CB-CD2 3.6Å; W721-L733 HydrophobicContact CD2-CD2 3.48Å; W721-L733 VanDerWaalsContact CD2-CD2 3.48Å; W721-L733 HydrophobicContact CD2-CG 3.97Å; W721-L733 HydrophobicContact CE3-CD2 3.61Å; W721-L733 HydrophobicContact CE3-CG 3.96Å; W721-L733 HydrophobicContact CG-CD2 3.5Å; W721-L733 VanDerWaalsContact CG-CD2 3.5Å; W721-L733 HydrophobicContact CG-CG 4.39Å; W721-L733 HydrophobicContact CZ3-CD2 4.41Å; W721-L733 HydrophobicContact CZ3-CG 4.3Å; W721-C734 HydrophobicContact CZ2-CB 4.33Å; W721-C734 VanDerWaalsContact CZ2-SG 3.57Å; W721-C734 PolarHBondContact NE1-SG 3.38Å; W721-W737 HydrophobicContact CH2-CB 3.81Å; W721-W737 AromaticContact CH2-CD2 3.82Å; W721-W737 HydrophobicContact CH2-CD2 3.82Å; W721-W737 HydrophobicContact CH2-CE3 4.24Å; W721-W737 AromaticContact CH2-CG 3.65Å; W721-W737 HydrophobicContact CH2-CG 3.65Å; W721-W737 HydrophobicContact CZ3-CB 4.45Å; W721-W737 AromaticContact CZ3-CD2 3.55Å; W721-W737 HydrophobicContact CZ3-CD2 3.55Å; W721-W737 AromaticContact CZ3-CE2 3.67Å; W721-W737 AromaticContact CZ3-CE3 3.96Å; W721-W737 HydrophobicContact CZ3-CE3 3.96Å; W721-W737 AromaticContact CZ3-CG 3.8Å; W721-W737 HydrophobicContact CZ3-CG 3.8Å; W721-W737 HydrophobicContact CZ3-CH2 4.43Å; W721-W737 HydrophobicContact CZ3-CZ2 4.12Å; W721-W737 HydrophobicContact CZ3-CZ3 4.37Å |
| 722 | C | 75.1 | Confident | 64.6 | Low | 36 Ų | 36 | 55.5 Ų | 55.5 | 24% | 0.243 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 127.3 | 175.3 | -72.6 | 0 | 0 | 0 | 0 | 111.5 | L517 R622 N719 | L517-C722 HydrophobicContact CB-CB 3.82Å; L517-C722 VanDerWaalsContact CD1-C 3.48Å; L517-C722 HydrophobicContact CD1-CB 3.67Å; L517-C722 WeakPolarHBondContact CD1-O 3.19Å; L517-C722 HydrophobicContact CG-CB 4.4Å; R622-C722 PolarHBondContact NH1-O 2.97Å; R622-C722 PolarHBondContact NH2-O 3.41Å; N719-C722 WeakPolarHBondContact O-CB 3.48Å; N719-C722 PolarHBondContact O-N 3.1Å; N719-C722 PolarHBondContact O-SG 2.93Å |
| 723 | G | 74.2 | Confident | 64.3 | Low | 13 Ų | 13 | 55.8 Ų | 55.8 | 13% | 0.134 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | 6.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | F449 T450 W721 | F449-G723 WeakPolarHBondContact CB-O 3.46Å; F449-G723 PolarHBondContact N-O 3.48Å; T450-G723 PolarHBondContact N-O 3.43Å; W721-G723 PolarHBondContact O-N 3.05Å |
| 724 | V | 79.7 | Confident | 64.4 | Low | 21 Ų | 21 | 52.3 Ų | 52.3 | 13% | 0.127 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -97.6 | 133.8 | 166 | -177.2 | 0 | 0 | 0 | 0 | 109 | E447 D448 W721 L733 W737 | E447-V724 CarbonylContact O-C 3.46Å; E447-V724 WeakPolarHBondContact O-CA 3.33Å; E447-V724 WeakPolarHBondContact O-CG1 3.48Å; D448-V724 HydrophobicContact CB-CG2 4.41Å; W721-V724 HydrophobicContact CE3-CG2 4.29Å; W721-V724 WeakPolarHBondContact O-CB 3.34Å; W721-V724 PolarHBondContact O-N 3.15Å; W721-V724 VanDerWaalsContact O-N 3.09Å; V724-L733 HydrophobicContact CB-CD2 4.36Å; V724-L733 HydrophobicContact CG1-CD1 3.99Å; V724-L733 HydrophobicContact CG1-CD2 4.21Å; V724-W737 HydrophobicContact CG1-CZ2 3.95Å; V724-W737 HydrophobicContact CG2-CZ2 4.14Å |
| 725 | S | 68.4 | Low | 64.9 | Low | 45 Ų | 45 | 51.3 Ų | 51.3 | 32% | 0.315 | 30% | 0.3 | S | S | . | . | trans | -78.8 | 122.8 | 170.7 | 60.9 | 0 | 0 | 0 | 0 | 110.4 | E447 | E447-S725 WeakPolarHBondContact CA-OG 3.42Å; E447-S725 PolarHBondContact O-N 2.87Å; E447-S725 PolarHBondContact O-OG 2.9Å | ||
| 726 | N | 61.5 | Low | 66.1 | Low | 75 Ų | 75 | 51.1 Ų | 51.1 | 40% | 0.401 | 29% | 0.294 | S | S | . | . | trans | -155.9 | 146.7 | 160.4 | -153.2 | -19.5 | 0 | 0 | 0 | 110.3 | S728 L733 | N726-S728 VanDerWaalsContact CG-OG 3.3Å; N726-S728 PolarHBondContact ND2-OG 2.78Å; N726-S728 PolarHBondContact OD1-N 3.32Å; N726-S728 PolarHBondContact OD1-OG 2.93Å; N726-L733 HydrophobicContact CB-CD1 3.97Å; N726-L733 VanDerWaalsContact ND2-CD1 3.34Å; N726-L733 WeakPolarHBondContact ND2-CD1 3.44Å | ||
| 727 | D | 50.3 | Low | 67.6 | Low | 154 Ų | 154 | 44.9 Ų | 44.9 | 82% | 0.824 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -83.2 | -0 | 171.3 | -64.3 | -35.7 | 0 | 0 | 0 | 111.9 | ||
| 728 | S | 47.6 | Very low | 69 | Low | 32 Ų | 32 | 38.8 Ų | 38.8 | 22% | 0.224 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -112.9 | 153.3 | -176.1 | 80.9 | 0 | 0 | 0 | 0 | 113.3 | N726 S732 S1031 | N726-S728 VanDerWaalsContact CG-OG 3.3Å; N726-S728 PolarHBondContact ND2-OG 2.78Å; N726-S728 PolarHBondContact OD1-N 3.32Å; N726-S728 PolarHBondContact OD1-OG 2.93Å; S728-S732 PolarHBondContact OG-OG 3.26Å; S728-S1031 WeakPolarHBondContact CB-OG 3.45Å |
| 729 | N | 55 | Low | 69.9 | Low | 54 Ų | 54 | 38.6 Ų | 38.6 | 29% | 0.289 | 22% | 0.217 | S | C | . | . | trans | -73.3 | 159.8 | -169.9 | -62.2 | -83.8 | 0 | 0 | 0 | 113.1 | I731 S732 L733 I1028 S1031 C1032 N1035 | N729-I731 PolarHBondContact O-N 2.82Å; N729-S732 WeakPolarHBondContact O-CA 3.32Å; N729-S732 WeakPolarHBondContact O-CB 3.39Å; N729-S732 PolarHBondContact O-N 2.89Å; N729-L733 PolarHBondContact O-N 3.44Å; N729-I1028 PolarHBondContact ND2-O 3.07Å; N729-S1031 PolarHBondContact N-OG 2.86Å; N729-S1031 WeakPolarHBondContact ND2-CB 3.41Å; N729-S1031 PolarHBondContact ND2-OG 3.16Å; N729-C1032 PolarHBondContact ND2-N 2.86Å; N729-C1032 PolarHBondContact ND2-SG 3.38Å; N729-C1032 PolarHBondContact OD1-SG 3.46Å; N729-C1032 VanDerWaalsContact OD1-SG 3.41Å; N729-N1035 WeakPolarHBondContact CB-ND2 3.34Å; N729-N1035 PolarHBondContact O-ND2 3.01Å | ||
| 730 | D | 57.2 | Low | 70.6 | Confident | 82 Ų | 82 | 38.9 Ų | 38.9 | 44% | 0.439 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -46.1 | -43.3 | -168 | -80.3 | -40.8 | 0 | 0 | 0 | 117.5 | N719 S732 L733 C734 | N719-D730 PolarHBondContact ND2-OD1 3.29Å; N719-D730 PolarHBondContact ND2-OD2 2.71Å; D730-S732 VanDerWaalsContact C-N 3.31Å; D730-L733 WeakPolarHBondContact O-CB 3.33Å; D730-C734 PolarHBondContact O-N 3.22Å |
| 731 | I | 55 | Low | 71 | Confident | 43 Ų | 43 | 38.3 Ų | 38.3 | 22% | 0.221 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -80.9 | -16.4 | -178 | -55.4 | 119.7 | 0 | 0 | 0 | 111.8 | N729 C734 I735 N1035 S1038 V1039 | N729-I731 PolarHBondContact O-N 2.82Å; I731-C734 WeakPolarHBondContact O-CB 3.38Å; I731-C734 PolarHBondContact O-N 3.03Å; I731-I735 HydrophobicContact CG2-CD1 4.39Å; I731-I735 VanDerWaalsContact O-CG1 3.29Å; I731-I735 WeakPolarHBondContact O-CG1 3.4Å; I731-I735 PolarHBondContact O-N 2.66Å; I731-N1035 HydrophobicContact CB-CB 3.62Å; I731-N1035 VanDerWaalsContact CB-CG 3.5Å; I731-N1035 HydrophobicContact CD1-CB 3.77Å; I731-N1035 HydrophobicContact CG1-CB 4.32Å; I731-N1035 HydrophobicContact CG2-CB 4.31Å; I731-N1035 PolarHBondContact N-ND2 2.78Å; I731-S1038 WeakPolarHBondContact CG2-OG 3.48Å; I731-V1039 HydrophobicContact CB-CG2 4.45Å; I731-V1039 HydrophobicContact CD1-CG2 3.45Å; I731-V1039 VanDerWaalsContact CD1-CG2 3.45Å; I731-V1039 HydrophobicContact CG1-CG2 3.56Å; I731-V1039 HydrophobicContact CG2-CG2 4.18Å |
| 732 | S | 67.1 | Low | 71.1 | Confident | 32 Ų | 32 | 37.9 Ų | 37.9 | 22% | 0.224 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -75.9 | -40.6 | 175.4 | -175.8 | 0 | 0 | 0 | 0 | 107.4 | S728 N729 D730 I735 E736 S1031 N1035 | S728-S732 PolarHBondContact OG-OG 3.26Å; N729-S732 WeakPolarHBondContact O-CA 3.32Å; N729-S732 WeakPolarHBondContact O-CB 3.39Å; N729-S732 PolarHBondContact O-N 2.89Å; D730-S732 VanDerWaalsContact C-N 3.31Å; S732-I735 PolarHBondContact O-N 3.17Å; S732-E736 WeakPolarHBondContact O-CB 3.42Å; S732-E736 PolarHBondContact O-N 2.8Å; S732-S1031 VanDerWaalsContact CB-OG 3.25Å; S732-S1031 WeakPolarHBondContact CB-OG 3.36Å; S732-S1031 PolarHBondContact OG-OG 2.88Å; S732-N1035 WeakPolarHBondContact CA-OD1 3.27Å; S732-N1035 WeakPolarHBondContact CB-OD1 3.45Å; S732-N1035 PolarHBondContact N-ND2 3.32Å; S732-N1035 PolarHBondContact N-OD1 3Å |
| 733 | L | 74.9 | Confident | 71.5 | Confident | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.1 | -44.1 | 166.4 | -167.6 | 67.5 | 0 | 0 | 0 | 111.7 | W721 V724 N726 N729 D730 I735 E736 W737 | W721-L733 HydrophobicContact CB-CD2 3.6Å; W721-L733 HydrophobicContact CD2-CD2 3.48Å; W721-L733 VanDerWaalsContact CD2-CD2 3.48Å; W721-L733 HydrophobicContact CD2-CG 3.97Å; W721-L733 HydrophobicContact CE3-CD2 3.61Å; W721-L733 HydrophobicContact CE3-CG 3.96Å; W721-L733 HydrophobicContact CG-CD2 3.5Å; W721-L733 VanDerWaalsContact CG-CD2 3.5Å; W721-L733 HydrophobicContact CG-CG 4.39Å; W721-L733 HydrophobicContact CZ3-CD2 4.41Å; W721-L733 HydrophobicContact CZ3-CG 4.3Å; V724-L733 HydrophobicContact CB-CD2 4.36Å; V724-L733 HydrophobicContact CG1-CD1 3.99Å; V724-L733 HydrophobicContact CG1-CD2 4.21Å; N726-L733 HydrophobicContact CB-CD1 3.97Å; N726-L733 VanDerWaalsContact ND2-CD1 3.34Å; N726-L733 WeakPolarHBondContact ND2-CD1 3.44Å; N729-L733 PolarHBondContact O-N 3.44Å; D730-L733 WeakPolarHBondContact O-CB 3.33Å; L733-I735 PolarHBondContact O-N 3.39Å; L733-E736 PolarHBondContact O-N 3.22Å; L733-W737 VanDerWaalsContact CD1-NE1 3.29Å; L733-W737 WeakPolarHBondContact O-CB 3.46Å; L733-W737 PolarHBondContact O-N 2.87Å |
| 734 | C | 73.9 | Confident | 72.1 | Confident | 13 Ų | 13 | 41 Ų | 41 | 9% | 0.088 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.9 | -47.6 | 172.1 | -71.2 | 0 | 0 | 0 | 0 | 112.5 | W721 D730 I731 W737 C738 | W721-C734 HydrophobicContact CZ2-CB 4.33Å; W721-C734 VanDerWaalsContact CZ2-SG 3.57Å; W721-C734 PolarHBondContact NE1-SG 3.38Å; D730-C734 PolarHBondContact O-N 3.22Å; I731-C734 WeakPolarHBondContact O-CB 3.38Å; I731-C734 PolarHBondContact O-N 3.03Å; C734-W737 PolarHBondContact O-N 3.03Å; C734-C738 PolarHBondContact O-N 3.34Å; C734-C738 PolarHBondContact O-SG 3.35Å |
| 735 | I | 73.3 | Confident | 72.3 | Confident | 15 Ų | 15 | 40 Ų | 40 | 8% | 0.077 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.2 | -43.8 | -179.9 | -68.4 | 161.8 | 0 | 0 | 0 | 110.8 | I731 S732 L733 W737 C738 K739 T1034 | I731-I735 HydrophobicContact CG2-CD1 4.39Å; I731-I735 VanDerWaalsContact O-CG1 3.29Å; I731-I735 WeakPolarHBondContact O-CG1 3.4Å; I731-I735 PolarHBondContact O-N 2.66Å; S732-I735 PolarHBondContact O-N 3.17Å; L733-I735 PolarHBondContact O-N 3.39Å; I735-W737 VanDerWaalsContact C-N 3.35Å; I735-W737 PolarHBondContact O-N 3.42Å; I735-C738 WeakPolarHBondContact O-CB 3.47Å; I735-C738 PolarHBondContact O-N 3.45Å; I735-K739 HydrophobicContact CG2-CD 4.15Å; I735-K739 WeakPolarHBondContact O-CG 3.41Å; I735-K739 PolarHBondContact O-N 3.06Å; I735-T1034 HydrophobicContact CD1-CG2 4.31Å |
| 736 | E | 79 | Confident | 73 | Confident | 60 Ų | 60 | 37.9 Ų | 37.9 | 28% | 0.28 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 177.3 | 179.7 | 55.2 | -155 | 0 | 0 | 111.8 | S732 L733 K739 R740 | S732-E736 WeakPolarHBondContact O-CB 3.42Å; S732-E736 PolarHBondContact O-N 2.8Å; L733-E736 PolarHBondContact O-N 3.22Å; E736-K739 WeakPolarHBondContact O-CB 3.49Å; E736-K739 PolarHBondContact O-N 2.63Å; E736-R740 WeakPolarHBondContact O-CB 3.33Å; E736-R740 WeakPolarHBondContact O-CD 3.38Å; E736-R740 WeakPolarHBondContact O-CG 3.42Å; E736-R740 PolarHBondContact O-N 3.2Å; E736-R740 IonicContact OE1-CZ 3.6Å; E736-R740 IonicContact OE1-NE 2.88Å; E736-R740 PolarHBondContact OE1-NE 3.01Å; E736-R740 IonicContact OE1-NH2 2.6Å; E736-R740 PolarHBondContact OE1-NH2 3.31Å |
| 737 | W | 84.2 | Confident | 74 | Confident | 3 Ų | 3 | 37 Ų | 37 | 1% | 0.011 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.8 | -30 | 174.7 | -76.5 | 61.6 | 0 | 0 | 0 | 112.8 | D448 F621 R622 Q625 W650 W721 V724 L733 C734 I735 G741 | D448-W737 HydrophobicContact CB-CH2 4.49Å; F621-W737 HydrophobicContact CB-CE3 3.96Å; F621-W737 WeakPolarHBondContact O-CZ3 3.33Å; R622-W737 HydrophobicContact CB-CZ3 4.41Å; R622-W737 HydrophobicContact CG-CH2 3.91Å; R622-W737 HydrophobicContact CG-CZ3 3.9Å; Q625-W737 HydrophobicContact CB-CE3 4.25Å; Q625-W737 HydrophobicContact CB-CH2 3.93Å; Q625-W737 HydrophobicContact CB-CZ3 3.37Å; Q625-W737 HydrophobicContact CG-CH2 3.86Å; Q625-W737 HydrophobicContact CG-CZ3 3.76Å; W650-W737 HydrophobicContact CH2-CE3 4.06Å; W650-W737 WeakPolarHBondContact CZ3-O 3.33Å; W721-W737 HydrophobicContact CH2-CB 3.81Å; W721-W737 AromaticContact CH2-CD2 3.82Å; W721-W737 HydrophobicContact CH2-CD2 3.82Å; W721-W737 HydrophobicContact CH2-CE3 4.24Å; W721-W737 AromaticContact CH2-CG 3.65Å; W721-W737 HydrophobicContact CH2-CG 3.65Å; W721-W737 HydrophobicContact CZ3-CB 4.45Å; W721-W737 AromaticContact CZ3-CD2 3.55Å; W721-W737 HydrophobicContact CZ3-CD2 3.55Å; W721-W737 AromaticContact CZ3-CE2 3.67Å; W721-W737 AromaticContact CZ3-CE3 3.96Å; W721-W737 HydrophobicContact CZ3-CE3 3.96Å; W721-W737 AromaticContact CZ3-CG 3.8Å; W721-W737 HydrophobicContact CZ3-CG 3.8Å; W721-W737 HydrophobicContact CZ3-CH2 4.43Å; W721-W737 HydrophobicContact CZ3-CZ2 4.12Å; W721-W737 HydrophobicContact CZ3-CZ3 4.37Å; V724-W737 HydrophobicContact CG1-CZ2 3.95Å; V724-W737 HydrophobicContact CG2-CZ2 4.14Å; L733-W737 VanDerWaalsContact CD1-NE1 3.29Å; L733-W737 WeakPolarHBondContact O-CB 3.46Å; L733-W737 PolarHBondContact O-N 2.87Å; C734-W737 PolarHBondContact O-N 3.03Å; I735-W737 VanDerWaalsContact C-N 3.35Å; I735-W737 PolarHBondContact O-N 3.42Å; W737-G741 PolarHBondContact O-N 2.98Å |
| 738 | C | 81.5 | Confident | 75.4 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64 | -47.4 | 167.7 | -66.7 | 0 | 0 | 0 | 0 | 111.4 | F621 L654 C734 I735 R740 G741 W742 I780 | F621-C738 WeakPolarHBondContact CZ-SG 3.24Å; L654-C738 HydrophobicContact CD2-CB 4.03Å; C734-C738 PolarHBondContact O-N 3.34Å; C734-C738 PolarHBondContact O-SG 3.35Å; I735-C738 WeakPolarHBondContact O-CB 3.47Å; I735-C738 PolarHBondContact O-N 3.45Å; C738-R740 VanDerWaalsContact C-N 3.33Å; C738-R740 PolarHBondContact O-N 2.82Å; C738-G741 PolarHBondContact O-N 3.1Å; C738-W742 WeakPolarHBondContact O-CB 3.25Å; C738-W742 PolarHBondContact O-N 3.36Å; C738-I780 HydrophobicContact CB-CG2 3.49Å; C738-I780 VanDerWaalsContact CB-CG2 3.49Å |
| 739 | K | 81.2 | Confident | 76.7 | Confident | 45 Ų | 45 | 28.5 Ų | 28.5 | 20% | 0.196 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55.1 | -47.5 | 175.5 | -77.4 | 166.9 | 169.6 | -145.6 | 0 | 111.5 | I735 E736 W742 L743 S779 I780 D782 | I735-K739 HydrophobicContact CG2-CD 4.15Å; I735-K739 WeakPolarHBondContact O-CG 3.41Å; I735-K739 PolarHBondContact O-N 3.06Å; E736-K739 WeakPolarHBondContact O-CB 3.49Å; E736-K739 PolarHBondContact O-N 2.63Å; K739-W742 WeakPolarHBondContact O-CB 3.4Å; K739-W742 PolarHBondContact O-N 2.88Å; K739-L743 WeakPolarHBondContact O-CB 3.42Å; K739-L743 PolarHBondContact O-N 3.25Å; K739-S779 WeakPolarHBondContact CE-O 3.32Å; K739-I780 WeakPolarHBondContact CG-O 3.1Å; K739-D782 WeakPolarHBondContact CD-OD2 3.37Å; K739-D782 WeakPolarHBondContact CE-OD1 3.41Å; K739-D782 IonicContact NZ-OD1 3.91Å; K739-D782 PolarHBondContact NZ-OD1 2.68Å; K739-D782 IonicContact NZ-OD2 2.78Å; K739-D782 PolarHBondContact NZ-OD2 3.48Å |
| 740 | R | 84.1 | Confident | 77.8 | Confident | 63 Ų | 63 | 26.4 Ų | 26.4 | 24% | 0.238 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.4 | -49.6 | 176.7 | -71.8 | 163.9 | 179 | -145.6 | -5.4 | 112.5 | E447 E736 C738 W742 L743 W744 | E447-R740 VanDerWaalsContact CD-NH2 3.3Å; E447-R740 IonicContact OE1-CZ 3.64Å; E447-R740 IonicContact OE1-NH1 3.03Å; E447-R740 IonicContact OE1-NH2 3.7Å; E447-R740 PolarHBondContact OE1-NH2 2.91Å; E447-R740 IonicContact OE2-CZ 2.66Å; E447-R740 IonicContact OE2-NH1 3.06Å; E447-R740 PolarHBondContact OE2-NH1 3.47Å; E447-R740 IonicContact OE2-NH2 3.65Å; E447-R740 PolarHBondContact OE2-NH2 2.54Å; E736-R740 WeakPolarHBondContact O-CB 3.33Å; E736-R740 WeakPolarHBondContact O-CD 3.38Å; E736-R740 WeakPolarHBondContact O-CG 3.42Å; E736-R740 PolarHBondContact O-N 3.2Å; E736-R740 IonicContact OE1-CZ 3.6Å; E736-R740 IonicContact OE1-NE 2.88Å; E736-R740 PolarHBondContact OE1-NE 3.01Å; E736-R740 IonicContact OE1-NH2 2.6Å; E736-R740 PolarHBondContact OE1-NH2 3.31Å; C738-R740 VanDerWaalsContact C-N 3.33Å; C738-R740 PolarHBondContact O-N 2.82Å; R740-W742 VanDerWaalsContact C-N 3.25Å; R740-W742 PolarHBondContact O-N 3.48Å; R740-L743 PolarHBondContact O-N 3.44Å; R740-W744 WeakPolarHBondContact O-CB 3.44Å; R740-W744 PolarHBondContact O-N 3Å |
| 741 | G | 86.3 | Confident | 78.7 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.9 | -40.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | W650 W737 C738 C745 | W650-G741 VanDerWaalsContact CZ3-CA 3.45Å; W737-G741 PolarHBondContact O-N 2.98Å; C738-G741 PolarHBondContact O-N 3.1Å; G741-C745 WeakPolarHBondContact O-CB 3.46Å; G741-C745 PolarHBondContact O-N 3.5Å; G741-C745 PolarHBondContact O-SG 3.35Å |
| 742 | W | 84 | Confident | 79.5 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.2 | -52.3 | 176.4 | -156.9 | -45.7 | 0 | 0 | 0 | 112.9 | I658 C738 K739 R740 W744 C745 L746 L770 L773 S774 I780 C781 | I658-W742 HydrophobicContact CD1-CZ3 4.05Å; C738-W742 WeakPolarHBondContact O-CB 3.25Å; C738-W742 PolarHBondContact O-N 3.36Å; K739-W742 WeakPolarHBondContact O-CB 3.4Å; K739-W742 PolarHBondContact O-N 2.88Å; R740-W742 VanDerWaalsContact C-N 3.25Å; R740-W742 PolarHBondContact O-N 3.48Å; W742-W744 PolarHBondContact O-N 3.38Å; W742-C745 PolarHBondContact O-N 2.95Å; W742-L746 VanDerWaalsContact CD1-CD1 3.45Å; W742-L746 WeakPolarHBondContact O-CG 3.45Å; W742-L746 PolarHBondContact O-N 2.98Å; W742-L770 VanDerWaalsContact CZ2-O 3.26Å; W742-L770 WeakPolarHBondContact CZ2-O 3.17Å; W742-L773 HydrophobicContact CH2-CB 3.71Å; W742-L773 WeakPolarHBondContact CH2-O 3.38Å; W742-L773 HydrophobicContact CZ2-CB 4.11Å; W742-L773 HydrophobicContact CZ3-CB 4.33Å; W742-S774 VanDerWaalsContact CH2-CA 3.46Å; W742-S774 VanDerWaalsContact CH2-N 3.29Å; W742-I780 HydrophobicContact CE3-CB 4.33Å; W742-I780 HydrophobicContact CE3-CG2 3.56Å; W742-I780 HydrophobicContact CZ3-CB 3.98Å; W742-I780 HydrophobicContact CZ3-CG2 3.65Å; W742-C781 WeakPolarHBondContact CH2-SG 3.46Å; W742-C781 WeakPolarHBondContact CZ2-SG 3.32Å |
| 743 | L | 84.3 | Confident | 79.6 | Confident | 66 Ų | 66 | 27 Ų | 27 | 35% | 0.346 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -61.7 | -38.6 | 179.4 | -177 | 62.6 | 0 | 0 | 0 | 110.6 | K739 R740 L746 N747 | K739-L743 WeakPolarHBondContact O-CB 3.42Å; K739-L743 PolarHBondContact O-N 3.25Å; R740-L743 PolarHBondContact O-N 3.44Å; L743-L746 PolarHBondContact O-N 3.24Å; L743-N747 WeakPolarHBondContact O-CB 3.42Å; L743-N747 PolarHBondContact O-N 3.39Å; L743-N747 PolarHBondContact O-ND2 3.22Å |
| 744 | W | 86.2 | Confident | 79.3 | Confident | 49 Ų | 49 | 32.3 Ų | 32.3 | 19% | 0.186 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.5 | -49.3 | 174.4 | -169.6 | 89.4 | 0 | 0 | 0 | 111.6 | T628 M631 E643 P646 L647 W650 R740 W742 L746 N747 A748 | T628-W744 VanDerWaalsContact CG2-NE1 3.32Å; M631-W744 HydrophobicContact CE-CH2 4.1Å; M631-W744 HydrophobicContact CE-CZ2 3.55Å; E643-W744 HydrophobicContact CG-CH2 4.39Å; P646-W744 HydrophobicContact CB-CH2 4.15Å; P646-W744 HydrophobicContact CB-CZ2 4.34Å; P646-W744 HydrophobicContact CG-CH2 3.96Å; P646-W744 HydrophobicContact CG-CZ2 4.11Å; L647-W744 HydrophobicContact CB-CH2 4.06Å; L647-W744 HydrophobicContact CB-CZ3 3.71Å; L647-W744 HydrophobicContact CD1-CZ3 3.89Å; L647-W744 HydrophobicContact CG-CZ3 4.4Å; W650-W744 AromaticContact CD1-CD2 3.81Å; W650-W744 AromaticContact CD1-CE3 3.41Å; W650-W744 VanDerWaalsContact CD1-CE3 3.41Å; W650-W744 AromaticContact CD1-CZ3 3.93Å; W650-W744 HydrophobicContact CG-CE3 4.2Å; W650-W744 AromaticContact NE1-CD2 3.91Å; R740-W744 WeakPolarHBondContact O-CB 3.44Å; R740-W744 PolarHBondContact O-N 3Å; W742-W744 PolarHBondContact O-N 3.38Å; W744-L746 VanDerWaalsContact C-N 3.34Å; W744-L746 PolarHBondContact O-N 2.88Å; W744-N747 PolarHBondContact O-N 3.19Å; W744-A748 HydrophobicContact CH2-CB 4.16Å; W744-A748 HydrophobicContact CZ3-CB 4.09Å; W744-A748 WeakPolarHBondContact O-CB 3.27Å; W744-A748 PolarHBondContact O-N 3.32Å |
| 745 | C | 83.9 | Confident | 79 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.8 | -41.2 | 175.1 | -69.8 | 0 | 0 | 0 | 0 | 112.5 | L647 G741 W742 I749 L770 | L647-C745 HydrophobicContact CD1-CB 4.23Å; G741-C745 WeakPolarHBondContact O-CB 3.46Å; G741-C745 PolarHBondContact O-N 3.5Å; G741-C745 PolarHBondContact O-SG 3.35Å; W742-C745 PolarHBondContact O-N 2.95Å; C745-I749 VanDerWaalsContact O-CD1 3.25Å; C745-I749 WeakPolarHBondContact O-CD1 3.29Å; C745-I749 WeakPolarHBondContact O-CG1 3.36Å; C745-I749 PolarHBondContact O-N 2.81Å; C745-I749 VanDerWaalsContact O-N 3.08Å; C745-L770 HydrophobicContact CB-CD1 4.05Å; C745-L770 HydrophobicContact CB-CD2 4.35Å |
| 746 | L | 83.6 | Confident | 78.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.7 | -36.6 | 177.2 | -70.7 | 172.9 | 0 | 0 | 0 | 112.7 | W742 L743 W744 E750 L770 A785 R788 L789 I792 | W742-L746 VanDerWaalsContact CD1-CD1 3.45Å; W742-L746 WeakPolarHBondContact O-CG 3.45Å; W742-L746 PolarHBondContact O-N 2.98Å; L743-L746 PolarHBondContact O-N 3.24Å; W744-L746 VanDerWaalsContact C-N 3.34Å; W744-L746 PolarHBondContact O-N 2.88Å; L746-E750 WeakPolarHBondContact O-CB 3.49Å; L746-E750 PolarHBondContact O-N 2.93Å; L746-L770 HydrophobicContact CD2-CD1 3.97Å; L746-L770 HydrophobicContact CG-CD1 4.43Å; L746-A785 HydrophobicContact CD1-CB 4Å; L746-A785 WeakPolarHBondContact CD1-O 3.46Å; L746-R788 HydrophobicContact CB-CB 4.43Å; L746-R788 HydrophobicContact CB-CG 4.43Å; L746-R788 HydrophobicContact CD1-CB 4.28Å; L746-L789 HydrophobicContact CD1-CB 4.23Å; L746-L789 HydrophobicContact CD2-CB 4.11Å; L746-L789 HydrophobicContact CD2-CD1 3.99Å; L746-I792 HydrophobicContact CB-CD1 4.4Å; L746-I792 HydrophobicContact CD2-CD1 3.95Å |
| 747 | N | 82.5 | Confident | 77.2 | Confident | 56 Ų | 56 | 42.3 Ų | 42.3 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68 | -47.1 | 176.2 | -72.2 | -22.4 | 0 | 0 | 0 | 111.2 | L743 W744 I749 E750 D751 | L743-N747 WeakPolarHBondContact O-CB 3.42Å; L743-N747 PolarHBondContact O-N 3.39Å; L743-N747 PolarHBondContact O-ND2 3.22Å; W744-N747 PolarHBondContact O-N 3.19Å; N747-I749 VanDerWaalsContact C-N 3.35Å; N747-I749 PolarHBondContact O-N 2.89Å; N747-E750 PolarHBondContact O-N 3.08Å; N747-E750 VanDerWaalsContact O-N 3.09Å; N747-D751 PolarHBondContact O-N 3.05Å |
| 748 | A | 77.9 | Confident | 75.9 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53.8 | -50.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E643 W744 E750 D751 H752 | E643-A748 WeakPolarHBondContact OE1-CB 3.29Å; W744-A748 HydrophobicContact CH2-CB 4.16Å; W744-A748 HydrophobicContact CZ3-CB 4.09Å; W744-A748 WeakPolarHBondContact O-CB 3.27Å; W744-A748 PolarHBondContact O-N 3.32Å; A748-E750 PolarHBondContact O-N 3.43Å; A748-D751 PolarHBondContact O-N 3.4Å; A748-H752 PolarHBondContact O-CD2 3.38Å; A748-H752 PolarHBondContact O-N 2.98Å |
| 749 | I | 76.7 | Confident | 74.8 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.7 | -48 | 174.7 | -65.6 | 161.1 | 0 | 0 | 0 | 111.1 | C745 N747 D751 H752 F753 L766 V767 L770 I792 | C745-I749 VanDerWaalsContact O-CD1 3.25Å; C745-I749 WeakPolarHBondContact O-CD1 3.29Å; C745-I749 WeakPolarHBondContact O-CG1 3.36Å; C745-I749 PolarHBondContact O-N 2.81Å; C745-I749 VanDerWaalsContact O-N 3.08Å; N747-I749 VanDerWaalsContact C-N 3.35Å; N747-I749 PolarHBondContact O-N 2.89Å; I749-D751 VanDerWaalsContact C-N 3.35Å; I749-D751 PolarHBondContact O-N 3.49Å; I749-H752 WeakPolarHBondContact O-CB 3.37Å; I749-H752 PolarHBondContact O-N 2.95Å; I749-F753 HydrophobicContact CG2-CD2 3.89Å; I749-F753 HydrophobicContact CG2-CE2 3.6Å; I749-F753 VanDerWaalsContact O-CD2 3.27Å; I749-F753 WeakPolarHBondContact O-CD2 3.27Å; I749-F753 PolarHBondContact O-N 3.38Å; I749-F753 VanDerWaalsContact O-N 3.15Å; I749-L766 HydrophobicContact CD1-CD2 3.49Å; I749-L766 VanDerWaalsContact CD1-CD2 3.49Å; I749-L766 HydrophobicContact CG1-CD2 4.09Å; I749-V767 HydrophobicContact CD1-CG2 4.06Å; I749-V767 HydrophobicContact CG2-CG2 3.91Å; I749-L770 HydrophobicContact CD1-CD1 3.48Å; I749-L770 VanDerWaalsContact CD1-CD1 3.48Å; I749-I792 HydrophobicContact CG2-CD1 4.21Å; I749-I792 HydrophobicContact CG2-CG2 4.24Å |
| 750 | E | 77.2 | Confident | 73.8 | Confident | 9 Ų | 9 | 52.7 Ų | 52.7 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.5 | -32.6 | -177.2 | -159.1 | -179.1 | 121.9 | 0 | 0 | 113.1 | L746 N747 A748 H752 F753 Q754 R788 I792 | L746-E750 WeakPolarHBondContact O-CB 3.49Å; L746-E750 PolarHBondContact O-N 2.93Å; N747-E750 PolarHBondContact O-N 3.08Å; N747-E750 VanDerWaalsContact O-N 3.09Å; A748-E750 PolarHBondContact O-N 3.43Å; E750-H752 PolarHBondContact O-N 3.1Å; E750-F753 CarbonylContact O-C 3.47Å; E750-F753 WeakPolarHBondContact O-CA 3.47Å; E750-F753 WeakPolarHBondContact O-CB 3.49Å; E750-F753 PolarHBondContact O-N 3.22Å; E750-Q754 HydrophobicContact CG-CG 4.44Å; E750-Q754 WeakPolarHBondContact O-CG 3.13Å; E750-Q754 PolarHBondContact O-N 2.97Å; E750-Q754 PolarHBondContact OE1-NE2 3.01Å; E750-R788 IonicContact OE1-CZ 2.82Å; E750-R788 IonicContact OE1-NH1 3.88Å; E750-R788 PolarHBondContact OE1-NH1 3.2Å; E750-R788 IonicContact OE1-NH2 3.28Å; E750-R788 PolarHBondContact OE1-NH2 3.37Å; E750-R788 IonicContact OE2-CZ 3.04Å; E750-R788 IonicContact OE2-NE 2.81Å; E750-R788 PolarHBondContact OE2-NE 3.01Å; E750-R788 IonicContact OE2-NH1 2.67Å; E750-R788 PolarHBondContact OE2-NH1 3.36Å; E750-R788 IonicContact OE2-NH2 3.47Å; E750-R788 PolarHBondContact OE2-NH2 2.96Å; E750-I792 HydrophobicContact CB-CD1 4.12Å; E750-I792 HydrophobicContact CB-CG1 4.16Å; E750-I792 HydrophobicContact CG-CG1 4.18Å |
| 751 | D | 75.9 | Confident | 72.8 | Confident | 83 Ų | 83 | 55.1 Ų | 55.1 | 44% | 0.444 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.4 | -31.7 | 174.1 | -68.5 | -16 | 0 | 0 | 0 | 110.7 | N747 A748 I749 Q754 T755 | N747-D751 PolarHBondContact O-N 3.05Å; A748-D751 PolarHBondContact O-N 3.4Å; I749-D751 VanDerWaalsContact C-N 3.35Å; I749-D751 PolarHBondContact O-N 3.49Å; D751-Q754 PolarHBondContact O-N 2.96Å; D751-T755 WeakPolarHBondContact O-CB 3.41Å; D751-T755 VanDerWaalsContact O-CG2 3.31Å; D751-T755 WeakPolarHBondContact O-CG2 3.23Å; D751-T755 PolarHBondContact O-N 3.28Å; D751-T755 PolarHBondContact O-OG1 3.1Å |
| 752 | H | 72.6 | Confident | 71.5 | Confident | 51 Ų | 51 | 58.6 Ų | 58.6 | 24% | 0.236 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.3 | -36.1 | 169.3 | -59.7 | -178.2 | 0 | 0 | 0 | 112.2 | E643 A748 I749 E750 T755 | E643-H752 IonicContact OE1-CD2 3.85Å; E643-H752 IonicContact OE1-CE1 3.75Å; E643-H752 IonicContact OE1-NE2 2.68Å; E643-H752 PolarHBondContact OE1-NE2 2.77Å; E643-H752 IonicContact OE2-CD2 3.48Å; E643-H752 IonicContact OE2-CE1 3.13Å; E643-H752 IonicContact OE2-NE2 3.65Å; E643-H752 PolarHBondContact OE2-NE2 3.15Å; A748-H752 PolarHBondContact O-CD2 3.38Å; A748-H752 PolarHBondContact O-N 2.98Å; I749-H752 WeakPolarHBondContact O-CB 3.37Å; I749-H752 PolarHBondContact O-N 2.95Å; E750-H752 PolarHBondContact O-N 3.1Å; H752-T755 WeakPolarHBondContact CA-OG1 3.18Å; H752-T755 PolarHBondContact O-OG1 2.9Å |
| 753 | F | 68.1 | Low | 70.6 | Confident | 36 Ų | 36 | 59.6 Ų | 59.6 | 16% | 0.158 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 171.3 | -81.8 | -90 | 0 | 0 | 0 | 112.8 | I749 E750 V759 I792 Q795 L796 | I749-F753 HydrophobicContact CG2-CD2 3.89Å; I749-F753 HydrophobicContact CG2-CE2 3.6Å; I749-F753 VanDerWaalsContact O-CD2 3.27Å; I749-F753 WeakPolarHBondContact O-CD2 3.27Å; I749-F753 PolarHBondContact O-N 3.38Å; I749-F753 VanDerWaalsContact O-N 3.15Å; E750-F753 CarbonylContact O-C 3.47Å; E750-F753 WeakPolarHBondContact O-CA 3.47Å; E750-F753 WeakPolarHBondContact O-CB 3.49Å; E750-F753 PolarHBondContact O-N 3.22Å; F753-V759 HydrophobicContact CD1-CG2 3.82Å; F753-V759 HydrophobicContact CE1-CB 4.37Å; F753-V759 HydrophobicContact CE1-CG1 4.15Å; F753-V759 HydrophobicContact CE1-CG2 3.28Å; F753-V759 HydrophobicContact CE2-CG1 4.25Å; F753-V759 HydrophobicContact CZ-CB 4.33Å; F753-V759 HydrophobicContact CZ-CG1 3.63Å; F753-V759 HydrophobicContact CZ-CG2 3.68Å; F753-I792 HydrophobicContact CD2-CG2 4.26Å; F753-I792 HydrophobicContact CE2-CG2 3.6Å; F753-I792 HydrophobicContact CZ-CG2 3.96Å; F753-Q795 HydrophobicContact CD1-CB 4.07Å; F753-Q795 HydrophobicContact CE1-CB 4.15Å; F753-L796 HydrophobicContact CE1-CD2 4.13Å; F753-L796 HydrophobicContact CE1-CG 4.04Å; F753-L796 HydrophobicContact CZ-CD1 4.23Å; F753-L796 HydrophobicContact CZ-CD2 3.74Å; F753-L796 HydrophobicContact CZ-CG 3.64Å |
| 754 | Q | 70 | Confident | 69.9 | Low | 119 Ų | 119 | 57.2 Ų | 57.2 | 56% | 0.556 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -76.8 | -32.2 | -176.6 | -70.3 | -173.8 | 31.3 | 0 | 0 | 113.1 | E750 D751 G756 | E750-Q754 HydrophobicContact CG-CG 4.44Å; E750-Q754 WeakPolarHBondContact O-CG 3.13Å; E750-Q754 PolarHBondContact O-N 2.97Å; E750-Q754 PolarHBondContact OE1-NE2 3.01Å; D751-Q754 PolarHBondContact O-N 2.96Å; Q754-G756 PolarHBondContact O-N 3.07Å |
| 755 | T | 66.6 | Low | 69.1 | Low | 98 Ų | 98 | 57.6 Ų | 57.6 | 60% | 0.601 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -8.4 | 176.1 | 47.7 | 0 | 0 | 0 | 0 | 113.8 | D751 H752 | D751-T755 WeakPolarHBondContact O-CB 3.41Å; D751-T755 VanDerWaalsContact O-CG2 3.31Å; D751-T755 WeakPolarHBondContact O-CG2 3.23Å; D751-T755 PolarHBondContact O-N 3.28Å; D751-T755 PolarHBondContact O-OG1 3.1Å; H752-T755 WeakPolarHBondContact CA-OG1 3.18Å; H752-T755 PolarHBondContact O-OG1 2.9Å |
| 756 | G | 57.5 | Low | 68.3 | Low | 66 Ų | 66 | 58.7 Ų | 58.7 | 68% | 0.68 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 15 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q754 | Q754-G756 PolarHBondContact O-N 3.07Š|
| 757 | H | 57 | Low | 67.9 | Low | 135 Ų | 135 | 58.8 Ų | 58.8 | 63% | 0.625 | 32% | 0.317 | S | S | * | . | trans | -65.8 | 142.2 | 168.4 | -84.7 | -101 | 0 | 0 | 0 | 110.7 | V759 | H757-V759 PolarHBondContact O-N 3.39Š| ||
| 758 | E | 57.4 | Low | 67.5 | Low | 193 Ų | 193 | 59.6 Ų | 59.6 | 90% | 0.902 | 32% | 0.318 | S | S | * | . | trans | -60.8 | 126.1 | 171 | -73.5 | -169.7 | 154.3 | 0 | 0 | 109.5 | S760 | E758-S760 PolarHBondContact O-N 3.3Š| ||
| 759 | V | 57.4 | Low | 67 | Low | 26 Ų | 26 | 61.5 Ų | 61.5 | 16% | 0.158 | 33% | 0.327 | C | S | . | . | trans | -58.8 | 109.7 | -176.7 | -170.8 | 0 | 0 | 0 | 0 | 109.7 | F753 H757 D763 K764 L796 | F753-V759 HydrophobicContact CD1-CG2 3.82Å; F753-V759 HydrophobicContact CE1-CB 4.37Å; F753-V759 HydrophobicContact CE1-CG1 4.15Å; F753-V759 HydrophobicContact CE1-CG2 3.28Å; F753-V759 HydrophobicContact CE2-CG1 4.25Å; F753-V759 HydrophobicContact CZ-CB 4.33Å; F753-V759 HydrophobicContact CZ-CG1 3.63Å; F753-V759 HydrophobicContact CZ-CG2 3.68Å; H757-V759 PolarHBondContact O-N 3.39Å; V759-D763 HydrophobicContact CG1-CB 3.98Å; V759-K764 HydrophobicContact CG1-CG 3.99Å; V759-K764 PolarHBondContact O-NZ 2.97Å; V759-K764 VanDerWaalsContact O-NZ 3.1Å; V759-L796 HydrophobicContact CG1-CD2 3.94Å | ||
| 760 | S | 59.9 | Low | 66.8 | Low | 47 Ų | 47 | 61.3 Ų | 61.3 | 33% | 0.329 | 33% | 0.326 | S | S | . | . | trans | -66.3 | 154.2 | -173.8 | 83 | 0 | 0 | 0 | 0 | 110.1 | E758 N762 D763 K764 | E758-S760 PolarHBondContact O-N 3.3Å; S760-N762 PolarHBondContact O-N 3.47Å; S760-N762 VanDerWaalsContact O-N 3.12Å; S760-N762 PolarHBondContact OG-N 3Å; S760-D763 WeakPolarHBondContact CA-OD2 3.36Å; S760-D763 WeakPolarHBondContact CB-OD2 3.46Å; S760-D763 PolarHBondContact N-OD2 3.47Å; S760-D763 PolarHBondContact O-N 3.01Å; S760-D763 VanDerWaalsContact O-N 3.09Å; S760-D763 PolarHBondContact OG-N 2.88Å; S760-D763 PolarHBondContact OG-OD1 2.95Å; S760-D763 PolarHBondContact OG-OD2 3.29Å; S760-K764 PolarHBondContact O-N 3.09Å; S760-K764 VanDerWaalsContact O-N 3.08Å | ||
| 761 | N | 63.7 | Low | 66.8 | Low | 113 Ų | 113 | 63.1 Ų | 63.1 | 60% | 0.604 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.8 | -20.2 | 172 | -105 | -9.9 | 0 | 0 | 0 | 112.1 | K765 | N761-K765 WeakPolarHBondContact O-CD 3.45Å; N761-K765 VanDerWaalsContact O-CG 3.23Å; N761-K765 WeakPolarHBondContact O-CG 3.49Å; N761-K765 PolarHBondContact O-N 3.34Å |
| 762 | N | 59.5 | Low | 66.5 | Low | 74 Ų | 74 | 66.8 Ų | 66.8 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -74.7 | -45.2 | 173 | -68.9 | -13.7 | 0 | 0 | 0 | 110.8 | S760 K764 K765 L766 | S760-N762 PolarHBondContact O-N 3.47Å; S760-N762 VanDerWaalsContact O-N 3.12Å; S760-N762 PolarHBondContact OG-N 3Å; N762-K764 VanDerWaalsContact C-N 3.26Å; N762-K764 PolarHBondContact O-N 3.2Å; N762-K765 CarbonylContact O-C 3.55Å; N762-K765 WeakPolarHBondContact O-CA 3.43Å; N762-K765 WeakPolarHBondContact O-CB 3.33Å; N762-K765 PolarHBondContact O-N 3.09Å; N762-K765 PolarHBondContact OD1-NZ 3.35Å; N762-L766 WeakPolarHBondContact O-CB 3.43Å; N762-L766 PolarHBondContact O-N 3.48Å |
| 763 | D | 65.3 | Low | 66.1 | Low | 23 Ų | 23 | 64.5 Ų | 64.5 | 12% | 0.123 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.7 | -38.7 | 176.8 | -46.4 | -41.2 | 0 | 0 | 0 | 111 | V759 S760 K765 L766 V767 | V759-D763 HydrophobicContact CG1-CB 3.98Å; S760-D763 WeakPolarHBondContact CA-OD2 3.36Å; S760-D763 WeakPolarHBondContact CB-OD2 3.46Å; S760-D763 PolarHBondContact N-OD2 3.47Å; S760-D763 PolarHBondContact O-N 3.01Å; S760-D763 VanDerWaalsContact O-N 3.09Å; S760-D763 PolarHBondContact OG-N 2.88Å; S760-D763 PolarHBondContact OG-OD1 2.95Å; S760-D763 PolarHBondContact OG-OD2 3.29Å; D763-K765 PolarHBondContact O-N 3.19Å; D763-L766 PolarHBondContact O-N 2.88Å; D763-V767 WeakPolarHBondContact O-CB 3.36Å; D763-V767 WeakPolarHBondContact O-CG2 3.48Å; D763-V767 PolarHBondContact O-N 3.23Å |
| 764 | K | 70 | Confident | 66.2 | Low | 15 Ų | 15 | 63.1 Ų | 63.1 | 7% | 0.065 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61 | -41.4 | 171.6 | -69.6 | 164.2 | -179 | 151.9 | 0 | 112.5 | V759 S760 N762 K768 L796 E801 | V759-K764 HydrophobicContact CG1-CG 3.99Å; V759-K764 PolarHBondContact O-NZ 2.97Å; V759-K764 VanDerWaalsContact O-NZ 3.1Å; S760-K764 PolarHBondContact O-N 3.09Å; S760-K764 VanDerWaalsContact O-N 3.08Å; N762-K764 VanDerWaalsContact C-N 3.26Å; N762-K764 PolarHBondContact O-N 3.2Å; K764-K768 WeakPolarHBondContact O-CB 3.47Å; K764-K768 VanDerWaalsContact O-CG 3.28Å; K764-K768 WeakPolarHBondContact O-CG 3.49Å; K764-K768 PolarHBondContact O-N 3.4Å; K764-L796 HydrophobicContact CG-CD2 4.09Å; K764-E801 WeakPolarHBondContact CE-OE2 3.3Å; K764-E801 IonicContact NZ-OE1 2.95Å; K764-E801 PolarHBondContact NZ-OE1 2.92Å; K764-E801 IonicContact NZ-OE2 2.7Å; K764-E801 PolarHBondContact NZ-OE2 2.95Å |
| 765 | K | 68.1 | Low | 66 | Low | 58 Ų | 58 | 63 Ų | 63 | 25% | 0.252 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.1 | -35.4 | 173.4 | -68.8 | 162.6 | -167.4 | 163.4 | 0 | 111.9 | L481 E484 N761 N762 D763 K768 L769 | L481-K765 HydrophobicContact CD1-CD 4.44Å; E484-K765 IonicContact OE1-NZ 2.63Å; E484-K765 PolarHBondContact OE1-NZ 2.94Å; E484-K765 IonicContact OE2-NZ 2.98Å; E484-K765 PolarHBondContact OE2-NZ 3.46Å; N761-K765 WeakPolarHBondContact O-CD 3.45Å; N761-K765 VanDerWaalsContact O-CG 3.23Å; N761-K765 WeakPolarHBondContact O-CG 3.49Å; N761-K765 PolarHBondContact O-N 3.34Å; N762-K765 CarbonylContact O-C 3.55Å; N762-K765 WeakPolarHBondContact O-CA 3.43Å; N762-K765 WeakPolarHBondContact O-CB 3.33Å; N762-K765 PolarHBondContact O-N 3.09Å; N762-K765 PolarHBondContact OD1-NZ 3.35Å; D763-K765 PolarHBondContact O-N 3.19Å; K765-K768 CarbonylContact O-C 3.52Å; K765-K768 WeakPolarHBondContact O-CB 3.42Å; K765-K768 PolarHBondContact O-N 3.11Å; K765-L769 WeakPolarHBondContact O-CB 3.19Å; K765-L769 PolarHBondContact O-N 3.37Å |
| 766 | L | 68 | Low | 65.7 | Low | 23 Ų | 23 | 64.5 Ų | 64.5 | 12% | 0.12 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -76.2 | -40.8 | -174.2 | -154 | 160.8 | 0 | 0 | 0 | 110.3 | L647 L651 I749 N762 D763 L769 L770 | L647-L766 HydrophobicContact CD2-CD1 4.15Å; L647-L766 HydrophobicContact CG-CD1 4.5Å; L651-L766 HydrophobicContact CD1-CD1 3.66Å; L651-L766 HydrophobicContact CD1-CD2 3.87Å; L651-L766 HydrophobicContact CD1-CG 3.68Å; L651-L766 HydrophobicContact CD2-CD2 3.86Å; L651-L766 HydrophobicContact CD2-CG 4.29Å; L651-L766 HydrophobicContact CG-CD2 4.46Å; I749-L766 HydrophobicContact CD1-CD2 3.49Å; I749-L766 VanDerWaalsContact CD1-CD2 3.49Å; I749-L766 HydrophobicContact CG1-CD2 4.09Å; N762-L766 WeakPolarHBondContact O-CB 3.43Å; N762-L766 PolarHBondContact O-N 3.48Å; D763-L766 PolarHBondContact O-N 2.88Å; L766-L769 WeakPolarHBondContact O-CB 3.39Å; L766-L769 PolarHBondContact O-N 3.02Å; L766-L770 HydrophobicContact CD2-CD1 3.85Å; L766-L770 HydrophobicContact CD2-CG 4.38Å; L766-L770 WeakPolarHBondContact O-CB 3.48Å; L766-L770 WeakPolarHBondContact O-CG 3.27Å; L766-L770 PolarHBondContact O-N 3.37Å |
| 767 | V | 74.8 | Confident | 65.7 | Low | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 165.6 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | I749 D763 L769 L770 N771 L789 I792 L793 L796 | I749-V767 HydrophobicContact CD1-CG2 4.06Å; I749-V767 HydrophobicContact CG2-CG2 3.91Å; D763-V767 WeakPolarHBondContact O-CB 3.36Å; D763-V767 WeakPolarHBondContact O-CG2 3.48Å; D763-V767 PolarHBondContact O-N 3.23Å; V767-L769 VanDerWaalsContact C-N 3.29Å; V767-L769 PolarHBondContact O-N 3.46Å; V767-L770 PolarHBondContact O-N 3.41Å; V767-N771 VanDerWaalsContact O-CB 3.32Å; V767-N771 WeakPolarHBondContact O-CB 3.29Å; V767-N771 PolarHBondContact O-N 3Å; V767-L789 HydrophobicContact CG1-CD1 4.08Å; V767-I792 HydrophobicContact CG1-CG2 4.43Å; V767-I792 HydrophobicContact CG2-CG2 3.87Å; V767-L793 HydrophobicContact CG1-CD2 3.85Å; V767-L793 HydrophobicContact CG1-CG 4.5Å; V767-L796 HydrophobicContact CB-CD1 4.37Å; V767-L796 HydrophobicContact CG1-CD1 3.9Å; V767-L796 HydrophobicContact CG2-CD1 4.43Å |
| 768 | K | 73.3 | Confident | 65.7 | Low | 74 Ų | 74 | 60.7 Ų | 60.7 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60 | -37.7 | 172.1 | -80.3 | 178.7 | 179.9 | -175.5 | 0 | 112.1 | K764 K765 R772 S804 L805 | K764-K768 WeakPolarHBondContact O-CB 3.47Å; K764-K768 VanDerWaalsContact O-CG 3.28Å; K764-K768 WeakPolarHBondContact O-CG 3.49Å; K764-K768 PolarHBondContact O-N 3.4Å; K765-K768 CarbonylContact O-C 3.52Å; K765-K768 WeakPolarHBondContact O-CB 3.42Å; K765-K768 PolarHBondContact O-N 3.11Å; K768-R772 WeakPolarHBondContact O-CG 3.45Å; K768-R772 PolarHBondContact O-N 2.8Å; K768-R772 VanDerWaalsContact O-N 3.12Å; K768-S804 PolarHBondContact NZ-O 2.88Å; K768-L805 HydrophobicContact CD-CD2 4.24Å; K768-L805 HydrophobicContact CG-CD2 3.89Å |
| 769 | L | 67.5 | Low | 66 | Low | 44 Ų | 44 | 53.9 Ų | 53.9 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.9 | -53 | 176.3 | -178.3 | 65.9 | 0 | 0 | 0 | 110.6 | K765 L766 V767 N771 R772 L773 | K765-L769 WeakPolarHBondContact O-CB 3.19Å; K765-L769 PolarHBondContact O-N 3.37Å; L766-L769 WeakPolarHBondContact O-CB 3.39Å; L766-L769 PolarHBondContact O-N 3.02Å; V767-L769 VanDerWaalsContact C-N 3.29Å; V767-L769 PolarHBondContact O-N 3.46Å; L769-N771 VanDerWaalsContact C-N 3.29Å; L769-N771 PolarHBondContact O-N 3.39Å; L769-R772 PolarHBondContact O-N 2.94Å; L769-R772 VanDerWaalsContact O-N 3.16Å; L769-L773 HydrophobicContact CG-CD1 4.26Å; L769-L773 VanDerWaalsContact O-CG 3.31Å; L769-L773 WeakPolarHBondContact O-CG 3.29Å; L769-L773 PolarHBondContact O-N 3.22Å |
| 770 | L | 73.7 | Confident | 66.1 | Low | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.8 | -38.3 | 177.2 | -70.6 | 169.8 | 0 | 0 | 0 | 112.2 | L651 L654 W742 C745 L746 I749 L766 V767 L773 S774 | L651-L770 HydrophobicContact CD2-CD2 4.22Å; L654-L770 HydrophobicContact CD1-CD2 4.45Å; W742-L770 VanDerWaalsContact CZ2-O 3.26Å; W742-L770 WeakPolarHBondContact CZ2-O 3.17Å; C745-L770 HydrophobicContact CB-CD1 4.05Å; C745-L770 HydrophobicContact CB-CD2 4.35Å; L746-L770 HydrophobicContact CD2-CD1 3.97Å; L746-L770 HydrophobicContact CG-CD1 4.43Å; I749-L770 HydrophobicContact CD1-CD1 3.48Å; I749-L770 VanDerWaalsContact CD1-CD1 3.48Å; L766-L770 HydrophobicContact CD2-CD1 3.85Å; L766-L770 HydrophobicContact CD2-CG 4.38Å; L766-L770 WeakPolarHBondContact O-CB 3.48Å; L766-L770 WeakPolarHBondContact O-CG 3.27Å; L766-L770 PolarHBondContact O-N 3.37Å; V767-L770 PolarHBondContact O-N 3.41Å; L770-L773 HydrophobicContact CD2-CD1 4.45Å; L770-L773 PolarHBondContact O-N 3.46Å; L770-S774 PolarHBondContact O-N 3.01Å |
| 771 | N | 76.6 | Confident | 66.1 | Low | 47 Ų | 47 | 51 Ų | 51 | 25% | 0.251 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 174.9 | -163.2 | 104 | 0 | 0 | 0 | 111.8 | V767 L769 L773 S774 D775 | V767-N771 VanDerWaalsContact O-CB 3.32Å; V767-N771 WeakPolarHBondContact O-CB 3.29Å; V767-N771 PolarHBondContact O-N 3Å; L769-N771 VanDerWaalsContact C-N 3.29Å; L769-N771 PolarHBondContact O-N 3.39Å; N771-L773 VanDerWaalsContact C-N 3.29Å; N771-L773 PolarHBondContact O-N 3.04Å; N771-S774 WeakPolarHBondContact O-CA 3.48Å; N771-S774 WeakPolarHBondContact O-CB 3.49Å; N771-S774 PolarHBondContact O-N 3.42Å; N771-S774 PolarHBondContact O-OG 3.32Å; N771-D775 PolarHBondContact ND2-OD2 3.22Å; N771-D775 VanDerWaalsContact O-CG 3.3Å; N771-D775 PolarHBondContact O-N 3.12Å; N771-D775 VanDerWaalsContact O-N 3.17Å; N771-D775 VanDerWaalsContact O-OD2 3.1Å |
| 772 | R | 68.6 | Low | 66.3 | Low | 160 Ų | 160 | 49 Ų | 49 | 60% | 0.604 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -60.5 | -39 | 174.9 | -75.7 | 172.5 | 176 | 175.5 | -3.6 | 112.2 | K768 L769 S774 D775 H776 | K768-R772 WeakPolarHBondContact O-CG 3.45Å; K768-R772 PolarHBondContact O-N 2.8Å; K768-R772 VanDerWaalsContact O-N 3.12Å; L769-R772 PolarHBondContact O-N 2.94Å; L769-R772 VanDerWaalsContact O-N 3.16Å; R772-S774 PolarHBondContact O-N 3.48Å; R772-D775 PolarHBondContact O-N 3.13Å; R772-H776 PolarHBondContact O-CD2 2.89Å |
| 773 | L | 65.5 | Low | 66.9 | Low | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.1 | -36.7 | 172.4 | -63.8 | 173.8 | 0 | 0 | 0 | 110.5 | L654 I658 L659 W742 L769 L770 N771 D775 H776 | L654-L773 HydrophobicContact CB-CD1 4.46Å; I658-L773 HydrophobicContact CB-CD2 3.8Å; I658-L773 HydrophobicContact CD1-CB 4.08Å; I658-L773 HydrophobicContact CD1-CD1 4.34Å; I658-L773 HydrophobicContact CD1-CD2 3.91Å; I658-L773 HydrophobicContact CD1-CG 4.32Å; I658-L773 HydrophobicContact CG1-CD2 4.45Å; I658-L773 HydrophobicContact CG2-CD2 3.59Å; L659-L773 HydrophobicContact CD1-CD2 4.48Å; L659-L773 HydrophobicContact CD2-CD2 4.46Å; L659-L773 HydrophobicContact CG-CD2 4.18Å; W742-L773 HydrophobicContact CH2-CB 3.71Å; W742-L773 WeakPolarHBondContact CH2-O 3.38Å; W742-L773 HydrophobicContact CZ2-CB 4.11Å; W742-L773 HydrophobicContact CZ3-CB 4.33Å; L769-L773 HydrophobicContact CG-CD1 4.26Å; L769-L773 VanDerWaalsContact O-CG 3.31Å; L769-L773 WeakPolarHBondContact O-CG 3.29Å; L769-L773 PolarHBondContact O-N 3.22Å; L770-L773 HydrophobicContact CD2-CD1 4.45Å; L770-L773 PolarHBondContact O-N 3.46Å; N771-L773 VanDerWaalsContact C-N 3.29Å; N771-L773 PolarHBondContact O-N 3.04Å; L773-D775 VanDerWaalsContact C-N 3.25Å; L773-D775 PolarHBondContact O-N 2.83Å; L773-H776 PolarHBondContact O-N 3.42Å; L773-H776 VanDerWaalsContact O-N 3.16Å |
| 774 | S | 68.9 | Low | 67.3 | Low | 8 Ų | 8 | 51.4 Ų | 51.4 | 6% | 0.056 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.6 | -28 | 179.3 | 94.5 | 0 | 0 | 0 | 0 | 113.6 | W742 L770 N771 R772 Y786 | W742-S774 VanDerWaalsContact CH2-CA 3.46Å; W742-S774 VanDerWaalsContact CH2-N 3.29Å; L770-S774 PolarHBondContact O-N 3.01Å; N771-S774 WeakPolarHBondContact O-CA 3.48Å; N771-S774 WeakPolarHBondContact O-CB 3.49Å; N771-S774 PolarHBondContact O-N 3.42Å; N771-S774 PolarHBondContact O-OG 3.32Å; R772-S774 PolarHBondContact O-N 3.48Å; S774-Y786 PolarHBondContact O-OH 2.9Å; S774-Y786 VanDerWaalsContact O-OH 3.05Å |
| 775 | D | 67.2 | Low | 67.5 | Low | 115 Ų | 115 | 51 Ų | 51 | 62% | 0.615 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -79 | -22.5 | 178.4 | -55.1 | -41.4 | 0 | 0 | 0 | 111.8 | N771 R772 L773 | N771-D775 PolarHBondContact ND2-OD2 3.22Å; N771-D775 VanDerWaalsContact O-CG 3.3Å; N771-D775 PolarHBondContact O-N 3.12Å; N771-D775 VanDerWaalsContact O-N 3.17Å; N771-D775 VanDerWaalsContact O-OD2 3.1Å; R772-D775 PolarHBondContact O-N 3.13Å; L773-D775 VanDerWaalsContact C-N 3.25Å; L773-D775 PolarHBondContact O-N 2.83Å |
| 776 | H | 59.7 | Low | 67.9 | Low | 130 Ų | 130 | 51.7 Ų | 51.7 | 60% | 0.602 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -87.8 | -25.2 | -173.8 | -85.2 | -64.1 | 0 | 0 | 0 | 115.2 | I658 R772 L773 | I658-H776 HydrophobicContact CG2-CB 4.04Å; R772-H776 PolarHBondContact O-CD2 2.89Å; L773-H776 PolarHBondContact O-N 3.42Å; L773-H776 VanDerWaalsContact O-N 3.16Å |
| 777 | N | 57.2 | Low | 68.4 | Low | 26 Ų | 26 | 53.3 Ų | 53.3 | 14% | 0.139 | 30% | 0.299 | C | S | . | . | trans | -155.9 | 92.7 | -177.3 | -150 | -19.6 | 0 | 0 | 0 | 113.3 | S779 I780 | N777-S779 PolarHBondContact O-N 3.04Å; N777-S779 VanDerWaalsContact O-N 3.09Å; N777-S779 PolarHBondContact OD1-OG 3.23Å; N777-I780 HydrophobicContact CB-CD1 3.81Å; N777-I780 HydrophobicContact CB-CG1 4.03Å; N777-I780 PolarHBondContact O-N 3.34Å; N777-I780 VanDerWaalsContact O-N 3.16Å | ||
| 778 | S | 57.7 | Low | 68.7 | Low | 95 Ų | 95 | 55.8 Ų | 55.8 | 66% | 0.664 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -17.6 | -174.7 | 60.7 | 0 | 0 | 0 | 0 | 114.8 | I780 | S778-I780 VanDerWaalsContact C-N 3.31Š|
| 779 | S | 63.7 | Low | 69 | Low | 50 Ų | 50 | 52.4 Ų | 52.4 | 35% | 0.35 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -22.8 | 177.3 | 63.4 | 0 | 0 | 0 | 0 | 113.8 | K739 N777 | K739-S779 WeakPolarHBondContact CE-O 3.32Å; N777-S779 PolarHBondContact O-N 3.04Å; N777-S779 VanDerWaalsContact O-N 3.09Å; N777-S779 PolarHBondContact OD1-OG 3.23Å |
| 780 | I | 59.2 | Low | 69.7 | Low | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -86.6 | -17.7 | -176.3 | -51.4 | -177 | 0 | 0 | 0 | 111.4 | I658 C738 K739 W742 N777 S778 | I658-I780 HydrophobicContact CD1-CD1 4.23Å; I658-I780 HydrophobicContact CG1-CD1 4.13Å; C738-I780 HydrophobicContact CB-CG2 3.49Å; C738-I780 VanDerWaalsContact CB-CG2 3.49Å; K739-I780 WeakPolarHBondContact CG-O 3.1Å; W742-I780 HydrophobicContact CE3-CB 4.33Å; W742-I780 HydrophobicContact CE3-CG2 3.56Å; W742-I780 HydrophobicContact CZ3-CB 3.98Å; W742-I780 HydrophobicContact CZ3-CG2 3.65Å; N777-I780 HydrophobicContact CB-CD1 3.81Å; N777-I780 HydrophobicContact CB-CG1 4.03Å; N777-I780 PolarHBondContact O-N 3.34Å; N777-I780 VanDerWaalsContact O-N 3.16Å; S778-I780 VanDerWaalsContact C-N 3.31Å |
| 781 | C | 60.8 | Low | 70 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 7% | 0.074 | 33% | 0.328 | C | S | . | . | trans | -103 | 97.6 | -175.6 | -63 | 0 | 0 | 0 | 0 | 112 | W742 Y786 | W742-C781 WeakPolarHBondContact CH2-SG 3.46Å; W742-C781 WeakPolarHBondContact CZ2-SG 3.32Å; C781-Y786 HydrophobicContact CB-CD1 4.34Å; C781-Y786 HydrophobicContact CB-CD2 3.5Å; C781-Y786 HydrophobicContact CB-CE1 3.98Å; C781-Y786 HydrophobicContact CB-CE2 3.09Å; C781-Y786 HydrophobicContact CB-CG 4.12Å; C781-Y786 WeakPolarHBondContact O-CD2 3.22Å; C781-Y786 WeakPolarHBondContact O-CE2 3.29Å | ||
| 782 | D | 66.4 | Low | 70.2 | Confident | 71 Ų | 71 | 57.5 Ų | 57.5 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | trans | -62.8 | 152.9 | 169.4 | -69.7 | -39.7 | 0 | 0 | 0 | 111.7 | K739 A784 A785 Y786 | K739-D782 WeakPolarHBondContact CD-OD2 3.37Å; K739-D782 WeakPolarHBondContact CE-OD1 3.41Å; K739-D782 IonicContact NZ-OD1 3.91Å; K739-D782 PolarHBondContact NZ-OD1 2.68Å; K739-D782 IonicContact NZ-OD2 2.78Å; K739-D782 PolarHBondContact NZ-OD2 3.48Å; D782-A784 PolarHBondContact O-N 3.18Å; D782-A785 WeakPolarHBondContact O-CA 3.39Å; D782-A785 WeakPolarHBondContact O-CB 3.16Å; D782-A785 PolarHBondContact O-N 3.18Å; D782-Y786 PolarHBondContact O-N 3.36Å | ||
| 783 | A | 72.1 | Confident | 70.8 | Confident | 85 Ų | 85 | 51.6 Ų | 51.6 | 70% | 0.702 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -54.3 | -31 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S787 | A783-S787 WeakPolarHBondContact O-CB 3.29Å; A783-S787 PolarHBondContact O-N 3.09Å |
| 784 | A | 74.4 | Confident | 71.4 | Confident | 63 Ų | 63 | 54.9 Ų | 54.9 | 52% | 0.521 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | D782 S787 R788 | D782-A784 PolarHBondContact O-N 3.18Å; A784-S787 PolarHBondContact O-N 3.1Å; A784-R788 PolarHBondContact O-N 2.97Å |
| 785 | A | 74.3 | Confident | 71.6 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 5% | 0.05 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.9 | -45.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L746 D782 S787 R788 L789 | L746-A785 HydrophobicContact CD1-CB 4Å; L746-A785 WeakPolarHBondContact CD1-O 3.46Å; D782-A785 WeakPolarHBondContact O-CA 3.39Å; D782-A785 WeakPolarHBondContact O-CB 3.16Å; D782-A785 PolarHBondContact O-N 3.18Å; A785-S787 VanDerWaalsContact C-N 3.34Å; A785-S787 PolarHBondContact O-N 2.69Å; A785-R788 WeakPolarHBondContact O-CB 3.35Å; A785-R788 PolarHBondContact O-N 3.47Å; A785-L789 WeakPolarHBondContact O-CB 3.41Å; A785-L789 PolarHBondContact O-N 3.14Å |
| 786 | Y | 76 | Confident | 71.9 | Confident | 74 Ų | 74 | 52.1 Ų | 52.1 | 29% | 0.29 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 173 | -86.1 | -55.5 | 0 | 0 | 0 | 112.3 | S774 C781 D782 R788 L789 N790 | S774-Y786 PolarHBondContact O-OH 2.9Å; S774-Y786 VanDerWaalsContact O-OH 3.05Å; C781-Y786 HydrophobicContact CB-CD1 4.34Å; C781-Y786 HydrophobicContact CB-CD2 3.5Å; C781-Y786 HydrophobicContact CB-CE1 3.98Å; C781-Y786 HydrophobicContact CB-CE2 3.09Å; C781-Y786 HydrophobicContact CB-CG 4.12Å; C781-Y786 WeakPolarHBondContact O-CD2 3.22Å; C781-Y786 WeakPolarHBondContact O-CE2 3.29Å; D782-Y786 PolarHBondContact O-N 3.36Å; Y786-R788 VanDerWaalsContact C-N 3.33Å; Y786-R788 PolarHBondContact O-N 2.83Å; Y786-L789 PolarHBondContact O-N 2.86Å; Y786-N790 WeakPolarHBondContact O-CB 3.47Å; Y786-N790 PolarHBondContact O-N 3.1Å; Y786-N790 PolarHBondContact O-ND2 3.25Å; Y786-N790 VanDerWaalsContact O-ND2 3.16Å |
| 787 | S | 78.9 | Confident | 72.4 | Confident | 57 Ų | 57 | 48.1 Ų | 48.1 | 40% | 0.399 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 175.1 | -171.9 | 0 | 0 | 0 | 0 | 111.7 | A783 A784 A785 K791 | A783-S787 WeakPolarHBondContact O-CB 3.29Å; A783-S787 PolarHBondContact O-N 3.09Å; A784-S787 PolarHBondContact O-N 3.1Å; A785-S787 VanDerWaalsContact C-N 3.34Å; A785-S787 PolarHBondContact O-N 2.69Å; S787-K791 WeakPolarHBondContact O-CG 3.19Å; S787-K791 PolarHBondContact O-N 2.88Å |
| 788 | R | 80.4 | Confident | 73 | Confident | 52 Ų | 52 | 53.4 Ų | 53.4 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.9 | -50.4 | 175.7 | -138.9 | 78.8 | 176.9 | 105.4 | 1.3 | 111.9 | L746 E750 A784 A785 Y786 N790 K791 I792 | L746-R788 HydrophobicContact CB-CB 4.43Å; L746-R788 HydrophobicContact CB-CG 4.43Å; L746-R788 HydrophobicContact CD1-CB 4.28Å; E750-R788 IonicContact OE1-CZ 2.82Å; E750-R788 IonicContact OE1-NH1 3.88Å; E750-R788 PolarHBondContact OE1-NH1 3.2Å; E750-R788 IonicContact OE1-NH2 3.28Å; E750-R788 PolarHBondContact OE1-NH2 3.37Å; E750-R788 IonicContact OE2-CZ 3.04Å; E750-R788 IonicContact OE2-NE 2.81Å; E750-R788 PolarHBondContact OE2-NE 3.01Å; E750-R788 IonicContact OE2-NH1 2.67Å; E750-R788 PolarHBondContact OE2-NH1 3.36Å; E750-R788 IonicContact OE2-NH2 3.47Å; E750-R788 PolarHBondContact OE2-NH2 2.96Å; A784-R788 PolarHBondContact O-N 2.97Å; A785-R788 WeakPolarHBondContact O-CB 3.35Å; A785-R788 PolarHBondContact O-N 3.47Å; Y786-R788 VanDerWaalsContact C-N 3.33Å; Y786-R788 PolarHBondContact O-N 2.83Å; R788-N790 VanDerWaalsContact C-N 3.29Å; R788-N790 PolarHBondContact O-N 3.28Å; R788-K791 WeakPolarHBondContact O-CB 3.35Å; R788-K791 PolarHBondContact O-N 3.42Å; R788-I792 WeakPolarHBondContact O-CG1 3.21Å; R788-I792 PolarHBondContact O-N 3.09Å |
| 789 | L | 80.7 | Confident | 73.1 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.3 | -44.1 | 176.6 | 178.5 | 61.9 | 0 | 0 | 0 | 111.2 | L746 V767 A785 Y786 K791 I792 L793 | L746-L789 HydrophobicContact CD1-CB 4.23Å; L746-L789 HydrophobicContact CD2-CB 4.11Å; L746-L789 HydrophobicContact CD2-CD1 3.99Å; V767-L789 HydrophobicContact CG1-CD1 4.08Å; A785-L789 WeakPolarHBondContact O-CB 3.41Å; A785-L789 PolarHBondContact O-N 3.14Å; Y786-L789 PolarHBondContact O-N 2.86Å; L789-K791 PolarHBondContact O-N 2.86Å; L789-I792 PolarHBondContact O-N 2.98Å; L789-L793 HydrophobicContact CD1-CD1 4.23Å; L789-L793 HydrophobicContact CD1-CG 4.26Å; L789-L793 HydrophobicContact CG-CD1 3.99Å; L789-L793 HydrophobicContact CG-CG 4.45Å; L789-L793 WeakPolarHBondContact O-CB 3.39Å; L789-L793 VanDerWaalsContact O-CG 3.3Å; L789-L793 WeakPolarHBondContact O-CG 3.35Å; L789-L793 PolarHBondContact O-N 3.25Å |
| 790 | N | 80.8 | Confident | 72.5 | Confident | 94 Ų | 94 | 56.3 Ų | 56.3 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64 | -37.6 | 175.4 | -79.1 | -39 | 0 | 0 | 0 | 113.1 | Y786 R788 V794 | Y786-N790 WeakPolarHBondContact O-CB 3.47Å; Y786-N790 PolarHBondContact O-N 3.1Å; Y786-N790 PolarHBondContact O-ND2 3.25Å; Y786-N790 VanDerWaalsContact O-ND2 3.16Å; R788-N790 VanDerWaalsContact C-N 3.29Å; R788-N790 PolarHBondContact O-N 3.28Å; N790-V794 WeakPolarHBondContact O-CB 3.43Å; N790-V794 VanDerWaalsContact O-CG2 3.23Å; N790-V794 WeakPolarHBondContact O-CG2 3.32Å; N790-V794 PolarHBondContact O-N 3.43Å |
| 791 | K | 81.3 | Confident | 72 | Confident | 104 Ų | 104 | 60.6 Ų | 60.6 | 45% | 0.452 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 172.8 | -72.8 | 167.9 | -176.6 | 177.2 | 0 | 111.4 | S787 R788 L789 V794 Q795 | S787-K791 WeakPolarHBondContact O-CG 3.19Å; S787-K791 PolarHBondContact O-N 2.88Å; R788-K791 WeakPolarHBondContact O-CB 3.35Å; R788-K791 PolarHBondContact O-N 3.42Å; L789-K791 PolarHBondContact O-N 2.86Å; K791-V794 PolarHBondContact O-N 2.88Å; K791-Q795 WeakPolarHBondContact O-CG 3.34Å; K791-Q795 PolarHBondContact O-N 3.37Å |
| 792 | I | 80.3 | Confident | 71.2 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 178 | -66.3 | 164.1 | 0 | 0 | 0 | 110.9 | L746 I749 E750 F753 V767 R788 L789 V794 Q795 L796 | L746-I792 HydrophobicContact CB-CD1 4.4Å; L746-I792 HydrophobicContact CD2-CD1 3.95Å; I749-I792 HydrophobicContact CG2-CD1 4.21Å; I749-I792 HydrophobicContact CG2-CG2 4.24Å; E750-I792 HydrophobicContact CB-CD1 4.12Å; E750-I792 HydrophobicContact CB-CG1 4.16Å; E750-I792 HydrophobicContact CG-CG1 4.18Å; F753-I792 HydrophobicContact CD2-CG2 4.26Å; F753-I792 HydrophobicContact CE2-CG2 3.6Å; F753-I792 HydrophobicContact CZ-CG2 3.96Å; V767-I792 HydrophobicContact CG1-CG2 4.43Å; V767-I792 HydrophobicContact CG2-CG2 3.87Å; R788-I792 WeakPolarHBondContact O-CG1 3.21Å; R788-I792 PolarHBondContact O-N 3.09Å; L789-I792 PolarHBondContact O-N 2.98Å; I792-V794 VanDerWaalsContact C-N 3.3Å; I792-V794 PolarHBondContact O-N 3.49Å; I792-Q795 WeakPolarHBondContact O-CB 3.32Å; I792-Q795 PolarHBondContact O-N 2.91Å; I792-Q795 VanDerWaalsContact O-N 3.13Å; I792-L796 HydrophobicContact CG2-CD1 4.1Å; I792-L796 WeakPolarHBondContact O-CB 3.26Å; I792-L796 WeakPolarHBondContact O-CG 3.42Å; I792-L796 PolarHBondContact O-N 3.25Å |
| 793 | L | 80.4 | Confident | 70.3 | Confident | 35 Ų | 35 | 65 Ų | 65 | 18% | 0.183 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.1 | -37.6 | 175.2 | -71.4 | 170.5 | 0 | 0 | 0 | 112.1 | V767 L789 L796 S797 | V767-L793 HydrophobicContact CG1-CD2 3.85Å; V767-L793 HydrophobicContact CG1-CG 4.5Å; L789-L793 HydrophobicContact CD1-CD1 4.23Å; L789-L793 HydrophobicContact CD1-CG 4.26Å; L789-L793 HydrophobicContact CG-CD1 3.99Å; L789-L793 HydrophobicContact CG-CG 4.45Å; L789-L793 WeakPolarHBondContact O-CB 3.39Å; L789-L793 VanDerWaalsContact O-CG 3.3Å; L789-L793 WeakPolarHBondContact O-CG 3.35Å; L789-L793 PolarHBondContact O-N 3.25Å; L793-L796 HydrophobicContact CD2-CD1 4.39Å; L793-L796 PolarHBondContact O-N 3.45Å; L793-S797 WeakPolarHBondContact O-CB 3.43Å; L793-S797 PolarHBondContact O-N 3.16Å |
| 794 | V | 78.8 | Confident | 69 | Low | 71 Ų | 71 | 64 Ų | 64 | 43% | 0.43 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.2 | -36.4 | 174.1 | 167.9 | 0 | 0 | 0 | 0 | 111.8 | N790 K791 I792 S797 K798 | N790-V794 WeakPolarHBondContact O-CB 3.43Å; N790-V794 VanDerWaalsContact O-CG2 3.23Å; N790-V794 WeakPolarHBondContact O-CG2 3.32Å; N790-V794 PolarHBondContact O-N 3.43Å; K791-V794 PolarHBondContact O-N 2.88Å; I792-V794 VanDerWaalsContact C-N 3.3Å; I792-V794 PolarHBondContact O-N 3.49Å; V794-S797 WeakPolarHBondContact CA-OG 3.48Å; V794-S797 PolarHBondContact O-N 2.82Å; V794-S797 PolarHBondContact O-OG 2.79Å; V794-K798 HydrophobicContact CG1-CD 4.46Å; V794-K798 WeakPolarHBondContact O-CG 3.44Å; V794-K798 PolarHBondContact O-N 3.32Å |
| 795 | Q | 73.7 | Confident | 67.3 | Low | 64 Ų | 64 | 62.5 Ų | 62.5 | 30% | 0.299 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64 | -48 | 171.9 | -75.3 | 168.4 | -35.2 | 0 | 0 | 111.1 | F753 K791 I792 S797 K798 S799 | F753-Q795 HydrophobicContact CD1-CB 4.07Å; F753-Q795 HydrophobicContact CE1-CB 4.15Å; K791-Q795 WeakPolarHBondContact O-CG 3.34Å; K791-Q795 PolarHBondContact O-N 3.37Å; I792-Q795 WeakPolarHBondContact O-CB 3.32Å; I792-Q795 PolarHBondContact O-N 2.91Å; I792-Q795 VanDerWaalsContact O-N 3.13Å; Q795-S797 PolarHBondContact O-N 2.96Å; Q795-K798 WeakPolarHBondContact O-CB 3.39Å; Q795-K798 PolarHBondContact O-N 3.03Å; Q795-S799 PolarHBondContact O-N 3.18Å |
| 796 | L | 72.3 | Confident | 65.4 | Low | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.6 | -31.6 | 171.9 | -77.6 | 166.6 | 0 | 0 | 0 | 113.5 | F753 V759 K764 V767 I792 L793 K798 S799 F802 | F753-L796 HydrophobicContact CE1-CD2 4.13Å; F753-L796 HydrophobicContact CE1-CG 4.04Å; F753-L796 HydrophobicContact CZ-CD1 4.23Å; F753-L796 HydrophobicContact CZ-CD2 3.74Å; F753-L796 HydrophobicContact CZ-CG 3.64Å; V759-L796 HydrophobicContact CG1-CD2 3.94Å; K764-L796 HydrophobicContact CG-CD2 4.09Å; V767-L796 HydrophobicContact CB-CD1 4.37Å; V767-L796 HydrophobicContact CG1-CD1 3.9Å; V767-L796 HydrophobicContact CG2-CD1 4.43Å; I792-L796 HydrophobicContact CG2-CD1 4.1Å; I792-L796 WeakPolarHBondContact O-CB 3.26Å; I792-L796 WeakPolarHBondContact O-CG 3.42Å; I792-L796 PolarHBondContact O-N 3.25Å; L793-L796 HydrophobicContact CD2-CD1 4.39Å; L793-L796 PolarHBondContact O-N 3.45Å; L796-K798 VanDerWaalsContact C-N 3.31Å; L796-S799 PolarHBondContact O-OG 2.8Å; L796-S799 VanDerWaalsContact O-OG 3.1Å; L796-F802 HydrophobicContact CB-CD2 4.3Å |
| 797 | S | 71.7 | Confident | 63.1 | Low | 45 Ų | 45 | 69.7 Ų | 69.7 | 32% | 0.315 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -16.5 | 175.9 | 80.8 | 0 | 0 | 0 | 0 | 114.1 | L793 V794 Q795 | L793-S797 WeakPolarHBondContact O-CB 3.43Å; L793-S797 PolarHBondContact O-N 3.16Å; V794-S797 WeakPolarHBondContact CA-OG 3.48Å; V794-S797 PolarHBondContact O-N 2.82Å; V794-S797 PolarHBondContact O-OG 2.79Å; Q795-S797 PolarHBondContact O-N 2.96Å |
| 798 | K | 68.1 | Low | 60.7 | Low | 138 Ų | 138 | 72.3 Ų | 72.3 | 60% | 0.6 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -30.4 | 179.9 | -72.2 | 169.8 | -179.7 | 178.3 | 0 | 112.2 | V794 Q795 L796 | V794-K798 HydrophobicContact CG1-CD 4.46Å; V794-K798 WeakPolarHBondContact O-CG 3.44Å; V794-K798 PolarHBondContact O-N 3.32Å; Q795-K798 WeakPolarHBondContact O-CB 3.39Å; Q795-K798 PolarHBondContact O-N 3.03Å; L796-K798 VanDerWaalsContact C-N 3.31Å |
| 799 | S | 60.2 | Low | 58.1 | Low | 39 Ų | 39 | 79 Ų | 79 | 27% | 0.273 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -66.2 | 135 | 158.8 | 50.4 | 0 | 0 | 0 | 0 | 108.5 | Q795 L796 E801 | Q795-S799 PolarHBondContact O-N 3.18Å; L796-S799 PolarHBondContact O-OG 2.8Å; L796-S799 VanDerWaalsContact O-OG 3.1Å; S799-E801 PolarHBondContact O-N 3.33Å |
| 800 | N | 52.1 | Low | 55.4 | Low | 167 Ų | 167 | 84 Ų | 84 | 89% | 0.893 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | 19.3 | -172.2 | -103.5 | -10.4 | 0 | 0 | 0 | 114.5 | ||
| 801 | E | 48.8 | Very low | 52.8 | Low | 90 Ų | 90 | 84.9 Ų | 84.9 | 42% | 0.421 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -3.5 | -173.9 | -58.5 | -176 | 100.2 | 0 | 0 | 113.7 | K764 S799 T803 S804 | K764-E801 WeakPolarHBondContact CE-OE2 3.3Å; K764-E801 IonicContact NZ-OE1 2.95Å; K764-E801 PolarHBondContact NZ-OE1 2.92Å; K764-E801 IonicContact NZ-OE2 2.7Å; K764-E801 PolarHBondContact NZ-OE2 2.95Å; S799-E801 PolarHBondContact O-N 3.33Å; E801-T803 PolarHBondContact O-N 2.66Å; E801-T803 VanDerWaalsContact O-N 3.08Å; E801-S804 PolarHBondContact O-N 2.95Å; E801-S804 PolarHBondContact O-OG 3.47Å |
| 802 | F | 42.7 | Very low | 50 | Low | 74 Ų | 74 | 91.5 Ų | 91.5 | 33% | 0.325 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -60.3 | -20.7 | -176.3 | -158.4 | -95.8 | 0 | 0 | 0 | 114 | L796 S804 L805 T806 | L796-F802 HydrophobicContact CB-CD2 4.3Å; F802-S804 PolarHBondContact O-N 2.55Å; F802-S804 VanDerWaalsContact O-N 3.14Å; F802-L805 HydrophobicContact CD2-CB 4.38Å; F802-L805 HydrophobicContact CD2-CD1 3.78Å; F802-L805 HydrophobicContact CE2-CB 4.42Å; F802-L805 HydrophobicContact CE2-CD1 4.19Å; F802-L805 HydrophobicContact CG-CD1 4.41Å; F802-L805 WeakPolarHBondContact O-CB 3.48Å; F802-L805 PolarHBondContact O-N 3.34Å; F802-T806 HydrophobicContact CE1-CG2 4.05Å |
| 803 | T | 47.6 | Very low | 47.5 | Very low | 102 Ų | 102 | 97.8 Ų | 97.8 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -62.2 | -14.3 | 172.5 | 43.1 | 0 | 0 | 0 | 0 | 114 | E801 N807 | E801-T803 PolarHBondContact O-N 2.66Å; E801-T803 VanDerWaalsContact O-N 3.08Å; T803-N807 PolarHBondContact O-ND2 3.07Å |
| 804 | S | 46.4 | Very low | 44.9 | Very low | 64 Ų | 64 | 103.2 Ų | 103.2 | 45% | 0.448 | 55% | 0.55 | S | S | . | . | G | 310 helix | trans | -90 | -10.8 | 170 | 70.4 | 0 | 0 | 0 | 0 | 114.3 | K768 E801 F802 | K768-S804 PolarHBondContact NZ-O 2.88Å; E801-S804 PolarHBondContact O-N 2.95Å; E801-S804 PolarHBondContact O-OG 3.47Å; F802-S804 PolarHBondContact O-N 2.55Å; F802-S804 VanDerWaalsContact O-N 3.14Å |
| 805 | L | 37.2 | Very low | 42.2 | Very low | 31 Ų | 31 | 107.9 Ų | 107.9 | 16% | 0.162 | 57% | 0.567 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -84.7 | -28.1 | 178.5 | -86.6 | 130.5 | 0 | 0 | 0 | 112.6 | K768 F802 | K768-L805 HydrophobicContact CD-CD2 4.24Å; K768-L805 HydrophobicContact CG-CD2 3.89Å; F802-L805 HydrophobicContact CD2-CB 4.38Å; F802-L805 HydrophobicContact CD2-CD1 3.78Å; F802-L805 HydrophobicContact CE2-CB 4.42Å; F802-L805 HydrophobicContact CE2-CD1 4.19Å; F802-L805 HydrophobicContact CG-CD1 4.41Å; F802-L805 WeakPolarHBondContact O-CB 3.48Å; F802-L805 PolarHBondContact O-N 3.34Å |
| 806 | T | 34.6 | Very low | 39.8 | Very low | 94 Ų | 94 | 109.2 Ų | 109.2 | 58% | 0.577 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -102.3 | -10.5 | -178.2 | 53.2 | 0 | 0 | 0 | 0 | 115.2 | F802 T808 | F802-T806 HydrophobicContact CE1-CG2 4.05Å; T806-T808 VanDerWaalsContact C-N 3.27Å; T806-T808 PolarHBondContact O-N 2.82Å |
| 807 | N | 28.5 | Very low | 37.4 | Very low | 136 Ų | 136 | 120.6 Ų | 120.6 | 73% | 0.727 | 63% | 0.626 | S | S | * | * | trans | -80.4 | 69.3 | 177.5 | -84.1 | -16.2 | 0 | 0 | 0 | 112.7 | T803 | T803-N807 PolarHBondContact O-ND2 3.07Š| ||
| 808 | T | 28.3 | Very low | 35.2 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 69% | 0.693 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -124.7 | 98.7 | 152.1 | 46 | 0 | 0 | 0 | 0 | 108 | T806 S810 | T806-T808 VanDerWaalsContact C-N 3.27Å; T806-T808 PolarHBondContact O-N 2.82Å; T808-S810 PolarHBondContact O-N 3.05Å |
| 809 | E | 24.9 | Very low | 33.2 | Very low | 191 Ų | 191 | 127 Ų | 127 | 89% | 0.893 | 66% | 0.662 | S | S | * | * | trans | 21.2 | 83.3 | 162.8 | -60.7 | -175.3 | 159.8 | 0 | 0 | 115.5 | ||||
| 810 | S | 25.6 | Very low | 31.5 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 77% | 0.769 | 69% | 0.694 | S | S | * | * | trans | -58.1 | 121.8 | 167.6 | 37.1 | 0 | 0 | 0 | 0 | 109.2 | T808 R812 | T808-S810 PolarHBondContact O-N 3.05Å; S810-R812 PolarHBondContact O-N 3.13Å | ||
| 811 | P | 25.1 | Very low | 30.3 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | trans | -61.8 | 137.9 | -177.6 | 25.6 | -33.9 | 0 | 0 | 0 | 108.8 | I813 | P811-I813 PolarHBondContact O-N 2.85Š| ||
| 812 | R | 23.1 | Very low | 29.1 | Very low | 243 Ų | 243 | 134.3 Ų | 134.3 | 92% | 0.917 | 70% | 0.7 | S | S | * | * | trans | -52.1 | 94.2 | -172.1 | -69.4 | 176.7 | 176.5 | 169.6 | -1.5 | 112.1 | S810 I814 | S810-R812 PolarHBondContact O-N 3.13Å; R812-I814 PolarHBondContact O-N 3.45Å; R812-I814 VanDerWaalsContact O-N 3.12Å | ||
| 813 | I | 27 | Very low | 28.2 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 68% | 0.682 | 73% | 0.73 | S | S | * | * | trans | -67.7 | 110.1 | 164.5 | -60.7 | 178.6 | 0 | 0 | 0 | 106.1 | P811 H815 | P811-I813 PolarHBondContact O-N 2.85Å; I813-H815 PolarHBondContact O-N 3.49Å | ||
| 814 | I | 25.7 | Very low | 27.2 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | trans | -72.7 | 79.8 | 178.9 | -57.9 | 176.6 | 0 | 0 | 0 | 108.3 | R812 S816 | R812-I814 PolarHBondContact O-N 3.45Å; R812-I814 VanDerWaalsContact O-N 3.12Å; I814-S816 PolarHBondContact O-N 2.83Å | ||
| 815 | H | 22.9 | Very low | 26.3 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 78% | 0.782 | 75% | 0.749 | S | S | * | * | trans | -81.2 | 93 | 164.3 | -87.2 | -63.3 | 0 | 0 | 0 | 109.5 | I813 | I813-H815 PolarHBondContact O-N 3.49Š| ||
| 816 | S | 22.4 | Very low | 25.6 | Very low | 92 Ų | 92 | 152 Ų | 152 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | trans | -138.3 | 130.8 | 155 | 73.7 | 0 | 0 | 0 | 0 | 109.4 | I814 | I814-S816 PolarHBondContact O-N 2.83Š| ||
| 817 | R | 23.5 | Very low | 25.2 | Very low | 241 Ų | 241 | 154.9 Ų | 154.9 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 67.7 | 84.1 | -179.7 | -62 | -178.6 | 170.6 | 167.9 | -1.7 | 116.8 | ||
| 818 | Q | 25 | Very low | 25 | Very low | 188 Ų | 188 | 153.6 Ų | 153.6 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | 178.5 | 78.1 | 91.2 | -92.9 | -176.2 | -21.8 | 0 | 0 | 110.7 | |||||
| 819 | V | 24.7 | Very low | 24.6 | Very low | 131 Ų | 131 | 154.6 Ų | 154.6 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -133.9 | 70 | 163.6 | -171.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 820 | E | 25.6 | Very low | 24.6 | Very low | 201 Ų | 201 | 153.8 Ų | 153.8 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | trans | -120.3 | 11.7 | 171.7 | -140.9 | 168.9 | -142.2 | 0 | 0 | 111.7 | ||||
| 821 | S | 26.3 | Very low | 24.4 | Very low | 90 Ų | 90 | 154.7 Ų | 154.7 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -118.5 | 139.4 | 161.7 | 57.4 | 0 | 0 | 0 | 0 | 108.2 | ||
| 822 | L | 23.6 | Very low | 24.2 | Very low | 157 Ų | 157 | 154.9 Ų | 154.9 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | 87.1 | 25.4 | -174 | -48.1 | 176.2 | 0 | 0 | 0 | 117 | S824 | L822-S824 PolarHBondContact O-N 3.47Š| ||
| 823 | Q | 24.3 | Very low | 24.1 | Very low | 202 Ų | 202 | 151.6 Ų | 151.6 | 94% | 0.944 | 79% | 0.791 | S | S | * | * | trans | -81.1 | 65.2 | 144.9 | -79.9 | -163.7 | -5.6 | 0 | 0 | 110.8 | ||||
| 824 | S | 26.2 | Very low | 23.9 | Very low | 87 Ų | 87 | 151.9 Ų | 151.9 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | trans | -160.5 | 65.4 | 168.6 | 65.1 | 0 | 0 | 0 | 0 | 111.6 | L822 | L822-S824 PolarHBondContact O-N 3.47Š| ||
| 825 | N | 27.2 | Very low | 23.7 | Very low | 165 Ų | 165 | 151.6 Ų | 151.6 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | -173.9 | 78.5 | 147.1 | -93 | -20.1 | 0 | 0 | 0 | 109.4 | N827 | N825-N827 PolarHBondContact O-N 2.95Š| ||
| 826 | Q | 23.9 | Very low | 23.6 | Very low | 188 Ų | 188 | 153.2 Ų | 153.2 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | -63.9 | 118.2 | 151.7 | -68.6 | 178 | -12 | 0 | 0 | 107.2 | ||||
| 827 | N | 24.9 | Very low | 23.7 | Very low | 156 Ų | 156 | 154.6 Ų | 154.6 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -171.9 | 144.7 | 141.8 | -95.5 | -30.3 | 0 | 0 | 0 | 112.5 | N825 | N825-N827 PolarHBondContact O-N 2.95Š| ||
| 828 | S | 24.1 | Very low | 23.8 | Very low | 108 Ų | 108 | 148.7 Ų | 148.7 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | 48.4 | 93.6 | 166.7 | 58.5 | 0 | 0 | 0 | 0 | 118.2 | Q830 | S828-Q830 PolarHBondContact O-N 2.84Š| ||
| 829 | V | 20.3 | Very low | 23.9 | Very low | 134 Ų | 134 | 145.5 Ų | 145.5 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -53.5 | 122.1 | 142.3 | 172.4 | 0 | 0 | 0 | 0 | 109.3 | V831 | V829-V831 HydrophobicContact CG1-CG2 4.43Š| ||
| 830 | Q | 24.7 | Very low | 23.9 | Very low | 175 Ų | 175 | 147.6 Ų | 147.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -140.4 | 123.1 | 142.9 | -79.3 | -148.7 | -12 | 0 | 0 | 110.5 | S828 S832 | S828-Q830 PolarHBondContact O-N 2.84Å; Q830-S832 PolarHBondContact O-N 3.26Å | ||
| 831 | V | 21 | Very low | 24.1 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | trans | -86 | 97 | 178.3 | 175.8 | 0 | 0 | 0 | 0 | 108.6 | V829 R833 | V829-V831 HydrophobicContact CG1-CG2 4.43Å; V831-R833 PolarHBondContact O-N 3.01Å | ||
| 832 | S | 21.5 | Very low | 24.2 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -88.5 | 91.9 | 172.1 | -61.8 | 0 | 0 | 0 | 0 | 110.1 | Q830 | Q830-S832 PolarHBondContact O-N 3.26Š| ||
| 833 | R | 20.4 | Very low | 24.4 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | trans | -72.7 | 139.6 | -179.7 | -156.4 | 176.8 | -165.3 | 160.2 | 3.9 | 110.8 | V831 | V831-R833 PolarHBondContact O-N 3.01Š| ||
| 834 | N | 22.9 | Very low | 24.6 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | -7.5 | 138.4 | 165.6 | -53.2 | -6.2 | 0 | 0 | 0 | 118.7 | ||||
| 835 | T | 22.7 | Very low | 24.8 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 87% | 0.871 | 75% | 0.747 | S | S | * | * | -155.4 | 146.1 | 121.5 | 10 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 836 | Y | 20.6 | Very low | 25 | Very low | 203 Ų | 203 | 135.6 Ų | 135.6 | 80% | 0.796 | 73% | 0.731 | S | S | * | * | trans | -60.7 | 153.6 | 175.2 | -68.5 | -106 | 0 | 0 | 0 | 113.7 | ||||
| 837 | P | 24.6 | Very low | 25.2 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 79% | 0.792 | 72% | 0.721 | S | S | * | * | trans | -107.2 | 97.8 | 141.3 | 33 | -22.7 | 0 | 0 | 0 | 109.9 | N839 | P837-N839 PolarHBondContact O-N 3.35Š| ||
| 838 | V | 24.4 | Very low | 25.6 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 71% | 0.709 | 71% | 0.711 | S | S | * | * | trans | -66.3 | 125.5 | 156.8 | 170.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 839 | N | 27.1 | Very low | 25.9 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 65% | 0.647 | 70% | 0.701 | S | S | * | * | trans | -154.3 | 60.9 | 163.6 | -142.3 | -2.4 | 0 | 0 | 0 | 113.1 | P837 S841 | P837-N839 PolarHBondContact O-N 3.35Å; N839-S841 PolarHBondContact O-N 3.26Å; N839-S841 PolarHBondContact OD1-OG 3.3Å | ||
| 840 | E | 25.9 | Very low | 26.4 | Very low | 175 Ų | 175 | 127.2 Ų | 127.2 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 15.9 | 174.3 | -68.9 | -175.8 | 131.8 | 0 | 0 | 114 | N842 | E840-N842 PolarHBondContact O-N 2.92Š|
| 841 | S | 29.4 | Very low | 26.5 | Very low | 69 Ų | 69 | 126 Ų | 126 | 48% | 0.483 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.9 | -15.5 | -178.5 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | N839 | N839-S841 PolarHBondContact O-N 3.26Å; N839-S841 PolarHBondContact OD1-OG 3.3Å |
| 842 | N | 28.6 | Very low | 26.8 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 62% | 0.615 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -101.6 | -9.8 | -174.9 | -77 | -21.2 | 0 | 0 | 0 | 115.6 | E840 | E840-N842 PolarHBondContact O-N 2.92Š|
| 843 | A | 28.2 | Very low | 27.1 | Very low | 70 Ų | 70 | 126.2 Ų | 126.2 | 58% | 0.579 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -73.4 | -34.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N845 S846 | A843-N845 VanDerWaalsContact C-N 3.31Å; A843-N845 PolarHBondContact O-N 2.85Å; A843-S846 PolarHBondContact O-N 3.01Å |
| 844 | Y | 28 | Very low | 27.3 | Very low | 200 Ų | 200 | 123.4 Ų | 123.4 | 78% | 0.784 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -66.4 | -29.2 | -174.5 | -155 | -96.7 | 0 | 0 | 0 | 113.7 | S846 | Y844-S846 VanDerWaalsContact C-N 3.32Å; Y844-S846 PolarHBondContact O-N 3.04Å |
| 845 | N | 30.7 | Very low | 27.5 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 63% | 0.631 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -78.9 | -10 | 179.8 | -72.7 | -25.6 | 0 | 0 | 0 | 114.2 | A843 | A843-N845 VanDerWaalsContact C-N 3.31Å; A843-N845 PolarHBondContact O-N 2.85Å |
| 846 | S | 31.6 | Very low | 27.4 | Very low | 78 Ų | 78 | 122.8 Ų | 122.8 | 55% | 0.545 | 70% | 0.702 | S | S | . | * | G | 310 helix | trans | -87.9 | -13.2 | 179.2 | -60.8 | 0 | 0 | 0 | 0 | 113.9 | A843 Y844 S849 | A843-S846 PolarHBondContact O-N 3.01Å; Y844-S846 VanDerWaalsContact C-N 3.32Å; Y844-S846 PolarHBondContact O-N 3.04Å; S846-S849 PolarHBondContact O-OG 2.79Å |
| 847 | I | 28.5 | Very low | 27.7 | Very low | 130 Ų | 130 | 121.5 Ų | 121.5 | 67% | 0.667 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -24.5 | 179.6 | -62 | 178.3 | 0 | 0 | 0 | 111.6 | S849 | I847-S849 VanDerWaalsContact C-N 3.29Å; I847-S849 PolarHBondContact O-N 3.02Å |
| 848 | S | 31.6 | Very low | 27.6 | Very low | 89 Ų | 89 | 123.6 Ų | 123.6 | 62% | 0.622 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -17.8 | 178 | -162.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 849 | S | 31.9 | Very low | 27.7 | Very low | 77 Ų | 77 | 126.1 Ų | 126.1 | 54% | 0.538 | 71% | 0.706 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.6 | -22.9 | 178.7 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | S846 I847 | S846-S849 PolarHBondContact O-OG 2.79Å; I847-S849 VanDerWaalsContact C-N 3.29Å; I847-S849 PolarHBondContact O-N 3.02Å |
| 850 | V | 30.1 | Very low | 27.8 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -18.7 | -173.7 | -178.4 | 0 | 0 | 0 | 0 | 112.7 | N852 | V850-N852 VanDerWaalsContact C-N 3.31Å; V850-N852 PolarHBondContact O-N 3.37Å |
| 851 | L | 26.2 | Very low | 27.6 | Very low | 151 Ų | 151 | 123.1 Ų | 123.1 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 4.3 | 175.5 | -85.7 | 163.6 | 0 | 0 | 0 | 114.6 | ||
| 852 | N | 27.4 | Very low | 27.4 | Very low | 145 Ų | 145 | 126 Ų | 126 | 78% | 0.775 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -133.6 | 50.1 | -177.2 | -79.5 | -48.2 | 0 | 0 | 0 | 113.7 | V850 | V850-N852 VanDerWaalsContact C-N 3.31Å; V850-N852 PolarHBondContact O-N 3.37Å |
| 853 | S | 27.5 | Very low | 27 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | trans | -143.3 | 92 | 160.8 | 63.9 | 0 | 0 | 0 | 0 | 112 | D855 | S853-D855 PolarHBondContact O-N 3.09Š| ||
| 854 | S | 24.7 | Very low | 26.7 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | -70.5 | 109.7 | 164.8 | 52.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 855 | D | 27.8 | Very low | 26.5 | Very low | 165 Ų | 165 | 123.9 Ų | 123.9 | 88% | 0.882 | 73% | 0.734 | S | S | * | * | trans | -164.5 | 92.7 | 151.5 | -98.8 | -32.2 | 0 | 0 | 0 | 109.9 | S853 | S853-D855 PolarHBondContact O-N 3.09Š| ||
| 856 | A | 21.4 | Very low | 26 | Very low | 103 Ų | 103 | 125.4 Ų | 125.4 | 85% | 0.851 | 74% | 0.741 | S | S | * | * | trans | -97.7 | 110 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 857 | K | 25.5 | Very low | 25.6 | Very low | 176 Ų | 176 | 127 Ų | 127 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | trans | -142 | 127.8 | 165.3 | -75.9 | -162.5 | 173.6 | -168.1 | 0 | 113.6 | ||||
| 858 | E | 24.1 | Very low | 25.2 | Very low | 165 Ų | 165 | 129.2 Ų | 129.2 | 77% | 0.771 | 75% | 0.754 | S | S | * | * | trans | 72.6 | 105 | 145.2 | -67.9 | 160.3 | -145.1 | 0 | 0 | 119 | ||||
| 859 | M | 26.6 | Very low | 24.7 | Very low | 171 Ų | 171 | 131.7 Ų | 131.7 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | trans | -50.7 | 152.9 | 150.4 | -78.9 | -126.8 | -174.2 | 0 | 0 | 111.5 | ||||
| 860 | P | 28.8 | Very low | 24.2 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | -143 | 143.8 | 101.2 | 34.6 | -19.5 | 0 | 0 | 0 | 116.1 | |||||
| 861 | T | 21.7 | Very low | 23.9 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | trans | -57 | 147.1 | 157.6 | 47.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 862 | T | 24.1 | Very low | 23.8 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | -177.8 | 126.2 | 123.3 | 30.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 863 | V | 21.2 | Very low | 23.5 | Very low | 130 Ų | 130 | 136 Ų | 136 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | trans | 62.2 | 113.5 | 131.5 | -175 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 864 | S | 22.2 | Very low | 23.4 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | -24.3 | 148.4 | 154.2 | 55.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 865 | S | 22.3 | Very low | 23.3 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -161.5 | 124.1 | 138.6 | -82.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 866 | I | 21.7 | Very low | 23.1 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | 48.4 | 100.7 | 137 | -59.1 | 171.4 | 0 | 0 | 0 | 116.7 | ||||
| 867 | V | 21.4 | Very low | 23 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 67% | 0.673 | 76% | 0.76 | S | S | * | * | 75.2 | 112.1 | 78.3 | 166.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 868 | Q | 22.1 | Very low | 22.7 | Very low | 176 Ų | 176 | 132.9 Ų | 132.9 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | 61.6 | 144 | 147.8 | -73.9 | 173.7 | -5.2 | 0 | 0 | 118.5 | ||||
| 869 | M | 20.7 | Very low | 22.7 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | cis | -174.2 | 178.7 | 31.3 | -125.1 | -123.9 | -72.7 | 0 | 0 | 109.3 | ||||
| 870 | N | 21.4 | Very low | 22.5 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 61% | 0.61 | 75% | 0.753 | S | S | * | * | trans | 70.7 | 140.1 | 161.5 | -58.2 | -32.9 | 0 | 0 | 0 | 117.4 | ||||
| 871 | N | 22.6 | Very low | 22.1 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | cis | -164.3 | 145.6 | -7.2 | -105.1 | -29.6 | 0 | 0 | 0 | 107.1 | ||||
| 872 | L | 24.2 | Very low | 22.2 | Very low | 173 Ų | 173 | 130.8 Ų | 130.8 | 91% | 0.906 | 76% | 0.758 | S | S | * | * | trans | -174.4 | 103.6 | 142.6 | -103.5 | 162.6 | 0 | 0 | 0 | 111.9 | ||||
| 873 | H | 21.5 | Very low | 22.2 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 130.5 | 176.4 | -124.1 | -95.1 | 0 | 0 | 0 | 111.7 | ||
| 874 | P | 25.6 | Very low | 22.2 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -92 | 119.1 | 155.8 | 2 | 17.7 | 0 | 0 | 0 | 108.9 | ||
| 875 | N | 23.7 | Very low | 22.3 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 147.9 | -174.6 | -85.6 | -22.4 | 0 | 0 | 0 | 114.1 | ||
| 876 | S | 21.6 | Very low | 22.3 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 134.3 | 165.4 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | ||
| 877 | C | 19.8 | Very low | 22.3 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -131.7 | 103.4 | 151.9 | -160.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 878 | S | 20.1 | Very low | 22.2 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | -78.1 | 124.3 | -179 | 50.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 879 | V | 22.9 | Very low | 22.2 | Very low | 134 Ų | 134 | 146 Ų | 146 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -111.5 | 98.1 | 163.6 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 880 | T | 22.5 | Very low | 22.3 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | trans | -75.5 | 119.4 | 179.3 | 47.2 | 0 | 0 | 0 | 0 | 111.3 | N882 | T880-N882 PolarHBondContact O-N 3.25Š| ||
| 881 | T | 22 | Very low | 22.4 | Very low | 136 Ų | 136 | 149.3 Ų | 149.3 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -87.7 | 103.4 | 169.8 | 50.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 882 | N | 21.8 | Very low | 22.5 | Very low | 138 Ų | 138 | 149.6 Ų | 149.6 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | trans | -118 | 159 | 167.9 | -91.2 | -25.1 | 0 | 0 | 0 | 109.8 | T880 | T880-N882 PolarHBondContact O-N 3.25Š| ||
| 883 | N | 24.2 | Very low | 22.5 | Very low | 154 Ų | 154 | 146 Ų | 146 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | 77.2 | 115.1 | -172.9 | -44.6 | -22 | 0 | 0 | 0 | 111.3 | ||||
| 884 | K | 23.1 | Very low | 22.5 | Very low | 191 Ų | 191 | 146.8 Ų | 146.8 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | cis | 58.3 | 137 | 49.3 | -66.9 | -170.3 | 174.8 | 177.9 | 0 | 113.8 | ||||
| 885 | D | 23.1 | Very low | 22.5 | Very low | 149 Ų | 149 | 147.6 Ų | 147.6 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | 87.2 | 152.3 | 175.3 | -49.1 | -22.8 | 0 | 0 | 0 | 117.4 | ||||
| 886 | T | 22.5 | Very low | 22.6 | Very low | 137 Ų | 137 | 146.7 Ų | 146.7 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | 73.9 | 77.9 | -171.8 | 65.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 887 | E | 20.9 | Very low | 22.8 | Very low | 197 Ų | 197 | 149.1 Ų | 149.1 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | 53.6 | 122 | 81.6 | -73.4 | -163.7 | 141.8 | 0 | 0 | 116.4 | L889 | E887-L889 PolarHBondContact O-N 3.49Š| |||
| 888 | Y | 20.2 | Very low | 23 | Very low | 227 Ų | 227 | 150 Ų | 150 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | trans | -62 | 118.2 | 177 | -91.8 | -119.9 | 0 | 0 | 0 | 112.5 | ||||
| 889 | L | 22.7 | Very low | 23.2 | Very low | 173 Ų | 173 | 154.3 Ų | 154.3 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | -93.5 | 94.8 | 156.7 | -93.9 | 166.5 | 0 | 0 | 0 | 110.3 | E887 L891 | E887-L889 PolarHBondContact O-N 3.49Å; L889-L891 PolarHBondContact O-N 2.88Å | ||
| 890 | Q | 22 | Very low | 23.4 | Very low | 154 Ų | 154 | 156 Ų | 156 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | trans | -60.5 | 110.7 | 164.5 | -68.6 | 176 | -25.4 | 0 | 0 | 109.7 | ||||
| 891 | L | 22.8 | Very low | 23.5 | Very low | 170 Ų | 170 | 159.4 Ų | 159.4 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | -99.8 | 95.6 | 166.4 | -161.8 | 69.6 | 0 | 0 | 0 | 110.5 | L889 A893 | L889-L891 PolarHBondContact O-N 2.88Å; L891-A893 PolarHBondContact O-N 2.72Å | ||
| 892 | N | 25.2 | Very low | 23.6 | Very low | 135 Ų | 135 | 157.9 Ų | 157.9 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | trans | -61 | 117.3 | 176.9 | -67.1 | -61.8 | 0 | 0 | 0 | 111.7 | ||||
| 893 | A | 24.6 | Very low | 23.7 | Very low | 98 Ų | 98 | 158.2 Ų | 158.2 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | trans | -127.8 | 15.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L891 | L891-A893 PolarHBondContact O-N 2.72Š| ||
| 894 | M | 22.1 | Very low | 23.7 | Very low | 178 Ų | 178 | 155.8 Ų | 155.8 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | trans | -120.8 | 65.8 | -172.9 | -158.9 | 74.5 | 168.3 | 0 | 0 | 111.6 | ||||
| 895 | N | 24.7 | Very low | 23.6 | Very low | 137 Ų | 137 | 156 Ų | 156 | 73% | 0.733 | 83% | 0.827 | S | S | * | * | trans | -147.8 | 6.2 | 175.7 | -107.2 | -29.9 | 0 | 0 | 0 | 116.2 | ||||
| 896 | S | 25.2 | Very low | 23.7 | Very low | 119 Ų | 119 | 156 Ų | 156 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -99.9 | 7.5 | -171.1 | -57.1 | 0 | 0 | 0 | 0 | 116.1 | ||
| 897 | I | 25.8 | Very low | 23.6 | Very low | 162 Ų | 162 | 154.8 Ų | 154.8 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | trans | -129.5 | 62.2 | -179.9 | -45.7 | -178.1 | 0 | 0 | 0 | 110.8 | ||||
| 898 | N | 24.1 | Very low | 23.7 | Very low | 144 Ų | 144 | 152.8 Ų | 152.8 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | trans | -129.5 | 24.9 | 169.9 | -98.9 | -37.4 | 0 | 0 | 0 | 112.2 | ||||
| 899 | Q | 25.4 | Very low | 23.8 | Very low | 191 Ų | 191 | 147 Ų | 147 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | -112.8 | 55.2 | 176 | -70.5 | -164.8 | 0.9 | 0 | 0 | 113 | ||||
| 900 | I | 27.5 | Very low | 23.9 | Very low | 170 Ų | 170 | 145 Ų | 145 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -127.1 | 87.7 | 154.2 | -56.7 | -177.6 | 0 | 0 | 0 | 107.6 | ||||
| 901 | K | 23.9 | Very low | 23.9 | Very low | 187 Ų | 187 | 143.1 Ų | 143.1 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | -88.5 | 125.5 | 174.5 | -87.8 | -175.3 | 177 | 177.1 | 0 | 110.5 | ||||
| 902 | S | 23.4 | Very low | 24 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 45.8 | 94.1 | 140.2 | 64.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 903 | T | 23.7 | Very low | 23.9 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | trans | -169.3 | 145.4 | 131.9 | 17.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 904 | S | 24.2 | Very low | 23.8 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | cis | -148.5 | 152.5 | 0.9 | 44.1 | 0 | 0 | 0 | 0 | 109.4 | I906 | S904-I906 PolarHBondContact O-N 2.96Š| ||
| 905 | Q | 22 | Very low | 23.9 | Very low | 196 Ų | 196 | 140.2 Ų | 140.2 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -70.5 | 126.7 | 175.3 | -66.5 | 158 | -51.9 | 0 | 0 | 110 | ||||
| 906 | I | 24.5 | Very low | 23.8 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -111 | 99.5 | 155.2 | -63.6 | -179.8 | 0 | 0 | 0 | 106.6 | S904 I908 | S904-I906 PolarHBondContact O-N 2.96Å; I906-I908 HydrophobicContact CG2-CG1 4.49Å | ||
| 907 | S | 21.7 | Very low | 23.7 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -78.1 | 117.7 | 173.6 | 50.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 908 | I | 22.7 | Very low | 23.4 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -116.9 | 109.9 | 156.7 | -59.9 | 179.8 | 0 | 0 | 0 | 106.2 | I906 | I906-I908 HydrophobicContact CG2-CG1 4.49Š| ||
| 909 | S | 22 | Very low | 23.3 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 132.1 | 179.6 | 38.6 | 0 | 0 | 0 | 0 | 110.6 | S911 | S909-S911 PolarHBondContact O-N 2.78Š|
| 910 | P | 24.1 | Very low | 23.2 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 118 | 177.6 | 30.5 | -32 | 0 | 0 | 0 | 109.7 | ||
| 911 | S | 23.2 | Very low | 23 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 132.6 | 168.6 | 44.2 | 0 | 0 | 0 | 0 | 109.9 | S909 | S909-S911 PolarHBondContact O-N 2.78Š|
| 912 | S | 23.4 | Very low | 23 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 144.2 | 172.9 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 913 | V | 24.2 | Very low | 22.9 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 74% | 0.739 | 73% | 0.731 | S | S | * | * | -154.7 | 125.5 | 123.9 | 155.8 | 0 | 0 | 0 | 0 | 108.4 | T915 | V913-T915 HydrophobicContact CG1-CG2 4.43Š| |||
| 914 | N | 22.4 | Very low | 23 | Very low | 165 Ų | 165 | 124.1 Ų | 124.1 | 88% | 0.882 | 72% | 0.719 | S | S | * | * | trans | -88.1 | 125.7 | 159.2 | -81.2 | -14.1 | 0 | 0 | 0 | 108.4 | ||||
| 915 | T | 24.1 | Very low | 22.8 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | trans | -151.9 | 132.2 | 156.5 | 32.3 | 0 | 0 | 0 | 0 | 109.5 | V913 | V913-T915 HydrophobicContact CG1-CG2 4.43Š| ||
| 916 | P | 22.4 | Very low | 23 | Very low | 118 Ų | 118 | 123.7 Ų | 123.7 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | trans | -81.1 | 150.8 | -171.7 | 32.2 | -35.4 | 0 | 0 | 0 | 114.1 | R918 | P916-R918 PolarHBondContact O-N 3.28Š| ||
| 917 | I | 22.8 | Very low | 23.1 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 57% | 0.569 | 71% | 0.706 | S | S | * | * | trans | -39.4 | 116.9 | 179.6 | -50.2 | -179.4 | 0 | 0 | 0 | 113.4 | E586 | E586-I917 WeakPolarHBondContact OE1-CG1 3.44Å; E586-I917 WeakPolarHBondContact OE2-CD1 3.43Å; E586-I917 WeakPolarHBondContact OE2-CG1 3.45Å | ||
| 918 | R | 20.5 | Very low | 23.2 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 49% | 0.494 | 71% | 0.708 | S | S | . | * | trans | -111.9 | 107.8 | 164.5 | -167.9 | 175.6 | -177.9 | -157.8 | -4.2 | 108.1 | K157 D158 P916 I920 | K157-R918 PolarHBondContact O-NH2 2.93Å; D158-R918 IonicContact OD2-CZ 3.69Å; D158-R918 IonicContact OD2-NH2 3.85Å; D158-R918 PolarHBondContact OD2-NH2 2.8Å; P916-R918 PolarHBondContact O-N 3.28Å; R918-I920 VanDerWaalsContact C-N 3.31Å; R918-I920 HydrophobicContact CB-CG1 4.36Å; R918-I920 HydrophobicContact CG-CD1 4.3Å; R918-I920 HydrophobicContact CG-CG1 3.87Å; R918-I920 PolarHBondContact O-N 3.4Å | ||
| 919 | S | 21.5 | Very low | 23.3 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | trans | -73.9 | 79 | -177.9 | 58.2 | 0 | 0 | 0 | 0 | 111.7 | Y921 | S919-Y921 PolarHBondContact O-N 3.41Š| ||
| 920 | I | 22.4 | Very low | 23.3 | Very low | 83 Ų | 83 | 128 Ų | 128 | 43% | 0.426 | 71% | 0.71 | S | S | . | * | trans | -84.1 | 113 | -178.7 | -55.4 | 179 | 0 | 0 | 0 | 109.7 | R918 V922 | R918-I920 VanDerWaalsContact C-N 3.31Å; R918-I920 HydrophobicContact CB-CG1 4.36Å; R918-I920 HydrophobicContact CG-CD1 4.3Å; R918-I920 HydrophobicContact CG-CG1 3.87Å; R918-I920 PolarHBondContact O-N 3.4Å; I920-V922 VanDerWaalsContact C-N 3.28Å; I920-V922 HydrophobicContact CB-CG2 4.16Å; I920-V922 HydrophobicContact CG2-CG2 3.64Å; I920-V922 PolarHBondContact O-N 2.9Å | ||
| 921 | Y | 23.8 | Very low | 23.1 | Very low | 171 Ų | 171 | 130.5 Ų | 130.5 | 67% | 0.671 | 71% | 0.708 | S | S | * | * | trans | -70.3 | 90.2 | 158.1 | -86.5 | -107.1 | 0 | 0 | 0 | 108.1 | S919 T923 | S919-Y921 PolarHBondContact O-N 3.41Å; Y921-T923 PolarHBondContact O-N 2.79Å | ||
| 922 | V | 23.1 | Very low | 23 | Very low | 86 Ų | 86 | 132.5 Ų | 132.5 | 52% | 0.521 | 71% | 0.71 | S | S | . | * | trans | -69.2 | 92.1 | -179.7 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | I920 S924 | I920-V922 VanDerWaalsContact C-N 3.28Å; I920-V922 HydrophobicContact CB-CG2 4.16Å; I920-V922 HydrophobicContact CG2-CG2 3.64Å; I920-V922 PolarHBondContact O-N 2.9Å; V922-S924 PolarHBondContact O-N 2.96Å | ||
| 923 | T | 22.8 | Very low | 23 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 76% | 0.761 | 70% | 0.7 | S | S | * | * | trans | -78.5 | 108.6 | 153.7 | 51 | 0 | 0 | 0 | 0 | 107.6 | Y921 E925 | Y921-T923 PolarHBondContact O-N 2.79Å; T923-E925 PolarHBondContact O-N 2.61Å | ||
| 924 | S | 24.3 | Very low | 22.9 | Very low | 91 Ų | 91 | 131.8 Ų | 131.8 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | trans | -50.5 | 119 | -173.9 | -177.4 | 0 | 0 | 0 | 0 | 113.3 | V922 | V922-S924 PolarHBondContact O-N 2.96Š| ||
| 925 | E | 21.7 | Very low | 22.8 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | trans | -83.7 | 137.3 | 173.5 | -66.7 | -170.9 | 144.6 | 0 | 0 | 112.1 | T923 | T923-E925 PolarHBondContact O-N 2.61Š| ||
| 926 | N | 25.5 | Very low | 22.8 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 72% | 0.717 | 71% | 0.706 | S | S | * | * | trans | 11.5 | 100.2 | 154.8 | -71.1 | -65.4 | 0 | 0 | 0 | 119.4 | K928 | N926-K928 PolarHBondContact O-N 3.45Š| ||
| 927 | P | 25.7 | Very low | 22.8 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | trans | -86.7 | 95.3 | 142.4 | 31.7 | -27.2 | 0 | 0 | 0 | 109 | H929 | P927-H929 PolarHBondContact O-N 3.19Š| ||
| 928 | K | 24.6 | Very low | 22.9 | Very low | 185 Ų | 185 | 128.1 Ų | 128.1 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | trans | -68.5 | 79.1 | 170 | -73.2 | -179.5 | -179.8 | 172.9 | 0 | 110.8 | N926 | N926-K928 PolarHBondContact O-N 3.45Š| ||
| 929 | H | 23.6 | Very low | 23.2 | Very low | 163 Ų | 163 | 128.6 Ų | 128.6 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | trans | -126.9 | 116.3 | 165.7 | -88.4 | -76.3 | 0 | 0 | 0 | 111.1 | P927 F931 | P927-H929 PolarHBondContact O-N 3.19Å; H929-F931 PolarHBondContact O-N 3.11Å | ||
| 930 | N | 22.8 | Very low | 23.6 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 82% | 0.824 | 70% | 0.695 | S | S | * | * | trans | -59.7 | 99.1 | 176.6 | -73.3 | -27.6 | 0 | 0 | 0 | 111.3 | ||||
| 931 | F | 20.8 | Very low | 23.9 | Very low | 185 Ų | 185 | 129.7 Ų | 129.7 | 81% | 0.811 | 70% | 0.704 | S | S | * | * | trans | -100 | 75.4 | 156.9 | -90.8 | -79.8 | 0 | 0 | 0 | 110 | H929 S933 | H929-F931 PolarHBondContact O-N 3.11Å; F931-S933 PolarHBondContact O-N 3.13Å | ||
| 932 | N | 21.4 | Very low | 24.1 | Very low | 157 Ų | 157 | 128.7 Ų | 128.7 | 84% | 0.84 | 70% | 0.703 | S | S | * | * | trans | -71.5 | 80.8 | 163.5 | -83 | -14.2 | 0 | 0 | 0 | 109.6 | ||||
| 933 | S | 21.8 | Very low | 24.1 | Very low | 81 Ų | 81 | 128.1 Ų | 128.1 | 57% | 0.566 | 70% | 0.703 | S | S | * | * | trans | -142.5 | 86.6 | 156.9 | 58.1 | 0 | 0 | 0 | 0 | 110 | F931 L935 | F931-S933 PolarHBondContact O-N 3.13Å; S933-L935 PolarHBondContact O-N 3.05Å | ||
| 934 | T | 22.2 | Very low | 24.4 | Very low | 137 Ų | 137 | 129 Ų | 129 | 84% | 0.84 | 70% | 0.696 | S | S | * | * | trans | -54.2 | 95.7 | 163.6 | 40.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 935 | L | 21.7 | Very low | 24.6 | Very low | 162 Ų | 162 | 128.9 Ų | 128.9 | 85% | 0.848 | 70% | 0.695 | S | S | * | * | trans | -111.2 | 69.4 | 161.3 | -83.4 | 169.1 | 0 | 0 | 0 | 109.1 | S933 C937 | S933-L935 PolarHBondContact O-N 3.05Å; L935-C937 PolarHBondContact O-N 3.28Å | ||
| 936 | S | 23.5 | Very low | 24.7 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | trans | -72.2 | 77.1 | 168.1 | 55 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 937 | C | 22 | Very low | 24.9 | Very low | 96 Ų | 96 | 128.5 Ų | 128.5 | 65% | 0.649 | 69% | 0.692 | S | S | * | * | trans | -87.3 | 108.4 | 163.3 | -173.4 | 0 | 0 | 0 | 0 | 108.4 | L935 | L935-C937 PolarHBondContact O-N 3.28Š| ||
| 938 | S | 25.3 | Very low | 25.1 | Very low | 66 Ų | 66 | 130.5 Ų | 130.5 | 46% | 0.462 | 70% | 0.697 | S | S | . | * | trans | -70.8 | 145.7 | -174.8 | 72.3 | 0 | 0 | 0 | 0 | 112.2 | T940 E941 | S938-T940 WeakPolarHBondContact CB-OG1 3.39Å; S938-T940 PolarHBondContact O-N 3.14Å; S938-T940 PolarHBondContact OG-OG1 3.16Å; S938-E941 PolarHBondContact O-N 3.34Å; S938-E941 VanDerWaalsContact O-N 3.16Å | ||
| 939 | L | 26.4 | Very low | 25 | Very low | 140 Ų | 140 | 125.6 Ų | 125.6 | 73% | 0.733 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.5 | -20.2 | 176 | -158.4 | 71.4 | 0 | 0 | 0 | 113.8 | E941 F942 C943 | L939-E941 VanDerWaalsContact C-N 3.3Å; L939-E941 PolarHBondContact O-N 2.91Å; L939-F942 PolarHBondContact O-N 3.24Å; L939-C943 PolarHBondContact O-N 2.82Å |
| 940 | T | 30.9 | Very low | 25.1 | Very low | 81 Ų | 81 | 123.9 Ų | 123.9 | 50% | 0.497 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -59.4 | -27.3 | 177.1 | -13.5 | 0 | 0 | 0 | 0 | 115.2 | S938 K944 | S938-T940 WeakPolarHBondContact CB-OG1 3.39Å; S938-T940 PolarHBondContact O-N 3.14Å; S938-T940 PolarHBondContact OG-OG1 3.16Å; T940-K944 WeakPolarHBondContact O-CG 3.42Å; T940-K944 PolarHBondContact O-N 3.3Å |
| 941 | E | 27.6 | Very low | 25.1 | Very low | 133 Ų | 133 | 119.6 Ų | 119.6 | 62% | 0.621 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -81.8 | -35.7 | 176.6 | -79.8 | -169.3 | 140.2 | 0 | 0 | 112.8 | S938 L939 C943 K944 S945 | S938-E941 PolarHBondContact O-N 3.34Å; S938-E941 VanDerWaalsContact O-N 3.16Å; L939-E941 VanDerWaalsContact C-N 3.3Å; L939-E941 PolarHBondContact O-N 2.91Å; E941-C943 PolarHBondContact O-N 3.31Å; E941-K944 PolarHBondContact O-N 3.23Å; E941-S945 PolarHBondContact O-N 3.43Å |
| 942 | F | 27.9 | Very low | 25.1 | Very low | 149 Ų | 149 | 117.3 Ų | 117.3 | 65% | 0.654 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -62.9 | -43.8 | 174.6 | -172.1 | -106.1 | 0 | 0 | 0 | 111.4 | L939 K944 S945 L946 | L939-F942 PolarHBondContact O-N 3.24Å; F942-K944 VanDerWaalsContact C-N 3.32Å; F942-K944 PolarHBondContact O-N 3.09Å; F942-S945 PolarHBondContact O-N 2.7Å; F942-L946 PolarHBondContact O-N 3.25Å |
| 943 | C | 24.4 | Very low | 25.2 | Very low | 75 Ų | 75 | 115.2 Ų | 115.2 | 51% | 0.507 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -64.8 | -32.2 | 176 | -64.7 | 0 | 0 | 0 | 0 | 113.4 | L939 E941 | L939-C943 PolarHBondContact O-N 2.82Å; E941-C943 PolarHBondContact O-N 3.31Å |
| 944 | K | 29.3 | Very low | 25.3 | Very low | 143 Ų | 143 | 116.8 Ų | 116.8 | 62% | 0.622 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -76.1 | -33.4 | 176.2 | -77.5 | 179.6 | 178.1 | -179.5 | 0 | 113.1 | T940 E941 F942 L946 Q947 | T940-K944 WeakPolarHBondContact O-CG 3.42Å; T940-K944 PolarHBondContact O-N 3.3Å; E941-K944 PolarHBondContact O-N 3.23Å; F942-K944 VanDerWaalsContact C-N 3.32Å; F942-K944 PolarHBondContact O-N 3.09Å; K944-L946 VanDerWaalsContact C-N 3.31Å; K944-L946 PolarHBondContact O-N 3.23Å; K944-Q947 PolarHBondContact O-N 3.47Å |
| 945 | S | 28.2 | Very low | 25.3 | Very low | 88 Ų | 88 | 114.7 Ų | 114.7 | 62% | 0.615 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -69.4 | -29.2 | 175.5 | -166.6 | 0 | 0 | 0 | 0 | 112.8 | E941 F942 Q947 | E941-S945 PolarHBondContact O-N 3.43Å; F942-S945 PolarHBondContact O-N 2.7Å; S945-Q947 VanDerWaalsContact C-N 3.31Å |
| 946 | L | 23.9 | Very low | 25.4 | Very low | 130 Ų | 130 | 113.6 Ų | 113.6 | 68% | 0.681 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -75.1 | -20.1 | 178.2 | -143.5 | 78.6 | 0 | 0 | 0 | 113.3 | F942 K944 | F942-L946 PolarHBondContact O-N 3.25Å; K944-L946 VanDerWaalsContact C-N 3.31Å; K944-L946 PolarHBondContact O-N 3.23Å |
| 947 | Q | 30 | Very low | 25.3 | Very low | 151 Ų | 151 | 115.9 Ų | 115.9 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -89 | -12.8 | -174.5 | -145.5 | 167.9 | 19.9 | 0 | 0 | 114.2 | K944 S945 | K944-Q947 PolarHBondContact O-N 3.47Å; S945-Q947 VanDerWaalsContact C-N 3.31Å |
| 948 | N | 28.2 | Very low | 25.3 | Very low | 149 Ų | 149 | 119 Ų | 119 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -111.2 | 11.2 | -178.1 | -77.9 | -10.7 | 0 | 0 | 0 | 114.4 | ||
| 949 | A | 24.5 | Very low | 25.2 | Very low | 82 Ų | 82 | 121.5 Ų | 121.5 | 68% | 0.678 | 70% | 0.702 | S | S | * | * | trans | -99.8 | 13.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | G951 | A949-G951 PolarHBondContact O-N 3.27Š| ||
| 950 | T | 23.7 | Very low | 25 | Very low | 127 Ų | 127 | 121.5 Ų | 121.5 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | trans | -76.9 | 66.8 | 174.6 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 951 | G | 22.8 | Very low | 24.6 | Very low | 64 Ų | 64 | 123.8 Ų | 123.8 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | trans | -114 | 67.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A949 P953 | A949-G951 PolarHBondContact O-N 3.27Å; G951-P953 WeakPolarHBondContact O-CD 3.44Å | ||
| 952 | V | 22.7 | Very low | 24.3 | Very low | 137 Ų | 137 | 121.4 Ų | 121.4 | 83% | 0.83 | 73% | 0.725 | S | S | * | * | trans | -78.3 | 113.9 | 179.6 | 177.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 953 | P | 22.6 | Very low | 23.9 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | trans | -82.7 | 125.5 | 172.8 | -4.5 | 25.3 | 0 | 0 | 0 | 109.4 | G951 | G951-P953 WeakPolarHBondContact O-CD 3.44Š| ||
| 954 | S | 22.8 | Very low | 23.7 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | -28.8 | 135.3 | 170.4 | 51.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 955 | A | 23.5 | Very low | 23.4 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | trans | -53.9 | 154.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 956 | N | 23 | Very low | 23.2 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | -158.7 | 132.8 | 147.8 | -109.3 | -36.6 | 0 | 0 | 0 | 112.6 | ||||
| 957 | Q | 22.6 | Very low | 23 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | 58.3 | 112.7 | 148.4 | -56.9 | 170.9 | 13.8 | 0 | 0 | 119.2 | ||||
| 958 | I | 21.8 | Very low | 22.6 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | -169.4 | 116 | 100 | -91.2 | 157.1 | 0 | 0 | 0 | 110.5 | |||||
| 959 | T | 23.4 | Very low | 22.3 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | trans | -0.7 | 120.9 | 163.1 | 47.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 960 | T | 21.7 | Very low | 22.2 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -43.3 | 145.4 | 137 | -28.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 961 | T | 22.8 | Very low | 22.1 | Very low | 129 Ų | 129 | 145 Ų | 145 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -146.9 | 132.4 | 157.3 | -4.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 962 | A | 21.7 | Very low | 22 | Very low | 83 Ų | 83 | 150.2 Ų | 150.2 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 57.6 | 85.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 963 | Y | 19.3 | Very low | 22 | Very low | 241 Ų | 241 | 150.3 Ų | 150.3 | 95% | 0.945 | 80% | 0.795 | S | S | * | * | -146.9 | 135.6 | 98.3 | -107.9 | -82.9 | 0 | 0 | 0 | 108.5 | |||||
| 964 | R | 20.2 | Very low | 22 | Very low | 219 Ų | 219 | 150.7 Ų | 150.7 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -145.5 | 151.8 | -163.7 | -148.9 | -169.3 | -171.6 | 169.8 | 3.1 | 110.1 | ||||
| 965 | Q | 22.7 | Very low | 21.9 | Very low | 154 Ų | 154 | 152.5 Ų | 152.5 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | 67.4 | 100.9 | 167.4 | -57 | 177.6 | -62.4 | 0 | 0 | 116.7 | ||||
| 966 | V | 23.2 | Very low | 21.7 | Very low | 152 Ų | 152 | 156.9 Ų | 156.9 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | -138.3 | 120.3 | 94.1 | -179.7 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 967 | D | 20.4 | Very low | 21.7 | Very low | 131 Ų | 131 | 157.9 Ų | 157.9 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -104.9 | 176.5 | -177.3 | -76.8 | -68.7 | 0 | 0 | 0 | 111.6 | ||||
| 968 | E | 21.8 | Very low | 21.7 | Very low | 184 Ų | 184 | 158.6 Ų | 158.6 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | 76.6 | 93.6 | 163.1 | -55 | -167.7 | 143.4 | 0 | 0 | 119.3 | ||||
| 969 | F | 21.7 | Very low | 22 | Very low | 218 Ų | 218 | 156.4 Ų | 156.4 | 96% | 0.956 | 80% | 0.795 | S | S | * | * | -150.7 | 159 | 120.7 | -119.5 | -83.6 | 0 | 0 | 0 | 110.7 | |||||
| 970 | L | 21.5 | Very low | 22 | Very low | 134 Ų | 134 | 156.3 Ų | 156.3 | 70% | 0.702 | 80% | 0.799 | S | S | * | * | trans | -126.2 | 140.4 | -138.4 | -162.4 | 77.7 | 0 | 0 | 0 | 114.9 | ||||
| 971 | Q | 21.4 | Very low | 22 | Very low | 155 Ų | 155 | 158.1 Ų | 158.1 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | trans | 44.5 | 128.2 | 151.2 | -71.7 | 165.4 | 0.9 | 0 | 0 | 122 | ||||
| 972 | I | 22.1 | Very low | 21.9 | Very low | 175 Ų | 175 | 157.3 Ų | 157.3 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | -158.8 | 143.5 | 120.6 | -96.7 | 150.5 | 0 | 0 | 0 | 110.7 | |||||
| 973 | N | 21.5 | Very low | 22 | Very low | 139 Ų | 139 | 158.6 Ų | 158.6 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | trans | -65.3 | 126.9 | -158.3 | -62 | -48.8 | 0 | 0 | 0 | 119.6 | ||||
| 974 | T | 22.2 | Very low | 22.2 | Very low | 122 Ų | 122 | 155.5 Ų | 155.5 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | 19 | 137.7 | 105.9 | -36.2 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 975 | L | 21.2 | Very low | 22.2 | Very low | 152 Ų | 152 | 156 Ų | 156 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | trans | -158 | 103.1 | 137 | -97.3 | 174.7 | 0 | 0 | 0 | 112.4 | ||||
| 976 | Y | 20 | Very low | 22.2 | Very low | 183 Ų | 183 | 156.4 Ų | 156.4 | 72% | 0.718 | 82% | 0.815 | S | S | * | * | trans | 48.1 | 115.2 | 160.3 | -55.9 | -64.7 | 0 | 0 | 0 | 122.9 | ||||
| 977 | L | 21.7 | Very low | 22.2 | Very low | 162 Ų | 162 | 157.1 Ų | 157.1 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | -158.1 | 164.9 | 84.2 | -121.4 | 97.9 | 0 | 0 | 0 | 112.2 | |||||
| 978 | F | 23.1 | Very low | 22.2 | Very low | 178 Ų | 178 | 156.7 Ų | 156.7 | 78% | 0.781 | 82% | 0.818 | S | S | * | * | trans | -59.3 | 159.6 | -152.3 | -76.5 | -95.4 | 0 | 0 | 0 | 120.6 | ||||
| 979 | P | 27.6 | Very low | 22.3 | Very low | 115 Ų | 115 | 155.4 Ų | 155.4 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | trans | -114.6 | 143.4 | -162.4 | 38.9 | -26.5 | 0 | 0 | 0 | 115.8 | ||||
| 980 | S | 24.7 | Very low | 22.6 | Very low | 117 Ų | 117 | 151.2 Ų | 151.2 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -161 | 50 | 151.8 | 70.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 981 | L | 21.2 | Very low | 22.8 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 93% | 0.932 | 82% | 0.817 | S | S | * | * | trans | -163.1 | 96.3 | 167.1 | -108.4 | 158.6 | 0 | 0 | 0 | 111 | ||||
| 982 | S | 21.4 | Very low | 22.8 | Very low | 112 Ų | 112 | 150.4 Ų | 150.4 | 78% | 0.783 | 82% | 0.821 | S | S | * | * | trans | -119.1 | 136.6 | 161.7 | 54.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 983 | S | 22.6 | Very low | 22.8 | Very low | 109 Ų | 109 | 148.3 Ų | 148.3 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | cis | -166.4 | 135.5 | 8 | 44.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 984 | L | 23.3 | Very low | 22.8 | Very low | 176 Ų | 176 | 148.9 Ų | 148.9 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -158 | 81.9 | 153.2 | -108.6 | 170.8 | 0 | 0 | 0 | 108.5 | ||||
| 985 | Y | 21.5 | Very low | 22.8 | Very low | 231 Ų | 231 | 150.7 Ų | 150.7 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | trans | -147.6 | 111 | 172.3 | -116.2 | -77.6 | 0 | 0 | 0 | 108.2 | ||||
| 986 | L | 21.9 | Very low | 23 | Very low | 161 Ų | 161 | 149.7 Ų | 149.7 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | -165.8 | 119 | 146.9 | -149.5 | 77.2 | 0 | 0 | 0 | 110.6 | ||||
| 987 | L | 22.7 | Very low | 23.4 | Very low | 167 Ų | 167 | 147.6 Ų | 147.6 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -168.3 | 102.4 | 130.8 | -129 | 82.6 | 0 | 0 | 0 | 108.6 | ||||
| 988 | C | 21.6 | Very low | 23.6 | Very low | 122 Ų | 122 | 150.8 Ų | 150.8 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | trans | -153.9 | 130.7 | 167.3 | -158.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 989 | L | 22.6 | Very low | 23.9 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 145.2 | -177.4 | -89.3 | 75.2 | 0 | 0 | 0 | 111.7 | ||
| 990 | P | 29.4 | Very low | 24.1 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 170.2 | 175.2 | 37.4 | -34.5 | 0 | 0 | 0 | 113.7 | ||
| 991 | C | 24.6 | Very low | 24.2 | Very low | 121 Ų | 121 | 149.3 Ų | 149.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 139.7 | -177.6 | 168.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 992 | D | 21.1 | Very low | 24.4 | Very low | 151 Ų | 151 | 151.9 Ų | 151.9 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | trans | -160.1 | 106.1 | 160.8 | -125.4 | -19.2 | 0 | 0 | 0 | 113.7 | ||||
| 993 | T | 22.9 | Very low | 24.6 | Very low | 132 Ų | 132 | 153.3 Ų | 153.3 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -178.9 | 97.7 | 133 | 15.3 | 0 | 0 | 0 | 0 | 112 | L995 | T993-L995 PolarHBondContact O-N 3.04Å; T993-L995 VanDerWaalsContact O-N 3.15Å | ||
| 994 | I | 20.7 | Very low | 24.9 | Very low | 150 Ų | 150 | 154.5 Ų | 154.5 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -81.1 | 84.3 | 163.7 | -59.5 | 175.5 | 0 | 0 | 0 | 108.7 | ||||
| 995 | L | 22.6 | Very low | 25.1 | Very low | 160 Ų | 160 | 155 Ų | 155 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -158.7 | 39.4 | 156.6 | -145.3 | 78.1 | 0 | 0 | 0 | 116.1 | T993 | T993-L995 PolarHBondContact O-N 3.04Å; T993-L995 VanDerWaalsContact O-N 3.15Å | ||
| 996 | L | 24.8 | Very low | 25.5 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | -127.5 | 16.3 | 167.1 | -144.6 | 79 | 0 | 0 | 0 | 114.9 | Y998 | L996-Y998 PolarHBondContact O-N 3.48Š| ||
| 997 | I | 29.4 | Very low | 25.9 | Very low | 139 Ų | 139 | 148.1 Ų | 148.1 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -12.1 | 173.8 | -69.8 | 175.6 | 0 | 0 | 0 | 112 | ||
| 998 | Y | 26.4 | Very low | 26.5 | Very low | 228 Ų | 228 | 145.5 Ų | 145.5 | 89% | 0.894 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -4.3 | -177.7 | -119.9 | -86.8 | 0 | 0 | 0 | 116.7 | L996 | L996-Y998 PolarHBondContact O-N 3.48Š|
| 999 | T | 29.3 | Very low | 27.1 | Very low | 87 Ų | 87 | 147 Ų | 147 | 53% | 0.534 | 76% | 0.762 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.9 | -12.2 | 175.7 | 50.7 | 0 | 0 | 0 | 0 | 114.3 | H1001 R1002 | T999-H1001 PolarHBondContact O-N 2.96Å; T999-R1002 PolarHBondContact O-N 3.25Å |
| 1000 | V | 30.3 | Very low | 27.6 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -63.6 | -21.4 | 177.8 | 179 | 0 | 0 | 0 | 0 | 112.5 | R1002 | V1000-R1002 VanDerWaalsContact C-N 3.33Å; V1000-R1002 PolarHBondContact O-N 2.76Å |
| 1001 | H | 28.2 | Very low | 27.9 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 81% | 0.806 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -81.7 | 5.9 | 179.2 | -159.2 | 63.8 | 0 | 0 | 0 | 115.4 | T999 | T999-H1001 PolarHBondContact O-N 2.96Š|
| 1002 | R | 24.4 | Very low | 28.5 | Very low | 231 Ų | 231 | 142.2 Ų | 142.2 | 87% | 0.872 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -135.8 | 20.7 | -176.4 | -135.4 | -174.9 | -176.8 | -169.1 | 0.9 | 119.3 | T999 V1000 | T999-R1002 PolarHBondContact O-N 3.25Å; V1000-R1002 VanDerWaalsContact C-N 3.33Å; V1000-R1002 PolarHBondContact O-N 2.76Å |
| 1003 | I | 26.6 | Very low | 29.2 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 73% | 0.728 | 71% | 0.71 | S | S | * | * | trans | -123.3 | 53.8 | 164.3 | -44.5 | -176.5 | 0 | 0 | 0 | 111.4 | K1005 | I1003-K1005 PolarHBondContact O-N 3.06Š| ||
| 1004 | V | 28.2 | Very low | 29.7 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 81% | 0.812 | 70% | 0.699 | S | S | * | * | trans | -80.5 | 25.2 | 163.3 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1005 | K | 27.7 | Very low | 30.6 | Very low | 188 Ų | 188 | 134.9 Ų | 134.9 | 82% | 0.817 | 69% | 0.686 | S | S | * | * | trans | -147.5 | 81.1 | 179.7 | -73.8 | -166.7 | 175.9 | -175 | 0 | 112.7 | I1003 | I1003-K1005 PolarHBondContact O-N 3.06Š| ||
| 1006 | S | 29.6 | Very low | 31.8 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 71% | 0.713 | 67% | 0.669 | S | S | * | * | trans | -177.5 | 102.3 | 143.9 | -83.2 | 0 | 0 | 0 | 0 | 109.8 | T1008 | S1006-T1008 VanDerWaalsContact C-N 3.34Å; S1006-T1008 PolarHBondContact O-N 3.18Å | ||
| 1007 | F | 30.4 | Very low | 32.4 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 63% | 0.632 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 24.1 | -161.4 | -155.8 | -136.5 | 0 | 0 | 0 | 114.8 | K1844 | F1007-K1844 HydrophobicContact CD1-CD 4.2Å; F1007-K1844 HydrophobicContact CE1-CD 3.44Å; F1007-K1844 VanDerWaalsContact CE1-CD 3.44Å; F1007-K1844 HydrophobicContact CE1-CG 3.86Å; F1007-K1844 HydrophobicContact CZ-CD 3.71Å; F1007-K1844 HydrophobicContact CZ-CG 4.4Å; F1007-K1844 PolarHBondContact O-NZ 3.44Å |
| 1008 | T | 36.6 | Very low | 32.7 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 69% | 0.693 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -12.7 | -169 | 40.7 | 0 | 0 | 0 | 0 | 115.7 | S1006 L1010 | S1006-T1008 VanDerWaalsContact C-N 3.34Å; S1006-T1008 PolarHBondContact O-N 3.18Å; T1008-L1010 PolarHBondContact O-N 3.39Å |
| 1009 | F | 33.6 | Very low | 33.3 | Very low | 154 Ų | 154 | 121.5 Ų | 121.5 | 68% | 0.675 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -27.9 | -176.9 | -164.3 | -102.2 | 0 | 0 | 0 | 114.4 | C1011 N1012 I1013 | F1009-C1011 VanDerWaalsContact C-N 3.32Å; F1009-C1011 PolarHBondContact O-N 3.27Å; F1009-N1012 PolarHBondContact O-N 3.27Å; F1009-I1013 HydrophobicContact CE1-CD1 4.38Å |
| 1010 | L | 33.2 | Very low | 34.1 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 62% | 0.623 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.4 | -21.4 | -176.7 | -92.4 | 117.7 | 0 | 0 | 0 | 115 | T1008 N1012 | T1008-L1010 PolarHBondContact O-N 3.39Å; L1010-N1012 VanDerWaalsContact C-N 3.34Å; L1010-N1012 PolarHBondContact O-N 2.89Å |
| 1011 | C | 34.6 | Very low | 34.3 | Very low | 78 Ų | 78 | 122.4 Ų | 122.4 | 53% | 0.527 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69 | -31.9 | -179.8 | -69.2 | 0 | 0 | 0 | 0 | 112.8 | F1009 I1013 L1014 V1015 | F1009-C1011 VanDerWaalsContact C-N 3.32Å; F1009-C1011 PolarHBondContact O-N 3.27Å; C1011-I1013 VanDerWaalsContact C-N 3.34Å; C1011-I1013 PolarHBondContact O-N 2.96Å; C1011-L1014 PolarHBondContact O-N 3.39Å; C1011-V1015 PolarHBondContact O-N 3.5Å |
| 1012 | N | 37.1 | Very low | 34.8 | Very low | 110 Ų | 110 | 121.2 Ų | 121.2 | 59% | 0.588 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.3 | -29 | -178.5 | -71.2 | -9.1 | 0 | 0 | 0 | 112.6 | F1009 L1010 V1016 | F1009-N1012 PolarHBondContact O-N 3.27Å; L1010-N1012 VanDerWaalsContact C-N 3.34Å; L1010-N1012 PolarHBondContact O-N 2.89Å; N1012-V1016 WeakPolarHBondContact O-CG2 3.5Å; N1012-V1016 PolarHBondContact O-N 2.73Å |
| 1013 | I | 37.6 | Very low | 35.4 | Very low | 87 Ų | 87 | 115.7 Ų | 115.7 | 45% | 0.446 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.4 | -38.7 | 177.8 | -62.6 | 175.9 | 0 | 0 | 0 | 110.7 | F1009 C1011 V1015 V1016 I1017 | F1009-I1013 HydrophobicContact CE1-CD1 4.38Å; C1011-I1013 VanDerWaalsContact C-N 3.34Å; C1011-I1013 PolarHBondContact O-N 2.96Å; I1013-V1015 VanDerWaalsContact C-N 3.34Å; I1013-V1015 PolarHBondContact O-N 3.02Å; I1013-V1016 PolarHBondContact O-N 2.78Å; I1013-I1017 HydrophobicContact CG2-CD1 3.94Å; I1013-I1017 WeakPolarHBondContact O-CG1 3.36Å; I1013-I1017 PolarHBondContact O-N 3.38Å |
| 1014 | L | 32.6 | Very low | 36.1 | Very low | 110 Ų | 110 | 112.8 Ų | 112.8 | 58% | 0.576 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66 | -36.7 | 179.1 | -163.3 | 71.8 | 0 | 0 | 0 | 112.2 | C1011 I1017 L1018 | C1011-L1014 PolarHBondContact O-N 3.39Å; L1014-I1017 PolarHBondContact O-N 3.29Å; L1014-L1018 HydrophobicContact CG-CD1 4.49Å; L1014-L1018 PolarHBondContact O-N 2.72Å |
| 1015 | V | 39.4 | Very low | 36.6 | Very low | 82 Ų | 82 | 110.8 Ų | 110.8 | 50% | 0.497 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.7 | -41.4 | 174.7 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | C1011 I1013 L1018 L1019 | C1011-V1015 PolarHBondContact O-N 3.5Å; I1013-V1015 VanDerWaalsContact C-N 3.34Å; I1013-V1015 PolarHBondContact O-N 3.02Å; V1015-L1018 PolarHBondContact O-N 3.24Å; V1015-L1019 HydrophobicContact CG1-CD1 4.07Å; V1015-L1019 WeakPolarHBondContact O-CG 3.46Å; V1015-L1019 PolarHBondContact O-N 3.29Å |
| 1016 | V | 47.1 | Very low | 37.2 | Very low | 81 Ų | 81 | 104.3 Ų | 104.3 | 49% | 0.491 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | N1012 I1013 L1019 I1020 | N1012-V1016 WeakPolarHBondContact O-CG2 3.5Å; N1012-V1016 PolarHBondContact O-N 2.73Å; I1013-V1016 PolarHBondContact O-N 2.78Å; V1016-L1019 PolarHBondContact O-N 3.1Å; V1016-I1020 HydrophobicContact CG1-CD1 3.9Å; V1016-I1020 VanDerWaalsContact O-CG1 3.3Å; V1016-I1020 WeakPolarHBondContact O-CG1 3.37Å; V1016-I1020 PolarHBondContact O-N 2.93Å |
| 1017 | I | 38 | Very low | 37.7 | Very low | 81 Ų | 81 | 104 Ų | 104 | 42% | 0.415 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 176.4 | -67.9 | 167.8 | 0 | 0 | 0 | 111.3 | I1013 L1014 I1020 F1021 | I1013-I1017 HydrophobicContact CG2-CD1 3.94Å; I1013-I1017 WeakPolarHBondContact O-CG1 3.36Å; I1013-I1017 PolarHBondContact O-N 3.38Å; L1014-I1017 PolarHBondContact O-N 3.29Å; I1017-I1020 PolarHBondContact O-N 3.3Å; I1017-F1021 HydrophobicContact CG2-CD2 4.36Å; I1017-F1021 PolarHBondContact O-N 3.37Å |
| 1018 | L | 35.9 | Very low | 38.2 | Very low | 111 Ų | 111 | 100.3 Ų | 100.3 | 58% | 0.581 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.5 | -38.8 | 176 | -78.3 | 164.7 | 0 | 0 | 0 | 112.5 | L1014 V1015 F1021 Y1022 | L1014-L1018 HydrophobicContact CG-CD1 4.49Å; L1014-L1018 PolarHBondContact O-N 2.72Å; V1015-L1018 PolarHBondContact O-N 3.24Å; L1018-F1021 PolarHBondContact O-N 3.1Å; L1018-Y1022 WeakPolarHBondContact O-CB 3.22Å; L1018-Y1022 PolarHBondContact O-N 3.05Å |
| 1019 | L | 39.9 | Very low | 38.1 | Very low | 105 Ų | 105 | 100.8 Ų | 100.8 | 55% | 0.55 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 174.1 | -74.3 | 167.5 | 0 | 0 | 0 | 112.1 | V1015 V1016 Y1022 Q1023 | V1015-L1019 HydrophobicContact CG1-CD1 4.07Å; V1015-L1019 WeakPolarHBondContact O-CG 3.46Å; V1015-L1019 PolarHBondContact O-N 3.29Å; V1016-L1019 PolarHBondContact O-N 3.1Å; L1019-Y1022 PolarHBondContact O-N 2.84Å; L1019-Q1023 WeakPolarHBondContact O-CB 3.31Å; L1019-Q1023 PolarHBondContact O-N 3.38Å |
| 1020 | I | 44.4 | Very low | 38.4 | Very low | 94 Ų | 94 | 98 Ų | 98 | 48% | 0.482 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 174.7 | -68.6 | 164 | 0 | 0 | 0 | 110.7 | V1016 I1017 Y1022 Q1023 I1024 | V1016-I1020 HydrophobicContact CG1-CD1 3.9Å; V1016-I1020 VanDerWaalsContact O-CG1 3.3Å; V1016-I1020 WeakPolarHBondContact O-CG1 3.37Å; V1016-I1020 PolarHBondContact O-N 2.93Å; I1017-I1020 PolarHBondContact O-N 3.3Å; I1020-Y1022 PolarHBondContact O-N 2.74Å; I1020-Q1023 PolarHBondContact O-N 2.69Å; I1020-I1024 HydrophobicContact CG2-CD1 3.99Å; I1020-I1024 WeakPolarHBondContact O-CG1 3.49Å; I1020-I1024 PolarHBondContact O-N 2.77Å |
| 1021 | F | 35.8 | Very low | 38.6 | Very low | 131 Ų | 131 | 92.8 Ų | 92.8 | 58% | 0.575 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62 | -41.1 | 176.3 | -106.5 | -85.4 | 0 | 0 | 0 | 112.7 | I1017 L1018 I1024 I1025 | I1017-F1021 HydrophobicContact CG2-CD2 4.36Å; I1017-F1021 PolarHBondContact O-N 3.37Å; L1018-F1021 PolarHBondContact O-N 3.1Å; F1021-I1024 PolarHBondContact O-N 3.44Å; F1021-I1025 WeakPolarHBondContact O-CG1 3.33Å; F1021-I1025 PolarHBondContact O-N 3.18Å; F1021-I1025 VanDerWaalsContact O-N 3.08Å |
| 1022 | Y | 38.5 | Very low | 38.6 | Very low | 148 Ų | 148 | 91.7 Ų | 91.7 | 58% | 0.58 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64 | -39.9 | 176 | -168.1 | -105.1 | 0 | 0 | 0 | 111.9 | L1018 L1019 I1020 I1025 N1026 | L1018-Y1022 WeakPolarHBondContact O-CB 3.22Å; L1018-Y1022 PolarHBondContact O-N 3.05Å; L1019-Y1022 PolarHBondContact O-N 2.84Å; I1020-Y1022 PolarHBondContact O-N 2.74Å; Y1022-I1025 PolarHBondContact O-N 3.24Å; Y1022-N1026 VanDerWaalsContact CD1-ND2 3.26Å; Y1022-N1026 WeakPolarHBondContact CD1-ND2 3.2Å; Y1022-N1026 WeakPolarHBondContact CE1-ND2 3.4Å; Y1022-N1026 PolarHBondContact O-N 3.41Å; Y1022-N1026 PolarHBondContact O-ND2 3.17Å |
| 1023 | Q | 37.2 | Very low | 38.6 | Very low | 115 Ų | 115 | 90.6 Ų | 90.6 | 54% | 0.537 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 175.4 | -159.1 | 73.4 | 22.8 | 0 | 0 | 112.1 | L1019 I1020 N1026 N1027 | L1019-Q1023 WeakPolarHBondContact O-CB 3.31Å; L1019-Q1023 PolarHBondContact O-N 3.38Å; I1020-Q1023 PolarHBondContact O-N 2.69Å; Q1023-N1026 PolarHBondContact O-N 3.1Å; Q1023-N1027 WeakPolarHBondContact O-CB 3.35Å; Q1023-N1027 PolarHBondContact O-N 3.18Å; Q1023-N1027 PolarHBondContact O-OD1 3.48Å |
| 1024 | I | 41.3 | Very low | 38.8 | Very low | 81 Ų | 81 | 89.9 Ų | 89.9 | 42% | 0.415 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 177.1 | -68.2 | 164.1 | 0 | 0 | 0 | 110.8 | I1020 F1021 N1026 N1027 I1028 | I1020-I1024 HydrophobicContact CG2-CD1 3.99Å; I1020-I1024 WeakPolarHBondContact O-CG1 3.49Å; I1020-I1024 PolarHBondContact O-N 2.77Å; F1021-I1024 PolarHBondContact O-N 3.44Å; I1024-N1026 PolarHBondContact O-N 3.09Å; I1024-N1027 PolarHBondContact O-N 3.4Å; I1024-I1028 HydrophobicContact CG2-CD1 3.93Å; I1024-I1028 WeakPolarHBondContact O-CG1 3.17Å; I1024-I1028 PolarHBondContact O-N 3.49Å |
| 1025 | I | 37.4 | Very low | 39 | Very low | 92 Ų | 92 | 84.9 Ų | 84.9 | 47% | 0.472 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 179.4 | -68.1 | 169.4 | 0 | 0 | 0 | 111.4 | F1021 Y1022 I1028 M1029 | F1021-I1025 WeakPolarHBondContact O-CG1 3.33Å; F1021-I1025 PolarHBondContact O-N 3.18Å; F1021-I1025 VanDerWaalsContact O-N 3.08Å; Y1022-I1025 PolarHBondContact O-N 3.24Å; I1025-I1028 PolarHBondContact O-N 2.94Å; I1025-M1029 WeakPolarHBondContact O-CG 3.44Å; I1025-M1029 PolarHBondContact O-N 3.21Å |
| 1026 | N | 40.7 | Very low | 38.9 | Very low | 53 Ų | 53 | 86.3 Ų | 86.3 | 28% | 0.283 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 176.7 | -69.8 | -33.1 | 0 | 0 | 0 | 112.2 | Y1022 Q1023 I1024 I1028 M1029 D1030 | Y1022-N1026 VanDerWaalsContact CD1-ND2 3.26Å; Y1022-N1026 WeakPolarHBondContact CD1-ND2 3.2Å; Y1022-N1026 WeakPolarHBondContact CE1-ND2 3.4Å; Y1022-N1026 PolarHBondContact O-N 3.41Å; Y1022-N1026 PolarHBondContact O-ND2 3.17Å; Q1023-N1026 PolarHBondContact O-N 3.1Å; I1024-N1026 PolarHBondContact O-N 3.09Å; N1026-I1028 VanDerWaalsContact C-N 3.27Å; N1026-I1028 PolarHBondContact O-N 3.15Å; N1026-M1029 PolarHBondContact O-N 3.34Å; N1026-M1029 VanDerWaalsContact O-N 3.12Å; N1026-D1030 PolarHBondContact O-N 2.92Å |
| 1027 | N | 40.6 | Very low | 38.6 | Very low | 95 Ų | 95 | 86.4 Ų | 86.4 | 51% | 0.508 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.8 | -36.6 | 175.9 | -71.5 | -9 | 0 | 0 | 0 | 112.2 | Q1023 I1024 S1031 | Q1023-N1027 WeakPolarHBondContact O-CB 3.35Å; Q1023-N1027 PolarHBondContact O-N 3.18Å; Q1023-N1027 PolarHBondContact O-OD1 3.48Å; I1024-N1027 PolarHBondContact O-N 3.4Å; N1027-S1031 WeakPolarHBondContact O-CB 3.29Å; N1027-S1031 PolarHBondContact O-N 2.77Å |
| 1028 | I | 40.4 | Very low | 38.6 | Very low | 67 Ų | 67 | 82.9 Ų | 82.9 | 34% | 0.344 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 174.6 | -67 | 164.6 | 0 | 0 | 0 | 110.7 | N729 I1024 I1025 N1026 S1031 C1032 | N729-I1028 PolarHBondContact ND2-O 3.07Å; I1024-I1028 HydrophobicContact CG2-CD1 3.93Å; I1024-I1028 WeakPolarHBondContact O-CG1 3.17Å; I1024-I1028 PolarHBondContact O-N 3.49Å; I1025-I1028 PolarHBondContact O-N 2.94Å; N1026-I1028 VanDerWaalsContact C-N 3.27Å; N1026-I1028 PolarHBondContact O-N 3.15Å; I1028-S1031 WeakPolarHBondContact O-CB 3.5Å; I1028-S1031 PolarHBondContact O-N 2.96Å; I1028-C1032 PolarHBondContact O-N 2.85Å; I1028-C1032 PolarHBondContact O-SG 2.88Å; I1028-C1032 VanDerWaalsContact O-SG 3.34Å |
| 1029 | M | 35 | Very low | 38.9 | Very low | 122 Ų | 122 | 80.6 Ų | 80.6 | 60% | 0.601 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -66.9 | -46.3 | 177.4 | -75.8 | -69.7 | -69.4 | 0 | 0 | 113 | I1025 N1026 S1031 C1032 L1033 | I1025-M1029 WeakPolarHBondContact O-CG 3.44Å; I1025-M1029 PolarHBondContact O-N 3.21Å; N1026-M1029 PolarHBondContact O-N 3.34Å; N1026-M1029 VanDerWaalsContact O-N 3.12Å; M1029-S1031 VanDerWaalsContact C-N 3.28Å; M1029-S1031 PolarHBondContact O-N 2.59Å; M1029-C1032 WeakPolarHBondContact O-CB 3.3Å; M1029-C1032 PolarHBondContact O-N 2.72Å; M1029-C1032 VanDerWaalsContact O-N 3.14Å; M1029-L1033 PolarHBondContact O-N 2.95Å |
| 1030 | D | 38.7 | Very low | 38.8 | Very low | 97 Ų | 97 | 82 Ų | 82 | 52% | 0.519 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.2 | -34.5 | 176.2 | -79 | -21.6 | 0 | 0 | 0 | 111.4 | N1026 L1033 T1034 | N1026-D1030 PolarHBondContact O-N 2.92Å; D1030-L1033 PolarHBondContact O-N 2.8Å; D1030-T1034 WeakPolarHBondContact O-CB 3.36Å; D1030-T1034 PolarHBondContact O-N 2.91Å; D1030-T1034 PolarHBondContact O-OG1 3.5Å |
| 1031 | S | 37.5 | Very low | 38.6 | Very low | 9 Ų | 9 | 82.4 Ų | 82.4 | 6% | 0.063 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 169.7 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | S728 N729 S732 N1027 I1028 M1029 L1033 N1035 | S728-S1031 WeakPolarHBondContact CB-OG 3.45Å; N729-S1031 PolarHBondContact N-OG 2.86Å; N729-S1031 WeakPolarHBondContact ND2-CB 3.41Å; N729-S1031 PolarHBondContact ND2-OG 3.16Å; S732-S1031 VanDerWaalsContact CB-OG 3.25Å; S732-S1031 WeakPolarHBondContact CB-OG 3.36Å; S732-S1031 PolarHBondContact OG-OG 2.88Å; N1027-S1031 WeakPolarHBondContact O-CB 3.29Å; N1027-S1031 PolarHBondContact O-N 2.77Å; I1028-S1031 WeakPolarHBondContact O-CB 3.5Å; I1028-S1031 PolarHBondContact O-N 2.96Å; M1029-S1031 VanDerWaalsContact C-N 3.28Å; M1029-S1031 PolarHBondContact O-N 2.59Å; S1031-L1033 VanDerWaalsContact C-N 3.26Å; S1031-L1033 PolarHBondContact O-N 2.67Å; S1031-N1035 WeakPolarHBondContact O-CB 3.47Å; S1031-N1035 PolarHBondContact O-N 2.82Å; S1031-N1035 PolarHBondContact O-ND2 3.4Å; S1031-N1035 PolarHBondContact O-OD1 2.89Å |
| 1032 | C | 35.9 | Very low | 39 | Very low | 54 Ų | 54 | 79.1 Ų | 79.1 | 37% | 0.365 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -56.1 | -40.8 | 173.6 | -73.2 | 0 | 0 | 0 | 0 | 112.4 | N729 I1028 M1029 N1035 L1036 | N729-C1032 PolarHBondContact ND2-N 2.86Å; N729-C1032 PolarHBondContact ND2-SG 3.38Å; N729-C1032 PolarHBondContact OD1-SG 3.46Å; N729-C1032 VanDerWaalsContact OD1-SG 3.41Å; I1028-C1032 PolarHBondContact O-N 2.85Å; I1028-C1032 PolarHBondContact O-SG 2.88Å; I1028-C1032 VanDerWaalsContact O-SG 3.34Å; M1029-C1032 WeakPolarHBondContact O-CB 3.3Å; M1029-C1032 PolarHBondContact O-N 2.72Å; M1029-C1032 VanDerWaalsContact O-N 3.14Å; C1032-N1035 WeakPolarHBondContact O-CB 3.37Å; C1032-L1036 PolarHBondContact O-N 3.25Å |
| 1033 | L | 36.2 | Very low | 39.1 | Very low | 88 Ų | 88 | 77.6 Ų | 77.6 | 46% | 0.461 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -75.4 | -48.7 | -174.8 | -169.6 | 67.2 | 0 | 0 | 0 | 112.5 | M1029 D1030 S1031 N1035 L1036 I1037 | M1029-L1033 PolarHBondContact O-N 2.95Å; D1030-L1033 PolarHBondContact O-N 2.8Å; S1031-L1033 VanDerWaalsContact C-N 3.26Å; S1031-L1033 PolarHBondContact O-N 2.67Å; L1033-N1035 PolarHBondContact O-N 3.17Å; L1033-L1036 PolarHBondContact O-N 3.47Å; L1033-L1036 VanDerWaalsContact O-N 3.16Å; L1033-I1037 HydrophobicContact CG-CD1 4.09Å; L1033-I1037 VanDerWaalsContact O-CG1 3.31Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.1Å; L1033-I1037 PolarHBondContact O-N 2.98Å |
| 1034 | T | 41.7 | Very low | 39.4 | Very low | 72 Ų | 72 | 74.4 Ų | 74.4 | 44% | 0.442 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -56.1 | -37 | 176.7 | -53.4 | 0 | 0 | 0 | 0 | 111.1 | I735 D1030 I1037 S1038 | I735-T1034 HydrophobicContact CD1-CG2 4.31Å; D1030-T1034 WeakPolarHBondContact O-CB 3.36Å; D1030-T1034 PolarHBondContact O-N 2.91Å; D1030-T1034 PolarHBondContact O-OG1 3.5Å; T1034-I1037 PolarHBondContact O-N 3.35Å; T1034-S1038 WeakPolarHBondContact O-CB 3.28Å; T1034-S1038 PolarHBondContact O-N 2.88Å |
| 1035 | N | 37 | Very low | 39.6 | Very low | 5 Ų | 5 | 73.6 Ų | 73.6 | 3% | 0.027 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.2 | -50.9 | 177.1 | -77.4 | 13.8 | 0 | 0 | 0 | 113.3 | N729 I731 S732 S1031 C1032 L1033 I1037 S1038 V1039 | N729-N1035 WeakPolarHBondContact CB-ND2 3.34Å; N729-N1035 PolarHBondContact O-ND2 3.01Å; I731-N1035 HydrophobicContact CB-CB 3.62Å; I731-N1035 VanDerWaalsContact CB-CG 3.5Å; I731-N1035 HydrophobicContact CD1-CB 3.77Å; I731-N1035 HydrophobicContact CG1-CB 4.32Å; I731-N1035 HydrophobicContact CG2-CB 4.31Å; I731-N1035 PolarHBondContact N-ND2 2.78Å; S732-N1035 WeakPolarHBondContact CA-OD1 3.27Å; S732-N1035 WeakPolarHBondContact CB-OD1 3.45Å; S732-N1035 PolarHBondContact N-ND2 3.32Å; S732-N1035 PolarHBondContact N-OD1 3Å; S1031-N1035 WeakPolarHBondContact O-CB 3.47Å; S1031-N1035 PolarHBondContact O-N 2.82Å; S1031-N1035 PolarHBondContact O-ND2 3.4Å; S1031-N1035 PolarHBondContact O-OD1 2.89Å; C1032-N1035 WeakPolarHBondContact O-CB 3.37Å; L1033-N1035 PolarHBondContact O-N 3.17Å; N1035-I1037 VanDerWaalsContact C-N 3.27Å; N1035-I1037 PolarHBondContact O-N 2.87Å; N1035-S1038 PolarHBondContact O-N 2.86Å; N1035-V1039 PolarHBondContact O-N 2.83Å; N1035-V1039 VanDerWaalsContact O-N 3.13Å |
| 1036 | L | 37.9 | Very low | 40 | Very low | 111 Ų | 111 | 70.9 Ų | 70.9 | 58% | 0.581 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.1 | -40.1 | 178.6 | -168.7 | 148.2 | 0 | 0 | 0 | 110.5 | C1032 L1033 W1040 | C1032-L1036 PolarHBondContact O-N 3.25Å; L1033-L1036 PolarHBondContact O-N 3.47Å; L1033-L1036 VanDerWaalsContact O-N 3.16Å; L1036-W1040 WeakPolarHBondContact O-CB 3.39Å; L1036-W1040 PolarHBondContact O-N 3.34Å; L1036-W1040 VanDerWaalsContact O-N 3.1Å |
| 1037 | I | 40.9 | Very low | 40.1 | Very low | 83 Ų | 83 | 72.6 Ų | 72.6 | 43% | 0.426 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 175.8 | -67.4 | 164.2 | 0 | 0 | 0 | 111.9 | L1033 T1034 N1035 W1040 Q1041 | L1033-I1037 HydrophobicContact CG-CD1 4.09Å; L1033-I1037 VanDerWaalsContact O-CG1 3.31Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.1Å; L1033-I1037 PolarHBondContact O-N 2.98Å; T1034-I1037 PolarHBondContact O-N 3.35Å; N1035-I1037 VanDerWaalsContact C-N 3.27Å; N1035-I1037 PolarHBondContact O-N 2.87Å; I1037-W1040 WeakPolarHBondContact O-CB 3.43Å; I1037-W1040 PolarHBondContact O-N 3.02Å; I1037-W1040 VanDerWaalsContact O-N 3.16Å; I1037-Q1041 PolarHBondContact O-N 2.87Å |
| 1038 | S | 38.7 | Very low | 40.5 | Very low | 8 Ų | 8 | 70.2 Ų | 70.2 | 6% | 0.056 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 179.3 | 165.8 | 0 | 0 | 0 | 0 | 112.6 | I731 T1034 N1035 W1040 Q1041 T1042 | I731-S1038 WeakPolarHBondContact CG2-OG 3.48Å; T1034-S1038 WeakPolarHBondContact O-CB 3.28Å; T1034-S1038 PolarHBondContact O-N 2.88Å; N1035-S1038 PolarHBondContact O-N 2.86Å; S1038-W1040 VanDerWaalsContact C-N 3.25Å; S1038-W1040 PolarHBondContact O-N 3.39Å; S1038-Q1041 PolarHBondContact O-N 2.94Å; S1038-T1042 PolarHBondContact O-N 2.97Å; S1038-T1042 PolarHBondContact O-OG1 3.4Å |
| 1039 | V | 41 | Very low | 40.7 | Very low | 62 Ų | 62 | 71 Ų | 71 | 38% | 0.376 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.4 | -38.6 | 174.6 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | I731 N1035 L1043 | I731-V1039 HydrophobicContact CB-CG2 4.45Å; I731-V1039 HydrophobicContact CD1-CG2 3.45Å; I731-V1039 VanDerWaalsContact CD1-CG2 3.45Å; I731-V1039 HydrophobicContact CG1-CG2 3.56Å; I731-V1039 HydrophobicContact CG2-CG2 4.18Å; N1035-V1039 PolarHBondContact O-N 2.83Å; N1035-V1039 VanDerWaalsContact O-N 3.13Å; V1039-L1043 HydrophobicContact CG1-CD1 3.85Å; V1039-L1043 HydrophobicContact CG1-CG 4.44Å; V1039-L1043 WeakPolarHBondContact O-CB 3.39Å; V1039-L1043 WeakPolarHBondContact O-CG 3.42Å; V1039-L1043 PolarHBondContact O-N 3.38Å |
| 1040 | W | 37.3 | Very low | 41.2 | Very low | 135 Ų | 135 | 70.5 Ų | 70.5 | 51% | 0.511 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 179.1 | -140.3 | 79.5 | 0 | 0 | 0 | 112.5 | L1036 I1037 S1038 T1042 L1043 V1044 | L1036-W1040 WeakPolarHBondContact O-CB 3.39Å; L1036-W1040 PolarHBondContact O-N 3.34Å; L1036-W1040 VanDerWaalsContact O-N 3.1Å; I1037-W1040 WeakPolarHBondContact O-CB 3.43Å; I1037-W1040 PolarHBondContact O-N 3.02Å; I1037-W1040 VanDerWaalsContact O-N 3.16Å; S1038-W1040 VanDerWaalsContact C-N 3.25Å; S1038-W1040 PolarHBondContact O-N 3.39Å; W1040-T1042 PolarHBondContact O-N 2.94Å; W1040-L1043 PolarHBondContact O-N 2.97Å; W1040-V1044 HydrophobicContact CD2-CG2 4.29Å; W1040-V1044 HydrophobicContact CE3-CG2 3.82Å; W1040-V1044 HydrophobicContact CH2-CG2 4.49Å; W1040-V1044 HydrophobicContact CZ3-CG2 3.94Å; W1040-V1044 WeakPolarHBondContact O-CB 3.42Å; W1040-V1044 VanDerWaalsContact O-CG2 3.3Å; W1040-V1044 WeakPolarHBondContact O-CG2 3.12Å; W1040-V1044 PolarHBondContact O-N 3.12Å |
| 1041 | Q | 41.4 | Very low | 41.8 | Very low | 102 Ų | 102 | 67.3 Ų | 67.3 | 48% | 0.477 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 177.9 | -74.2 | -179.5 | -33.4 | 0 | 0 | 112.3 | I1037 S1038 V1044 S1045 | I1037-Q1041 PolarHBondContact O-N 2.87Å; S1038-Q1041 PolarHBondContact O-N 2.94Å; Q1041-V1044 PolarHBondContact O-N 3.28Å; Q1041-S1045 PolarHBondContact O-N 2.71Å; Q1041-S1045 PolarHBondContact O-OG 3.31Å |
| 1042 | T | 44 | Very low | 42.6 | Very low | 63 Ų | 63 | 69.7 Ų | 69.7 | 39% | 0.387 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 178.2 | -53.6 | 0 | 0 | 0 | 0 | 112.3 | S1038 W1040 S1045 G1046 | S1038-T1042 PolarHBondContact O-N 2.97Å; S1038-T1042 PolarHBondContact O-OG1 3.4Å; W1040-T1042 PolarHBondContact O-N 2.94Å; T1042-S1045 PolarHBondContact O-OG 3.32Å; T1042-G1046 PolarHBondContact O-N 3.44Å; T1042-G1046 VanDerWaalsContact O-N 3.1Å |
| 1043 | L | 40.3 | Very low | 43.3 | Very low | 116 Ų | 116 | 72.6 Ų | 72.6 | 61% | 0.607 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.4 | -43.1 | 173.7 | -77.6 | 169.4 | 0 | 0 | 0 | 111.8 | V1039 W1040 L1047 | V1039-L1043 HydrophobicContact CG1-CD1 3.85Å; V1039-L1043 HydrophobicContact CG1-CG 4.44Å; V1039-L1043 WeakPolarHBondContact O-CB 3.39Å; V1039-L1043 WeakPolarHBondContact O-CG 3.42Å; V1039-L1043 PolarHBondContact O-N 3.38Å; W1040-L1043 PolarHBondContact O-N 2.97Å; L1043-L1047 VanDerWaalsContact O-CB 3.29Å; L1043-L1047 WeakPolarHBondContact O-CB 3.37Å; L1043-L1047 PolarHBondContact O-N 2.79Å |
| 1044 | V | 43.8 | Very low | 44 | Very low | 48 Ų | 48 | 71.8 Ų | 71.8 | 29% | 0.291 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.9 | -40.2 | -179.9 | 170.4 | 0 | 0 | 0 | 0 | 111.9 | W1040 Q1041 S1048 L1120 | W1040-V1044 HydrophobicContact CD2-CG2 4.29Å; W1040-V1044 HydrophobicContact CE3-CG2 3.82Å; W1040-V1044 HydrophobicContact CH2-CG2 4.49Å; W1040-V1044 HydrophobicContact CZ3-CG2 3.94Å; W1040-V1044 WeakPolarHBondContact O-CB 3.42Å; W1040-V1044 VanDerWaalsContact O-CG2 3.3Å; W1040-V1044 WeakPolarHBondContact O-CG2 3.12Å; W1040-V1044 PolarHBondContact O-N 3.12Å; Q1041-V1044 PolarHBondContact O-N 3.28Å; V1044-S1048 WeakPolarHBondContact O-CB 3.33Å; V1044-S1048 PolarHBondContact O-N 3.26Å; V1044-L1120 HydrophobicContact CG1-CD2 4.07Å |
| 1045 | S | 44.6 | Very low | 44.5 | Very low | 64 Ų | 64 | 72.5 Ų | 72.5 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68 | -42.4 | 177.2 | 68.9 | 0 | 0 | 0 | 0 | 112.2 | Q1041 T1042 S1048 C1049 | Q1041-S1045 PolarHBondContact O-N 2.71Å; Q1041-S1045 PolarHBondContact O-OG 3.31Å; T1042-S1045 PolarHBondContact O-OG 3.32Å; S1045-S1048 WeakPolarHBondContact O-CB 3.1Å; S1045-S1048 PolarHBondContact O-N 2.6Å; S1045-C1049 PolarHBondContact O-N 2.73Å; S1045-C1049 VanDerWaalsContact O-N 3.1Å |
| 1046 | G | 46.1 | Very low | 45.4 | Very low | 35 Ų | 35 | 75.1 Ų | 75.1 | 36% | 0.361 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61 | -45 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1042 S1048 C1049 Q1050 | T1042-G1046 PolarHBondContact O-N 3.44Å; T1042-G1046 VanDerWaalsContact O-N 3.1Å; G1046-S1048 VanDerWaalsContact C-N 3.33Å; G1046-S1048 PolarHBondContact O-N 2.73Å; G1046-C1049 PolarHBondContact O-N 2.77Å; G1046-Q1050 WeakPolarHBondContact O-CG 3.35Å; G1046-Q1050 PolarHBondContact O-N 3.06Å; G1046-Q1050 VanDerWaalsContact O-N 3.1Å |
| 1047 | L | 43.8 | Very low | 46.4 | Very low | 89 Ų | 89 | 74.9 Ų | 74.9 | 47% | 0.466 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 176.6 | -158.6 | 79.3 | 0 | 0 | 0 | 111.6 | L1043 Q1050 L1051 | L1043-L1047 VanDerWaalsContact O-CB 3.29Å; L1043-L1047 WeakPolarHBondContact O-CB 3.37Å; L1043-L1047 PolarHBondContact O-N 2.79Å; L1047-Q1050 PolarHBondContact O-N 3.25Å; L1047-L1051 HydrophobicContact CG-CD1 4.09Å; L1047-L1051 WeakPolarHBondContact O-CB 3.16Å; L1047-L1051 VanDerWaalsContact O-CD1 3.3Å; L1047-L1051 WeakPolarHBondContact O-CD1 3.28Å; L1047-L1051 PolarHBondContact O-N 3.15Å |
| 1048 | S | 49.3 | Very low | 47 | Very low | 45 Ų | 45 | 74 Ų | 74 | 32% | 0.315 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 176.4 | -171 | 0 | 0 | 0 | 0 | 112.5 | V1044 S1045 G1046 L1051 A1052 | V1044-S1048 WeakPolarHBondContact O-CB 3.33Å; V1044-S1048 PolarHBondContact O-N 3.26Å; S1045-S1048 WeakPolarHBondContact O-CB 3.1Å; S1045-S1048 PolarHBondContact O-N 2.6Å; G1046-S1048 VanDerWaalsContact C-N 3.33Å; G1046-S1048 PolarHBondContact O-N 2.73Å; S1048-L1051 PolarHBondContact O-N 3.34Å; S1048-A1052 PolarHBondContact O-N 3.5Å |
| 1049 | C | 43.9 | Very low | 48.1 | Very low | 83 Ų | 83 | 76.2 Ų | 76.2 | 56% | 0.561 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.7 | -44.4 | 174.7 | -73.9 | 0 | 0 | 0 | 0 | 112.3 | S1045 G1046 L1051 A1052 E1053 | S1045-C1049 PolarHBondContact O-N 2.73Å; S1045-C1049 VanDerWaalsContact O-N 3.1Å; G1046-C1049 PolarHBondContact O-N 2.77Å; C1049-L1051 VanDerWaalsContact C-N 3.32Å; C1049-L1051 PolarHBondContact O-N 2.92Å; C1049-A1052 WeakPolarHBondContact O-CB 3.21Å; C1049-A1052 PolarHBondContact O-N 3.13Å; C1049-A1052 VanDerWaalsContact O-N 3.13Å; C1049-E1053 PolarHBondContact O-N 2.88Å |
| 1050 | Q | 44.6 | Very low | 48.9 | Very low | 112 Ų | 112 | 81 Ų | 81 | 52% | 0.523 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 176.1 | -71.3 | -178.8 | -17.4 | 0 | 0 | 112.3 | G1046 L1047 A1052 T1054 | G1046-Q1050 WeakPolarHBondContact O-CG 3.35Å; G1046-Q1050 PolarHBondContact O-N 3.06Å; G1046-Q1050 VanDerWaalsContact O-N 3.1Å; L1047-Q1050 PolarHBondContact O-N 3.25Å; Q1050-A1052 VanDerWaalsContact C-N 3.35Å; Q1050-T1054 WeakPolarHBondContact O-CB 3.42Å; Q1050-T1054 WeakPolarHBondContact O-CG2 3.39Å; Q1050-T1054 PolarHBondContact O-N 3.45Å; Q1050-T1054 PolarHBondContact O-OG1 2.98Å |
| 1051 | L | 52.9 | Low | 49.6 | Very low | 30 Ų | 30 | 77.4 Ų | 77.4 | 16% | 0.157 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.7 | -36.5 | 172.4 | -100 | 68.9 | 0 | 0 | 0 | 112.3 | L1047 S1048 C1049 T1054 K1055 A1123 I1124 L1127 | L1047-L1051 HydrophobicContact CG-CD1 4.09Å; L1047-L1051 WeakPolarHBondContact O-CB 3.16Å; L1047-L1051 VanDerWaalsContact O-CD1 3.3Å; L1047-L1051 WeakPolarHBondContact O-CD1 3.28Å; L1047-L1051 PolarHBondContact O-N 3.15Å; S1048-L1051 PolarHBondContact O-N 3.34Å; C1049-L1051 VanDerWaalsContact C-N 3.32Å; C1049-L1051 PolarHBondContact O-N 2.92Å; L1051-T1054 WeakPolarHBondContact CA-OG1 3.43Å; L1051-T1054 PolarHBondContact O-OG1 3.48Å; L1051-K1055 WeakPolarHBondContact O-CB 3.36Å; L1051-K1055 PolarHBondContact O-N 2.94Å; L1051-A1123 HydrophobicContact CD2-CB 4.3Å; L1051-I1124 HydrophobicContact CD2-CG1 3.76Å; L1051-L1127 HydrophobicContact CB-CD1 4.11Å; L1051-L1127 HydrophobicContact CD2-CD1 3.52Å; L1051-L1127 HydrophobicContact CG-CD1 3.46Å; L1051-L1127 VanDerWaalsContact CG-CD1 3.46Å |
| 1052 | A | 53.5 | Low | 50.2 | Low | 58 Ų | 58 | 77.7 Ų | 77.7 | 48% | 0.479 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.9 | -42.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1048 C1049 Q1050 K1055 A1056 | S1048-A1052 PolarHBondContact O-N 3.5Å; C1049-A1052 WeakPolarHBondContact O-CB 3.21Å; C1049-A1052 PolarHBondContact O-N 3.13Å; C1049-A1052 VanDerWaalsContact O-N 3.13Å; Q1050-A1052 VanDerWaalsContact C-N 3.35Å; A1052-K1055 PolarHBondContact O-N 3.26Å; A1052-A1056 PolarHBondContact O-N 3.11Å |
| 1053 | E | 51.3 | Low | 51.3 | Low | 116 Ų | 116 | 80.3 Ų | 80.3 | 54% | 0.542 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.9 | -45.5 | 175.2 | -70.8 | -175.1 | 165.7 | 0 | 0 | 111.8 | A663 C1049 K1055 A1056 E1057 | A663-E1053 WeakPolarHBondContact CB-OE1 3.33Å; C1049-E1053 PolarHBondContact O-N 2.88Å; E1053-K1055 VanDerWaalsContact C-N 3.33Å; E1053-K1055 PolarHBondContact O-N 3.25Å; E1053-A1056 WeakPolarHBondContact O-CB 3.46Å; E1053-A1056 PolarHBondContact O-N 3.13Å; E1053-A1056 VanDerWaalsContact O-N 3.15Å; E1053-E1057 PolarHBondContact O-N 3.44Å |
| 1054 | T | 51.2 | Low | 52.6 | Low | 71 Ų | 71 | 79.9 Ų | 79.9 | 44% | 0.436 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.9 | -35.5 | 176.1 | 51.6 | 0 | 0 | 0 | 0 | 112.2 | Q1050 L1051 E1057 L1058 | Q1050-T1054 WeakPolarHBondContact O-CB 3.42Å; Q1050-T1054 WeakPolarHBondContact O-CG2 3.39Å; Q1050-T1054 PolarHBondContact O-N 3.45Å; Q1050-T1054 PolarHBondContact O-OG1 2.98Å; L1051-T1054 WeakPolarHBondContact CA-OG1 3.43Å; L1051-T1054 PolarHBondContact O-OG1 3.48Å; T1054-E1057 PolarHBondContact O-N 2.82Å; T1054-L1058 WeakPolarHBondContact O-CB 3.48Å; T1054-L1058 PolarHBondContact O-N 3.23Å |
| 1055 | K | 52 | Low | 53.5 | Low | 86 Ų | 86 | 82.3 Ų | 82.3 | 37% | 0.374 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 169.4 | 173.5 | 179.6 | 171.7 | 179.4 | 0 | 111.8 | L1051 A1052 E1053 T1059 E1126 | L1051-K1055 WeakPolarHBondContact O-CB 3.36Å; L1051-K1055 PolarHBondContact O-N 2.94Å; A1052-K1055 PolarHBondContact O-N 3.26Å; E1053-K1055 VanDerWaalsContact C-N 3.33Å; E1053-K1055 PolarHBondContact O-N 3.25Å; K1055-T1059 WeakPolarHBondContact O-CB 3.4Å; K1055-T1059 PolarHBondContact O-N 2.91Å; K1055-T1059 PolarHBondContact O-OG1 3.23Å; K1055-E1126 IonicContact NZ-OE2 2.61Å; K1055-E1126 PolarHBondContact NZ-OE2 2.49Å |
| 1056 | A | 55.2 | Low | 54.7 | Low | 61 Ų | 61 | 84.3 Ų | 84.3 | 50% | 0.504 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1052 E1053 T1059 R1060 | A1052-A1056 PolarHBondContact O-N 3.11Å; E1053-A1056 WeakPolarHBondContact O-CB 3.46Å; E1053-A1056 PolarHBondContact O-N 3.13Å; E1053-A1056 VanDerWaalsContact O-N 3.15Å; A1056-T1059 PolarHBondContact O-N 3.48Å; A1056-R1060 PolarHBondContact O-N 2.88Å |
| 1057 | E | 58.6 | Low | 55.7 | Low | 106 Ų | 106 | 88 Ų | 88 | 50% | 0.495 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -74.9 | -34.3 | -179 | -161.9 | 61.6 | -164.7 | 0 | 0 | 112.5 | E1053 T1054 R1060 S1061 | E1053-E1057 PolarHBondContact O-N 3.44Å; T1054-E1057 PolarHBondContact O-N 2.82Å; E1057-R1060 PolarHBondContact O-N 2.96Å; E1057-R1060 IonicContact OE2-CZ 3.82Å; E1057-R1060 IonicContact OE2-NH1 2.93Å; E1057-R1060 PolarHBondContact OE2-NH1 3.46Å; E1057-S1061 VanDerWaalsContact O-CB 3.24Å; E1057-S1061 WeakPolarHBondContact O-CB 3.39Å; E1057-S1061 PolarHBondContact O-N 2.83Å |
| 1058 | L | 54.2 | Low | 56.6 | Low | 63 Ų | 63 | 88 Ų | 88 | 33% | 0.33 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 169 | -91.3 | 162.6 | 0 | 0 | 0 | 112 | T1054 S1061 R1062 L1127 W1130 | T1054-L1058 WeakPolarHBondContact O-CB 3.48Å; T1054-L1058 PolarHBondContact O-N 3.23Å; L1058-S1061 PolarHBondContact O-N 3.39Å; L1058-R1062 PolarHBondContact O-N 3.2Å; L1058-L1127 HydrophobicContact CD1-CD2 4.18Å; L1058-W1130 HydrophobicContact CB-CE3 3.93Å; L1058-W1130 HydrophobicContact CB-CZ3 4.38Å; L1058-W1130 HydrophobicContact CD1-CB 4.38Å; L1058-W1130 HydrophobicContact CD2-CE3 4.45Å; L1058-W1130 WeakPolarHBondContact O-CZ3 3.44Å |
| 1059 | T | 61.8 | Low | 57.2 | Low | 56 Ų | 56 | 88.4 Ų | 88.4 | 34% | 0.344 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62 | -49.3 | 176.1 | -55.4 | 0 | 0 | 0 | 0 | 110 | K1055 A1056 S1061 R1062 E1063 | K1055-T1059 WeakPolarHBondContact O-CB 3.4Å; K1055-T1059 PolarHBondContact O-N 2.91Å; K1055-T1059 PolarHBondContact O-OG1 3.23Å; A1056-T1059 PolarHBondContact O-N 3.48Å; T1059-S1061 VanDerWaalsContact C-N 3.3Å; T1059-S1061 PolarHBondContact O-N 3.35Å; T1059-R1062 PolarHBondContact O-N 3.49Å; T1059-E1063 WeakPolarHBondContact O-CB 3.42Å; T1059-E1063 PolarHBondContact O-N 3.26Å |
| 1060 | R | 56.6 | Low | 58.6 | Low | 163 Ų | 163 | 90 Ų | 90 | 62% | 0.615 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -59.5 | -39.6 | 174.8 | -173.7 | -172.7 | -98.4 | 155.5 | -9.1 | 112.2 | A1056 E1057 E1063 L1064 | A1056-R1060 PolarHBondContact O-N 2.88Å; E1057-R1060 PolarHBondContact O-N 2.96Å; E1057-R1060 IonicContact OE2-CZ 3.82Å; E1057-R1060 IonicContact OE2-NH1 2.93Å; E1057-R1060 PolarHBondContact OE2-NH1 3.46Å; R1060-E1063 PolarHBondContact O-N 2.81Å; R1060-L1064 WeakPolarHBondContact O-CB 3.48Å; R1060-L1064 PolarHBondContact O-N 3.49Å |
| 1061 | S | 53.5 | Low | 59.8 | Low | 58 Ų | 58 | 90.8 Ų | 90.8 | 41% | 0.406 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.9 | -43.4 | 178 | -173.6 | 0 | 0 | 0 | 0 | 112.5 | E1057 L1058 T1059 N1065 | E1057-S1061 VanDerWaalsContact O-CB 3.24Å; E1057-S1061 WeakPolarHBondContact O-CB 3.39Å; E1057-S1061 PolarHBondContact O-N 2.83Å; L1058-S1061 PolarHBondContact O-N 3.39Å; T1059-S1061 VanDerWaalsContact C-N 3.3Å; T1059-S1061 PolarHBondContact O-N 3.35Å; S1061-N1065 WeakPolarHBondContact O-CB 3.45Å; S1061-N1065 PolarHBondContact O-N 3.19Å |
| 1062 | R | 52.1 | Low | 60.6 | Low | 108 Ų | 108 | 94.2 Ų | 94.2 | 41% | 0.408 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.8 | -33.1 | 172.4 | -76.4 | -157.6 | -172.7 | 151.6 | -14.6 | 112.7 | L1058 T1059 L1064 N1065 E1066 H1129 W1130 | L1058-R1062 PolarHBondContact O-N 3.2Å; T1059-R1062 PolarHBondContact O-N 3.49Å; R1062-L1064 VanDerWaalsContact C-N 3.33Å; R1062-N1065 CarbonylContact O-C 3.52Å; R1062-N1065 PolarHBondContact O-N 3.23Å; R1062-E1066 WeakPolarHBondContact O-CA 3.42Å; R1062-E1066 WeakPolarHBondContact O-CB 3.22Å; R1062-E1066 PolarHBondContact O-N 2.84Å; R1062-H1129 PolarHBondContact NH1-O 3.41Å; R1062-H1129 PolarHBondContact NH2-O 3.25Å; R1062-W1130 HydrophobicContact CB-CH2 4.08Å; R1062-W1130 HydrophobicContact CB-CZ3 3.58Å; R1062-W1130 HydrophobicContact CG-CE3 3.89Å; R1062-W1130 HydrophobicContact CG-CH2 4.21Å; R1062-W1130 HydrophobicContact CG-CZ3 3.37Å; R1062-W1130 VanDerWaalsContact NH1-CE3 3.27Å |
| 1063 | E | 67.1 | Low | 61.4 | Low | 118 Ų | 118 | 96 Ų | 96 | 55% | 0.551 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66 | -39.9 | 175.7 | -165.2 | 169.7 | -143.7 | 0 | 0 | 110.5 | T1059 R1060 E1066 Q1067 | T1059-E1063 WeakPolarHBondContact O-CB 3.42Å; T1059-E1063 PolarHBondContact O-N 3.26Å; R1060-E1063 PolarHBondContact O-N 2.81Å; E1063-E1066 PolarHBondContact O-N 3.44Å; E1063-Q1067 WeakPolarHBondContact O-CB 3.37Å; E1063-Q1067 VanDerWaalsContact O-CG 3.29Å; E1063-Q1067 WeakPolarHBondContact O-CG 3.38Å; E1063-Q1067 PolarHBondContact O-N 3.29Å |
| 1064 | L | 68.2 | Low | 62.5 | Low | 108 Ų | 108 | 96.3 Ų | 96.3 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.5 | -46.8 | 168.2 | -171.8 | 76.8 | 0 | 0 | 0 | 111.8 | R1060 R1062 E1066 Q1067 L1068 | R1060-L1064 WeakPolarHBondContact O-CB 3.48Å; R1060-L1064 PolarHBondContact O-N 3.49Å; R1062-L1064 VanDerWaalsContact C-N 3.33Å; L1064-E1066 VanDerWaalsContact C-N 3.31Å; L1064-E1066 PolarHBondContact O-N 3.46Å; L1064-Q1067 PolarHBondContact O-N 3.2Å; L1064-L1068 VanDerWaalsContact O-CB 3.25Å; L1064-L1068 WeakPolarHBondContact O-CB 3.42Å; L1064-L1068 PolarHBondContact O-N 2.95Å |
| 1065 | N | 62.7 | Low | 63.3 | Low | 99 Ų | 99 | 96.6 Ų | 96.6 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.8 | -26.4 | 178.6 | -108.4 | -10.5 | 0 | 0 | 0 | 113 | S1061 R1062 S1069 | S1061-N1065 WeakPolarHBondContact O-CB 3.45Å; S1061-N1065 PolarHBondContact O-N 3.19Å; R1062-N1065 CarbonylContact O-C 3.52Å; R1062-N1065 PolarHBondContact O-N 3.23Å; N1065-S1069 WeakPolarHBondContact O-CA 3.31Å; N1065-S1069 WeakPolarHBondContact O-CB 3.18Å; N1065-S1069 PolarHBondContact O-N 3.37Å |
| 1066 | E | 69.7 | Low | 64 | Low | 106 Ų | 106 | 95 Ų | 95 | 50% | 0.495 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -80.2 | -34.6 | 175.1 | -162.5 | -166.7 | 143 | 0 | 0 | 110.1 | R1062 E1063 L1064 K1070 | R1062-E1066 WeakPolarHBondContact O-CA 3.42Å; R1062-E1066 WeakPolarHBondContact O-CB 3.22Å; R1062-E1066 PolarHBondContact O-N 2.84Å; E1063-E1066 PolarHBondContact O-N 3.44Å; L1064-E1066 VanDerWaalsContact C-N 3.31Å; L1064-E1066 PolarHBondContact O-N 3.46Å; E1066-K1070 HydrophobicContact CG-CD 4.39Å; E1066-K1070 WeakPolarHBondContact O-CA 3.21Å; E1066-K1070 WeakPolarHBondContact O-CB 3.34Å; E1066-K1070 WeakPolarHBondContact O-CD 3.31Å; E1066-K1070 WeakPolarHBondContact O-CG 3.4Å; E1066-K1070 PolarHBondContact O-N 3.29Å; E1066-K1070 WeakPolarHBondContact OE1-CE 3.46Å; E1066-K1070 IonicContact OE1-NZ 2.7Å; E1066-K1070 PolarHBondContact OE1-NZ 3.17Å |
| 1067 | Q | 67.1 | Low | 65 | Low | 113 Ų | 113 | 98.2 Ų | 98.2 | 53% | 0.528 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 166.2 | -73.2 | 175.2 | 21 | 0 | 0 | 111.4 | E1063 L1064 K1070 Q1071 | E1063-Q1067 WeakPolarHBondContact O-CB 3.37Å; E1063-Q1067 VanDerWaalsContact O-CG 3.29Å; E1063-Q1067 WeakPolarHBondContact O-CG 3.38Å; E1063-Q1067 PolarHBondContact O-N 3.29Å; L1064-Q1067 PolarHBondContact O-N 3.2Å; Q1067-K1070 PolarHBondContact O-N 3.31Å; Q1067-Q1071 WeakPolarHBondContact O-CG 3.41Å; Q1067-Q1071 PolarHBondContact O-N 3.1Å |
| 1068 | L | 63.7 | Low | 65.8 | Low | 88 Ų | 88 | 99.3 Ų | 99.3 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71 | -33.5 | 179.7 | -158.2 | 144.3 | 0 | 0 | 0 | 111.3 | L1064 L1072 | L1064-L1068 VanDerWaalsContact O-CB 3.25Å; L1064-L1068 WeakPolarHBondContact O-CB 3.42Å; L1064-L1068 PolarHBondContact O-N 2.95Å; L1068-L1072 WeakPolarHBondContact O-CB 3.19Å; L1068-L1072 PolarHBondContact O-N 3.19Å |
| 1069 | S | 60.9 | Low | 66.4 | Low | 54 Ų | 54 | 102 Ų | 102 | 38% | 0.378 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -78.1 | -26.5 | 171.4 | -171.4 | 0 | 0 | 0 | 0 | 112.3 | N1065 N1073 | N1065-S1069 WeakPolarHBondContact O-CA 3.31Å; N1065-S1069 WeakPolarHBondContact O-CB 3.18Å; N1065-S1069 PolarHBondContact O-N 3.37Å; S1069-N1073 WeakPolarHBondContact O-CA 3.01Å; S1069-N1073 WeakPolarHBondContact O-CB 3.38Å; S1069-N1073 PolarHBondContact O-N 3.11Å; S1069-N1073 PolarHBondContact O-ND2 2.96Å; S1069-N1073 PolarHBondContact OG-ND2 2.87Å |
| 1070 | K | 73.9 | Confident | 66.8 | Low | 115 Ų | 115 | 101.6 Ų | 101.6 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.9 | -44.6 | 166.2 | -82.4 | 162.3 | 173.6 | 161.1 | 0 | 110.3 | E1066 Q1067 N1073 E1074 | E1066-K1070 HydrophobicContact CG-CD 4.39Å; E1066-K1070 WeakPolarHBondContact O-CA 3.21Å; E1066-K1070 WeakPolarHBondContact O-CB 3.34Å; E1066-K1070 WeakPolarHBondContact O-CD 3.31Å; E1066-K1070 WeakPolarHBondContact O-CG 3.4Å; E1066-K1070 PolarHBondContact O-N 3.29Å; E1066-K1070 WeakPolarHBondContact OE1-CE 3.46Å; E1066-K1070 IonicContact OE1-NZ 2.7Å; E1066-K1070 PolarHBondContact OE1-NZ 3.17Å; Q1067-K1070 PolarHBondContact O-N 3.31Å; K1070-N1073 CarbonylContact O-C 3.58Å; K1070-N1073 PolarHBondContact O-N 3.38Å; K1070-E1074 VanDerWaalsContact O-CB 3.3Å; K1070-E1074 WeakPolarHBondContact O-CB 3.4Å; K1070-E1074 WeakPolarHBondContact O-CG 3.32Å; K1070-E1074 PolarHBondContact O-N 3.27Å |
| 1071 | Q | 68.8 | Low | 67.5 | Low | 130 Ų | 130 | 97.4 Ų | 97.4 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.5 | -40.2 | 171.9 | -76 | -173.8 | -20.7 | 0 | 0 | 112.7 | Q1067 E1074 T1075 | Q1067-Q1071 WeakPolarHBondContact O-CG 3.41Å; Q1067-Q1071 PolarHBondContact O-N 3.1Å; Q1071-E1074 PolarHBondContact O-N 2.98Å; Q1071-T1075 WeakPolarHBondContact O-CB 3.41Å; Q1071-T1075 WeakPolarHBondContact O-CG2 3.48Å; Q1071-T1075 PolarHBondContact O-N 3.01Å; Q1071-T1075 PolarHBondContact O-OG1 2.89Å |
| 1072 | L | 70.2 | Confident | 68.2 | Low | 102 Ų | 102 | 97.4 Ų | 97.4 | 53% | 0.534 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.6 | -32.3 | 179.3 | -160.8 | 146.2 | 0 | 0 | 0 | 111 | L1068 T1075 S1076 | L1068-L1072 WeakPolarHBondContact O-CB 3.19Å; L1068-L1072 PolarHBondContact O-N 3.19Å; L1072-T1075 WeakPolarHBondContact CA-OG1 3.39Å; L1072-T1075 PolarHBondContact O-OG1 3.14Å; L1072-S1076 WeakPolarHBondContact O-CA 3.35Å; L1072-S1076 WeakPolarHBondContact O-CB 3.2Å; L1072-S1076 PolarHBondContact O-N 2.98Å |
| 1073 | N | 70.4 | Confident | 68.7 | Low | 95 Ų | 95 | 95.7 Ų | 95.7 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -75.2 | -29.4 | 168.2 | -75.6 | -49.8 | 0 | 0 | 0 | 112.5 | S1069 K1070 K1077 | S1069-N1073 WeakPolarHBondContact O-CA 3.01Å; S1069-N1073 WeakPolarHBondContact O-CB 3.38Å; S1069-N1073 PolarHBondContact O-N 3.11Å; S1069-N1073 PolarHBondContact O-ND2 2.96Å; S1069-N1073 PolarHBondContact OG-ND2 2.87Å; K1070-N1073 CarbonylContact O-C 3.58Å; K1070-N1073 PolarHBondContact O-N 3.38Å; N1073-K1077 WeakPolarHBondContact O-CA 3.39Å; N1073-K1077 WeakPolarHBondContact O-CB 3.35Å; N1073-K1077 PolarHBondContact O-N 2.8Å |
| 1074 | E | 75.6 | Confident | 67.9 | Low | 123 Ų | 123 | 93.2 Ų | 93.2 | 58% | 0.575 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -74.1 | -39.2 | 172.7 | -83.6 | -173.1 | 131 | 0 | 0 | 111.6 | K1070 Q1071 K1077 Q1078 | K1070-E1074 VanDerWaalsContact O-CB 3.3Å; K1070-E1074 WeakPolarHBondContact O-CB 3.4Å; K1070-E1074 WeakPolarHBondContact O-CG 3.32Å; K1070-E1074 PolarHBondContact O-N 3.27Å; Q1071-E1074 PolarHBondContact O-N 2.98Å; E1074-K1077 CarbonylContact O-C 3.57Å; E1074-K1077 PolarHBondContact O-N 2.94Å; E1074-Q1078 WeakPolarHBondContact O-CB 3.3Å; E1074-Q1078 WeakPolarHBondContact O-CG 3.25Å; E1074-Q1078 PolarHBondContact O-N 3.26Å |
| 1075 | T | 67.5 | Low | 67.8 | Low | 77 Ų | 77 | 95.7 Ų | 95.7 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -74.4 | -39.1 | 173.9 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | Q1071 L1072 K1077 Q1078 L1079 | Q1071-T1075 WeakPolarHBondContact O-CB 3.41Å; Q1071-T1075 WeakPolarHBondContact O-CG2 3.48Å; Q1071-T1075 PolarHBondContact O-N 3.01Å; Q1071-T1075 PolarHBondContact O-OG1 2.89Å; L1072-T1075 WeakPolarHBondContact CA-OG1 3.39Å; L1072-T1075 PolarHBondContact O-OG1 3.14Å; T1075-K1077 VanDerWaalsContact C-N 3.32Å; T1075-Q1078 PolarHBondContact O-N 3.47Å; T1075-L1079 VanDerWaalsContact O-CB 3.26Å; T1075-L1079 WeakPolarHBondContact O-CB 3.08Å; T1075-L1079 PolarHBondContact O-N 3.46Å |
| 1076 | S | 66.8 | Low | 67.6 | Low | 51 Ų | 51 | 98.6 Ų | 98.6 | 36% | 0.357 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -36.1 | 169.2 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | L1072 S1080 | L1072-S1076 WeakPolarHBondContact O-CA 3.35Å; L1072-S1076 WeakPolarHBondContact O-CB 3.2Å; L1072-S1076 PolarHBondContact O-N 2.98Å; S1076-S1080 WeakPolarHBondContact O-CA 3.41Å; S1076-S1080 WeakPolarHBondContact O-CB 3.43Å; S1076-S1080 PolarHBondContact O-N 3.25Å; S1076-S1080 PolarHBondContact O-OG 2.98Å |
| 1077 | K | 76.7 | Confident | 66.7 | Low | 130 Ų | 130 | 96.5 Ų | 96.5 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71.5 | -36.1 | 171.9 | -177.9 | 179.3 | 177.2 | -170.6 | 0 | 111.6 | N1073 E1074 T1075 S1080 D1081 | N1073-K1077 WeakPolarHBondContact O-CA 3.39Å; N1073-K1077 WeakPolarHBondContact O-CB 3.35Å; N1073-K1077 PolarHBondContact O-N 2.8Å; E1074-K1077 CarbonylContact O-C 3.57Å; E1074-K1077 PolarHBondContact O-N 2.94Å; T1075-K1077 VanDerWaalsContact C-N 3.32Å; K1077-S1080 CarbonylContact O-C 3.56Å; K1077-S1080 PolarHBondContact O-N 3.36Å; K1077-D1081 WeakPolarHBondContact O-CA 3.47Å; K1077-D1081 WeakPolarHBondContact O-CB 3.39Å; K1077-D1081 PolarHBondContact O-N 3.38Å |
| 1078 | Q | 74.3 | Confident | 65.4 | Low | 128 Ų | 128 | 97 Ų | 97 | 60% | 0.598 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.8 | -40.7 | 172.4 | -76.8 | 167 | 15 | 0 | 0 | 111.3 | E1074 T1075 D1081 A1082 | E1074-Q1078 WeakPolarHBondContact O-CB 3.3Å; E1074-Q1078 WeakPolarHBondContact O-CG 3.25Å; E1074-Q1078 PolarHBondContact O-N 3.26Å; T1075-Q1078 PolarHBondContact O-N 3.47Å; Q1078-D1081 PolarHBondContact O-N 3.03Å; Q1078-A1082 VanDerWaalsContact O-CB 3.3Å; Q1078-A1082 WeakPolarHBondContact O-CB 3.19Å; Q1078-A1082 PolarHBondContact O-N 3.28Å |
| 1079 | L | 67.1 | Low | 64.8 | Low | 120 Ų | 120 | 101.9 Ų | 101.9 | 63% | 0.628 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.6 | -41.6 | 175.2 | -169.2 | 72.8 | 0 | 0 | 0 | 110.9 | T1075 A1082 V1083 | T1075-L1079 VanDerWaalsContact O-CB 3.26Å; T1075-L1079 WeakPolarHBondContact O-CB 3.08Å; T1075-L1079 PolarHBondContact O-N 3.46Å; L1079-A1082 PolarHBondContact O-N 3.26Å; L1079-V1083 VanDerWaalsContact O-CB 3.3Å; L1079-V1083 WeakPolarHBondContact O-CB 3.31Å; L1079-V1083 VanDerWaalsContact O-CG2 3.25Å; L1079-V1083 WeakPolarHBondContact O-CG2 3.43Å; L1079-V1083 PolarHBondContact O-N 2.98Å |
| 1080 | S | 69.9 | Low | 64 | Low | 47 Ų | 47 | 106 Ų | 106 | 33% | 0.329 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -74.2 | -27.4 | 175.5 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | S1076 K1077 N1084 | S1076-S1080 WeakPolarHBondContact O-CA 3.41Å; S1076-S1080 WeakPolarHBondContact O-CB 3.43Å; S1076-S1080 PolarHBondContact O-N 3.25Å; S1076-S1080 PolarHBondContact O-OG 2.98Å; K1077-S1080 CarbonylContact O-C 3.56Å; K1077-S1080 PolarHBondContact O-N 3.36Å; S1080-N1084 VanDerWaalsContact O-CA 3.29Å; S1080-N1084 WeakPolarHBondContact O-CA 3.5Å; S1080-N1084 WeakPolarHBondContact O-CB 3.48Å; S1080-N1084 PolarHBondContact O-N 3.35Å; S1080-N1084 PolarHBondContact O-ND2 3.16Å; S1080-N1084 VanDerWaalsContact O-ND2 3.08Å |
| 1081 | D | 71.4 | Confident | 62.1 | Low | 75 Ų | 75 | 107.3 Ų | 107.3 | 40% | 0.401 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -79.5 | -25.3 | 173 | -73.5 | -9.7 | 0 | 0 | 0 | 109.6 | K1077 Q1078 K1085 | K1077-D1081 WeakPolarHBondContact O-CA 3.47Å; K1077-D1081 WeakPolarHBondContact O-CB 3.39Å; K1077-D1081 PolarHBondContact O-N 3.38Å; Q1078-D1081 PolarHBondContact O-N 3.03Å; D1081-K1085 WeakPolarHBondContact O-CB 3.29Å; D1081-K1085 WeakPolarHBondContact O-CD 3.49Å; D1081-K1085 WeakPolarHBondContact O-CG 3.5Å; D1081-K1085 PolarHBondContact O-N 2.63Å |
| 1082 | A | 68 | Low | 60.2 | Low | 59 Ų | 59 | 106 Ų | 106 | 49% | 0.488 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -74.7 | -47.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q1078 L1079 K1085 F1086 | Q1078-A1082 VanDerWaalsContact O-CB 3.3Å; Q1078-A1082 WeakPolarHBondContact O-CB 3.19Å; Q1078-A1082 PolarHBondContact O-N 3.28Å; L1079-A1082 PolarHBondContact O-N 3.26Å; A1082-K1085 PolarHBondContact O-N 3.07Å; A1082-F1086 WeakPolarHBondContact O-CB 3.48Å; A1082-F1086 PolarHBondContact O-N 2.78Å |
| 1083 | V | 64 | Low | 58.3 | Low | 71 Ų | 71 | 107.3 Ų | 107.3 | 43% | 0.43 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.5 | -34 | 176.9 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | L1079 F1086 I1087 | L1079-V1083 VanDerWaalsContact O-CB 3.3Å; L1079-V1083 WeakPolarHBondContact O-CB 3.31Å; L1079-V1083 VanDerWaalsContact O-CG2 3.25Å; L1079-V1083 WeakPolarHBondContact O-CG2 3.43Å; L1079-V1083 PolarHBondContact O-N 2.98Å; V1083-F1086 CarbonylContact O-C 3.49Å; V1083-F1086 WeakPolarHBondContact O-CA 3.3Å; V1083-F1086 VanDerWaalsContact O-CB 3.28Å; V1083-F1086 WeakPolarHBondContact O-CB 3.43Å; V1083-F1086 PolarHBondContact O-N 2.89Å; V1083-I1087 HydrophobicContact CG1-CD1 3.65Å; V1083-I1087 HydrophobicContact CG1-CG1 4.39Å; V1083-I1087 VanDerWaalsContact O-CB 3.31Å; V1083-I1087 WeakPolarHBondContact O-CB 3.29Å; V1083-I1087 VanDerWaalsContact O-CG1 3.23Å; V1083-I1087 WeakPolarHBondContact O-CG1 3.09Å; V1083-I1087 PolarHBondContact O-N 3.49Å |
| 1084 | N | 49.9 | Very low | 56.4 | Low | 67 Ų | 67 | 113.4 Ų | 113.4 | 36% | 0.358 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -86 | -19.2 | 173.1 | -61.6 | -28.4 | 0 | 0 | 0 | 112.2 | S1080 F1086 I1087 E1088 | S1080-N1084 VanDerWaalsContact O-CA 3.29Å; S1080-N1084 WeakPolarHBondContact O-CA 3.5Å; S1080-N1084 WeakPolarHBondContact O-CB 3.48Å; S1080-N1084 PolarHBondContact O-N 3.35Å; S1080-N1084 PolarHBondContact O-ND2 3.16Å; S1080-N1084 VanDerWaalsContact O-ND2 3.08Å; N1084-F1086 VanDerWaalsContact C-N 3.26Å; N1084-I1087 PolarHBondContact O-N 3.29Å; N1084-E1088 HydrophobicContact CB-CG 4.42Å; N1084-E1088 WeakPolarHBondContact O-CA 3.44Å; N1084-E1088 WeakPolarHBondContact O-CB 3.46Å; N1084-E1088 VanDerWaalsContact O-CG 3.31Å; N1084-E1088 WeakPolarHBondContact O-CG 3.43Å; N1084-E1088 PolarHBondContact O-N 3.14Å |
| 1085 | K | 66 | Low | 54.1 | Low | 160 Ų | 160 | 113.3 Ų | 113.3 | 70% | 0.696 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.2 | -30.7 | 157.6 | -83.4 | 172.5 | 179.8 | 173.7 | 0 | 111.4 | D1081 A1082 F1089 | D1081-K1085 WeakPolarHBondContact O-CB 3.29Å; D1081-K1085 WeakPolarHBondContact O-CD 3.49Å; D1081-K1085 WeakPolarHBondContact O-CG 3.5Å; D1081-K1085 PolarHBondContact O-N 2.63Å; A1082-K1085 PolarHBondContact O-N 3.07Å; K1085-F1089 WeakPolarHBondContact O-CB 3.03Å; K1085-F1089 PolarHBondContact O-N 3.26Å |
| 1086 | F | 58.8 | Low | 52.3 | Low | 159 Ų | 159 | 116.4 Ų | 116.4 | 70% | 0.697 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71.7 | -40.8 | 171.7 | -156.3 | -94.2 | 0 | 0 | 0 | 111.6 | A1082 V1083 N1084 E1090 | A1082-F1086 WeakPolarHBondContact O-CB 3.48Å; A1082-F1086 PolarHBondContact O-N 2.78Å; V1083-F1086 CarbonylContact O-C 3.49Å; V1083-F1086 WeakPolarHBondContact O-CA 3.3Å; V1083-F1086 VanDerWaalsContact O-CB 3.28Å; V1083-F1086 WeakPolarHBondContact O-CB 3.43Å; V1083-F1086 PolarHBondContact O-N 2.89Å; N1084-F1086 VanDerWaalsContact C-N 3.26Å; F1086-E1090 PolarHBondContact O-N 2.79Å |
| 1087 | I | 49.2 | Very low | 50.5 | Low | 62 Ų | 62 | 118 Ų | 118 | 32% | 0.318 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -90.5 | -27.7 | -174.7 | -67.3 | 171.8 | 0 | 0 | 0 | 113.7 | V1083 N1084 E1090 K1091 | V1083-I1087 HydrophobicContact CG1-CD1 3.65Å; V1083-I1087 HydrophobicContact CG1-CG1 4.39Å; V1083-I1087 VanDerWaalsContact O-CB 3.31Å; V1083-I1087 WeakPolarHBondContact O-CB 3.29Å; V1083-I1087 VanDerWaalsContact O-CG1 3.23Å; V1083-I1087 WeakPolarHBondContact O-CG1 3.09Å; V1083-I1087 PolarHBondContact O-N 3.49Å; N1084-I1087 PolarHBondContact O-N 3.29Å; I1087-E1090 CarbonylContact O-C 3.52Å; I1087-E1090 WeakPolarHBondContact O-CA 3.39Å; I1087-E1090 WeakPolarHBondContact O-CB 3.5Å; I1087-E1090 PolarHBondContact O-N 3.48Å; I1087-E1090 VanDerWaalsContact O-N 3.1Å; I1087-K1091 HydrophobicContact CG2-CB 4.49Å; I1087-K1091 HydrophobicContact CG2-CD 4.12Å; I1087-K1091 HydrophobicContact CG2-CG 4.45Å; I1087-K1091 WeakPolarHBondContact O-CA 3.33Å; I1087-K1091 VanDerWaalsContact O-CB 3.22Å; I1087-K1091 WeakPolarHBondContact O-CB 3.45Å; I1087-K1091 PolarHBondContact O-N 3.1Å |
| 1088 | E | 39.7 | Very low | 48.1 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 58% | 0.579 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -80.4 | -19.2 | 169.3 | -65.4 | -172.1 | 125.5 | 0 | 0 | 111.8 | N1084 K1091 S1092 | N1084-E1088 HydrophobicContact CB-CG 4.42Å; N1084-E1088 WeakPolarHBondContact O-CA 3.44Å; N1084-E1088 WeakPolarHBondContact O-CB 3.46Å; N1084-E1088 VanDerWaalsContact O-CG 3.31Å; N1084-E1088 WeakPolarHBondContact O-CG 3.43Å; N1084-E1088 PolarHBondContact O-N 3.14Å; E1088-K1091 PolarHBondContact O-N 3.41Å; E1088-S1092 WeakPolarHBondContact O-CB 3.13Å; E1088-S1092 PolarHBondContact O-N 3.48Å; E1088-S1092 PolarHBondContact O-OG 3.23Å |
| 1089 | F | 51.9 | Low | 45.8 | Very low | 191 Ų | 191 | 120 Ų | 120 | 84% | 0.838 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.4 | -23 | 160.1 | -161.8 | -89.2 | 0 | 0 | 0 | 111.5 | K1085 | K1085-F1089 WeakPolarHBondContact O-CB 3.03Å; K1085-F1089 PolarHBondContact O-N 3.26Å |
| 1090 | E | 45 | Very low | 44.4 | Very low | 141 Ų | 141 | 119.3 Ų | 119.3 | 66% | 0.659 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -92.2 | -25.9 | 166.3 | -72.2 | -163 | 133.2 | 0 | 0 | 114.7 | F1086 I1087 | F1086-E1090 PolarHBondContact O-N 2.79Å; I1087-E1090 CarbonylContact O-C 3.52Å; I1087-E1090 WeakPolarHBondContact O-CA 3.39Å; I1087-E1090 WeakPolarHBondContact O-CB 3.5Å; I1087-E1090 PolarHBondContact O-N 3.48Å; I1087-E1090 VanDerWaalsContact O-N 3.1Å |
| 1091 | K | 33.4 | Very low | 42.3 | Very low | 141 Ų | 141 | 121.1 Ų | 121.1 | 61% | 0.613 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -146.9 | 46.1 | -162.3 | -58.1 | -175.6 | -176.6 | 170 | 0 | 113.7 | I1087 E1088 N1093 | I1087-K1091 HydrophobicContact CG2-CB 4.49Å; I1087-K1091 HydrophobicContact CG2-CD 4.12Å; I1087-K1091 HydrophobicContact CG2-CG 4.45Å; I1087-K1091 WeakPolarHBondContact O-CA 3.33Å; I1087-K1091 VanDerWaalsContact O-CB 3.22Å; I1087-K1091 WeakPolarHBondContact O-CB 3.45Å; I1087-K1091 PolarHBondContact O-N 3.1Å; E1088-K1091 PolarHBondContact O-N 3.41Å; K1091-N1093 PolarHBondContact O-N 2.87Å |
| 1092 | S | 29.5 | Very low | 40.1 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 71% | 0.713 | 65% | 0.649 | S | S | * | * | trans | -68.8 | 50 | 167.7 | 26.7 | 0 | 0 | 0 | 0 | 112.3 | E1088 | E1088-S1092 WeakPolarHBondContact O-CB 3.13Å; E1088-S1092 PolarHBondContact O-N 3.48Å; E1088-S1092 PolarHBondContact O-OG 3.23Å | ||
| 1093 | N | 30.3 | Very low | 38.3 | Very low | 130 Ų | 130 | 127 Ų | 127 | 70% | 0.695 | 66% | 0.655 | S | S | * | * | trans | -144.1 | 99.7 | -173.3 | -124.5 | -27.6 | 0 | 0 | 0 | 110.5 | K1091 | K1091-N1093 PolarHBondContact O-N 2.87Š| ||
| 1094 | R | 30.1 | Very low | 36.6 | Very low | 223 Ų | 223 | 129.9 Ų | 129.9 | 84% | 0.842 | 67% | 0.667 | S | S | * | * | trans | 75.5 | 101.4 | 163.9 | -53.7 | 175 | -178.6 | -169.3 | -3.5 | 116.4 | ||||
| 1095 | T | 27.3 | Very low | 35.5 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 75% | 0.748 | 69% | 0.686 | S | S | * | * | 90.7 | 124.9 | 53.6 | 60.8 | 0 | 0 | 0 | 0 | 116 | |||||
| 1096 | V | 30.1 | Very low | 34 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 86% | 0.861 | 69% | 0.688 | S | S | * | * | trans | 74.2 | 140.6 | 140.5 | 165.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1097 | S | 28.7 | Very low | 33 | Very low | 84 Ų | 84 | 126.5 Ų | 126.5 | 59% | 0.587 | 69% | 0.686 | S | S | * | * | cis | -172.7 | 149.4 | -15.9 | -174.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1098 | T | 26.1 | Very low | 32.1 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 69% | 0.687 | 69% | 0.691 | S | S | * | * | trans | 53.3 | 116.4 | 143.3 | 50.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1099 | K | 26.9 | Very low | 31.9 | Very low | 189 Ų | 189 | 124.5 Ų | 124.5 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | 75.2 | 179.6 | 102.3 | -127.7 | -160.8 | -175.4 | 179.3 | 0 | 116.6 | |||||
| 1100 | P | 35.8 | Very low | 31.1 | Very low | 105 Ų | 105 | 119 Ų | 119 | 68% | 0.682 | 69% | 0.691 | S | S | * | * | -123.3 | -153.6 | -101.2 | 40.7 | -22.8 | 0 | 0 | 0 | 112.4 | |||||
| 1101 | S | 25.7 | Very low | 30.7 | Very low | 84 Ų | 84 | 118.2 Ų | 118.2 | 59% | 0.587 | 69% | 0.685 | S | S | * | * | 121.9 | 108.5 | 118.7 | 137.8 | 0 | 0 | 0 | 0 | 118 | |||||
| 1102 | I | 26.9 | Very low | 30.9 | Very low | 140 Ų | 140 | 117.4 Ų | 117.4 | 72% | 0.718 | 69% | 0.692 | S | S | * | * | trans | 48.1 | 140.5 | 131.6 | -3 | 149.1 | 0 | 0 | 0 | 119.4 | ||||
| 1103 | D | 28.6 | Very low | 31.3 | Very low | 118 Ų | 118 | 120.7 Ų | 120.7 | 63% | 0.631 | 69% | 0.693 | S | S | * | * | 165.7 | 141.2 | 91.5 | -105.8 | -31.3 | 0 | 0 | 0 | 116.7 | |||||
| 1104 | I | 29.1 | Very low | 31.9 | Very low | 131 Ų | 131 | 116.1 Ų | 116.1 | 67% | 0.672 | 67% | 0.668 | S | S | * | * | trans | 76.9 | 88.9 | 139.1 | -66.1 | 162.1 | 0 | 0 | 0 | 120.3 | ||||
| 1105 | T | 26.9 | Very low | 32.2 | Very low | 124 Ų | 124 | 109.5 Ų | 109.5 | 76% | 0.761 | 65% | 0.652 | S | S | * | * | 8.7 | 136.6 | 116 | 56.3 | 0 | 0 | 0 | 0 | 118 | |||||
| 1106 | A | 35 | Very low | 32.6 | Very low | 88 Ų | 88 | 107.6 Ų | 107.6 | 73% | 0.727 | 64% | 0.642 | S | S | * | * | 141.4 | -177.7 | 81 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 1107 | P | 37.3 | Very low | 33.2 | Very low | 103 Ų | 103 | 104.3 Ų | 104.3 | 67% | 0.669 | 62% | 0.619 | S | S | * | * | cis | -143.1 | 163.4 | -40.8 | 39.8 | -22.8 | 0 | 0 | 0 | 116.5 | ||||
| 1108 | T | 30.8 | Very low | 34 | Very low | 70 Ų | 70 | 105 Ų | 105 | 43% | 0.429 | 61% | 0.608 | S | S | . | * | trans | 54.8 | 139.5 | 140.6 | 56.9 | 0 | 0 | 0 | 0 | 124.2 | R1118 | T1108-R1118 VanDerWaalsContact CG2-NH2 3.34Š| ||
| 1109 | G | 33.9 | Very low | 35 | Very low | 75 Ų | 75 | 106.1 Ų | 106.1 | 77% | 0.773 | 61% | 0.606 | S | S | * | * | trans | 174.8 | 41.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1110 | A | 35.2 | Very low | 35.9 | Very low | 76 Ų | 76 | 98.6 Ų | 98.6 | 63% | 0.628 | 58% | 0.575 | S | S | * | * | trans | -154 | 49.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V1112 E1114 | A1110-V1112 PolarHBondContact O-N 3.32Å; A1110-E1114 WeakPolarHBondContact CA-OE2 3.26Å; A1110-E1114 PolarHBondContact N-OE2 3.01Å; A1110-E1114 WeakPolarHBondContact O-CB 3.32Å | ||
| 1111 | K | 36.3 | Very low | 36.6 | Very low | 123 Ų | 123 | 96.3 Ų | 96.3 | 54% | 0.535 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.2 | 26.1 | -152 | -76 | -174.4 | 179.8 | 161.9 | 0 | 122.5 | E1114 | K1111-E1114 WeakPolarHBondContact CA-OE2 3.35Å; K1111-E1114 HydrophobicContact CB-CB 4.49Å; K1111-E1114 HydrophobicContact CG-CB 4.37Å; K1111-E1114 WeakPolarHBondContact CG-OE2 3.24Å; K1111-E1114 PolarHBondContact N-OE2 2.93Å; K1111-E1114 VanDerWaalsContact N-OE2 3.14Å |
| 1112 | V | 37.8 | Very low | 37.6 | Very low | 125 Ų | 125 | 96 Ų | 96 | 76% | 0.758 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | -50.4 | -178.2 | -174.8 | 0 | 0 | 0 | 0 | 114.5 | A1110 | A1110-V1112 PolarHBondContact O-N 3.32Š|
| 1113 | F | 39.3 | Very low | 38.6 | Very low | 170 Ų | 170 | 90.4 Ų | 90.4 | 75% | 0.746 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -19.7 | 158.4 | -71.7 | -80.9 | 0 | 0 | 0 | 111 | T1115 P1116 I1117 | F1113-T1115 VanDerWaalsContact C-N 3.3Å; F1113-T1115 PolarHBondContact O-N 2.88Å; F1113-P1116 WeakPolarHBondContact O-CD 3.28Å; F1113-I1117 HydrophobicContact CB-CD1 3.94Å; F1113-I1117 VanDerWaalsContact O-CB 3.23Å; F1113-I1117 WeakPolarHBondContact O-CB 3.5Å; F1113-I1117 VanDerWaalsContact O-CG1 3.28Å; F1113-I1117 WeakPolarHBondContact O-CG1 3.44Å; F1113-I1117 PolarHBondContact O-N 3.47Å |
| 1114 | E | 42.2 | Very low | 39.6 | Very low | 34 Ų | 34 | 86.7 Ų | 86.7 | 16% | 0.159 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -60.1 | -30.9 | 177.1 | -137.4 | -170.6 | 129.3 | 0 | 0 | 112 | A1110 K1111 R1118 | A1110-E1114 WeakPolarHBondContact CA-OE2 3.26Å; A1110-E1114 PolarHBondContact N-OE2 3.01Å; A1110-E1114 WeakPolarHBondContact O-CB 3.32Å; K1111-E1114 WeakPolarHBondContact CA-OE2 3.35Å; K1111-E1114 HydrophobicContact CB-CB 4.49Å; K1111-E1114 HydrophobicContact CG-CB 4.37Å; K1111-E1114 WeakPolarHBondContact CG-OE2 3.24Å; K1111-E1114 PolarHBondContact N-OE2 2.93Å; K1111-E1114 VanDerWaalsContact N-OE2 3.14Å; E1114-R1118 HydrophobicContact CG-CB 4.16Å; E1114-R1118 WeakPolarHBondContact O-CA 3.45Å; E1114-R1118 WeakPolarHBondContact O-CB 3.38Å; E1114-R1118 PolarHBondContact O-N 2.7Å; E1114-R1118 VanDerWaalsContact OE1-CD 3.29Å; E1114-R1118 WeakPolarHBondContact OE1-CD 3.29Å; E1114-R1118 IonicContact OE1-NE 2.68Å |
| 1115 | T | 35.8 | Very low | 40.6 | Very low | 85 Ų | 85 | 83 Ų | 83 | 52% | 0.521 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.8 | -53.5 | -178.8 | 20.9 | 0 | 0 | 0 | 0 | 112.9 | F1113 E1119 | F1113-T1115 VanDerWaalsContact C-N 3.3Å; F1113-T1115 PolarHBondContact O-N 2.88Å; T1115-E1119 WeakPolarHBondContact O-CB 3.37Å; T1115-E1119 WeakPolarHBondContact O-CG 3.28Å; T1115-E1119 PolarHBondContact O-N 3.26Å |
| 1116 | P | 35.5 | Very low | 41.4 | Very low | 81 Ų | 81 | 81.4 Ų | 81.4 | 53% | 0.526 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 173 | -21.5 | 34 | 0 | 0 | 0 | 113.5 | F1113 R1118 E1119 L1120 | F1113-P1116 WeakPolarHBondContact O-CD 3.28Å; P1116-R1118 VanDerWaalsContact C-N 3.31Å; P1116-R1118 PolarHBondContact O-N 3.19Å; P1116-E1119 PolarHBondContact O-N 2.83Å; P1116-L1120 VanDerWaalsContact O-CB 3.25Å; P1116-L1120 WeakPolarHBondContact O-CB 3.33Å; P1116-L1120 PolarHBondContact O-N 2.66Å |
| 1117 | I | 43.3 | Very low | 41.9 | Very low | 74 Ų | 74 | 77.9 Ų | 77.9 | 38% | 0.379 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -73.8 | -22.8 | -179.8 | -61.7 | -180 | 0 | 0 | 0 | 111.5 | F1113 S1121 L1147 | F1113-I1117 HydrophobicContact CB-CD1 3.94Å; F1113-I1117 VanDerWaalsContact O-CB 3.23Å; F1113-I1117 WeakPolarHBondContact O-CB 3.5Å; F1113-I1117 VanDerWaalsContact O-CG1 3.28Å; F1113-I1117 WeakPolarHBondContact O-CG1 3.44Å; F1113-I1117 PolarHBondContact O-N 3.47Å; I1117-S1121 WeakPolarHBondContact O-CA 3.12Å; I1117-S1121 WeakPolarHBondContact O-CB 3.31Å; I1117-S1121 PolarHBondContact O-N 2.94Å; I1117-S1121 PolarHBondContact O-OG 3.22Å; I1117-L1147 HydrophobicContact CD1-CD2 4.48Å |
| 1118 | R | 44.9 | Very low | 42.2 | Very low | 97 Ų | 97 | 80 Ų | 80 | 37% | 0.366 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -92.7 | -21.6 | 172.1 | -165.3 | 178.8 | -178.5 | -133 | -3.6 | 112.3 | T1108 E1114 P1116 S1121 L1122 | T1108-R1118 VanDerWaalsContact CG2-NH2 3.34Å; E1114-R1118 HydrophobicContact CG-CB 4.16Å; E1114-R1118 WeakPolarHBondContact O-CA 3.45Å; E1114-R1118 WeakPolarHBondContact O-CB 3.38Å; E1114-R1118 PolarHBondContact O-N 2.7Å; E1114-R1118 VanDerWaalsContact OE1-CD 3.29Å; E1114-R1118 WeakPolarHBondContact OE1-CD 3.29Å; E1114-R1118 IonicContact OE1-NE 2.68Å; P1116-R1118 VanDerWaalsContact C-N 3.31Å; P1116-R1118 PolarHBondContact O-N 3.19Å; R1118-S1121 WeakPolarHBondContact CA-OG 3.24Å; R1118-L1122 HydrophobicContact CG-CD1 3.9Å; R1118-L1122 HydrophobicContact CG-CG 3.97Å; R1118-L1122 WeakPolarHBondContact O-CA 3.49Å; R1118-L1122 WeakPolarHBondContact O-CB 3.39Å; R1118-L1122 VanDerWaalsContact O-CD1 3.32Å; R1118-L1122 WeakPolarHBondContact O-CD1 3.29Å; R1118-L1122 WeakPolarHBondContact O-CG 3.34Å; R1118-L1122 PolarHBondContact O-N 3.12Å |
| 1119 | E | 48.4 | Very low | 43 | Very low | 136 Ų | 136 | 84 Ų | 84 | 64% | 0.636 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -70.1 | -44.8 | 161.9 | -80 | 179.1 | -176.5 | 0 | 0 | 109.7 | T1115 P1116 L1122 A1123 | T1115-E1119 WeakPolarHBondContact O-CB 3.37Å; T1115-E1119 WeakPolarHBondContact O-CG 3.28Å; T1115-E1119 PolarHBondContact O-N 3.26Å; P1116-E1119 PolarHBondContact O-N 2.83Å; E1119-L1122 PolarHBondContact O-N 3.45Å; E1119-A1123 VanDerWaalsContact O-CB 3.22Å; E1119-A1123 WeakPolarHBondContact O-CB 3.37Å; E1119-A1123 PolarHBondContact O-N 3.4Å |
| 1120 | L | 46.2 | Very low | 42.9 | Very low | 32 Ų | 32 | 84 Ų | 84 | 17% | 0.168 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 174.1 | -170.2 | 68.4 | 0 | 0 | 0 | 111.8 | V1044 P1116 A1123 I1124 | V1044-L1120 HydrophobicContact CG1-CD2 4.07Å; P1116-L1120 VanDerWaalsContact O-CB 3.25Å; P1116-L1120 WeakPolarHBondContact O-CB 3.33Å; P1116-L1120 PolarHBondContact O-N 2.66Å; L1120-A1123 PolarHBondContact O-N 3.13Å; L1120-I1124 HydrophobicContact CD1-CD1 4.3Å; L1120-I1124 HydrophobicContact CG-CD1 3.94Å; L1120-I1124 WeakPolarHBondContact O-CB 3.33Å; L1120-I1124 WeakPolarHBondContact O-CG1 3.27Å; L1120-I1124 PolarHBondContact O-N 2.84Å |
| 1121 | S | 48.6 | Very low | 43.1 | Very low | 56 Ų | 56 | 83.2 Ų | 83.2 | 39% | 0.392 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -82 | -16.1 | 176.4 | 68 | 0 | 0 | 0 | 0 | 114.4 | I1117 R1118 S1125 | I1117-S1121 WeakPolarHBondContact O-CA 3.12Å; I1117-S1121 WeakPolarHBondContact O-CB 3.31Å; I1117-S1121 PolarHBondContact O-N 2.94Å; I1117-S1121 PolarHBondContact O-OG 3.22Å; R1118-S1121 WeakPolarHBondContact CA-OG 3.24Å; S1121-S1125 WeakPolarHBondContact O-CA 3.37Å; S1121-S1125 WeakPolarHBondContact O-CB 3.28Å; S1121-S1125 PolarHBondContact O-N 3.1Å; S1121-S1125 PolarHBondContact O-OG 3.22Å |
| 1122 | L | 48 | Very low | 43 | Very low | 78 Ų | 78 | 81.2 Ų | 81.2 | 41% | 0.408 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -75.3 | -40.1 | 161.1 | -75.9 | 166.4 | 0 | 0 | 0 | 110.2 | R1118 E1119 I1124 S1125 E1126 | R1118-L1122 HydrophobicContact CG-CD1 3.9Å; R1118-L1122 HydrophobicContact CG-CG 3.97Å; R1118-L1122 WeakPolarHBondContact O-CA 3.49Å; R1118-L1122 WeakPolarHBondContact O-CB 3.39Å; R1118-L1122 VanDerWaalsContact O-CD1 3.32Å; R1118-L1122 WeakPolarHBondContact O-CD1 3.29Å; R1118-L1122 WeakPolarHBondContact O-CG 3.34Å; R1118-L1122 PolarHBondContact O-N 3.12Å; E1119-L1122 PolarHBondContact O-N 3.45Å; L1122-I1124 PolarHBondContact O-N 2.89Å; L1122-S1125 WeakPolarHBondContact CA-OG 3.49Å; L1122-S1125 PolarHBondContact O-N 3.08Å; L1122-E1126 WeakPolarHBondContact O-CA 3.19Å; L1122-E1126 WeakPolarHBondContact O-CB 3.3Å; L1122-E1126 VanDerWaalsContact O-CG 3.27Å; L1122-E1126 WeakPolarHBondContact O-CG 3.45Å; L1122-E1126 PolarHBondContact O-N 2.98Å |
| 1123 | A | 46.6 | Very low | 43.2 | Very low | 23 Ų | 23 | 82.6 Ų | 82.6 | 19% | 0.19 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.4 | -47.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1051 E1119 L1120 L1127 | L1051-A1123 HydrophobicContact CD2-CB 4.3Å; E1119-A1123 VanDerWaalsContact O-CB 3.22Å; E1119-A1123 WeakPolarHBondContact O-CB 3.37Å; E1119-A1123 PolarHBondContact O-N 3.4Å; L1120-A1123 PolarHBondContact O-N 3.13Å; A1123-L1127 WeakPolarHBondContact O-CB 3.36Å; A1123-L1127 WeakPolarHBondContact O-CD1 3.49Å; A1123-L1127 VanDerWaalsContact O-CG 3.28Å; A1123-L1127 WeakPolarHBondContact O-CG 3.34Å; A1123-L1127 PolarHBondContact O-N 2.87Å |
| 1124 | I | 50 | Low | 43.4 | Very low | 40 Ų | 40 | 75.7 Ų | 75.7 | 21% | 0.205 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -70.1 | -38.4 | 177 | -66.1 | 166.9 | 0 | 0 | 0 | 111.8 | L1051 L1120 L1122 L1127 R1128 | L1051-I1124 HydrophobicContact CD2-CG1 3.76Å; L1120-I1124 HydrophobicContact CD1-CD1 4.3Å; L1120-I1124 HydrophobicContact CG-CD1 3.94Å; L1120-I1124 WeakPolarHBondContact O-CB 3.33Å; L1120-I1124 WeakPolarHBondContact O-CG1 3.27Å; L1120-I1124 PolarHBondContact O-N 2.84Å; L1122-I1124 PolarHBondContact O-N 2.89Å; I1124-L1127 CarbonylContact O-C 3.35Å; I1124-L1127 PolarHBondContact O-N 3Å; I1124-R1128 PolarHBondContact O-N 2.86Å |
| 1125 | S | 49.9 | Very low | 43.4 | Very low | 54 Ų | 54 | 79.4 Ų | 79.4 | 38% | 0.378 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -78.1 | -28.3 | 178.7 | 67.9 | 0 | 0 | 0 | 0 | 113.9 | S1121 L1122 R1128 | S1121-S1125 WeakPolarHBondContact O-CA 3.37Å; S1121-S1125 WeakPolarHBondContact O-CB 3.28Å; S1121-S1125 PolarHBondContact O-N 3.1Å; S1121-S1125 PolarHBondContact O-OG 3.22Å; L1122-S1125 WeakPolarHBondContact CA-OG 3.49Å; L1122-S1125 PolarHBondContact O-N 3.08Å; S1125-R1128 WeakPolarHBondContact O-CB 3.45Å; S1125-R1128 PolarHBondContact O-N 2.93Å |
| 1126 | E | 44.7 | Very low | 43.8 | Very low | 90 Ų | 90 | 75.6 Ų | 75.6 | 42% | 0.421 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68 | -48.7 | 165.2 | -75.3 | -173.3 | 163.2 | 0 | 0 | 109.2 | K1055 L1122 R1128 H1129 | K1055-E1126 IonicContact NZ-OE2 2.61Å; K1055-E1126 PolarHBondContact NZ-OE2 2.49Å; L1122-E1126 WeakPolarHBondContact O-CA 3.19Å; L1122-E1126 WeakPolarHBondContact O-CB 3.3Å; L1122-E1126 VanDerWaalsContact O-CG 3.27Å; L1122-E1126 WeakPolarHBondContact O-CG 3.45Å; L1122-E1126 PolarHBondContact O-N 2.98Å; E1126-R1128 PolarHBondContact O-N 3.04Å; E1126-R1128 VanDerWaalsContact O-N 3.07Å; E1126-H1129 WeakPolarHBondContact O-CB 3.16Å; E1126-H1129 PolarHBondContact O-N 2.77Å |
| 1127 | L | 46 | Very low | 44.2 | Very low | 14 Ų | 14 | 74.4 Ų | 74.4 | 7% | 0.073 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.2 | -20.9 | 172 | -81.4 | 163.6 | 0 | 0 | 0 | 113.5 | L1051 L1058 A1123 I1124 H1129 W1130 L1131 | L1051-L1127 HydrophobicContact CB-CD1 4.11Å; L1051-L1127 HydrophobicContact CD2-CD1 3.52Å; L1051-L1127 HydrophobicContact CG-CD1 3.46Å; L1051-L1127 VanDerWaalsContact CG-CD1 3.46Å; L1058-L1127 HydrophobicContact CD1-CD2 4.18Å; A1123-L1127 WeakPolarHBondContact O-CB 3.36Å; A1123-L1127 WeakPolarHBondContact O-CD1 3.49Å; A1123-L1127 VanDerWaalsContact O-CG 3.28Å; A1123-L1127 WeakPolarHBondContact O-CG 3.34Å; A1123-L1127 PolarHBondContact O-N 2.87Å; I1124-L1127 CarbonylContact O-C 3.35Å; I1124-L1127 PolarHBondContact O-N 3Å; L1127-H1129 PolarHBondContact O-N 3.04Å; L1127-W1130 HydrophobicContact CD2-CB 4.35Å; L1127-W1130 CarbonylContact O-C 3.57Å; L1127-W1130 WeakPolarHBondContact O-CA 3.18Å; L1127-W1130 PolarHBondContact O-N 3.2Å; L1127-L1131 HydrophobicContact CB-CD1 4.16Å; L1127-L1131 WeakPolarHBondContact O-CB 3.35Å; L1127-L1131 PolarHBondContact O-N 2.99Å |
| 1128 | R | 42.7 | Very low | 44.4 | Very low | 148 Ų | 148 | 73.8 Ų | 73.8 | 56% | 0.558 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -25.8 | 169.7 | -134.6 | -177 | -167.8 | -138.3 | 3.7 | 113.4 | I1124 S1125 E1126 W1130 A1136 | I1124-R1128 PolarHBondContact O-N 2.86Å; S1125-R1128 WeakPolarHBondContact O-CB 3.45Å; S1125-R1128 PolarHBondContact O-N 2.93Å; E1126-R1128 PolarHBondContact O-N 3.04Å; E1126-R1128 VanDerWaalsContact O-N 3.07Å; R1128-W1130 VanDerWaalsContact C-N 3.29Å; R1128-A1136 HydrophobicContact CG-CB 3.57Å |
| 1129 | H | 48.2 | Very low | 44.4 | Very low | 154 Ų | 154 | 71.1 Ų | 71.1 | 71% | 0.713 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -3.8 | 169.7 | -88.7 | 74.8 | 0 | 0 | 0 | 113.5 | R1062 E1126 L1127 | R1062-H1129 PolarHBondContact NH1-O 3.41Å; R1062-H1129 PolarHBondContact NH2-O 3.25Å; E1126-H1129 WeakPolarHBondContact O-CB 3.16Å; E1126-H1129 PolarHBondContact O-N 2.77Å; L1127-H1129 PolarHBondContact O-N 3.04Å |
| 1130 | W | 32 | Very low | 44 | Very low | 73 Ų | 73 | 66.3 Ų | 66.3 | 28% | 0.277 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | -26.6 | -177.2 | -56.4 | 78.1 | 0 | 0 | 0 | 112.8 | L1058 R1062 L1127 R1128 | L1058-W1130 HydrophobicContact CB-CE3 3.93Å; L1058-W1130 HydrophobicContact CB-CZ3 4.38Å; L1058-W1130 HydrophobicContact CD1-CB 4.38Å; L1058-W1130 HydrophobicContact CD2-CE3 4.45Å; L1058-W1130 WeakPolarHBondContact O-CZ3 3.44Å; R1062-W1130 HydrophobicContact CB-CH2 4.08Å; R1062-W1130 HydrophobicContact CB-CZ3 3.58Å; R1062-W1130 HydrophobicContact CG-CE3 3.89Å; R1062-W1130 HydrophobicContact CG-CH2 4.21Å; R1062-W1130 HydrophobicContact CG-CZ3 3.37Å; R1062-W1130 VanDerWaalsContact NH1-CE3 3.27Å; L1127-W1130 HydrophobicContact CD2-CB 4.35Å; L1127-W1130 CarbonylContact O-C 3.57Å; L1127-W1130 WeakPolarHBondContact O-CA 3.18Å; L1127-W1130 PolarHBondContact O-N 3.2Å; R1128-W1130 VanDerWaalsContact C-N 3.29Å |
| 1131 | L | 37.7 | Very low | 44.1 | Very low | 60 Ų | 60 | 65.6 Ų | 65.6 | 31% | 0.314 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -93.7 | 128.9 | 175 | -68.6 | 167.4 | 0 | 0 | 0 | 110.7 | L1127 M1135 | L1127-L1131 HydrophobicContact CB-CD1 4.16Å; L1127-L1131 WeakPolarHBondContact O-CB 3.35Å; L1127-L1131 PolarHBondContact O-N 2.99Å; L1131-M1135 HydrophobicContact CD2-CE 3.88Å |
| 1132 | P | 36.1 | Very low | 43.9 | Very low | 82 Ų | 82 | 66 Ų | 66 | 53% | 0.532 | 37% | 0.374 | S | S | . | . | trans | -51 | 142.9 | 167 | -28.5 | 35.6 | 0 | 0 | 0 | 112.5 | G1134 M1135 A1136 | P1132-G1134 VanDerWaalsContact C-N 3.27Å; P1132-G1134 PolarHBondContact O-N 3.28Å; P1132-M1135 HydrophobicContact CG-CE 4.34Å; P1132-M1135 PolarHBondContact O-N 2.86Å; P1132-A1136 PolarHBondContact O-N 3.4Å | ||
| 1133 | E | 41.4 | Very low | 43.4 | Very low | 153 Ų | 153 | 65.5 Ų | 65.5 | 72% | 0.715 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -57.6 | -33.2 | -159.6 | -154.3 | 156.5 | -157.5 | 0 | 0 | 114.3 | A1136 A1137 | E1133-A1136 WeakPolarHBondContact O-CB 3.18Å; E1133-A1136 PolarHBondContact O-N 3.32Å; E1133-A1137 WeakPolarHBondContact O-CB 3.46Å; E1133-A1137 PolarHBondContact O-N 2.9Å |
| 1134 | G | 43.3 | Very low | 42.8 | Very low | 26 Ų | 26 | 68 Ų | 68 | 27% | 0.268 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.9 | -35.8 | 174 | 0 | 0 | 0 | 0 | 0 | 114.9 | P1132 A1138 | P1132-G1134 VanDerWaalsContact C-N 3.27Å; P1132-G1134 PolarHBondContact O-N 3.28Å; G1134-A1138 WeakPolarHBondContact O-CB 3.45Å; G1134-A1138 PolarHBondContact O-N 2.91Å |
| 1135 | M | 42.5 | Very low | 42.5 | Very low | 111 Ų | 111 | 68.5 Ų | 68.5 | 55% | 0.547 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -74.1 | -36.8 | 174.8 | -73.4 | -163.3 | -68.9 | 0 | 0 | 111.5 | L1131 P1132 A1138 A1139 | L1131-M1135 HydrophobicContact CD2-CE 3.88Å; P1132-M1135 HydrophobicContact CG-CE 4.34Å; P1132-M1135 PolarHBondContact O-N 2.86Å; M1135-A1138 PolarHBondContact O-N 3.05Å; M1135-A1139 WeakPolarHBondContact O-CB 3.35Å; M1135-A1139 PolarHBondContact O-N 2.7Å |
| 1136 | A | 43 | Very low | 41.6 | Very low | 6 Ų | 6 | 74.6 Ų | 74.6 | 5% | 0.05 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.4 | -45 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1128 P1132 E1133 C1140 | R1128-A1136 HydrophobicContact CG-CB 3.57Å; P1132-A1136 PolarHBondContact O-N 3.4Å; E1133-A1136 WeakPolarHBondContact O-CB 3.18Å; E1133-A1136 PolarHBondContact O-N 3.32Å; A1136-C1140 PolarHBondContact O-N 2.92Å; A1136-C1140 VanDerWaalsContact O-N 3.08Å; A1136-C1140 PolarHBondContact O-SG 2.88Å; A1136-C1140 VanDerWaalsContact O-SG 3.39Å |
| 1137 | A | 45.6 | Very low | 40.9 | Very low | 55 Ų | 55 | 74.7 Ų | 74.7 | 46% | 0.455 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1133 A1141 | E1133-A1137 WeakPolarHBondContact O-CB 3.46Å; E1133-A1137 PolarHBondContact O-N 2.9Å; A1137-A1141 VanDerWaalsContact O-CB 3.31Å; A1137-A1141 WeakPolarHBondContact O-CB 3.4Å; A1137-A1141 PolarHBondContact O-N 3.17Å |
| 1138 | A | 46.4 | Very low | 40.1 | Very low | 62 Ų | 62 | 79.2 Ų | 79.2 | 51% | 0.512 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1134 M1135 A1141 A1142 | G1134-A1138 WeakPolarHBondContact O-CB 3.45Å; G1134-A1138 PolarHBondContact O-N 2.91Å; M1135-A1138 PolarHBondContact O-N 3.05Å; A1138-A1141 PolarHBondContact O-N 3.21Å; A1138-A1142 PolarHBondContact O-N 2.69Å; A1138-A1142 VanDerWaalsContact O-N 3.11Å |
| 1139 | A | 44.4 | Very low | 39.4 | Very low | 41 Ų | 41 | 77.7 Ų | 77.7 | 34% | 0.339 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1135 V1143 | M1135-A1139 WeakPolarHBondContact O-CB 3.35Å; M1135-A1139 PolarHBondContact O-N 2.7Å; A1139-V1143 WeakPolarHBondContact O-CG2 3.5Å; A1139-V1143 PolarHBondContact O-N 3.27Å |
| 1140 | C | 41 | Very low | 38.2 | Very low | 35 Ų | 35 | 78.8 Ų | 78.8 | 24% | 0.236 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 173.5 | -69.7 | 0 | 0 | 0 | 0 | 111.6 | A1136 A1142 V1143 D1144 | A1136-C1140 PolarHBondContact O-N 2.92Å; A1136-C1140 VanDerWaalsContact O-N 3.08Å; A1136-C1140 PolarHBondContact O-SG 2.88Å; A1136-C1140 VanDerWaalsContact O-SG 3.39Å; C1140-A1142 VanDerWaalsContact C-N 3.33Å; C1140-A1142 PolarHBondContact O-N 3.26Å; C1140-V1143 PolarHBondContact O-N 2.8Å; C1140-V1143 VanDerWaalsContact O-N 3.14Å; C1140-D1144 WeakPolarHBondContact O-CB 3.24Å; C1140-D1144 PolarHBondContact O-N 2.75Å |
| 1141 | A | 47.2 | Very low | 38 | Very low | 17 Ų | 17 | 81.9 Ų | 81.9 | 14% | 0.14 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -57.8 | -43.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1137 A1138 V1143 A1145 | A1137-A1141 VanDerWaalsContact O-CB 3.31Å; A1137-A1141 WeakPolarHBondContact O-CB 3.4Å; A1137-A1141 PolarHBondContact O-N 3.17Å; A1138-A1141 PolarHBondContact O-N 3.21Å; A1141-V1143 VanDerWaalsContact C-N 3.35Å; A1141-V1143 PolarHBondContact O-N 2.96Å; A1141-A1145 VanDerWaalsContact O-CB 3.27Å; A1141-A1145 WeakPolarHBondContact O-CB 3.4Å; A1141-A1145 PolarHBondContact O-N 2.9Å |
| 1142 | A | 44.3 | Very low | 37.3 | Very low | 63 Ų | 63 | 87.3 Ų | 87.3 | 52% | 0.521 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.8 | -28.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A1138 C1140 | A1138-A1142 PolarHBondContact O-N 2.69Å; A1138-A1142 VanDerWaalsContact O-N 3.11Å; C1140-A1142 VanDerWaalsContact C-N 3.33Å; C1140-A1142 PolarHBondContact O-N 3.26Å |
| 1143 | V | 37.9 | Very low | 36.8 | Very low | 69 Ų | 69 | 90 Ų | 90 | 42% | 0.418 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -82.5 | -47 | 178 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | A1139 C1140 A1141 A1145 R1146 L1147 | A1139-V1143 WeakPolarHBondContact O-CG2 3.5Å; A1139-V1143 PolarHBondContact O-N 3.27Å; C1140-V1143 PolarHBondContact O-N 2.8Å; C1140-V1143 VanDerWaalsContact O-N 3.14Å; A1141-V1143 VanDerWaalsContact C-N 3.35Å; A1141-V1143 PolarHBondContact O-N 2.96Å; V1143-A1145 VanDerWaalsContact C-N 3.32Å; V1143-A1145 PolarHBondContact O-N 3.39Å; V1143-R1146 PolarHBondContact O-N 3.07Å; V1143-R1146 VanDerWaalsContact O-N 3.15Å; V1143-L1147 HydrophobicContact CG1-CD1 3.89Å; V1143-L1147 PolarHBondContact O-N 3.31Å |
| 1144 | D | 34.6 | Very low | 36 | Very low | 74 Ų | 74 | 88.5 Ų | 88.5 | 40% | 0.396 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 179.5 | -61 | -28.3 | 0 | 0 | 0 | 111.9 | C1140 R1146 L1147 T1148 K2072 | C1140-D1144 WeakPolarHBondContact O-CB 3.24Å; C1140-D1144 PolarHBondContact O-N 2.75Å; D1144-R1146 PolarHBondContact O-N 3.17Å; D1144-R1146 VanDerWaalsContact O-N 3.11Å; D1144-L1147 PolarHBondContact O-N 2.92Å; D1144-T1148 PolarHBondContact O-OG1 3.11Å; D1144-K2072 VanDerWaalsContact CB-NZ 3.31Å; D1144-K2072 IonicContact OD2-NZ 3.12Å; D1144-K2072 PolarHBondContact OD2-NZ 3.04Å |
| 1145 | A | 42.6 | Very low | 35 | Very low | 52 Ų | 52 | 93.8 Ų | 93.8 | 43% | 0.43 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.8 | -15 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1141 V1143 | A1141-A1145 VanDerWaalsContact O-CB 3.27Å; A1141-A1145 WeakPolarHBondContact O-CB 3.4Å; A1141-A1145 PolarHBondContact O-N 2.9Å; V1143-A1145 VanDerWaalsContact C-N 3.32Å; V1143-A1145 PolarHBondContact O-N 3.39Å |
| 1146 | R | 32.7 | Very low | 34.3 | Very low | 182 Ų | 182 | 94 Ų | 94 | 69% | 0.687 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -104.9 | -8.7 | 177.7 | -73.9 | -170.7 | 167.6 | -164.6 | -5.2 | 114.5 | V1143 D1144 | V1143-R1146 PolarHBondContact O-N 3.07Å; V1143-R1146 VanDerWaalsContact O-N 3.15Å; D1144-R1146 PolarHBondContact O-N 3.17Å; D1144-R1146 VanDerWaalsContact O-N 3.11Å |
| 1147 | L | 29.1 | Very low | 33.7 | Very low | 91 Ų | 91 | 99.7 Ų | 99.7 | 48% | 0.476 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -93.4 | -17.2 | -179.2 | -80 | 165.7 | 0 | 0 | 0 | 113.8 | I1117 V1143 D1144 | I1117-L1147 HydrophobicContact CD1-CD2 4.48Å; V1143-L1147 HydrophobicContact CG1-CD1 3.89Å; V1143-L1147 PolarHBondContact O-N 3.31Å; D1144-L1147 PolarHBondContact O-N 2.92Å |
| 1148 | T | 29.4 | Very low | 32.5 | Very low | 110 Ų | 110 | 102.6 Ų | 102.6 | 68% | 0.675 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -93.8 | -7.1 | -168.4 | 44 | 0 | 0 | 0 | 0 | 116.4 | D1144 | D1144-T1148 PolarHBondContact O-OG1 3.11Š|
| 1149 | T | 28.4 | Very low | 31.3 | Very low | 115 Ų | 115 | 104.1 Ų | 104.1 | 71% | 0.706 | 62% | 0.616 | S | S | * | * | trans | -100.7 | 7.4 | -172.5 | 22.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1150 | F | 23.6 | Very low | 30.1 | Very low | 178 Ų | 178 | 110.5 Ų | 110.5 | 78% | 0.781 | 64% | 0.638 | S | S | * | * | trans | -100.2 | 59.5 | 178.2 | -83.3 | -80 | 0 | 0 | 0 | 113.8 | ||||
| 1151 | V | 25.9 | Very low | 29.2 | Very low | 137 Ų | 137 | 115.5 Ų | 115.5 | 83% | 0.83 | 65% | 0.652 | S | S | * | * | trans | -134.7 | 131 | 163.6 | -175.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 1152 | Q | 24.3 | Very low | 27.9 | Very low | 174 Ų | 174 | 122.2 Ų | 122.2 | 81% | 0.813 | 68% | 0.681 | S | S | * | * | trans | -58.8 | 150.9 | -168.9 | -58.4 | 158.6 | -35 | 0 | 0 | 116.1 | ||||
| 1153 | T | 24.9 | Very low | 26.7 | Very low | 138 Ų | 138 | 126 Ų | 126 | 85% | 0.847 | 69% | 0.691 | S | S | * | * | -176.1 | 158.2 | 111.5 | 24.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1154 | P | 25.2 | Very low | 25.9 | Very low | 122 Ų | 122 | 127 Ų | 127 | 79% | 0.792 | 70% | 0.701 | S | S | * | * | trans | -105.1 | 163.7 | -165.2 | 39.4 | -34 | 0 | 0 | 0 | 116.1 | ||||
| 1155 | V | 23 | Very low | 25.2 | Very low | 137 Ų | 137 | 127.2 Ų | 127.2 | 83% | 0.83 | 71% | 0.709 | S | S | * | * | trans | -124.6 | 137.7 | -173.4 | 176.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1156 | P | 27.4 | Very low | 24.2 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 75% | 0.747 | 71% | 0.711 | S | S | * | * | trans | -106.7 | 163.8 | 164.2 | 37.1 | -28.6 | 0 | 0 | 0 | 113.9 | ||||
| 1157 | P | 29.2 | Very low | 23.7 | Very low | 126 Ų | 126 | 123.4 Ų | 123.4 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | trans | -111 | 172.8 | -162.3 | 41.6 | -35.1 | 0 | 0 | 0 | 115.7 | ||||
| 1158 | C | 19.9 | Very low | 23.4 | Very low | 117 Ų | 117 | 120.3 Ų | 120.3 | 79% | 0.791 | 68% | 0.679 | S | S | * | * | 165 | 134.4 | 121.8 | -156.6 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1159 | S | 21.5 | Very low | 23.1 | Very low | 94 Ų | 94 | 118.7 Ų | 118.7 | 66% | 0.657 | 67% | 0.668 | S | S | * | * | trans | 67 | 108.6 | 146.7 | -68.2 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 1160 | Q | 19.8 | Very low | 22.9 | Very low | 174 Ų | 174 | 118.3 Ų | 118.3 | 81% | 0.813 | 66% | 0.661 | S | S | * | * | 42.1 | 125.2 | 113.4 | -61.3 | -179 | -12.9 | 0 | 0 | 122.7 | |||||
| 1161 | R | 21.4 | Very low | 22.9 | Very low | 140 Ų | 140 | 116.5 Ų | 116.5 | 53% | 0.528 | 66% | 0.658 | S | S | . | * | 179.7 | 122.2 | 98.9 | -99.3 | -173.6 | -176.9 | 172.4 | 1.2 | 116.9 | L1830 | R1161-L1830 VanDerWaalsContact NH1-CG 3.33Š| |||
| 1162 | Q | 20.2 | Very low | 22.7 | Very low | 158 Ų | 158 | 117.6 Ų | 117.6 | 74% | 0.738 | 65% | 0.654 | S | S | * | * | 39.5 | 123.4 | 116.8 | -71.8 | -167.3 | -43.8 | 0 | 0 | 124 | |||||
| 1163 | L | 20.2 | Very low | 22.6 | Very low | 142 Ų | 142 | 114 Ų | 114 | 74% | 0.743 | 65% | 0.649 | S | S | * | * | 117.2 | 139.3 | 113 | -119.9 | 75 | 0 | 0 | 0 | 122.8 | |||||
| 1164 | S | 21 | Very low | 22.5 | Very low | 90 Ų | 90 | 114 Ų | 114 | 63% | 0.629 | 64% | 0.643 | S | S | * | * | trans | 81.6 | 91.6 | 135.7 | 57.3 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1165 | S | 20.1 | Very low | 22.3 | Very low | 79 Ų | 79 | 114.5 Ų | 114.5 | 55% | 0.552 | 64% | 0.639 | S | S | * | * | 73.3 | 140.7 | 98.8 | 81 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 1166 | H | 21.5 | Very low | 22.4 | Very low | 105 Ų | 105 | 114.4 Ų | 114.4 | 49% | 0.486 | 64% | 0.639 | S | S | . | * | trans | 85.8 | 111.1 | 137.6 | -68.7 | -36.2 | 0 | 0 | 0 | 122.6 | A1794 | H1166-A1794 HydrophobicContact CB-CB 4.5Å; H1166-A1794 VanDerWaalsContact ND1-CB 3.34Å; H1166-A1794 WeakPolarHBondContact ND1-CB 3.49Å | ||
| 1167 | S | 22.1 | Very low | 22.1 | Very low | 50 Ų | 50 | 112.8 Ų | 112.8 | 35% | 0.35 | 64% | 0.635 | S | S | . | * | 118.8 | 122.4 | 107.8 | 73.7 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1168 | E | 22.7 | Very low | 21.9 | Very low | 26 Ų | 26 | 116.2 Ų | 116.2 | 12% | 0.121 | 64% | 0.637 | C | S | . | * | 84.7 | 131.1 | 116.9 | -84.9 | -95.5 | 86.1 | 0 | 0 | 123.8 | Q1788 E1791 N1792 K1795 | E1168-Q1788 PolarHBondContact OE1-NE2 2.78Å; E1168-E1791 VanDerWaalsContact CA-OE2 3.26Å; E1168-E1791 WeakPolarHBondContact CA-OE2 3.41Å; E1168-E1791 HydrophobicContact CB-CB 4.27Å; E1168-E1791 HydrophobicContact CG-CB 3.52Å; E1168-E1791 HydrophobicContact CG-CG 4.44Å; E1168-E1791 WeakPolarHBondContact CG-O 3.44Å; E1168-E1791 WeakPolarHBondContact OE1-CA 3.27Å; E1168-E1791 WeakPolarHBondContact OE1-CB 3.02Å; E1168-N1792 WeakPolarHBondContact OE1-CA 3.28Å; E1168-N1792 PolarHBondContact OE1-N 3.28Å; E1168-N1792 WeakPolarHBondContact OE2-CA 3.19Å; E1168-N1792 PolarHBondContact OE2-OD1 3.45Å; E1168-K1795 HydrophobicContact CB-CD 3.43Å; E1168-K1795 VanDerWaalsContact CB-CD 3.43Å; E1168-K1795 HydrophobicContact CB-CG 3.92Å; E1168-K1795 HydrophobicContact CG-CB 3.85Å; E1168-K1795 HydrophobicContact CG-CD 3.64Å; E1168-K1795 HydrophobicContact CG-CG 3.67Å; E1168-K1795 PolarHBondContact O-NZ 2.73Å; E1168-K1795 WeakPolarHBondContact OE2-CB 3.43Å; E1168-K1795 WeakPolarHBondContact OE2-CD 3.48Å | |||
| 1169 | V | 23.7 | Very low | 22 | Very low | 75 Ų | 75 | 115.9 Ų | 115.9 | 46% | 0.455 | 64% | 0.637 | S | S | . | * | trans | 106.2 | 104.1 | 139.5 | 171.2 | 0 | 0 | 0 | 0 | 119.7 | E1791 | V1169-E1791 PolarHBondContact N-OE2 3.49Š| ||
| 1170 | L | 23.2 | Very low | 22 | Very low | 107 Ų | 107 | 116.9 Ų | 116.9 | 56% | 0.56 | 64% | 0.638 | S | S | * | * | 38.9 | 132.7 | 121 | -143.7 | 78.5 | 0 | 0 | 0 | 120.8 | Q1788 | L1170-Q1788 HydrophobicContact CD1-CG 3.89Š| |||
| 1171 | I | 23.1 | Very low | 22.1 | Very low | 140 Ų | 140 | 116.3 Ų | 116.3 | 72% | 0.718 | 64% | 0.636 | S | S | * | * | -178.7 | 120.6 | 114.4 | -90 | 155.3 | 0 | 0 | 0 | 112.8 | |||||
| 1172 | Q | 22.2 | Very low | 22.1 | Very low | 161 Ų | 161 | 115.8 Ų | 115.8 | 75% | 0.752 | 64% | 0.639 | S | S | * | * | trans | 18.5 | 134.8 | 142.2 | -42.1 | 172.8 | -22.7 | 0 | 0 | 121.1 | ||||
| 1173 | S | 22.4 | Very low | 22.2 | Very low | 99 Ų | 99 | 116.5 Ų | 116.5 | 69% | 0.692 | 64% | 0.64 | S | S | * | * | 152.4 | 133 | 92.6 | 60.1 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 1174 | N | 22.1 | Very low | 22.7 | Very low | 136 Ų | 136 | 114.5 Ų | 114.5 | 73% | 0.727 | 64% | 0.635 | S | S | * | * | trans | 70.6 | 111.9 | 132 | -66.7 | -12 | 0 | 0 | 0 | 125 | ||||
| 1175 | N | 21.9 | Very low | 22.6 | Very low | 134 Ų | 134 | 119.1 Ų | 119.1 | 72% | 0.717 | 64% | 0.644 | S | S | * | * | 98.9 | 141.2 | 111.4 | -80.1 | -23.8 | 0 | 0 | 0 | 124.7 | |||||
| 1176 | T | 24.2 | Very low | 22.7 | Very low | 135 Ų | 135 | 122 Ų | 122 | 83% | 0.828 | 65% | 0.653 | S | S | * | * | trans | 74.1 | 147.9 | 153.5 | 57.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1177 | A | 22 | Very low | 22.8 | Very low | 80 Ų | 80 | 123.3 Ų | 123.3 | 66% | 0.661 | 66% | 0.663 | S | S | * | * | cis | -173.7 | 168.8 | -24.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1178 | K | 24 | Very low | 23 | Very low | 198 Ų | 198 | 125.7 Ų | 125.7 | 86% | 0.861 | 68% | 0.676 | S | S | * | * | trans | 82.4 | 123.2 | 150.1 | -75.3 | 172.5 | -179.1 | 176.5 | 0 | 122.8 | ||||
| 1179 | S | 22 | Very low | 23.1 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 78% | 0.776 | 69% | 0.69 | S | S | * | * | 77.9 | 144 | 121.5 | -169.7 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1180 | V | 21.4 | Very low | 23.2 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 70% | 0.697 | 69% | 0.689 | S | S | * | * | cis | 179.6 | 161.5 | -34.4 | 131.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1181 | Q | 22.6 | Very low | 23.3 | Very low | 161 Ų | 161 | 127.2 Ų | 127.2 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | trans | 87.3 | 96.3 | 160.2 | -93.2 | 161.7 | -3.4 | 0 | 0 | 123.7 | ||||
| 1182 | E | 20.8 | Very low | 23.9 | Very low | 130 Ų | 130 | 126 Ų | 126 | 61% | 0.607 | 70% | 0.695 | S | S | * | * | 54.7 | 117.4 | 111.1 | -65.3 | -164.8 | 109.1 | 0 | 0 | 125.8 | |||||
| 1183 | K | 22.2 | Very low | 24.6 | Very low | 172 Ų | 172 | 124.7 Ų | 124.7 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | 68 | 167.9 | 123.3 | -68.2 | 177.8 | -177.8 | 156.8 | 0 | 120.6 | |||||
| 1184 | P | 30.8 | Very low | 24.8 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 65% | 0.649 | 71% | 0.709 | S | S | * | * | -146.1 | -173.3 | -50.7 | 45.3 | -28.4 | 0 | 0 | 0 | 115.8 | |||||
| 1185 | K | 20.8 | Very low | 25.1 | Very low | 187 Ų | 187 | 128.4 Ų | 128.4 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | trans | 80 | 112.8 | 146.1 | -78.9 | 176.4 | -178.5 | -176.2 | 0 | 124.3 | ||||
| 1186 | L | 21.2 | Very low | 25.3 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | 73 | 119.8 | 105.9 | -141 | 83.6 | 0 | 0 | 0 | 123.2 | |||||
| 1187 | N | 23.7 | Very low | 25.5 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | 157.4 | 116.2 | 114.6 | -92.5 | -33.9 | 0 | 0 | 0 | 117.9 | |||||
| 1188 | T | 25.2 | Very low | 25.6 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 61% | 0.613 | 71% | 0.709 | S | S | * | * | 51.9 | 134.2 | 114.5 | -32.5 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1189 | V | 26.3 | Very low | 25.7 | Very low | 70 Ų | 70 | 131 Ų | 131 | 42% | 0.424 | 70% | 0.702 | S | S | . | * | 158.8 | 109.8 | 117.2 | 166.9 | 0 | 0 | 0 | 0 | 120 | L1474 Q1475 | V1189-L1474 VanDerWaalsContact CG1-C 3.41Å; V1189-L1474 VanDerWaalsContact CG1-O 3.29Å; V1189-L1474 WeakPolarHBondContact CG1-O 3.35Å; V1189-L1474 WeakPolarHBondContact CG2-O 3.46Å; V1189-Q1475 WeakPolarHBondContact CG1-O 3.33Å | |||
| 1190 | I | 25.7 | Very low | 25.9 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 44% | 0.436 | 70% | 0.701 | S | S | . | * | 40.7 | 130.8 | 123.3 | -39.8 | 171.5 | 0 | 0 | 0 | 127.1 | I1473 | I1190-I1473 VanDerWaalsContact CD1-O 3.31Å; I1190-I1473 WeakPolarHBondContact CD1-O 3.41Å | |||
| 1191 | S | 25.5 | Very low | 26.3 | Very low | 85 Ų | 85 | 134.8 Ų | 134.8 | 59% | 0.594 | 71% | 0.712 | S | S | * | * | 162.9 | 120.8 | 115 | -65.6 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1192 | S | 35 | Very low | 26.6 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | trans | 19.4 | 156.8 | 137.6 | -51.6 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1193 | P | 37.4 | Very low | 27 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 87% | 0.87 | 72% | 0.721 | S | S | * | * | -149.3 | -154.2 | 50.1 | 42.1 | -17.7 | 0 | 0 | 0 | 119.2 | |||||
| 1194 | K | 25.5 | Very low | 27.9 | Very low | 201 Ų | 201 | 132.3 Ų | 132.3 | 87% | 0.874 | 72% | 0.723 | S | S | * | * | trans | -119.5 | 158.2 | -149.8 | -51.2 | 169.8 | 175 | 179.4 | 0 | 117.2 | ||||
| 1195 | S | 28.2 | Very low | 28.3 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | 154.3 | 124.3 | 107 | 70.8 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 1196 | K | 26.1 | Very low | 29.1 | Very low | 175 Ų | 175 | 134 Ų | 134 | 76% | 0.761 | 74% | 0.735 | S | S | * | * | trans | 78.2 | 129 | 131.8 | -82 | -173.1 | 146.7 | -100.2 | 0 | 128.1 | ||||
| 1197 | D | 28.3 | Very low | 29.7 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 62% | 0.615 | 73% | 0.732 | S | S | * | * | trans | 90.1 | 106.7 | 133.1 | -66.4 | -1.1 | 0 | 0 | 0 | 123.5 | ||||
| 1198 | K | 25.2 | Very low | 30.5 | Very low | 180 Ų | 180 | 136.6 Ų | 136.6 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | 103.5 | 138 | 129.7 | -77.2 | -168.5 | 175.4 | -160.4 | 0 | 125.6 | |||||
| 1199 | D | 26.2 | Very low | 31.1 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | trans | 81.6 | 100.5 | 150.9 | -56.4 | -15.3 | 0 | 0 | 0 | 122.5 | ||||
| 1200 | S | 25.6 | Very low | 31.5 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | 35 | 124.8 | 136.4 | 62.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1201 | E | 29.9 | Very low | 32.4 | Very low | 196 Ų | 196 | 140.1 Ų | 140.1 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | -170.7 | 142.2 | 107.8 | -102.5 | 172.8 | 178.6 | 0 | 0 | 110.9 | |||||
| 1202 | Q | 30.1 | Very low | 32.7 | Very low | 199 Ų | 199 | 140.7 Ų | 140.7 | 93% | 0.93 | 75% | 0.75 | S | S | * | * | trans | -93.8 | 143.4 | -167.3 | -71.2 | 169.5 | -59.6 | 0 | 0 | 113.5 | ||||
| 1203 | S | 28.9 | Very low | 32.8 | Very low | 90 Ų | 90 | 143.6 Ų | 143.6 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | trans | -96 | 145.5 | -175.2 | 46.4 | 0 | 0 | 0 | 0 | 113.9 | E1205 | S1203-E1205 VanDerWaalsContact C-N 3.31Å; S1203-E1205 PolarHBondContact O-N 2.97Å; S1203-E1205 VanDerWaalsContact O-N 3.16Å | ||
| 1204 | P | 40.9 | Very low | 32.8 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | trans | -87.6 | 28.4 | -167.7 | 37.9 | -39.3 | 0 | 0 | 0 | 115 | V1206 | P1204-V1206 PolarHBondContact O-N 3.3Š| ||
| 1205 | E | 39.7 | Very low | 33.3 | Very low | 179 Ų | 179 | 137.4 Ų | 137.4 | 84% | 0.836 | 73% | 0.727 | S | S | * | * | trans | -86.1 | 22.1 | -172.7 | -62.5 | -178.9 | 170.4 | 0 | 0 | 113.6 | S1203 | S1203-E1205 VanDerWaalsContact C-N 3.31Å; S1203-E1205 PolarHBondContact O-N 2.97Å; S1203-E1205 VanDerWaalsContact O-N 3.16Å | ||
| 1206 | V | 36.9 | Very low | 34.3 | Very low | 144 Ų | 144 | 139 Ų | 139 | 87% | 0.873 | 73% | 0.732 | S | S | * | * | trans | -131.4 | 56.9 | -179.8 | -164.7 | 0 | 0 | 0 | 0 | 110.5 | P1204 | P1204-V1206 PolarHBondContact O-N 3.3Š| ||
| 1207 | Y | 34.5 | Very low | 34.7 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 67% | 0.667 | 72% | 0.723 | S | S | * | * | trans | -134.7 | 107.4 | 168.8 | 179.9 | -92.9 | 0 | 0 | 0 | 109.3 | P1209 | Y1207-P1209 HydrophobicContact CE1-CB 4.48Š| ||
| 1208 | E | 39 | Very low | 35.6 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | trans | -110.4 | 135.4 | 169 | -73.1 | -174.9 | 148.3 | 0 | 0 | 109.2 | ||||
| 1209 | P | 37.5 | Very low | 36.1 | Very low | 76 Ų | 76 | 130.8 Ų | 130.8 | 49% | 0.494 | 70% | 0.704 | S | S | . | * | trans | -83 | 135.7 | -173.3 | 31.7 | -34.3 | 0 | 0 | 0 | 113.4 | Y1207 V1211 | Y1207-P1209 HydrophobicContact CE1-CB 4.48Å; P1209-V1211 PolarHBondContact O-N 2.84Å; P1209-V1211 VanDerWaalsContact O-N 3.12Å | ||
| 1210 | D | 36.4 | Very low | 36.7 | Very low | 165 Ų | 165 | 128.9 Ų | 128.9 | 88% | 0.882 | 69% | 0.693 | S | S | * | * | trans | -84.9 | 80.7 | -177 | -150.7 | 2.6 | 0 | 0 | 0 | 110.9 | D1212 | D1210-D1212 PolarHBondContact O-N 3.16Š| ||
| 1211 | V | 43.9 | Very low | 37.1 | Very low | 89 Ų | 89 | 128.9 Ų | 128.9 | 54% | 0.539 | 69% | 0.691 | S | S | . | * | trans | -82 | 113.1 | -178 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | P1209 F1213 | P1209-V1211 PolarHBondContact O-N 2.84Å; P1209-V1211 VanDerWaalsContact O-N 3.12Å; V1211-F1213 HydrophobicContact CG1-CE2 4.2Å; V1211-F1213 HydrophobicContact CG1-CZ 4.32Å | ||
| 1212 | D | 32 | Very low | 37.4 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 51% | 0.513 | 69% | 0.686 | S | S | . | * | trans | -118.7 | 122.4 | -167.5 | -177.2 | -20.1 | 0 | 0 | 0 | 111.6 | R108 D1210 | R108-D1212 VanDerWaalsContact CZ-CB 3.46Å; R108-D1212 IonicContact CZ-OD1 3.14Å; R108-D1212 IonicContact CZ-OD2 3.84Å; R108-D1212 IonicContact NH1-OD1 2.69Å; R108-D1212 IonicContact NH1-OD2 2.82Å; R108-D1212 PolarHBondContact NH1-OD2 3.13Å; R108-D1212 VanDerWaalsContact NH2-CB 3.29Å; R108-D1212 PolarHBondContact NH2-O 3.21Å; R108-D1212 IonicContact NH2-OD1 2.76Å; R108-D1212 PolarHBondContact NH2-OD1 3.4Å; R108-D1212 IonicContact NH2-OD2 3.23Å; R108-D1212 PolarHBondContact NH2-OD2 3.04Å; D1210-D1212 PolarHBondContact O-N 3.16Å | ||
| 1213 | F | 36.3 | Very low | 37.7 | Very low | 176 Ų | 176 | 125.2 Ų | 125.2 | 77% | 0.772 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 122.4 | -165.3 | -67 | -98.9 | 0 | 0 | 0 | 113.4 | V1211 | V1211-F1213 HydrophobicContact CG1-CE2 4.2Å; V1211-F1213 HydrophobicContact CG1-CZ 4.32Å |
| 1214 | T | 37.5 | Very low | 38.1 | Very low | 115 Ų | 115 | 126 Ų | 126 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 117.7 | 169.7 | 50.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1215 | P | 36.5 | Very low | 37.6 | Very low | 90 Ų | 90 | 125.9 Ų | 125.9 | 58% | 0.584 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 139 | -176.5 | 28.2 | -33.8 | 0 | 0 | 0 | 113.3 | L1217 L1220 | P1215-L1217 PolarHBondContact O-N 2.78Å; P1215-L1220 HydrophobicContact CG-CD1 3.88Å |
| 1216 | V | 49.2 | Very low | 37.4 | Very low | 146 Ų | 146 | 125 Ų | 125 | 89% | 0.885 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -84.8 | 44 | -172.8 | -166.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1217 | L | 34.3 | Very low | 37.1 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 56% | 0.56 | 66% | 0.662 | S | S | * | * | trans | -130.5 | 99.4 | 174.7 | -72.8 | 172.2 | 0 | 0 | 0 | 109.2 | P1215 T1219 L1220 | P1215-L1217 PolarHBondContact O-N 2.78Å; L1217-T1219 PolarHBondContact O-N 2.98Å; L1217-T1219 VanDerWaalsContact O-N 3.12Å; L1217-L1220 HydrophobicContact CB-CD2 3.96Å; L1217-L1220 HydrophobicContact CB-CG 4.07Å; L1217-L1220 HydrophobicContact CD1-CD2 3.84Å; L1217-L1220 PolarHBondContact O-N 3.41Å; L1217-L1220 VanDerWaalsContact O-N 3.09Å | ||
| 1218 | E | 46.9 | Very low | 37.4 | Very low | 106 Ų | 106 | 120.3 Ų | 120.3 | 50% | 0.495 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.8 | -20.7 | 178.4 | -75.3 | -158.6 | 157.2 | 0 | 0 | 113.6 | R167 N170 | R167-E1218 WeakPolarHBondContact CD-OE1 3.42Å; N170-E1218 PolarHBondContact ND2-OE2 3.45Å |
| 1219 | T | 35.7 | Very low | 38.3 | Very low | 83 Ų | 83 | 120.3 Ų | 120.3 | 51% | 0.509 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -128 | 85.6 | 158.2 | 58.8 | 0 | 0 | 0 | 0 | 107.9 | L1217 | L1217-T1219 PolarHBondContact O-N 2.98Å; L1217-T1219 VanDerWaalsContact O-N 3.12Å |
| 1220 | L | 38.8 | Very low | 39.3 | Very low | 93 Ų | 93 | 117.5 Ų | 117.5 | 49% | 0.487 | 63% | 0.625 | S | S | . | * | trans | -47.9 | 142.1 | 145.3 | -72.3 | 167.5 | 0 | 0 | 0 | 107.3 | P1215 L1217 D1222 | P1215-L1220 HydrophobicContact CG-CD1 3.88Å; L1217-L1220 HydrophobicContact CB-CD2 3.96Å; L1217-L1220 HydrophobicContact CB-CG 4.07Å; L1217-L1220 HydrophobicContact CD1-CD2 3.84Å; L1217-L1220 PolarHBondContact O-N 3.41Å; L1217-L1220 VanDerWaalsContact O-N 3.09Å; L1220-D1222 PolarHBondContact O-N 2.8Å | ||
| 1221 | P | 34.2 | Very low | 40.7 | Very low | 109 Ų | 109 | 115.5 Ų | 115.5 | 71% | 0.708 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -46.9 | 142.4 | 164.2 | -23.3 | 33.3 | 0 | 0 | 0 | 108.4 | L1223 | P1221-L1223 PolarHBondContact O-N 3.22Š|
| 1222 | D | 37.2 | Very low | 42.1 | Very low | 152 Ų | 152 | 116.1 Ų | 116.1 | 81% | 0.813 | 61% | 0.611 | S | S | * | * | trans | -36.5 | 131.6 | -178.9 | -76.4 | -26 | 0 | 0 | 0 | 109.3 | L1220 V1224 | L1220-D1222 PolarHBondContact O-N 2.8Å; D1222-V1224 WeakPolarHBondContact O-CG2 3.22Å; D1222-V1224 PolarHBondContact O-N 2.87Å | ||
| 1223 | L | 35.8 | Very low | 44.5 | Very low | 166 Ų | 166 | 112.9 Ų | 112.9 | 87% | 0.869 | 59% | 0.593 | S | S | * | * | trans | -55.9 | 91.4 | -179.2 | -179.1 | 74.7 | 0 | 0 | 0 | 107.7 | P1221 E1225 | P1221-L1223 PolarHBondContact O-N 3.22Å; L1223-E1225 PolarHBondContact O-N 2.95Å | ||
| 1224 | V | 37.8 | Very low | 46.9 | Very low | 107 Ų | 107 | 109.9 Ų | 109.9 | 65% | 0.648 | 58% | 0.581 | S | S | * | * | trans | -62.8 | 103.9 | 168.7 | 179.6 | 0 | 0 | 0 | 0 | 100.9 | D1222 L1226 | D1222-V1224 WeakPolarHBondContact O-CG2 3.22Å; D1222-V1224 PolarHBondContact O-N 2.87Å; V1224-L1226 VanDerWaalsContact C-N 3.26Å; V1224-L1226 PolarHBondContact O-N 2.92Å | ||
| 1225 | E | 30.2 | Very low | 49.3 | Very low | 120 Ų | 120 | 111.9 Ų | 111.9 | 56% | 0.561 | 58% | 0.576 | S | S | * | * | trans | -47.5 | 109.7 | 161.9 | -74.6 | -174.7 | 155.6 | 0 | 0 | 103.8 | L1223 R1227 | L1223-E1225 PolarHBondContact O-N 2.95Å; E1225-R1227 HydrophobicContact CB-CG 3.98Å; E1225-R1227 PolarHBondContact O-N 2.89Å; E1225-R1227 IonicContact OE2-CZ 2.93Å; E1225-R1227 IonicContact OE2-NE 2.74Å; E1225-R1227 PolarHBondContact OE2-NE 2.96Å; E1225-R1227 IonicContact OE2-NH2 2.78Å; E1225-R1227 PolarHBondContact OE2-NH2 3.41Å | ||
| 1226 | L | 34.4 | Very low | 51.7 | Low | 160 Ų | 160 | 110.3 Ų | 110.3 | 84% | 0.838 | 56% | 0.562 | S | S | * | * | trans | -72.9 | 57.5 | 172.5 | -80.5 | 167 | 0 | 0 | 0 | 107.1 | V1224 S1228 | V1224-L1226 VanDerWaalsContact C-N 3.26Å; V1224-L1226 PolarHBondContact O-N 2.92Å; L1226-S1228 PolarHBondContact O-N 3.24Å | ||
| 1227 | R | 32.2 | Very low | 53.8 | Low | 171 Ų | 171 | 103.7 Ų | 103.7 | 65% | 0.645 | 52% | 0.521 | S | S | * | . | trans | -50 | 103.9 | 150.5 | -61.6 | -175 | -170.5 | -172.9 | 1.7 | 103.4 | E1225 E1229 E1231 | E1225-R1227 HydrophobicContact CB-CG 3.98Å; E1225-R1227 PolarHBondContact O-N 2.89Å; E1225-R1227 IonicContact OE2-CZ 2.93Å; E1225-R1227 IonicContact OE2-NE 2.74Å; E1225-R1227 PolarHBondContact OE2-NE 2.96Å; E1225-R1227 IonicContact OE2-NH2 2.78Å; E1225-R1227 PolarHBondContact OE2-NH2 3.41Å; R1227-E1229 PolarHBondContact O-N 3.43Å; R1227-E1231 WeakPolarHBondContact CA-OE1 3.45Å; R1227-E1231 WeakPolarHBondContact CA-OE2 3.07Å | ||
| 1228 | S | 40 | Very low | 56.6 | Low | 44 Ų | 44 | 99.4 Ų | 99.4 | 31% | 0.308 | 50% | 0.5 | S | S | . | . | trans | -54 | 135.4 | 167.3 | 59.7 | 0 | 0 | 0 | 0 | 105.9 | L1226 E1230 E1231 | L1226-S1228 PolarHBondContact O-N 3.24Å; S1228-E1230 PolarHBondContact O-N 2.89Å; S1228-E1231 WeakPolarHBondContact CB-OE1 3.48Å; S1228-E1231 PolarHBondContact N-OE1 3.14Å; S1228-E1231 WeakPolarHBondContact O-CB 3.44Å; S1228-E1231 PolarHBondContact O-N 2.8Å; S1228-E1231 WeakPolarHBondContact OG-CG 3.31Å; S1228-E1231 PolarHBondContact OG-OE1 3.28Å | ||
| 1229 | E | 57 | Low | 58.8 | Low | 155 Ų | 155 | 98.4 Ų | 98.4 | 72% | 0.724 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -2.2 | 175.8 | -61.4 | -176.8 | 160.5 | 0 | 0 | 112.5 | R1227 R1273 | R1227-E1229 PolarHBondContact O-N 3.43Å; E1229-R1273 VanDerWaalsContact C-NH2 3.33Å; E1229-R1273 PolarHBondContact O-NH2 3.49Å; E1229-R1273 IonicContact OE2-NH1 3.94Å |
| 1230 | E | 59.6 | Low | 61.5 | Low | 18 Ų | 18 | 100.5 Ų | 100.5 | 8% | 0.084 | 49% | 0.494 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -19.3 | 173.9 | -49.4 | 179.5 | -151.2 | 0 | 0 | 113.1 | S1228 E1233 K1262 L1264 R1277 | S1228-E1230 PolarHBondContact O-N 2.89Å; E1230-E1233 PolarHBondContact O-N 3.18Å; E1230-K1262 WeakPolarHBondContact OE2-CD 3.26Å; E1230-K1262 IonicContact OE2-NZ 2.68Å; E1230-K1262 PolarHBondContact OE2-NZ 3.38Å; E1230-L1264 HydrophobicContact CB-CD1 3.67Å; E1230-L1264 HydrophobicContact CG-CD1 3.59Å; E1230-R1277 IonicContact OE1-CZ 2.76Å; E1230-R1277 VanDerWaalsContact OE1-CZ 3.26Å; E1230-R1277 IonicContact OE1-NE 3.3Å; E1230-R1277 PolarHBondContact OE1-NE 3.44Å; E1230-R1277 IonicContact OE1-NH2 3.75Å; E1230-R1277 PolarHBondContact OE1-NH2 3.25Å |
| 1231 | E | 65.9 | Low | 64.1 | Low | 122 Ų | 122 | 96.2 Ų | 96.2 | 57% | 0.57 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -35.3 | -174.8 | -89.5 | 154.7 | -118.4 | 0 | 0 | 114.3 | R1227 S1228 E1233 | R1227-E1231 WeakPolarHBondContact CA-OE1 3.45Å; R1227-E1231 WeakPolarHBondContact CA-OE2 3.07Å; S1228-E1231 WeakPolarHBondContact CB-OE1 3.48Å; S1228-E1231 PolarHBondContact N-OE1 3.14Å; S1228-E1231 WeakPolarHBondContact O-CB 3.44Å; S1228-E1231 PolarHBondContact O-N 2.8Å; S1228-E1231 WeakPolarHBondContact OG-CG 3.31Å; S1228-E1231 PolarHBondContact OG-OE1 3.28Å; E1231-E1233 PolarHBondContact O-N 2.73Å |
| 1232 | D | 72.8 | Confident | 67 | Low | 102 Ų | 102 | 95.9 Ų | 95.9 | 55% | 0.545 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 3.3 | 175.1 | -110.7 | 19.5 | 0 | 0 | 0 | 111.9 | P1267 K1268 | D1232-P1267 WeakPolarHBondContact O-CD 3.41Å; D1232-K1268 IonicContact OD2-NZ 3.67Å; D1232-K1268 PolarHBondContact OD2-NZ 3.42Å |
| 1233 | E | 83.1 | Confident | 69.9 | Low | 29 Ų | 29 | 88.7 Ų | 88.7 | 14% | 0.136 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -118.1 | 135.8 | -174.5 | -57.2 | -168.9 | 138.8 | 0 | 0 | 113.2 | E1230 E1231 R1235 L1264 N1266 R1273 | E1230-E1233 PolarHBondContact O-N 3.18Å; E1231-E1233 PolarHBondContact O-N 2.73Å; E1233-R1235 PolarHBondContact O-N 3.4Å; E1233-L1264 HydrophobicContact CB-CB 4.03Å; E1233-L1264 WeakPolarHBondContact OE2-CB 3.43Å; E1233-N1266 HydrophobicContact CG-CB 4.27Å; E1233-R1273 IonicContact OE1-CZ 2.57Å; E1233-R1273 IonicContact OE1-NE 2.74Å; E1233-R1273 IonicContact OE1-NH2 3.11Å; E1233-R1273 IonicContact OE2-CZ 2.95Å; E1233-R1273 IonicContact OE2-NE 2.99Å; E1233-R1273 PolarHBondContact OE2-NE 3.48Å; E1233-R1273 IonicContact OE2-NH2 2.8Å; E1233-R1273 PolarHBondContact OE2-NH2 3.29Å |
| 1234 | Q | 84.9 | Confident | 72.7 | Confident | 112 Ų | 112 | 82.1 Ų | 82.1 | 52% | 0.523 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 114 | 178.7 | -172 | 179.2 | 12.8 | 0 | 0 | 110.7 | L1236 K1265 | Q1234-L1236 HydrophobicContact CG-CD2 4.24Å; Q1234-L1236 PolarHBondContact O-N 2.9Å; Q1234-K1265 PolarHBondContact N-O 2.94Å; Q1234-K1265 PolarHBondContact O-N 2.92Å |
| 1235 | R | 88 | Confident | 75.3 | Confident | 157 Ų | 157 | 78.8 Ų | 78.8 | 59% | 0.592 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 110.7 | 170.4 | 173.2 | 179.2 | 160.9 | 166.7 | 1.6 | 110.6 | E1233 C1238 L1264 | E1233-R1235 PolarHBondContact O-N 3.4Å; R1235-C1238 HydrophobicContact CG-CB 4.2Å; R1235-C1238 VanDerWaalsContact NH2-CB 3.29Å; R1235-C1238 PolarHBondContact NH2-SG 3.38Å; R1235-C1238 VanDerWaalsContact NH2-SG 3.44Å; R1235-L1264 HydrophobicContact CB-CD2 4Å |
| 1236 | L | 88 | Confident | 78.2 | Confident | 57 Ų | 57 | 77.2 Ų | 77.2 | 30% | 0.298 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -37.6 | 176.6 | -61.4 | -176.7 | 0 | 0 | 0 | 112.4 | Q1234 I1263 K1265 I1340 | Q1234-L1236 HydrophobicContact CG-CD2 4.24Å; Q1234-L1236 PolarHBondContact O-N 2.9Å; L1236-I1263 HydrophobicContact CB-CG2 4.5Å; L1236-I1263 PolarHBondContact N-O 3.49Å; L1236-K1265 HydrophobicContact CD1-CB 3.72Å; L1236-K1265 HydrophobicContact CD1-CD 4.02Å; L1236-K1265 HydrophobicContact CD2-CB 4.42Å; L1236-K1265 HydrophobicContact CG-CB 3.94Å; L1236-I1340 HydrophobicContact CB-CG2 3.84Å; L1236-I1340 HydrophobicContact CD1-CG2 4.37Å |
| 1237 | F | 93.1 | Very high | 80.7 | Confident | 8 Ų | 8 | 71 Ų | 71 | 4% | 0.035 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 147.9 | 177.8 | 179.6 | -91.6 | 0 | 0 | 0 | 109.4 | E1239 A1261 K1262 I1263 F1328 I1333 F1337 I1340 | F1237-E1239 HydrophobicContact CE1-CB 3.89Å; F1237-E1239 HydrophobicContact CE1-CG 4.37Å; F1237-E1239 HydrophobicContact CE2-CB 4.3Å; F1237-E1239 HydrophobicContact CE2-CG 3.95Å; F1237-E1239 HydrophobicContact CZ-CB 3.56Å; F1237-E1239 HydrophobicContact CZ-CG 3.73Å; F1237-A1261 VanDerWaalsContact CD1-O 3.3Å; F1237-A1261 WeakPolarHBondContact CD1-O 3.11Å; F1237-A1261 WeakPolarHBondContact CE1-O 3.47Å; F1237-K1262 CarbonylContact O-C 3.53Å; F1237-K1262 VanDerWaalsContact O-CA 3.28Å; F1237-K1262 WeakPolarHBondContact O-CA 3.39Å; F1237-I1263 HydrophobicContact CB-CB 3.96Å; F1237-I1263 HydrophobicContact CB-CD1 4.12Å; F1237-I1263 HydrophobicContact CB-CG1 4.07Å; F1237-I1263 HydrophobicContact CD1-CG1 4.48Å; F1237-I1263 PolarHBondContact N-O 2.87Å; F1237-I1263 PolarHBondContact O-N 3.33Å; F1237-F1328 AromaticContact CE1-CE1 3.68Å; F1237-F1328 HydrophobicContact CE1-CE1 3.68Å; F1237-F1328 AromaticContact CE1-CZ 3.66Å; F1237-F1328 HydrophobicContact CE1-CZ 3.66Å; F1237-F1328 HydrophobicContact CZ-CD1 4.42Å; F1237-F1328 AromaticContact CZ-CE1 3.61Å; F1237-F1328 HydrophobicContact CZ-CE1 3.61Å; F1237-F1328 AromaticContact CZ-CZ 3.68Å; F1237-F1328 HydrophobicContact CZ-CZ 3.68Å; F1237-I1333 HydrophobicContact CE2-CG2 4.17Å; F1237-I1333 HydrophobicContact CZ-CG2 3.79Å; F1237-F1337 AromaticContact CD1-CD2 3.76Å; F1237-F1337 HydrophobicContact CD1-CD2 3.76Å; F1237-F1337 HydrophobicContact CD1-CE2 4.48Å; F1237-F1337 HydrophobicContact CD2-CB 4.37Å; F1237-F1337 HydrophobicContact CE1-CB 4.23Å; F1237-F1337 AromaticContact CE1-CD2 3.57Å; F1237-F1337 HydrophobicContact CE1-CD2 3.57Å; F1237-F1337 HydrophobicContact CE1-CE2 4.41Å; F1237-F1337 HydrophobicContact CE1-CG 4.32Å; F1237-F1337 HydrophobicContact CE2-CB 3.78Å; F1237-F1337 HydrophobicContact CE2-CD2 4.48Å; F1237-F1337 HydrophobicContact CG-CD2 4.3Å; F1237-F1337 HydrophobicContact CZ-CB 3.68Å; F1237-F1337 AromaticContact CZ-CD2 3.95Å; F1237-F1337 HydrophobicContact CZ-CD2 3.95Å; F1237-F1337 HydrophobicContact CZ-CG 4.25Å; F1237-I1340 HydrophobicContact CB-CD1 3.98Å; F1237-I1340 HydrophobicContact CB-CG2 4.26Å; F1237-I1340 HydrophobicContact CD2-CD1 3.98Å; F1237-I1340 HydrophobicContact CG-CD1 4.46Å |
| 1238 | C | 92.3 | Very high | 83 | Confident | 16 Ų | 16 | 70.6 Ų | 70.6 | 11% | 0.108 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.1 | 115.1 | 165.8 | 174.7 | 0 | 0 | 0 | 0 | 109.1 | R1235 A1261 K1262 | R1235-C1238 HydrophobicContact CG-CB 4.2Å; R1235-C1238 VanDerWaalsContact NH2-CB 3.29Å; R1235-C1238 PolarHBondContact NH2-SG 3.38Å; R1235-C1238 VanDerWaalsContact NH2-SG 3.44Å; C1238-A1261 WeakPolarHBondContact CA-O 3.35Å; C1238-K1262 HydrophobicContact CB-CG 4Å |
| 1239 | E | 94 | Very high | 84.6 | Confident | 85 Ų | 85 | 73.6 Ų | 73.6 | 40% | 0.397 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 155.4 | 176.4 | -77.6 | -71.9 | 176.3 | 0 | 0 | 109.5 | F1237 A1241 A1261 F1328 I1333 | F1237-E1239 HydrophobicContact CE1-CB 3.89Å; F1237-E1239 HydrophobicContact CE1-CG 4.37Å; F1237-E1239 HydrophobicContact CE2-CB 4.3Å; F1237-E1239 HydrophobicContact CE2-CG 3.95Å; F1237-E1239 HydrophobicContact CZ-CB 3.56Å; F1237-E1239 HydrophobicContact CZ-CG 3.73Å; E1239-A1241 PolarHBondContact O-N 2.8Å; E1239-A1261 PolarHBondContact N-O 3.48Å; E1239-A1261 PolarHBondContact O-N 3.32Å; E1239-F1328 HydrophobicContact CB-CD1 4.1Å; E1239-F1328 HydrophobicContact CB-CE1 3.94Å; E1239-I1333 HydrophobicContact CB-CG2 3.71Å; E1239-I1333 HydrophobicContact CG-CG1 4.41Å; E1239-I1333 HydrophobicContact CG-CG2 3.7Å |
| 1240 | R | 91.8 | Very high | 85.4 | Confident | 128 Ų | 128 | 68.5 Ų | 68.5 | 48% | 0.483 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 126.6 | -179.1 | -165.3 | 178.1 | -178.4 | 93.8 | -5.5 | 110.9 | D1279 | R1240-D1279 IonicContact CZ-OD1 3.57Å; R1240-D1279 VanDerWaalsContact CZ-OD1 3.3Å; R1240-D1279 IonicContact CZ-OD2 3.69Å; R1240-D1279 IonicContact NE-OD2 3.83Å; R1240-D1279 IonicContact NH1-OD1 2.77Å; R1240-D1279 PolarHBondContact NH1-OD1 2.87Å; R1240-D1279 IonicContact NH1-OD2 3.19Å; R1240-D1279 PolarHBondContact NH1-OD2 2.96Å; R1240-D1279 IonicContact NH2-OD1 2.64Å; R1240-D1279 PolarHBondContact NH2-OD1 3.23Å; R1240-D1279 IonicContact NH2-OD2 2.74Å; R1240-D1279 PolarHBondContact NH2-OD2 3.47Å |
| 1241 | A | 94.7 | Very high | 86.4 | Confident | 3 Ų | 3 | 75.1 Ų | 75.1 | 3% | 0.025 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 162.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1239 G1259 A1261 M1276 I1326 Q1327 F1328 | E1239-A1241 PolarHBondContact O-N 2.8Å; A1241-G1259 PolarHBondContact N-O 3.16Å; A1241-G1259 PolarHBondContact O-N 3.09Å; A1241-G1259 VanDerWaalsContact O-O 3.11Å; A1241-A1261 HydrophobicContact CB-CB 4Å; A1241-M1276 HydrophobicContact CB-CE 4.27Å; A1241-M1276 WeakPolarHBondContact O-CE 3.48Å; A1241-I1326 HydrophobicContact CB-CD1 3.78Å; A1241-I1326 HydrophobicContact CB-CG1 3.71Å; A1241-Q1327 CarbonylContact C-O 3.55Å; A1241-Q1327 VanDerWaalsContact CA-O 3.26Å; A1241-Q1327 WeakPolarHBondContact CA-O 3.37Å; A1241-F1328 HydrophobicContact CB-CD1 3.82Å; A1241-F1328 HydrophobicContact CB-CE1 3.61Å; A1241-F1328 HydrophobicContact CB-CZ 4.18Å |
| 1242 | R | 95.1 | Very high | 87.1 | Confident | 101 Ų | 101 | 71.4 Ų | 71.4 | 38% | 0.381 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 125.5 | 163.1 | -173.1 | 178.7 | -78.2 | 162.3 | -7.7 | 108.9 | F1244 T1255 L1258 I1326 Q1327 | R1242-F1244 HydrophobicContact CB-CE2 4.22Å; R1242-F1244 HydrophobicContact CG-CD2 4.48Å; R1242-F1244 HydrophobicContact CG-CE1 4.42Å; R1242-F1244 HydrophobicContact CG-CE2 3.78Å; R1242-F1244 HydrophobicContact CG-CZ 3.77Å; R1242-T1255 HydrophobicContact CG-CG2 3.95Å; R1242-L1258 HydrophobicContact CB-CD1 3.79Å; R1242-L1258 HydrophobicContact CG-CD1 4.22Å; R1242-I1326 CarbonylContact O-C 3.52Å; R1242-Q1327 HydrophobicContact CB-CB 4.31Å; R1242-Q1327 PolarHBondContact N-O 3.41Å; R1242-Q1327 PolarHBondContact O-N 2.99Å |
| 1243 | L | 96.5 | Very high | 87.9 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 136.6 | 178.6 | -174.4 | 72.1 | 0 | 0 | 0 | 110 | R1256 G1257 M1276 C1285 A1286 W1308 F1324 I1326 | L1243-R1256 HydrophobicContact CB-CB 4.47Å; L1243-R1256 HydrophobicContact CD2-CB 4.17Å; L1243-R1256 HydrophobicContact CD2-CG 4.24Å; L1243-R1256 HydrophobicContact CG-CB 4.18Å; L1243-R1256 PolarHBondContact O-N 2.87Å; L1243-G1257 PolarHBondContact N-O 2.96Å; L1243-G1257 PolarHBondContact O-N 2.78Å; L1243-G1257 VanDerWaalsContact O-N 3.17Å; L1243-M1276 HydrophobicContact CB-CE 3.97Å; L1243-M1276 HydrophobicContact CB-SD 3.62Å; L1243-M1276 HydrophobicContact CD2-SD 4.13Å; L1243-M1276 HydrophobicContact CG-SD 4.38Å; L1243-C1285 WeakPolarHBondContact CD2-O 3.27Å; L1243-A1286 HydrophobicContact CD2-CB 3.77Å; L1243-W1308 HydrophobicContact CD1-CH2 4.38Å; L1243-F1324 HydrophobicContact CD1-CB 4.06Å; L1243-F1324 HydrophobicContact CD1-CD1 3.94Å; L1243-F1324 HydrophobicContact CD1-CG 4.07Å; L1243-F1324 HydrophobicContact CD2-CD1 4.05Å; L1243-F1324 HydrophobicContact CD2-CE1 3.95Å; L1243-F1324 HydrophobicContact CD2-CZ 4.49Å; L1243-F1324 HydrophobicContact CG-CD1 4.05Å; L1243-F1324 HydrophobicContact CG-CE1 4.41Å; L1243-I1326 HydrophobicContact CD1-CB 4.31Å; L1243-I1326 HydrophobicContact CD1-CG1 4.47Å |
| 1244 | F | 94.8 | Very high | 88.1 | Confident | 28 Ų | 28 | 73.4 Ų | 73.4 | 12% | 0.123 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 149 | 173.9 | -54.5 | -97.1 | 0 | 0 | 0 | 109.2 | R1242 W1253 K1254 T1255 M1305 F1324 M1325 Q1327 | R1242-F1244 HydrophobicContact CB-CE2 4.22Å; R1242-F1244 HydrophobicContact CG-CD2 4.48Å; R1242-F1244 HydrophobicContact CG-CE1 4.42Å; R1242-F1244 HydrophobicContact CG-CE2 3.78Å; R1242-F1244 HydrophobicContact CG-CZ 3.77Å; F1244-W1253 HydrophobicContact CB-CE3 3.94Å; F1244-K1254 CarbonylContact C-O 3.51Å; F1244-K1254 WeakPolarHBondContact CA-O 3.44Å; F1244-K1254 WeakPolarHBondContact CB-O 3.38Å; F1244-T1255 HydrophobicContact CE1-CG2 4.5Å; F1244-T1255 VanDerWaalsContact CE1-OG1 3.31Å; F1244-T1255 WeakPolarHBondContact CE1-OG1 3.28Å; F1244-M1305 HydrophobicContact CE2-CE 3.98Å; F1244-F1324 WeakPolarHBondContact O-CA 3.45Å; F1244-M1325 HydrophobicContact CB-CB 4.32Å; F1244-M1325 PolarHBondContact N-O 3.27Å; F1244-M1325 PolarHBondContact O-N 2.76Å; F1244-Q1327 HydrophobicContact CE2-CB 4.22Å |
| 1245 | H | 93.2 | Very high | 88.3 | Confident | 37 Ų | 37 | 72.2 Ų | 72.2 | 17% | 0.171 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 151.8 | 169.7 | 76.8 | 111.3 | 0 | 0 | 0 | 109.5 | K1254 R1256 E1322 L1323 F1324 | H1245-K1254 PolarHBondContact CD2-O 3.21Å; H1245-K1254 PolarHBondContact N-O 3.38Å; H1245-K1254 PolarHBondContact O-N 2.62Å; H1245-R1256 HydrophobicContact CB-CB 4.4Å; H1245-R1256 HydrophobicContact CB-CG 4.47Å; H1245-E1322 WeakPolarHBondContact CB-OE2 3.29Å; H1245-E1322 IonicContact CG-OE2 2.83Å; H1245-L1323 WeakPolarHBondContact CA-O 3.22Å; H1245-F1324 HydrophobicContact CB-CD1 4.23Å; H1245-F1324 HydrophobicContact CB-CE1 4.29Å |
| 1246 | W | 91.4 | Very high | 88.4 | Confident | 88 Ų | 88 | 66.6 Ų | 66.6 | 33% | 0.333 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 119.9 | 169.8 | -170.9 | -103.1 | 0 | 0 | 0 | 109.8 | E1251 W1253 L1323 | W1246-E1251 VanDerWaalsContact CH2-C 3.41Å; W1246-E1251 WeakPolarHBondContact CH2-O 3.15Å; W1246-E1251 VanDerWaalsContact CZ2-C 3.4Å; W1246-E1251 HydrophobicContact CZ2-CB 4.02Å; W1246-E1251 WeakPolarHBondContact CZ2-O 3.42Å; W1246-W1253 HydrophobicContact CB-CE3 4.42Å; W1246-W1253 HydrophobicContact CB-CH2 4.38Å; W1246-W1253 HydrophobicContact CB-CZ3 4.17Å; W1246-W1253 AromaticContact CE3-CD1 3.79Å; W1246-W1253 AromaticContact CE3-CD2 3.72Å; W1246-W1253 HydrophobicContact CE3-CD2 3.72Å; W1246-W1253 AromaticContact CE3-CE2 3.49Å; W1246-W1253 VanDerWaalsContact CE3-CE2 3.49Å; W1246-W1253 HydrophobicContact CE3-CE3 4.35Å; W1246-W1253 AromaticContact CE3-CG 3.91Å; W1246-W1253 HydrophobicContact CE3-CG 3.91Å; W1246-W1253 AromaticContact CE3-CZ2 3.98Å; W1246-W1253 HydrophobicContact CE3-CZ2 3.98Å; W1246-W1253 AromaticContact CE3-NE1 3.53Å; W1246-W1253 AromaticContact CZ3-CD1 3.56Å; W1246-W1253 HydrophobicContact CZ3-CD2 4.29Å; W1246-W1253 AromaticContact CZ3-CE2 3.89Å; W1246-W1253 HydrophobicContact CZ3-CG 4.1Å; W1246-W1253 AromaticContact CZ3-NE1 3.39Å; W1246-L1323 HydrophobicContact CB-CB 3.91Å; W1246-L1323 HydrophobicContact CB-CD2 4Å; W1246-L1323 HydrophobicContact CB-CG 4.35Å; W1246-L1323 HydrophobicContact CG-CD2 4.24Å; W1246-L1323 PolarHBondContact N-O 2.9Å |
| 1247 | D | 86.6 | Confident | 88.5 | Confident | 28 Ų | 28 | 64.1 Ų | 64.1 | 15% | 0.15 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 109 | 172.5 | 173.5 | 17.3 | 0 | 0 | 0 | 110 | S1249 S1250 E1251 S1252 K1254 | D1247-S1249 PolarHBondContact O-N 2.82Å; D1247-S1249 WeakPolarHBondContact OD1-CB 3.37Å; D1247-S1249 PolarHBondContact OD1-N 2.86Å; D1247-S1249 PolarHBondContact OD1-OG 2.93Å; D1247-S1249 PolarHBondContact OD2-OG 2.92Å; D1247-S1250 PolarHBondContact O-N 2.67Å; D1247-S1250 PolarHBondContact OD2-OG 3.43Å; D1247-E1251 PolarHBondContact O-N 2.77Å; D1247-S1252 PolarHBondContact N-O 3.26Å; D1247-K1254 HydrophobicContact CB-CD 3.91Å; D1247-K1254 HydrophobicContact CB-CG 4.36Å; D1247-K1254 VanDerWaalsContact OD2-CE 3.28Å; D1247-K1254 WeakPolarHBondContact OD2-CE 3.39Å; D1247-K1254 IonicContact OD2-NZ 2.63Å; D1247-K1254 PolarHBondContact OD2-NZ 3.16Å |
| 1248 | K | 80 | Confident | 88.4 | Confident | 164 Ų | 164 | 66.8 Ų | 66.8 | 71% | 0.713 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -28.8 | 179.7 | -63.6 | 178.6 | -175.8 | 171.4 | 0 | 112.9 | S1250 | K1248-S1250 VanDerWaalsContact C-N 3.34Š|
| 1249 | S | 74 | Confident | 88.4 | Confident | 106 Ų | 106 | 66 Ų | 66 | 74% | 0.741 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -17.8 | -177.6 | 68.3 | 0 | 0 | 0 | 0 | 114.1 | D1247 | D1247-S1249 PolarHBondContact O-N 2.82Å; D1247-S1249 WeakPolarHBondContact OD1-CB 3.37Å; D1247-S1249 PolarHBondContact OD1-N 2.86Å; D1247-S1249 PolarHBondContact OD1-OG 2.93Å; D1247-S1249 PolarHBondContact OD2-OG 2.92Å |
| 1250 | S | 74.1 | Confident | 88.4 | Confident | 49 Ų | 49 | 65.4 Ų | 65.4 | 34% | 0.343 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | 9.6 | -177.9 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | D1247 K1248 S1252 K1254 | D1247-S1250 PolarHBondContact O-N 2.67Å; D1247-S1250 PolarHBondContact OD2-OG 3.43Å; K1248-S1250 VanDerWaalsContact C-N 3.34Å; S1250-S1252 VanDerWaalsContact O-CB 3.3Å; S1250-S1252 WeakPolarHBondContact O-CB 3.38Å; S1250-S1252 PolarHBondContact O-N 3.34Å; S1250-S1252 PolarHBondContact O-OG 3.1Å; S1250-S1252 PolarHBondContact OG-OG 2.76Å; S1250-K1254 VanDerWaalsContact OG-CE 3.24Å; S1250-K1254 WeakPolarHBondContact OG-CE 3.35Å; S1250-K1254 PolarHBondContact OG-NZ 3.02Å |
| 1251 | E | 79.2 | Confident | 88.5 | Confident | 157 Ų | 157 | 59.3 Ų | 59.3 | 73% | 0.734 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40 | 41.1 | -175.2 | -59.2 | -162.1 | 151.1 | 0 | 0 | 113.6 | W1246 D1247 | W1246-E1251 VanDerWaalsContact CH2-C 3.41Å; W1246-E1251 WeakPolarHBondContact CH2-O 3.15Å; W1246-E1251 VanDerWaalsContact CZ2-C 3.4Å; W1246-E1251 HydrophobicContact CZ2-CB 4.02Å; W1246-E1251 WeakPolarHBondContact CZ2-O 3.42Å; D1247-E1251 PolarHBondContact O-N 2.77Å |
| 1252 | S | 82.5 | Confident | 88.4 | Confident | 43 Ų | 43 | 61.7 Ų | 61.7 | 30% | 0.301 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 154.1 | -169.8 | 73.8 | 0 | 0 | 0 | 0 | 113.3 | D1247 S1250 K1254 | D1247-S1252 PolarHBondContact N-O 3.26Å; S1250-S1252 VanDerWaalsContact O-CB 3.3Å; S1250-S1252 WeakPolarHBondContact O-CB 3.38Å; S1250-S1252 PolarHBondContact O-N 3.34Å; S1250-S1252 PolarHBondContact O-OG 3.1Å; S1250-S1252 PolarHBondContact OG-OG 2.76Å; S1252-K1254 PolarHBondContact O-N 2.97Å |
| 1253 | W | 87.9 | Confident | 88.4 | Confident | 81 Ų | 81 | 56.9 Ų | 56.9 | 31% | 0.307 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 112.1 | 175.4 | -71.9 | 104.4 | 0 | 0 | 0 | 110.7 | F1244 W1246 M1307 L1323 M1325 | F1244-W1253 HydrophobicContact CB-CE3 3.94Å; W1246-W1253 HydrophobicContact CB-CE3 4.42Å; W1246-W1253 HydrophobicContact CB-CH2 4.38Å; W1246-W1253 HydrophobicContact CB-CZ3 4.17Å; W1246-W1253 AromaticContact CE3-CD1 3.79Å; W1246-W1253 AromaticContact CE3-CD2 3.72Å; W1246-W1253 HydrophobicContact CE3-CD2 3.72Å; W1246-W1253 AromaticContact CE3-CE2 3.49Å; W1246-W1253 VanDerWaalsContact CE3-CE2 3.49Å; W1246-W1253 HydrophobicContact CE3-CE3 4.35Å; W1246-W1253 AromaticContact CE3-CG 3.91Å; W1246-W1253 HydrophobicContact CE3-CG 3.91Å; W1246-W1253 AromaticContact CE3-CZ2 3.98Å; W1246-W1253 HydrophobicContact CE3-CZ2 3.98Å; W1246-W1253 AromaticContact CE3-NE1 3.53Å; W1246-W1253 AromaticContact CZ3-CD1 3.56Å; W1246-W1253 HydrophobicContact CZ3-CD2 4.29Å; W1246-W1253 AromaticContact CZ3-CE2 3.89Å; W1246-W1253 HydrophobicContact CZ3-CG 4.1Å; W1246-W1253 AromaticContact CZ3-NE1 3.39Å; W1253-M1307 HydrophobicContact CH2-SD 4.37Å; W1253-M1307 HydrophobicContact CZ2-SD 3.88Å; W1253-L1323 HydrophobicContact CH2-CD2 3.91Å; W1253-L1323 HydrophobicContact CH2-CG 3.88Å; W1253-L1323 HydrophobicContact CZ2-CD2 4.21Å; W1253-L1323 WeakPolarHBondContact CZ3-O 3.19Å; W1253-M1325 HydrophobicContact CD2-CB 4.39Å; W1253-M1325 HydrophobicContact CD2-CE 3.98Å; W1253-M1325 HydrophobicContact CD2-SD 4.5Å; W1253-M1325 VanDerWaalsContact CE2-CE 3.46Å; W1253-M1325 HydrophobicContact CE3-CB 3.84Å; W1253-M1325 HydrophobicContact CG-CE 4.47Å; W1253-M1325 HydrophobicContact CH2-CB 3.7Å; W1253-M1325 HydrophobicContact CH2-CE 4.2Å; W1253-M1325 HydrophobicContact CZ2-CB 4.29Å; W1253-M1325 HydrophobicContact CZ2-CE 3.61Å; W1253-M1325 HydrophobicContact CZ3-CB 3.46Å; W1253-M1325 VanDerWaalsContact CZ3-CB 3.46Å |
| 1254 | K | 87.4 | Confident | 88.2 | Confident | 92 Ų | 92 | 57 Ų | 57 | 40% | 0.4 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 145.6 | 175 | -71.2 | -178.4 | 179.8 | 170.9 | 0 | 110.7 | F1244 H1245 D1247 S1250 S1252 R1256 | F1244-K1254 CarbonylContact C-O 3.51Å; F1244-K1254 WeakPolarHBondContact CA-O 3.44Å; F1244-K1254 WeakPolarHBondContact CB-O 3.38Å; H1245-K1254 PolarHBondContact CD2-O 3.21Å; H1245-K1254 PolarHBondContact N-O 3.38Å; H1245-K1254 PolarHBondContact O-N 2.62Å; D1247-K1254 HydrophobicContact CB-CD 3.91Å; D1247-K1254 HydrophobicContact CB-CG 4.36Å; D1247-K1254 VanDerWaalsContact OD2-CE 3.28Å; D1247-K1254 WeakPolarHBondContact OD2-CE 3.39Å; D1247-K1254 IonicContact OD2-NZ 2.63Å; D1247-K1254 PolarHBondContact OD2-NZ 3.16Å; S1250-K1254 VanDerWaalsContact OG-CE 3.24Å; S1250-K1254 WeakPolarHBondContact OG-CE 3.35Å; S1250-K1254 PolarHBondContact OG-NZ 3.02Å; S1252-K1254 PolarHBondContact O-N 2.97Å; K1254-R1256 PolarHBondContact O-N 2.66Å |
| 1255 | T | 90.2 | Very high | 88 | Confident | 87 Ų | 87 | 57.6 Ų | 57.6 | 53% | 0.534 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 117 | -178.6 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | R1242 F1244 | R1242-T1255 HydrophobicContact CG-CG2 3.95Å; F1244-T1255 HydrophobicContact CE1-CG2 4.5Å; F1244-T1255 VanDerWaalsContact CE1-OG1 3.31Å; F1244-T1255 WeakPolarHBondContact CE1-OG1 3.28Å |
| 1256 | R | 89.7 | Confident | 87.7 | Confident | 39 Ų | 39 | 57.4 Ų | 57.4 | 15% | 0.147 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -36.4 | 179.4 | -160.6 | 65 | 158.5 | 133.4 | -3.1 | 111.8 | L1243 H1245 K1254 C1285 E1315 E1322 F1324 | L1243-R1256 HydrophobicContact CB-CB 4.47Å; L1243-R1256 HydrophobicContact CD2-CB 4.17Å; L1243-R1256 HydrophobicContact CD2-CG 4.24Å; L1243-R1256 HydrophobicContact CG-CB 4.18Å; L1243-R1256 PolarHBondContact O-N 2.87Å; H1245-R1256 HydrophobicContact CB-CB 4.4Å; H1245-R1256 HydrophobicContact CB-CG 4.47Å; K1254-R1256 PolarHBondContact O-N 2.66Å; R1256-C1285 HydrophobicContact CG-CB 4.45Å; R1256-E1315 IonicContact CZ-OE1 3.5Å; R1256-E1315 IonicContact CZ-OE2 2.72Å; R1256-E1315 VanDerWaalsContact CZ-OE2 3.29Å; R1256-E1315 IonicContact NH1-OE1 3.77Å; R1256-E1315 PolarHBondContact NH1-OE1 2.93Å; R1256-E1315 IonicContact NH1-OE2 2.64Å; R1256-E1315 PolarHBondContact NH1-OE2 3.02Å; R1256-E1315 IonicContact NH2-OE1 3.89Å; R1256-E1315 IonicContact NH2-OE2 3.15Å; R1256-E1315 PolarHBondContact NH2-OE2 3.06Å; R1256-E1322 IonicContact CZ-OE1 3.22Å; R1256-E1322 IonicContact CZ-OE2 2.86Å; R1256-E1322 IonicContact NE-OE1 3.35Å; R1256-E1322 IonicContact NE-OE2 3.28Å; R1256-E1322 PolarHBondContact NE-OE2 3.38Å; R1256-E1322 VanDerWaalsContact NE-OE2 3.16Å; R1256-E1322 IonicContact NH2-OE1 3.09Å; R1256-E1322 PolarHBondContact NH2-OE1 3.07Å; R1256-E1322 IonicContact NH2-OE2 3Å; R1256-F1324 HydrophobicContact CG-CE1 4.34Å |
| 1257 | G | 89.2 | Confident | 87.1 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.6 | 163.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | L1243 | L1243-G1257 PolarHBondContact N-O 2.96Å; L1243-G1257 PolarHBondContact O-N 2.78Å; L1243-G1257 VanDerWaalsContact O-N 3.17Å |
| 1258 | L | 91.6 | Very high | 86.7 | Confident | 64 Ų | 64 | 63.4 Ų | 63.4 | 34% | 0.335 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 133.4 | 169.2 | -177.3 | 78.5 | 0 | 0 | 0 | 107.1 | R1242 R1278 D1279 | R1242-L1258 HydrophobicContact CB-CD1 3.79Å; R1242-L1258 HydrophobicContact CG-CD1 4.22Å; L1258-R1278 CarbonylContact O-C 3.57Å; L1258-R1278 VanDerWaalsContact O-CA 3.3Å; L1258-R1278 WeakPolarHBondContact O-CA 3.49Å; L1258-D1279 PolarHBondContact O-N 3.43Å |
| 1259 | G | 93.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.2 | -163.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1241 R1277 D1279 | A1241-G1259 PolarHBondContact N-O 3.16Å; A1241-G1259 PolarHBondContact O-N 3.09Å; A1241-G1259 VanDerWaalsContact O-O 3.11Å; G1259-R1277 WeakPolarHBondContact CA-O 3.31Å; G1259-D1279 WeakPolarHBondContact CA-OD2 3.24Å; G1259-D1279 PolarHBondContact N-OD2 3.32Å |
| 1260 | D | 92.4 | Very high | 87 | Confident | 72 Ų | 72 | 54.7 Ų | 54.7 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 121.7 | -175.6 | -69.7 | -10.7 | 0 | 0 | 0 | 111.8 | ||
| 1261 | A | 93.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 109.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | F1237 C1238 E1239 A1241 M1276 I1326 | F1237-A1261 VanDerWaalsContact CD1-O 3.3Å; F1237-A1261 WeakPolarHBondContact CD1-O 3.11Å; F1237-A1261 WeakPolarHBondContact CE1-O 3.47Å; C1238-A1261 WeakPolarHBondContact CA-O 3.35Å; E1239-A1261 PolarHBondContact N-O 3.48Å; E1239-A1261 PolarHBondContact O-N 3.32Å; A1241-A1261 HydrophobicContact CB-CB 4Å; A1261-M1276 HydrophobicContact CB-CB 4.31Å; A1261-M1276 HydrophobicContact CB-CG 4.06Å; A1261-M1276 HydrophobicContact CB-SD 3.97Å; A1261-I1326 HydrophobicContact CB-CD1 3.8Å |
| 1262 | K | 94.2 | Very high | 88 | Confident | 53 Ų | 53 | 51.4 Ų | 51.4 | 23% | 0.23 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 143.1 | -177 | -55.4 | -178.1 | -172 | 176.3 | 0 | 111.8 | E1230 F1237 C1238 L1264 L1274 V1275 | E1230-K1262 WeakPolarHBondContact OE2-CD 3.26Å; E1230-K1262 IonicContact OE2-NZ 2.68Å; E1230-K1262 PolarHBondContact OE2-NZ 3.38Å; F1237-K1262 CarbonylContact O-C 3.53Å; F1237-K1262 VanDerWaalsContact O-CA 3.28Å; F1237-K1262 WeakPolarHBondContact O-CA 3.39Å; C1238-K1262 HydrophobicContact CB-CG 4Å; K1262-L1264 HydrophobicContact CB-CD2 4.08Å; K1262-L1264 HydrophobicContact CB-CG 4.23Å; K1262-L1264 HydrophobicContact CD-CD2 4.28Å; K1262-L1274 WeakPolarHBondContact O-CA 3.43Å; K1262-V1275 WeakPolarHBondContact CB-O 3.38Å; K1262-V1275 PolarHBondContact N-O 3.17Å; K1262-V1275 PolarHBondContact O-N 3.32Å |
| 1263 | I | 94.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123 | 158.1 | -59 | 175.9 | 0 | 0 | 0 | 107.5 | L1236 F1237 R1273 I1290 F1337 I1340 F1341 | L1236-I1263 HydrophobicContact CB-CG2 4.5Å; L1236-I1263 PolarHBondContact N-O 3.49Å; F1237-I1263 HydrophobicContact CB-CB 3.96Å; F1237-I1263 HydrophobicContact CB-CD1 4.12Å; F1237-I1263 HydrophobicContact CB-CG1 4.07Å; F1237-I1263 HydrophobicContact CD1-CG1 4.48Å; F1237-I1263 PolarHBondContact N-O 2.87Å; F1237-I1263 PolarHBondContact O-N 3.33Å; I1263-R1273 WeakPolarHBondContact CA-O 3.18Å; I1263-I1290 HydrophobicContact CD1-CD1 4.24Å; I1263-I1290 HydrophobicContact CG1-CD1 4.29Å; I1263-I1290 HydrophobicContact CG2-CD1 3.73Å; I1263-F1337 HydrophobicContact CD1-CD2 3.88Å; I1263-F1337 HydrophobicContact CD1-CE2 3.79Å; I1263-F1337 HydrophobicContact CG1-CD2 4.49Å; I1263-F1337 HydrophobicContact CG1-CE2 4.16Å; I1263-I1340 HydrophobicContact CD1-CG2 3.99Å; I1263-I1340 HydrophobicContact CG2-CG2 4.4Å; I1263-F1341 HydrophobicContact CD1-CB 4.36Å; I1263-F1341 HydrophobicContact CD1-CD2 4.3Å |
| 1264 | L | 93 | Very high | 88.8 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 136.8 | -177.3 | -55.5 | 179.1 | 0 | 0 | 0 | 109.4 | E1230 E1233 R1235 K1262 C1272 R1273 V1275 | E1230-L1264 HydrophobicContact CB-CD1 3.67Å; E1230-L1264 HydrophobicContact CG-CD1 3.59Å; E1233-L1264 HydrophobicContact CB-CB 4.03Å; E1233-L1264 WeakPolarHBondContact OE2-CB 3.43Å; R1235-L1264 HydrophobicContact CB-CD2 4Å; K1262-L1264 HydrophobicContact CB-CD2 4.08Å; K1262-L1264 HydrophobicContact CB-CG 4.23Å; K1262-L1264 HydrophobicContact CD-CD2 4.28Å; L1264-C1272 CarbonylContact O-C 3.57Å; L1264-C1272 VanDerWaalsContact O-CA 3.23Å; L1264-C1272 WeakPolarHBondContact O-CA 3.34Å; L1264-R1273 HydrophobicContact CB-CG 4.26Å; L1264-R1273 PolarHBondContact N-O 3.28Å; L1264-R1273 PolarHBondContact O-N 3.47Å; L1264-V1275 HydrophobicContact CD1-CG2 4.23Å |
| 1265 | K | 89.1 | Confident | 89.1 | Confident | 40 Ų | 40 | 43.2 Ų | 43.2 | 17% | 0.174 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.5 | 176.5 | 174.8 | 173.1 | 176.8 | 178.7 | 0 | 109.9 | Q1234 L1236 P1267 E1347 | Q1234-K1265 PolarHBondContact N-O 2.94Å; Q1234-K1265 PolarHBondContact O-N 2.92Å; L1236-K1265 HydrophobicContact CD1-CB 3.72Å; L1236-K1265 HydrophobicContact CD1-CD 4.02Å; L1236-K1265 HydrophobicContact CD2-CB 4.42Å; L1236-K1265 HydrophobicContact CG-CB 3.94Å; K1265-P1267 WeakPolarHBondContact O-CD 3.31Å; K1265-E1347 WeakPolarHBondContact CE-OE2 3.32Å; K1265-E1347 IonicContact NZ-OE1 2.82Å; K1265-E1347 PolarHBondContact NZ-OE1 3.44Å; K1265-E1347 IonicContact NZ-OE2 3.72Å; K1265-E1347 PolarHBondContact NZ-OE2 2.94Å |
| 1266 | N | 87.2 | Confident | 89.3 | Confident | 32 Ų | 32 | 39.1 Ų | 39.1 | 17% | 0.171 | 20% | 0.198 | C | C | . | . | trans | -75.3 | 115 | 175.5 | -174 | -66.4 | 0 | 0 | 0 | 109.6 | E1233 K1268 T1269 G1270 K1271 | E1233-N1266 HydrophobicContact CG-CB 4.27Å; N1266-K1268 PolarHBondContact O-N 3.45Å; N1266-K1268 WeakPolarHBondContact OD1-CB 3.47Å; N1266-K1268 PolarHBondContact OD1-N 3.46Å; N1266-K1268 VanDerWaalsContact OD1-N 3.12Å; N1266-T1269 WeakPolarHBondContact CB-OG1 3.26Å; N1266-T1269 PolarHBondContact O-N 2.99Å; N1266-T1269 PolarHBondContact OD1-N 3.37Å; N1266-T1269 PolarHBondContact OD1-OG1 3.36Å; N1266-G1270 WeakPolarHBondContact O-CA 3.4Å; N1266-G1270 PolarHBondContact O-N 3.37Å; N1266-K1271 PolarHBondContact N-O 3.31Å | ||
| 1267 | P | 80 | Confident | 89.3 | Confident | 85 Ų | 85 | 41.9 Ų | 41.9 | 55% | 0.552 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -20.9 | -173.5 | 28.7 | -35 | 0 | 0 | 0 | 113.1 | D1232 K1265 | D1232-P1267 WeakPolarHBondContact O-CD 3.41Å; K1265-P1267 WeakPolarHBondContact O-CD 3.31Å |
| 1268 | K | 77.7 | Confident | 89.3 | Confident | 157 Ų | 157 | 45.4 Ų | 45.4 | 68% | 0.683 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -33 | 179.5 | -61.1 | 167.3 | -176.1 | 161.2 | 0 | 112.3 | D1232 N1266 | D1232-K1268 IonicContact OD2-NZ 3.67Å; D1232-K1268 PolarHBondContact OD2-NZ 3.42Å; N1266-K1268 PolarHBondContact O-N 3.45Å; N1266-K1268 WeakPolarHBondContact OD1-CB 3.47Å; N1266-K1268 PolarHBondContact OD1-N 3.46Å; N1266-K1268 VanDerWaalsContact OD1-N 3.12Å |
| 1269 | T | 80.4 | Confident | 88.8 | Confident | 70 Ų | 70 | 44.7 Ų | 44.7 | 43% | 0.429 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -11.3 | -174.7 | 65.5 | 0 | 0 | 0 | 0 | 114.6 | N1266 K1271 | N1266-T1269 WeakPolarHBondContact CB-OG1 3.26Å; N1266-T1269 PolarHBondContact O-N 2.99Å; N1266-T1269 PolarHBondContact OD1-N 3.37Å; N1266-T1269 PolarHBondContact OD1-OG1 3.36Å; T1269-K1271 PolarHBondContact O-N 3.45Å; T1269-K1271 PolarHBondContact OG1-N 3.28Å |
| 1270 | G | 79.7 | Confident | 87.9 | Confident | 17 Ų | 17 | 53.5 Ų | 53.5 | 18% | 0.175 | 26% | 0.257 | C | S | . | . | trans | 68.5 | -5.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | N1266 | N1266-G1270 WeakPolarHBondContact O-CA 3.4Å; N1266-G1270 PolarHBondContact O-N 3.37Å | ||
| 1271 | K | 84 | Confident | 87 | Confident | 135 Ų | 135 | 54 Ų | 54 | 59% | 0.587 | 26% | 0.263 | S | S | * | . | trans | -70.3 | 137.6 | 179.9 | -65.5 | -177.1 | 179.2 | -179.1 | 0 | 110.2 | N1266 T1269 | N1266-K1271 PolarHBondContact N-O 3.31Å; T1269-K1271 PolarHBondContact O-N 3.45Å; T1269-K1271 PolarHBondContact OG1-N 3.28Å | ||
| 1272 | C | 90.6 | Very high | 86.2 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 142.1 | 177.2 | -60.3 | 0 | 0 | 0 | 0 | 110 | L1264 I1290 C1344 | L1264-C1272 CarbonylContact O-C 3.57Å; L1264-C1272 VanDerWaalsContact O-CA 3.23Å; L1264-C1272 WeakPolarHBondContact O-CA 3.34Å; C1272-I1290 HydrophobicContact CB-CB 4.44Å; C1272-I1290 HydrophobicContact CB-CD1 4.46Å; C1272-I1290 PolarHBondContact O-N 3.05Å; C1272-C1344 HydrophobicContact CB-CB 3.69Å |
| 1273 | R | 93.2 | Very high | 85.8 | Confident | 37 Ų | 37 | 65.4 Ų | 65.4 | 14% | 0.14 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 153.3 | 174.1 | 62.9 | 170.7 | 174 | 177.9 | -5.9 | 111.8 | E1229 E1233 I1263 L1264 V1275 H1288 | E1229-R1273 VanDerWaalsContact C-NH2 3.33Å; E1229-R1273 PolarHBondContact O-NH2 3.49Å; E1229-R1273 IonicContact OE2-NH1 3.94Å; E1233-R1273 IonicContact OE1-CZ 2.57Å; E1233-R1273 IonicContact OE1-NE 2.74Å; E1233-R1273 IonicContact OE1-NH2 3.11Å; E1233-R1273 IonicContact OE2-CZ 2.95Å; E1233-R1273 IonicContact OE2-NE 2.99Å; E1233-R1273 PolarHBondContact OE2-NE 3.48Å; E1233-R1273 IonicContact OE2-NH2 2.8Å; E1233-R1273 PolarHBondContact OE2-NH2 3.29Å; I1263-R1273 WeakPolarHBondContact CA-O 3.18Å; L1264-R1273 HydrophobicContact CB-CG 4.26Å; L1264-R1273 PolarHBondContact N-O 3.28Å; L1264-R1273 PolarHBondContact O-N 3.47Å; R1273-V1275 HydrophobicContact CG-CG2 4.09Å; R1273-H1288 CarbonylContact C-O 3.6Å; R1273-H1288 VanDerWaalsContact CA-O 3.29Å; R1273-H1288 WeakPolarHBondContact CA-O 3.36Å; R1273-H1288 VanDerWaalsContact CB-O 3.31Å; R1273-H1288 WeakPolarHBondContact CB-O 3.39Å |
| 1274 | L | 93.8 | Very high | 85.5 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 128.7 | 170.1 | -174.7 | 151.6 | 0 | 0 | 0 | 108.5 | K1262 A1286 N1287 H1288 I1290 W1308 F1337 F1341 | K1262-L1274 WeakPolarHBondContact O-CA 3.43Å; L1274-A1286 HydrophobicContact CD2-CB 3.88Å; L1274-N1287 WeakPolarHBondContact O-CA 3.19Å; L1274-H1288 PolarHBondContact N-O 3.35Å; L1274-H1288 PolarHBondContact O-N 3.29Å; L1274-H1288 VanDerWaalsContact O-N 3.1Å; L1274-I1290 HydrophobicContact CB-CG1 4.45Å; L1274-W1308 HydrophobicContact CD1-CH2 4.15Å; L1274-W1308 HydrophobicContact CD1-CZ2 3.84Å; L1274-W1308 HydrophobicContact CD2-CZ2 4.45Å; L1274-F1337 HydrophobicContact CD1-CE2 3.71Å; L1274-F1337 HydrophobicContact CD1-CZ 3.57Å; L1274-F1341 HydrophobicContact CD1-CE2 4.25Å |
| 1275 | V | 93.5 | Very high | 85.5 | Confident | 6 Ų | 6 | 67.2 Ų | 67.2 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 127.3 | 178.3 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | K1262 L1264 R1273 A1286 | K1262-V1275 WeakPolarHBondContact CB-O 3.38Å; K1262-V1275 PolarHBondContact N-O 3.17Å; K1262-V1275 PolarHBondContact O-N 3.32Å; L1264-V1275 HydrophobicContact CD1-CG2 4.23Å; R1273-V1275 HydrophobicContact CG-CG2 4.09Å; V1275-A1286 WeakPolarHBondContact CA-O 3.27Å |
| 1276 | M | 94.2 | Very high | 85.6 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.5 | 174.8 | -173 | 177.6 | 170 | 0 | 0 | 110.3 | A1241 L1243 A1261 V1284 C1285 A1286 | A1241-M1276 HydrophobicContact CB-CE 4.27Å; A1241-M1276 WeakPolarHBondContact O-CE 3.48Å; L1243-M1276 HydrophobicContact CB-CE 3.97Å; L1243-M1276 HydrophobicContact CB-SD 3.62Å; L1243-M1276 HydrophobicContact CD2-SD 4.13Å; L1243-M1276 HydrophobicContact CG-SD 4.38Å; A1261-M1276 HydrophobicContact CB-CB 4.31Å; A1261-M1276 HydrophobicContact CB-CG 4.06Å; A1261-M1276 HydrophobicContact CB-SD 3.97Å; M1276-V1284 CarbonylContact O-C 3.56Å; M1276-V1284 WeakPolarHBondContact O-CA 3.49Å; M1276-C1285 PolarHBondContact O-N 3.24Å; M1276-A1286 HydrophobicContact CB-CB 4.18Å; M1276-A1286 PolarHBondContact N-O 3.26Å; M1276-A1286 PolarHBondContact O-N 2.81Å |
| 1277 | R | 89.4 | Confident | 85.9 | Confident | 97 Ų | 97 | 65.9 Ų | 65.9 | 37% | 0.366 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 147.9 | 177.5 | -66.1 | 175.1 | -176 | -99.9 | 3.8 | 110.1 | E1230 G1259 K1282 K1283 V1284 | E1230-R1277 IonicContact OE1-CZ 2.76Å; E1230-R1277 VanDerWaalsContact OE1-CZ 3.26Å; E1230-R1277 IonicContact OE1-NE 3.3Å; E1230-R1277 PolarHBondContact OE1-NE 3.44Å; E1230-R1277 IonicContact OE1-NH2 3.75Å; E1230-R1277 PolarHBondContact OE1-NH2 3.25Å; G1259-R1277 WeakPolarHBondContact CA-O 3.31Å; R1277-K1282 PolarHBondContact NH1-O 2.87Å; R1277-K1283 WeakPolarHBondContact CA-O 3.04Å; R1277-V1284 HydrophobicContact CG-CG2 4.1Å |
| 1278 | R | 90.8 | Very high | 86.6 | Confident | 81 Ų | 81 | 62 Ų | 62 | 31% | 0.306 | 29% | 0.293 | S | S | . | . | trans | -76.9 | 138 | 176.7 | -75.2 | 179.5 | -81.8 | 178.7 | -16 | 112.2 | L1258 K1282 K1283 C1285 | L1258-R1278 CarbonylContact O-C 3.57Å; L1258-R1278 VanDerWaalsContact O-CA 3.3Å; L1258-R1278 WeakPolarHBondContact O-CA 3.49Å; R1278-K1282 VanDerWaalsContact O-CA 3.23Å; R1278-K1282 WeakPolarHBondContact O-CA 3.48Å; R1278-K1282 PolarHBondContact O-N 3.06Å; R1278-K1283 PolarHBondContact N-O 3.49Å; R1278-C1285 HydrophobicContact CG-CB 4.07Å | ||
| 1279 | D | 79.6 | Confident | 87.1 | Confident | 48 Ų | 48 | 57.6 Ų | 57.6 | 26% | 0.257 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 152.4 | 164 | -67.1 | -58 | 0 | 0 | 0 | 111.1 | R1240 L1258 G1259 V1281 | R1240-D1279 IonicContact CZ-OD1 3.57Å; R1240-D1279 VanDerWaalsContact CZ-OD1 3.3Å; R1240-D1279 IonicContact CZ-OD2 3.69Å; R1240-D1279 IonicContact NE-OD2 3.83Å; R1240-D1279 IonicContact NH1-OD1 2.77Å; R1240-D1279 PolarHBondContact NH1-OD1 2.87Å; R1240-D1279 IonicContact NH1-OD2 3.19Å; R1240-D1279 PolarHBondContact NH1-OD2 2.96Å; R1240-D1279 IonicContact NH2-OD1 2.64Å; R1240-D1279 PolarHBondContact NH2-OD1 3.23Å; R1240-D1279 IonicContact NH2-OD2 2.74Å; R1240-D1279 PolarHBondContact NH2-OD2 3.47Å; L1258-D1279 PolarHBondContact O-N 3.43Å; G1259-D1279 WeakPolarHBondContact CA-OD2 3.24Å; G1259-D1279 PolarHBondContact N-OD2 3.32Å; D1279-V1281 PolarHBondContact O-N 2.93Å |
| 1280 | Q | 73.8 | Confident | 87.6 | Confident | 185 Ų | 185 | 54.3 Ų | 54.3 | 86% | 0.864 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | -61.1 | -172.7 | -49.9 | -58.8 | -12.4 | 0 | 0 | 114.2 | K1282 | Q1280-K1282 PolarHBondContact O-N 2.8Š|
| 1281 | V | 74.5 | Confident | 87.9 | Confident | 84 Ų | 84 | 56.3 Ų | 56.3 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -17.2 | -171.3 | -149.2 | 0 | 0 | 0 | 0 | 113.3 | D1279 K1283 | D1279-V1281 PolarHBondContact O-N 2.93Å; V1281-K1283 HydrophobicContact CB-CG 4.48Å; V1281-K1283 HydrophobicContact CG1-CD 3.9Å; V1281-K1283 HydrophobicContact CG1-CG 3.95Å; V1281-K1283 PolarHBondContact O-N 3.35Å |
| 1282 | K | 76.6 | Confident | 87.6 | Confident | 163 Ų | 163 | 52.1 Ų | 52.1 | 71% | 0.709 | 26% | 0.257 | S | S | * | . | trans | 53.6 | 3.1 | -176.2 | -63.2 | -177.3 | -179.4 | 175.3 | 0 | 116.4 | R1277 R1278 Q1280 | R1277-K1282 PolarHBondContact NH1-O 2.87Å; R1278-K1282 VanDerWaalsContact O-CA 3.23Å; R1278-K1282 WeakPolarHBondContact O-CA 3.48Å; R1278-K1282 PolarHBondContact O-N 3.06Å; Q1280-K1282 PolarHBondContact O-N 2.8Å | ||
| 1283 | K | 86 | Confident | 87.1 | Confident | 128 Ų | 128 | 56.9 Ų | 56.9 | 56% | 0.557 | 29% | 0.29 | S | S | * | . | trans | -64.8 | 137.1 | 174 | -71.8 | -175.1 | -179.8 | -174.6 | 0 | 110.7 | R1277 R1278 V1281 | R1277-K1283 WeakPolarHBondContact CA-O 3.04Å; R1278-K1283 PolarHBondContact N-O 3.49Å; V1281-K1283 HydrophobicContact CB-CG 4.48Å; V1281-K1283 HydrophobicContact CG1-CD 3.9Å; V1281-K1283 HydrophobicContact CG1-CG 3.95Å; V1281-K1283 PolarHBondContact O-N 3.35Å | ||
| 1284 | V | 89.1 | Confident | 86.9 | Confident | 39 Ų | 39 | 55.7 Ų | 55.7 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 142.6 | 171.9 | -174.7 | 0 | 0 | 0 | 0 | 109.4 | M1276 R1277 A1286 N1287 | M1276-V1284 CarbonylContact O-C 3.56Å; M1276-V1284 WeakPolarHBondContact O-CA 3.49Å; R1277-V1284 HydrophobicContact CG-CG2 4.1Å; V1284-A1286 VanDerWaalsContact CG1-O 3.3Å; V1284-A1286 WeakPolarHBondContact CG1-O 3.49Å; V1284-N1287 HydrophobicContact CG1-CB 3.79Å |
| 1285 | C | 91.5 | Very high | 86.4 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.02 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | -0.5 | 176.2 | 63.8 | 0 | 0 | 0 | 0 | 113.8 | L1243 R1256 M1276 R1278 | L1243-C1285 WeakPolarHBondContact CD2-O 3.27Å; R1256-C1285 HydrophobicContact CG-CB 4.45Å; M1276-C1285 PolarHBondContact O-N 3.24Å; R1278-C1285 HydrophobicContact CG-CB 4.07Å |
| 1286 | A | 92.4 | Very high | 86 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 137.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108 | L1243 L1274 V1275 M1276 V1284 D1312 F1324 | L1243-A1286 HydrophobicContact CD2-CB 3.77Å; L1274-A1286 HydrophobicContact CD2-CB 3.88Å; V1275-A1286 WeakPolarHBondContact CA-O 3.27Å; M1276-A1286 HydrophobicContact CB-CB 4.18Å; M1276-A1286 PolarHBondContact N-O 3.26Å; M1276-A1286 PolarHBondContact O-N 2.81Å; V1284-A1286 VanDerWaalsContact CG1-O 3.3Å; V1284-A1286 WeakPolarHBondContact CG1-O 3.49Å; A1286-D1312 WeakPolarHBondContact CA-OD1 3.29Å; A1286-F1324 HydrophobicContact CB-CE2 4.3Å; A1286-F1324 HydrophobicContact CB-CZ 4.26Å |
| 1287 | N | 93.8 | Very high | 85.6 | Confident | 44 Ų | 44 | 67.9 Ų | 67.9 | 24% | 0.235 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 97.9 | 175.3 | 176.9 | 30.8 | 0 | 0 | 0 | 108.9 | L1274 V1284 D1312 Y1313 | L1274-N1287 WeakPolarHBondContact O-CA 3.19Å; V1284-N1287 HydrophobicContact CG1-CB 3.79Å; N1287-D1312 PolarHBondContact N-OD1 3.17Å; N1287-Y1313 WeakPolarHBondContact O-CB 3.06Å; N1287-Y1313 PolarHBondContact O-N 3.27Å |
| 1288 | H | 93.1 | Very high | 85.4 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 1% | 0.014 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 150.4 | 178.6 | 67.1 | 80.8 | 0 | 0 | 0 | 111.9 | R1273 L1274 W1308 V1310 D1312 | R1273-H1288 CarbonylContact C-O 3.6Å; R1273-H1288 VanDerWaalsContact CA-O 3.29Å; R1273-H1288 WeakPolarHBondContact CA-O 3.36Å; R1273-H1288 VanDerWaalsContact CB-O 3.31Å; R1273-H1288 WeakPolarHBondContact CB-O 3.39Å; L1274-H1288 PolarHBondContact N-O 3.35Å; L1274-H1288 PolarHBondContact O-N 3.29Å; L1274-H1288 VanDerWaalsContact O-N 3.1Å; H1288-W1308 AromaticContact CE1-NE1 3.42Å; H1288-W1308 PolarHBondContact CE1-NE1 3.05Å; H1288-W1308 AromaticContact NE2-CE2 3.75Å; H1288-W1308 AromaticContact NE2-CZ2 3.85Å; H1288-W1308 AromaticContact NE2-NE1 3.07Å; H1288-W1308 PolarHBondContact NE2-NE1 3.02Å; H1288-V1310 HydrophobicContact CB-CG1 4.47Å; H1288-V1310 HydrophobicContact CB-CG2 3.78Å; H1288-D1312 IonicContact CD2-OD1 3.67Å |
| 1289 | S | 89.9 | Confident | 84.9 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 147.6 | 169.5 | -67.7 | 0 | 0 | 0 | 0 | 110.6 | T1291 I1294 | S1289-T1291 PolarHBondContact O-N 3.09Å; S1289-I1294 WeakPolarHBondContact O-CD1 3.4Å |
| 1290 | I | 89.4 | Confident | 84.8 | Confident | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | trans | -88.3 | 100.7 | 169.1 | -60.4 | 176.4 | 0 | 0 | 0 | 107 | I1263 C1272 L1274 F1341 C1344 | I1263-I1290 HydrophobicContact CD1-CD1 4.24Å; I1263-I1290 HydrophobicContact CG1-CD1 4.29Å; I1263-I1290 HydrophobicContact CG2-CD1 3.73Å; C1272-I1290 HydrophobicContact CB-CB 4.44Å; C1272-I1290 HydrophobicContact CB-CD1 4.46Å; C1272-I1290 PolarHBondContact O-N 3.05Å; L1274-I1290 HydrophobicContact CB-CG1 4.45Å; I1290-F1341 HydrophobicContact CD1-CD2 3.83Å; I1290-F1341 HydrophobicContact CD1-CE2 3.91Å; I1290-F1341 HydrophobicContact CD1-CG 4.41Å; I1290-F1341 HydrophobicContact CG1-CD2 4.35Å; I1290-F1341 HydrophobicContact CG1-CE2 3.92Å; I1290-F1341 HydrophobicContact CG1-CZ 4.21Å; I1290-F1341 HydrophobicContact CG2-CD1 4.17Å; I1290-F1341 HydrophobicContact CG2-CE1 3.85Å; I1290-F1341 HydrophobicContact CG2-CE2 4.33Å; I1290-F1341 HydrophobicContact CG2-CZ 3.93Å; I1290-C1344 HydrophobicContact CB-CB 4.44Å; I1290-C1344 HydrophobicContact CD1-CB 4.15Å; I1290-C1344 HydrophobicContact CG2-CB 4.04Å | ||
| 1291 | T | 85.8 | Confident | 84.8 | Confident | 58 Ų | 58 | 69.7 Ų | 69.7 | 36% | 0.356 | 37% | 0.372 | S | S | . | . | trans | -98.3 | 153.6 | 177.5 | 54.4 | 0 | 0 | 0 | 0 | 111.7 | S1289 S1293 I1294 | S1289-T1291 PolarHBondContact O-N 3.09Å; T1291-S1293 PolarHBondContact O-N 3.45Å; T1291-S1293 PolarHBondContact OG1-OG 3.05Å; T1291-I1294 PolarHBondContact O-N 3.29Å; T1291-I1294 WeakPolarHBondContact OG1-CG1 3.3Å | ||
| 1292 | P | 79.4 | Confident | 85.2 | Confident | 47 Ų | 47 | 68 Ų | 68 | 31% | 0.305 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -20.1 | 174.8 | -32.1 | 38.6 | 0 | 0 | 0 | 116.3 | N1349 | P1292-N1349 VanDerWaalsContact CB-OD1 3.25Å; P1292-N1349 WeakPolarHBondContact CB-OD1 3.39Å; P1292-N1349 WeakPolarHBondContact CG-OD1 3.35Å |
| 1293 | S | 78.5 | Confident | 85.5 | Confident | 102 Ų | 102 | 66.2 Ų | 66.2 | 71% | 0.713 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -17.3 | 177.5 | 49.8 | 0 | 0 | 0 | 0 | 114.6 | T1291 K1295 | T1291-S1293 PolarHBondContact O-N 3.45Å; T1291-S1293 PolarHBondContact OG1-OG 3.05Å; S1293-K1295 PolarHBondContact O-N 3.02Å |
| 1294 | I | 88.9 | Confident | 85.7 | Confident | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.062 | 34% | 0.336 | C | S | . | . | trans | -81.4 | 108.7 | -175.3 | -57.5 | 169.7 | 0 | 0 | 0 | 109.6 | S1289 T1291 W1308 V1310 F1341 | S1289-I1294 WeakPolarHBondContact O-CD1 3.4Å; T1291-I1294 PolarHBondContact O-N 3.29Å; T1291-I1294 WeakPolarHBondContact OG1-CG1 3.3Å; I1294-W1308 HydrophobicContact CG2-CB 3.75Å; I1294-W1308 HydrophobicContact CG2-CG 3.92Å; I1294-V1310 HydrophobicContact CD1-CB 4.25Å; I1294-V1310 HydrophobicContact CD1-CG2 3.57Å; I1294-V1310 HydrophobicContact CG1-CG2 4.24Å; I1294-F1341 HydrophobicContact CB-CE1 4.3Å; I1294-F1341 HydrophobicContact CB-CZ 4.28Å; I1294-F1341 HydrophobicContact CG2-CE1 4.01Å; I1294-F1341 HydrophobicContact CG2-CZ 3.75Å | ||
| 1295 | K | 83.6 | Confident | 85.9 | Confident | 172 Ų | 172 | 61.2 Ų | 61.2 | 75% | 0.748 | 33% | 0.33 | S | S | * | . | trans | -91.1 | 107.4 | 175.9 | -171.7 | 177.6 | -178.2 | 179.9 | 0 | 110.5 | S1293 T1297 | S1293-K1295 PolarHBondContact O-N 3.02Å; K1295-T1297 HydrophobicContact CG-CG2 4.45Å | ||
| 1296 | L | 86.3 | Confident | 85.9 | Confident | 36 Ų | 36 | 61.1 Ų | 61.1 | 19% | 0.188 | 33% | 0.329 | C | S | . | . | trans | -74.5 | 127 | 172.4 | -171.9 | 150.4 | 0 | 0 | 0 | 110 | L1298 A1306 F1337 F1341 | L1296-L1298 HydrophobicContact CD2-CD2 4.19Å; L1296-L1298 HydrophobicContact CD2-CG 4.3Å; L1296-A1306 HydrophobicContact CD1-CB 4.39Å; L1296-A1306 HydrophobicContact CD2-CB 3.79Å; L1296-A1306 HydrophobicContact CG-CB 4.07Å; L1296-F1337 HydrophobicContact CD1-CD1 4.15Å; L1296-F1337 HydrophobicContact CD1-CE1 3.71Å; L1296-F1341 HydrophobicContact CB-CD1 4.41Å; L1296-F1341 HydrophobicContact CB-CE1 4.47Å; L1296-F1341 HydrophobicContact CD1-CB 4.26Å; L1296-F1341 HydrophobicContact CD1-CD1 4.14Å; L1296-F1341 HydrophobicContact CD1-CD2 4.26Å; L1296-F1341 HydrophobicContact CD1-CG 3.97Å | ||
| 1297 | T | 86.2 | Confident | 85.9 | Confident | 56 Ų | 56 | 63.6 Ų | 63.6 | 34% | 0.344 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 120 | -179.9 | 53.1 | 0 | 0 | 0 | 0 | 110.3 | K1295 A1306 M1307 | K1295-T1297 HydrophobicContact CG-CG2 4.45Å; T1297-A1306 CarbonylContact O-C 3.55Å; T1297-A1306 WeakPolarHBondContact O-CA 3.44Å; T1297-M1307 PolarHBondContact N-O 2.86Å; T1297-M1307 PolarHBondContact O-N 2.95Å; T1297-M1307 PolarHBondContact OG1-O 3Å |
| 1298 | L | 84.9 | Confident | 85.9 | Confident | 96 Ų | 96 | 61.6 Ų | 61.6 | 50% | 0.503 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 137.2 | 177.1 | -66.7 | 166.4 | 0 | 0 | 0 | 110 | L1296 A1306 L1334 | L1296-L1298 HydrophobicContact CD2-CD2 4.19Å; L1296-L1298 HydrophobicContact CD2-CG 4.3Å; L1298-A1306 HydrophobicContact CD2-CB 4.17Å; L1298-L1334 HydrophobicContact CD2-CD2 3.51Å; L1298-L1334 HydrophobicContact CD2-CG 4.08Å |
| 1299 | S | 79.4 | Confident | 85.7 | Confident | 24 Ų | 24 | 64.4 Ų | 64.4 | 17% | 0.168 | 36% | 0.355 | C | S | . | . | trans | -71.1 | 133.8 | 178.6 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | K1301 D1302 M1305 | S1299-K1301 VanDerWaalsContact C-N 3.3Å; S1299-K1301 PolarHBondContact OG-N 3.26Å; S1299-D1302 WeakPolarHBondContact CB-O 3.42Å; S1299-M1305 WeakPolarHBondContact CB-O 3.25Å; S1299-M1305 PolarHBondContact N-O 3.23Å | ||
| 1300 | T | 77.2 | Confident | 85.8 | Confident | 143 Ų | 143 | 62.2 Ų | 62.2 | 88% | 0.877 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -74.9 | -19.3 | 173.3 | 49.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1301 | K | 75 | Confident | 85.8 | Confident | 187 Ų | 187 | 66.4 Ų | 66.4 | 81% | 0.813 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -86.5 | -42.6 | -177.9 | -66.8 | -175.2 | 179 | 179.9 | 0 | 112.7 | S1299 | S1299-K1301 VanDerWaalsContact C-N 3.3Å; S1299-K1301 PolarHBondContact OG-N 3.26Å |
| 1302 | D | 81.6 | Confident | 86.1 | Confident | 48 Ų | 48 | 63.7 Ų | 63.7 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | trans | -134.1 | 116.9 | -180 | -177.4 | 2.5 | 0 | 0 | 0 | 110 | S1299 K1304 M1305 Q1327 | S1299-D1302 WeakPolarHBondContact CB-O 3.42Å; D1302-K1304 PolarHBondContact O-N 2.88Å; D1302-K1304 VanDerWaalsContact O-N 3.07Å; D1302-K1304 WeakPolarHBondContact OD1-CB 3.09Å; D1302-K1304 WeakPolarHBondContact OD1-CG 3.14Å; D1302-K1304 PolarHBondContact OD1-N 3.12Å; D1302-M1305 HydrophobicContact CB-CB 4.39Å; D1302-M1305 HydrophobicContact CB-CG 3.84Å; D1302-M1305 WeakPolarHBondContact O-CB 2.8Å; D1302-M1305 PolarHBondContact O-N 3.33Å; D1302-Q1327 PolarHBondContact OD2-NE2 3.04Å | ||
| 1303 | Q | 84.2 | Confident | 86.6 | Confident | 125 Ų | 125 | 66.6 Ų | 66.6 | 58% | 0.584 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -1.1 | 178.7 | -67 | -177.1 | -12.7 | 0 | 0 | 113.5 | P1331 L1334 | Q1303-P1331 HydrophobicContact CB-CB 4.16Å; Q1303-P1331 WeakPolarHBondContact O-CB 3.49Å; Q1303-L1334 WeakPolarHBondContact O-CD2 3.23Å |
| 1304 | K | 90.4 | Very high | 87 | Confident | 41 Ų | 41 | 63 Ų | 63 | 18% | 0.178 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -1.7 | 170.7 | -56.1 | -178.8 | -176.7 | -163.3 | 0 | 113.5 | D1302 Q1327 F1328 K1329 | D1302-K1304 PolarHBondContact O-N 2.88Å; D1302-K1304 VanDerWaalsContact O-N 3.07Å; D1302-K1304 WeakPolarHBondContact OD1-CB 3.09Å; D1302-K1304 WeakPolarHBondContact OD1-CG 3.14Å; D1302-K1304 PolarHBondContact OD1-N 3.12Å; K1304-Q1327 HydrophobicContact CB-CG 4.47Å; K1304-Q1327 WeakPolarHBondContact O-CA 3.37Å; K1304-F1328 PolarHBondContact O-N 3.45Å; K1304-F1328 VanDerWaalsContact O-N 3.12Å; K1304-K1329 WeakPolarHBondContact CE-O 3.49Å; K1304-K1329 PolarHBondContact NZ-O 2.69Å |
| 1305 | M | 92.8 | Very high | 86.4 | Confident | 22 Ų | 22 | 68 Ų | 68 | 11% | 0.108 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133 | -175.3 | -65 | -75.5 | -157.4 | 0 | 0 | 113.3 | F1244 S1299 D1302 M1325 I1326 Q1327 | F1244-M1305 HydrophobicContact CE2-CE 3.98Å; S1299-M1305 WeakPolarHBondContact CB-O 3.25Å; S1299-M1305 PolarHBondContact N-O 3.23Å; D1302-M1305 HydrophobicContact CB-CB 4.39Å; D1302-M1305 HydrophobicContact CB-CG 3.84Å; D1302-M1305 WeakPolarHBondContact O-CB 2.8Å; D1302-M1305 PolarHBondContact O-N 3.33Å; M1305-M1325 HydrophobicContact CB-CG 4.43Å; M1305-M1325 HydrophobicContact CB-SD 4.5Å; M1305-M1325 HydrophobicContact CE-SD 4.07Å; M1305-M1325 HydrophobicContact CG-SD 4.34Å; M1305-M1325 HydrophobicContact SD-CG 3.83Å; M1305-M1325 HydrophobicContact SD-SD 3.74Å; M1305-I1326 VanDerWaalsContact CA-O 3.27Å; M1305-I1326 WeakPolarHBondContact CA-O 3.26Å; M1305-Q1327 HydrophobicContact CE-CB 3.75Å; M1305-Q1327 HydrophobicContact CE-CG 3.63Å; M1305-Q1327 HydrophobicContact CG-CG 4.38Å; M1305-Q1327 HydrophobicContact SD-CB 3.37Å; M1305-Q1327 WeakPolarHBondContact SD-CB 3.48Å; M1305-Q1327 HydrophobicContact SD-CG 3.58Å; M1305-Q1327 VanDerWaalsContact SD-CG 3.58Å |
| 1306 | A | 90.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 154 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1296 T1297 L1298 M1325 I1326 L1334 | L1296-A1306 HydrophobicContact CD1-CB 4.39Å; L1296-A1306 HydrophobicContact CD2-CB 3.79Å; L1296-A1306 HydrophobicContact CG-CB 4.07Å; T1297-A1306 CarbonylContact O-C 3.55Å; T1297-A1306 WeakPolarHBondContact O-CA 3.44Å; L1298-A1306 HydrophobicContact CD2-CB 4.17Å; A1306-M1325 CarbonylContact O-C 3.48Å; A1306-M1325 VanDerWaalsContact O-CA 3.26Å; A1306-M1325 WeakPolarHBondContact O-CA 3.32Å; A1306-I1326 HydrophobicContact CB-CG2 4.36Å; A1306-I1326 PolarHBondContact N-O 2.88Å; A1306-I1326 PolarHBondContact O-N 2.9Å; A1306-L1334 HydrophobicContact CB-CD1 3.73Å; A1306-L1334 HydrophobicContact CB-CD2 4.42Å; A1306-L1334 HydrophobicContact CB-CG 4.48Å |
| 1307 | M | 91.9 | Very high | 85.4 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 26% | 0.256 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 144.7 | -179.4 | -44.8 | 177.1 | -59 | 0 | 0 | 111.2 | W1253 T1297 F1324 M1325 | W1253-M1307 HydrophobicContact CH2-SD 4.37Å; W1253-M1307 HydrophobicContact CZ2-SD 3.88Å; T1297-M1307 PolarHBondContact N-O 2.86Å; T1297-M1307 PolarHBondContact O-N 2.95Å; T1297-M1307 PolarHBondContact OG1-O 3Å; M1307-F1324 CarbonylContact C-O 3.6Å; M1307-F1324 WeakPolarHBondContact CA-O 3.31Å; M1307-F1324 WeakPolarHBondContact CB-O 3.49Å; M1307-M1325 HydrophobicContact CG-CB 4.01Å; M1307-M1325 HydrophobicContact CG-CE 3.76Å; M1307-M1325 HydrophobicContact CG-CG 3.96Å; M1307-M1325 HydrophobicContact SD-CE 3.44Å; M1307-M1325 WeakPolarHBondContact SD-CE 3.18Å |
| 1308 | W | 93.8 | Very high | 84.6 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.008 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 153.3 | 171 | 66.7 | 96.5 | 0 | 0 | 0 | 111.1 | L1243 L1274 H1288 I1294 F1324 I1326 F1337 | L1243-W1308 HydrophobicContact CD1-CH2 4.38Å; L1274-W1308 HydrophobicContact CD1-CH2 4.15Å; L1274-W1308 HydrophobicContact CD1-CZ2 3.84Å; L1274-W1308 HydrophobicContact CD2-CZ2 4.45Å; H1288-W1308 AromaticContact CE1-NE1 3.42Å; H1288-W1308 PolarHBondContact CE1-NE1 3.05Å; H1288-W1308 AromaticContact NE2-CE2 3.75Å; H1288-W1308 AromaticContact NE2-CZ2 3.85Å; H1288-W1308 AromaticContact NE2-NE1 3.07Å; H1288-W1308 PolarHBondContact NE2-NE1 3.02Å; I1294-W1308 HydrophobicContact CG2-CB 3.75Å; I1294-W1308 HydrophobicContact CG2-CG 3.92Å; W1308-F1324 HydrophobicContact CD2-CB 4.3Å; W1308-F1324 HydrophobicContact CH2-CB 4.39Å; W1308-F1324 HydrophobicContact CZ2-CB 4.04Å; W1308-F1324 HydrophobicContact CZ2-CD2 4.16Å; W1308-F1324 HydrophobicContact CZ2-CG 4.45Å; W1308-F1324 PolarHBondContact N-O 3.08Å; W1308-F1324 AromaticContact NE1-CD2 3.87Å; W1308-F1324 PolarHBondContact O-N 2.73Å; W1308-I1326 HydrophobicContact CH2-CB 3.94Å; W1308-I1326 HydrophobicContact CH2-CD1 4.29Å; W1308-I1326 HydrophobicContact CH2-CG2 4.03Å; W1308-I1326 HydrophobicContact CZ3-CB 3.88Å; W1308-I1326 HydrophobicContact CZ3-CG2 3.59Å; W1308-F1337 HydrophobicContact CH2-CE1 4.47Å; W1308-F1337 HydrophobicContact CH2-CZ 4.11Å; W1308-F1337 HydrophobicContact CZ3-CE1 4.15Å; W1308-F1337 HydrophobicContact CZ3-CZ 4.24Å |
| 1309 | A | 89.4 | Confident | 84.3 | Confident | 63 Ų | 63 | 67.1 Ų | 67.1 | 52% | 0.521 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 137.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | L1323 | A1309-L1323 HydrophobicContact CB-CD1 3.85Å |
| 1310 | V | 92.2 | Very high | 84.5 | Confident | 18 Ų | 18 | 69.4 Ų | 69.4 | 11% | 0.109 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 156.5 | -179.8 | 67.6 | 0 | 0 | 0 | 0 | 111.9 | H1288 I1294 E1322 F1324 | H1288-V1310 HydrophobicContact CB-CG1 4.47Å; H1288-V1310 HydrophobicContact CB-CG2 3.78Å; I1294-V1310 HydrophobicContact CD1-CB 4.25Å; I1294-V1310 HydrophobicContact CD1-CG2 3.57Å; I1294-V1310 HydrophobicContact CG1-CG2 4.24Å; V1310-E1322 PolarHBondContact N-O 3Å; V1310-E1322 PolarHBondContact O-N 3.18Å; V1310-E1322 VanDerWaalsContact O-O 3.07Å; V1310-F1324 HydrophobicContact CG1-CD2 3.68Å; V1310-F1324 HydrophobicContact CG1-CE2 3.73Å |
| 1311 | K | 89.6 | Confident | 84.9 | Confident | 90 Ų | 90 | 67.8 Ų | 67.8 | 39% | 0.391 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 108.7 | 166.1 | -164.5 | 165.6 | -172.4 | -177 | 0 | 109.7 | Y1313 E1318 G1319 I1320 D1321 | K1311-Y1313 HydrophobicContact CG-CE2 4.48Å; K1311-Y1313 WeakPolarHBondContact O-CE2 3.26Å; K1311-E1318 WeakPolarHBondContact CE-O 3.41Å; K1311-E1318 PolarHBondContact NZ-O 3.44Å; K1311-G1319 WeakPolarHBondContact CE-O 3.4Å; K1311-I1320 CarbonylContact C-O 3.53Å; K1311-I1320 WeakPolarHBondContact CA-O 3.21Å; K1311-D1321 WeakPolarHBondContact CB-OD1 3.15Å; K1311-D1321 WeakPolarHBondContact CG-OD1 3.1Å |
| 1312 | D | 91.5 | Very high | 85.6 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.011 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 141.1 | -173.8 | -172.3 | 75.6 | 0 | 0 | 0 | 112.8 | A1286 N1287 H1288 S1314 G1319 I1320 F1324 | A1286-D1312 WeakPolarHBondContact CA-OD1 3.29Å; N1287-D1312 PolarHBondContact N-OD1 3.17Å; H1288-D1312 IonicContact CD2-OD1 3.67Å; D1312-S1314 WeakPolarHBondContact OD2-CB 3.33Å; D1312-S1314 PolarHBondContact OD2-N 3.48Å; D1312-S1314 PolarHBondContact OD2-OG 2.93Å; D1312-G1319 CarbonylContact O-C 3.55Å; D1312-G1319 WeakPolarHBondContact O-CA 3.12Å; D1312-I1320 PolarHBondContact N-O 3.44Å; D1312-I1320 PolarHBondContact O-N 3.36Å; D1312-F1324 HydrophobicContact CB-CE2 3.83Å; D1312-F1324 HydrophobicContact CB-CZ 3.86Å |
| 1313 | Y | 90.7 | Very high | 86 | Confident | 107 Ų | 107 | 60.7 Ų | 60.7 | 42% | 0.42 | 32% | 0.317 | S | S | . | . | trans | -114.9 | 28.3 | -175.5 | -60.6 | -95.2 | 0 | 0 | 0 | 112.7 | N1287 K1311 | N1287-Y1313 WeakPolarHBondContact O-CB 3.06Å; N1287-Y1313 PolarHBondContact O-N 3.27Å; K1311-Y1313 HydrophobicContact CG-CE2 4.48Å; K1311-Y1313 WeakPolarHBondContact O-CE2 3.26Å | ||
| 1314 | S | 85.9 | Confident | 86.5 | Confident | 26 Ų | 26 | 54.7 Ų | 54.7 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -82.7 | -28.7 | 179.1 | 66.3 | 0 | 0 | 0 | 0 | 114.5 | D1312 | D1312-S1314 WeakPolarHBondContact OD2-CB 3.33Å; D1312-S1314 PolarHBondContact OD2-N 3.48Å; D1312-S1314 PolarHBondContact OD2-OG 2.93Å |
| 1315 | E | 77.5 | Confident | 86.7 | Confident | 119 Ų | 119 | 53.8 Ų | 53.8 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -116.8 | -18.7 | 179.2 | -71.5 | -170.2 | 160.7 | 0 | 0 | 114.9 | R1256 I1320 | R1256-E1315 IonicContact CZ-OE1 3.5Å; R1256-E1315 IonicContact CZ-OE2 2.72Å; R1256-E1315 VanDerWaalsContact CZ-OE2 3.29Å; R1256-E1315 IonicContact NH1-OE1 3.77Å; R1256-E1315 PolarHBondContact NH1-OE1 2.93Å; R1256-E1315 IonicContact NH1-OE2 2.64Å; R1256-E1315 PolarHBondContact NH1-OE2 3.02Å; R1256-E1315 IonicContact NH2-OE1 3.89Å; R1256-E1315 IonicContact NH2-OE2 3.15Å; R1256-E1315 PolarHBondContact NH2-OE2 3.06Å; E1315-I1320 HydrophobicContact CB-CD1 4.5Å |
| 1316 | S | 73.3 | Confident | 86.8 | Confident | 36 Ų | 36 | 52.8 Ų | 52.8 | 25% | 0.252 | 28% | 0.281 | S | S | . | . | trans | -136.4 | 138 | 177.5 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | E1318 G1319 | S1316-E1318 VanDerWaalsContact C-N 3.26Å; S1316-E1318 PolarHBondContact O-N 3.17Å; S1316-E1318 PolarHBondContact OG-N 2.95Å; S1316-G1319 PolarHBondContact O-N 3.38Å | ||
| 1317 | T | 74.1 | Confident | 86.9 | Confident | 137 Ų | 137 | 55.2 Ų | 55.2 | 84% | 0.84 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -24.4 | 173 | 45.3 | 0 | 0 | 0 | 0 | 112.9 | G1319 | T1317-G1319 VanDerWaalsContact C-N 3.29Š|
| 1318 | E | 70.4 | Confident | 87.1 | Confident | 156 Ų | 156 | 53 Ų | 53 | 73% | 0.729 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -17.6 | 175.8 | -59.6 | -178.7 | 171 | 0 | 0 | 112.6 | K1311 S1316 | K1311-E1318 WeakPolarHBondContact CE-O 3.41Å; K1311-E1318 PolarHBondContact NZ-O 3.44Å; S1316-E1318 VanDerWaalsContact C-N 3.26Å; S1316-E1318 PolarHBondContact O-N 3.17Å; S1316-E1318 PolarHBondContact OG-N 2.95Å |
| 1319 | G | 78.5 | Confident | 87 | Confident | 12 Ų | 12 | 60.5 Ų | 60.5 | 12% | 0.124 | 31% | 0.314 | C | S | . | . | trans | 77.5 | 140.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K1311 D1312 S1316 T1317 | K1311-G1319 WeakPolarHBondContact CE-O 3.4Å; D1312-G1319 CarbonylContact O-C 3.55Å; D1312-G1319 WeakPolarHBondContact O-CA 3.12Å; S1316-G1319 PolarHBondContact O-N 3.38Å; T1317-G1319 VanDerWaalsContact C-N 3.29Å | ||
| 1320 | I | 83.2 | Confident | 86.9 | Confident | 72 Ų | 72 | 58.9 Ų | 58.9 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 133 | -179.3 | -57.9 | 171 | 0 | 0 | 0 | 109 | K1311 D1312 E1315 E1322 | K1311-I1320 CarbonylContact C-O 3.53Å; K1311-I1320 WeakPolarHBondContact CA-O 3.21Å; D1312-I1320 PolarHBondContact N-O 3.44Å; D1312-I1320 PolarHBondContact O-N 3.36Å; E1315-I1320 HydrophobicContact CB-CD1 4.5Å; I1320-E1322 HydrophobicContact CG2-CG 4.05Å; I1320-E1322 PolarHBondContact O-N 3.23Å; I1320-E1322 VanDerWaalsContact O-N 3.11Å |
| 1321 | D | 86.7 | Confident | 86.8 | Confident | 109 Ų | 109 | 60 Ų | 60 | 58% | 0.583 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 99.2 | 175.6 | -64.8 | -34.7 | 0 | 0 | 0 | 110.5 | K1311 | K1311-D1321 WeakPolarHBondContact CB-OD1 3.15Å; K1311-D1321 WeakPolarHBondContact CG-OD1 3.1Å |
| 1322 | E | 88.8 | Confident | 86.8 | Confident | 18 Ų | 18 | 62.9 Ų | 62.9 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 147.4 | 179.3 | -71.3 | -167.6 | -150 | 0 | 0 | 112.1 | H1245 R1256 V1310 I1320 F1324 | H1245-E1322 WeakPolarHBondContact CB-OE2 3.29Å; H1245-E1322 IonicContact CG-OE2 2.83Å; R1256-E1322 IonicContact CZ-OE1 3.22Å; R1256-E1322 IonicContact CZ-OE2 2.86Å; R1256-E1322 IonicContact NE-OE1 3.35Å; R1256-E1322 IonicContact NE-OE2 3.28Å; R1256-E1322 PolarHBondContact NE-OE2 3.38Å; R1256-E1322 VanDerWaalsContact NE-OE2 3.16Å; R1256-E1322 IonicContact NH2-OE1 3.09Å; R1256-E1322 PolarHBondContact NH2-OE1 3.07Å; R1256-E1322 IonicContact NH2-OE2 3Å; V1310-E1322 PolarHBondContact N-O 3Å; V1310-E1322 PolarHBondContact O-N 3.18Å; V1310-E1322 VanDerWaalsContact O-O 3.07Å; I1320-E1322 HydrophobicContact CG2-CG 4.05Å; I1320-E1322 PolarHBondContact O-N 3.23Å; I1320-E1322 VanDerWaalsContact O-N 3.11Å; E1322-F1324 HydrophobicContact CB-CE1 4.15Å; E1322-F1324 HydrophobicContact CB-CE2 4.38Å; E1322-F1324 HydrophobicContact CB-CZ 4.05Å; E1322-F1324 WeakPolarHBondContact OE2-CE1 3.45Å |
| 1323 | L | 91.1 | Very high | 86.9 | Confident | 67 Ų | 67 | 64.3 Ų | 64.3 | 35% | 0.351 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 112.2 | 166.8 | -179 | 73.4 | 0 | 0 | 0 | 107.5 | H1245 W1246 W1253 A1309 | H1245-L1323 WeakPolarHBondContact CA-O 3.22Å; W1246-L1323 HydrophobicContact CB-CB 3.91Å; W1246-L1323 HydrophobicContact CB-CD2 4Å; W1246-L1323 HydrophobicContact CB-CG 4.35Å; W1246-L1323 HydrophobicContact CG-CD2 4.24Å; W1246-L1323 PolarHBondContact N-O 2.9Å; W1253-L1323 HydrophobicContact CH2-CD2 3.91Å; W1253-L1323 HydrophobicContact CH2-CG 3.88Å; W1253-L1323 HydrophobicContact CZ2-CD2 4.21Å; W1253-L1323 WeakPolarHBondContact CZ3-O 3.19Å; A1309-L1323 HydrophobicContact CB-CD1 3.85Å |
| 1324 | F | 94.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 151 | -178.5 | -73.6 | -48.9 | 0 | 0 | 0 | 112.5 | L1243 F1244 H1245 R1256 A1286 M1307 W1308 V1310 D1312 E1322 | L1243-F1324 HydrophobicContact CD1-CB 4.06Å; L1243-F1324 HydrophobicContact CD1-CD1 3.94Å; L1243-F1324 HydrophobicContact CD1-CG 4.07Å; L1243-F1324 HydrophobicContact CD2-CD1 4.05Å; L1243-F1324 HydrophobicContact CD2-CE1 3.95Å; L1243-F1324 HydrophobicContact CD2-CZ 4.49Å; L1243-F1324 HydrophobicContact CG-CD1 4.05Å; L1243-F1324 HydrophobicContact CG-CE1 4.41Å; F1244-F1324 WeakPolarHBondContact O-CA 3.45Å; H1245-F1324 HydrophobicContact CB-CD1 4.23Å; H1245-F1324 HydrophobicContact CB-CE1 4.29Å; R1256-F1324 HydrophobicContact CG-CE1 4.34Å; A1286-F1324 HydrophobicContact CB-CE2 4.3Å; A1286-F1324 HydrophobicContact CB-CZ 4.26Å; M1307-F1324 CarbonylContact C-O 3.6Å; M1307-F1324 WeakPolarHBondContact CA-O 3.31Å; M1307-F1324 WeakPolarHBondContact CB-O 3.49Å; W1308-F1324 HydrophobicContact CD2-CB 4.3Å; W1308-F1324 HydrophobicContact CH2-CB 4.39Å; W1308-F1324 HydrophobicContact CZ2-CB 4.04Å; W1308-F1324 HydrophobicContact CZ2-CD2 4.16Å; W1308-F1324 HydrophobicContact CZ2-CG 4.45Å; W1308-F1324 PolarHBondContact N-O 3.08Å; W1308-F1324 AromaticContact NE1-CD2 3.87Å; W1308-F1324 PolarHBondContact O-N 2.73Å; V1310-F1324 HydrophobicContact CG1-CD2 3.68Å; V1310-F1324 HydrophobicContact CG1-CE2 3.73Å; D1312-F1324 HydrophobicContact CB-CE2 3.83Å; D1312-F1324 HydrophobicContact CB-CZ 3.86Å; E1322-F1324 HydrophobicContact CB-CE1 4.15Å; E1322-F1324 HydrophobicContact CB-CE2 4.38Å; E1322-F1324 HydrophobicContact CB-CZ 4.05Å; E1322-F1324 WeakPolarHBondContact OE2-CE1 3.45Å |
| 1325 | M | 93.2 | Very high | 87.1 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 10% | 0.103 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 131.6 | 163.1 | 177 | -171.2 | -67.6 | 0 | 0 | 109.1 | F1244 W1253 M1305 A1306 M1307 | F1244-M1325 HydrophobicContact CB-CB 4.32Å; F1244-M1325 PolarHBondContact N-O 3.27Å; F1244-M1325 PolarHBondContact O-N 2.76Å; W1253-M1325 HydrophobicContact CD2-CB 4.39Å; W1253-M1325 HydrophobicContact CD2-CE 3.98Å; W1253-M1325 HydrophobicContact CD2-SD 4.5Å; W1253-M1325 VanDerWaalsContact CE2-CE 3.46Å; W1253-M1325 HydrophobicContact CE3-CB 3.84Å; W1253-M1325 HydrophobicContact CG-CE 4.47Å; W1253-M1325 HydrophobicContact CH2-CB 3.7Å; W1253-M1325 HydrophobicContact CH2-CE 4.2Å; W1253-M1325 HydrophobicContact CZ2-CB 4.29Å; W1253-M1325 HydrophobicContact CZ2-CE 3.61Å; W1253-M1325 HydrophobicContact CZ3-CB 3.46Å; W1253-M1325 VanDerWaalsContact CZ3-CB 3.46Å; M1305-M1325 HydrophobicContact CB-CG 4.43Å; M1305-M1325 HydrophobicContact CB-SD 4.5Å; M1305-M1325 HydrophobicContact CE-SD 4.07Å; M1305-M1325 HydrophobicContact CG-SD 4.34Å; M1305-M1325 HydrophobicContact SD-CG 3.83Å; M1305-M1325 HydrophobicContact SD-SD 3.74Å; A1306-M1325 CarbonylContact O-C 3.48Å; A1306-M1325 VanDerWaalsContact O-CA 3.26Å; A1306-M1325 WeakPolarHBondContact O-CA 3.32Å; M1307-M1325 HydrophobicContact CG-CB 4.01Å; M1307-M1325 HydrophobicContact CG-CE 3.76Å; M1307-M1325 HydrophobicContact CG-CG 3.96Å; M1307-M1325 HydrophobicContact SD-CE 3.44Å; M1307-M1325 WeakPolarHBondContact SD-CE 3.18Å |
| 1326 | I | 94.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 136 | 179.2 | -160.6 | 165.8 | 0 | 0 | 0 | 111.3 | A1241 R1242 L1243 A1261 M1305 A1306 W1308 F1328 L1334 F1337 | A1241-I1326 HydrophobicContact CB-CD1 3.78Å; A1241-I1326 HydrophobicContact CB-CG1 3.71Å; R1242-I1326 CarbonylContact O-C 3.52Å; L1243-I1326 HydrophobicContact CD1-CB 4.31Å; L1243-I1326 HydrophobicContact CD1-CG1 4.47Å; A1261-I1326 HydrophobicContact CB-CD1 3.8Å; M1305-I1326 VanDerWaalsContact CA-O 3.27Å; M1305-I1326 WeakPolarHBondContact CA-O 3.26Å; A1306-I1326 HydrophobicContact CB-CG2 4.36Å; A1306-I1326 PolarHBondContact N-O 2.88Å; A1306-I1326 PolarHBondContact O-N 2.9Å; W1308-I1326 HydrophobicContact CH2-CB 3.94Å; W1308-I1326 HydrophobicContact CH2-CD1 4.29Å; W1308-I1326 HydrophobicContact CH2-CG2 4.03Å; W1308-I1326 HydrophobicContact CZ3-CB 3.88Å; W1308-I1326 HydrophobicContact CZ3-CG2 3.59Å; I1326-F1328 HydrophobicContact CD1-CE1 4.36Å; I1326-F1328 HydrophobicContact CD1-CE2 3.88Å; I1326-F1328 HydrophobicContact CD1-CZ 3.6Å; I1326-F1328 HydrophobicContact CG1-CE2 4.01Å; I1326-F1328 HydrophobicContact CG1-CZ 4.14Å; I1326-F1328 HydrophobicContact CG2-CD2 4.3Å; I1326-F1328 HydrophobicContact CG2-CE2 3.74Å; I1326-L1334 HydrophobicContact CG2-CD1 4.3Å; I1326-F1337 HydrophobicContact CG2-CE1 4.14Å |
| 1327 | Q | 94.1 | Very high | 88.9 | Confident | 51 Ų | 51 | 58.1 Ų | 58.1 | 24% | 0.238 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.7 | 173.8 | -160.9 | 174.5 | 30.6 | 0 | 0 | 111.2 | A1241 R1242 F1244 D1302 K1304 M1305 | A1241-Q1327 CarbonylContact C-O 3.55Å; A1241-Q1327 VanDerWaalsContact CA-O 3.26Å; A1241-Q1327 WeakPolarHBondContact CA-O 3.37Å; R1242-Q1327 HydrophobicContact CB-CB 4.31Å; R1242-Q1327 PolarHBondContact N-O 3.41Å; R1242-Q1327 PolarHBondContact O-N 2.99Å; F1244-Q1327 HydrophobicContact CE2-CB 4.22Å; D1302-Q1327 PolarHBondContact OD2-NE2 3.04Å; K1304-Q1327 HydrophobicContact CB-CG 4.47Å; K1304-Q1327 WeakPolarHBondContact O-CA 3.37Å; M1305-Q1327 HydrophobicContact CE-CB 3.75Å; M1305-Q1327 HydrophobicContact CE-CG 3.63Å; M1305-Q1327 HydrophobicContact CG-CG 4.38Å; M1305-Q1327 HydrophobicContact SD-CB 3.37Å; M1305-Q1327 WeakPolarHBondContact SD-CB 3.48Å; M1305-Q1327 HydrophobicContact SD-CG 3.58Å; M1305-Q1327 VanDerWaalsContact SD-CG 3.58Å |
| 1328 | F | 95.7 | Very high | 89.6 | Confident | 6 Ų | 6 | 52.3 Ų | 52.3 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 165.4 | 169.9 | -67.7 | -79.4 | 0 | 0 | 0 | 112.6 | F1237 E1239 A1241 K1304 I1326 S1330 I1333 L1334 F1337 | F1237-F1328 AromaticContact CE1-CE1 3.68Å; F1237-F1328 HydrophobicContact CE1-CE1 3.68Å; F1237-F1328 AromaticContact CE1-CZ 3.66Å; F1237-F1328 HydrophobicContact CE1-CZ 3.66Å; F1237-F1328 HydrophobicContact CZ-CD1 4.42Å; F1237-F1328 AromaticContact CZ-CE1 3.61Å; F1237-F1328 HydrophobicContact CZ-CE1 3.61Å; F1237-F1328 AromaticContact CZ-CZ 3.68Å; F1237-F1328 HydrophobicContact CZ-CZ 3.68Å; E1239-F1328 HydrophobicContact CB-CD1 4.1Å; E1239-F1328 HydrophobicContact CB-CE1 3.94Å; A1241-F1328 HydrophobicContact CB-CD1 3.82Å; A1241-F1328 HydrophobicContact CB-CE1 3.61Å; A1241-F1328 HydrophobicContact CB-CZ 4.18Å; K1304-F1328 PolarHBondContact O-N 3.45Å; K1304-F1328 VanDerWaalsContact O-N 3.12Å; I1326-F1328 HydrophobicContact CD1-CE1 4.36Å; I1326-F1328 HydrophobicContact CD1-CE2 3.88Å; I1326-F1328 HydrophobicContact CD1-CZ 3.6Å; I1326-F1328 HydrophobicContact CG1-CE2 4.01Å; I1326-F1328 HydrophobicContact CG1-CZ 4.14Å; I1326-F1328 HydrophobicContact CG2-CD2 4.3Å; I1326-F1328 HydrophobicContact CG2-CE2 3.74Å; F1328-S1330 PolarHBondContact O-N 3.49Å; F1328-I1333 HydrophobicContact CB-CB 4.05Å; F1328-I1333 HydrophobicContact CB-CG2 3.74Å; F1328-I1333 HydrophobicContact CD1-CG2 3.34Å; F1328-I1333 HydrophobicContact CD2-CG2 4.26Å; F1328-I1333 HydrophobicContact CE1-CG2 3.92Å; F1328-I1333 HydrophobicContact CG-CB 4.34Å; F1328-I1333 HydrophobicContact CG-CG2 3.52Å; F1328-L1334 HydrophobicContact CD2-CB 4.21Å; F1328-L1334 HydrophobicContact CD2-CD1 3.58Å; F1328-L1334 HydrophobicContact CE2-CD1 3.88Å; F1328-F1337 HydrophobicContact CE2-CB 3.94Å; F1328-F1337 AromaticContact CE2-CD1 3.91Å; F1328-F1337 HydrophobicContact CE2-CD1 3.91Å; F1328-F1337 HydrophobicContact CE2-CD2 4.16Å; F1328-F1337 HydrophobicContact CE2-CE1 4.44Å; F1328-F1337 AromaticContact CE2-CG 3.74Å; F1328-F1337 HydrophobicContact CE2-CG 3.74Å; F1328-F1337 HydrophobicContact CZ-CB 4.15Å; F1328-F1337 HydrophobicContact CZ-CD1 4.41Å; F1328-F1337 AromaticContact CZ-CD2 3.84Å; F1328-F1337 HydrophobicContact CZ-CD2 3.84Å; F1328-F1337 HydrophobicContact CZ-CE2 4.32Å; F1328-F1337 AromaticContact CZ-CG 3.88Å; F1328-F1337 HydrophobicContact CZ-CG 3.88Å |
| 1329 | K | 91 | Very high | 90.6 | Very high | 160 Ų | 160 | 50.7 Ų | 50.7 | 70% | 0.696 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -64 | -37.4 | -179.4 | -169.9 | 173.3 | -178.2 | 174.6 | 0 | 112.7 | K1304 I1333 | K1304-K1329 WeakPolarHBondContact CE-O 3.49Å; K1304-K1329 PolarHBondContact NZ-O 2.69Å; K1329-I1333 HydrophobicContact CB-CD1 4.44Å |
| 1330 | S | 88.7 | Confident | 91.3 | Very high | 28 Ų | 28 | 50.6 Ų | 50.6 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -131.4 | 154.7 | 179.3 | 73.6 | 0 | 0 | 0 | 0 | 111.7 | F1328 E1332 I1333 L1334 | F1328-S1330 PolarHBondContact O-N 3.49Å; S1330-E1332 PolarHBondContact O-N 2.76Å; S1330-I1333 PolarHBondContact O-N 2.76Å; S1330-I1333 WeakPolarHBondContact OG-CG1 3.34Å; S1330-I1333 PolarHBondContact OG-N 3.48Å; S1330-L1334 PolarHBondContact O-N 3.48Å |
| 1331 | P | 89.3 | Confident | 91.7 | Very high | 43 Ų | 43 | 47.2 Ų | 47.2 | 28% | 0.279 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.1 | -22 | 174.2 | 30.2 | -36.1 | 0 | 0 | 0 | 112.4 | Q1303 L1334 N1335 | Q1303-P1331 HydrophobicContact CB-CB 4.16Å; Q1303-P1331 WeakPolarHBondContact O-CB 3.49Å; P1331-L1334 PolarHBondContact O-N 2.64Å; P1331-N1335 VanDerWaalsContact O-CG 3.26Å; P1331-N1335 PolarHBondContact O-N 3.07Å; P1331-N1335 PolarHBondContact O-ND2 2.93Å |
| 1332 | E | 88.6 | Confident | 91.8 | Very high | 149 Ų | 149 | 45.1 Ų | 45.1 | 70% | 0.696 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -63.7 | -42.5 | 174.9 | -64.6 | 169.8 | 177.6 | 0 | 0 | 111.6 | S1330 L1334 N1335 N1336 | S1330-E1332 PolarHBondContact O-N 2.76Å; E1332-L1334 VanDerWaalsContact C-N 3.33Å; E1332-N1335 PolarHBondContact O-N 3.25Å; E1332-N1336 PolarHBondContact O-N 3.48Å |
| 1333 | I | 93.5 | Very high | 91.8 | Very high | 32 Ų | 32 | 48.1 Ų | 48.1 | 16% | 0.164 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 173.3 | -67.9 | 165.1 | 0 | 0 | 0 | 110.2 | F1237 E1239 F1328 K1329 S1330 N1335 N1336 F1337 | F1237-I1333 HydrophobicContact CE2-CG2 4.17Å; F1237-I1333 HydrophobicContact CZ-CG2 3.79Å; E1239-I1333 HydrophobicContact CB-CG2 3.71Å; E1239-I1333 HydrophobicContact CG-CG1 4.41Å; E1239-I1333 HydrophobicContact CG-CG2 3.7Å; F1328-I1333 HydrophobicContact CB-CB 4.05Å; F1328-I1333 HydrophobicContact CB-CG2 3.74Å; F1328-I1333 HydrophobicContact CD1-CG2 3.34Å; F1328-I1333 HydrophobicContact CD2-CG2 4.26Å; F1328-I1333 HydrophobicContact CE1-CG2 3.92Å; F1328-I1333 HydrophobicContact CG-CB 4.34Å; F1328-I1333 HydrophobicContact CG-CG2 3.52Å; K1329-I1333 HydrophobicContact CB-CD1 4.44Å; S1330-I1333 PolarHBondContact O-N 2.76Å; S1330-I1333 WeakPolarHBondContact OG-CG1 3.34Å; S1330-I1333 PolarHBondContact OG-N 3.48Å; I1333-N1335 VanDerWaalsContact C-N 3.33Å; I1333-N1335 PolarHBondContact O-N 2.83Å; I1333-N1336 PolarHBondContact O-N 3.25Å; I1333-F1337 WeakPolarHBondContact O-CB 3.38Å; I1333-F1337 PolarHBondContact O-N 3.49Å |
| 1334 | L | 91.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.3 | -38.4 | 176.9 | -171.5 | 75.9 | 0 | 0 | 0 | 112.2 | L1298 Q1303 A1306 I1326 F1328 S1330 P1331 E1332 F1337 S1338 | L1298-L1334 HydrophobicContact CD2-CD2 3.51Å; L1298-L1334 HydrophobicContact CD2-CG 4.08Å; Q1303-L1334 WeakPolarHBondContact O-CD2 3.23Å; A1306-L1334 HydrophobicContact CB-CD1 3.73Å; A1306-L1334 HydrophobicContact CB-CD2 4.42Å; A1306-L1334 HydrophobicContact CB-CG 4.48Å; I1326-L1334 HydrophobicContact CG2-CD1 4.3Å; F1328-L1334 HydrophobicContact CD2-CB 4.21Å; F1328-L1334 HydrophobicContact CD2-CD1 3.58Å; F1328-L1334 HydrophobicContact CE2-CD1 3.88Å; S1330-L1334 PolarHBondContact O-N 3.48Å; P1331-L1334 PolarHBondContact O-N 2.64Å; E1332-L1334 VanDerWaalsContact C-N 3.33Å; L1334-F1337 HydrophobicContact CD1-CD1 4.37Å; L1334-F1337 PolarHBondContact O-N 2.95Å; L1334-S1338 VanDerWaalsContact O-CB 3.29Å; L1334-S1338 WeakPolarHBondContact O-CB 3.35Å; L1334-S1338 PolarHBondContact O-N 2.89Å; L1334-S1338 PolarHBondContact O-OG 3.49Å |
| 1335 | N | 90.4 | Very high | 91.1 | Very high | 96 Ų | 96 | 46.1 Ų | 46.1 | 51% | 0.513 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.5 | -41.2 | 175.3 | -72.2 | -26.3 | 0 | 0 | 0 | 111.3 | P1331 E1332 I1333 S1338 R1339 | P1331-N1335 VanDerWaalsContact O-CG 3.26Å; P1331-N1335 PolarHBondContact O-N 3.07Å; P1331-N1335 PolarHBondContact O-ND2 2.93Å; E1332-N1335 PolarHBondContact O-N 3.25Å; I1333-N1335 VanDerWaalsContact C-N 3.33Å; I1333-N1335 PolarHBondContact O-N 2.83Å; N1335-S1338 PolarHBondContact O-N 3.39Å; N1335-R1339 WeakPolarHBondContact O-CB 3.42Å; N1335-R1339 PolarHBondContact O-N 3.41Å |
| 1336 | N | 92.9 | Very high | 90.5 | Very high | 63 Ų | 63 | 49 Ų | 49 | 34% | 0.337 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 175.1 | -167.9 | 36.1 | 0 | 0 | 0 | 111.8 | E1332 I1333 R1339 I1340 | E1332-N1336 PolarHBondContact O-N 3.48Å; I1333-N1336 PolarHBondContact O-N 3.25Å; N1336-R1339 PolarHBondContact O-N 3.22Å; N1336-R1339 PolarHBondContact OD1-NH2 2.94Å; N1336-I1340 WeakPolarHBondContact O-CG1 3.46Å; N1336-I1340 PolarHBondContact O-N 3.14Å |
| 1337 | F | 94.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.6 | -50.9 | 172 | 176 | -104.4 | 0 | 0 | 0 | 111.3 | F1237 I1263 L1274 L1296 W1308 I1326 F1328 I1333 L1334 R1339 I1340 F1341 | F1237-F1337 AromaticContact CD1-CD2 3.76Å; F1237-F1337 HydrophobicContact CD1-CD2 3.76Å; F1237-F1337 HydrophobicContact CD1-CE2 4.48Å; F1237-F1337 HydrophobicContact CD2-CB 4.37Å; F1237-F1337 HydrophobicContact CE1-CB 4.23Å; F1237-F1337 AromaticContact CE1-CD2 3.57Å; F1237-F1337 HydrophobicContact CE1-CD2 3.57Å; F1237-F1337 HydrophobicContact CE1-CE2 4.41Å; F1237-F1337 HydrophobicContact CE1-CG 4.32Å; F1237-F1337 HydrophobicContact CE2-CB 3.78Å; F1237-F1337 HydrophobicContact CE2-CD2 4.48Å; F1237-F1337 HydrophobicContact CG-CD2 4.3Å; F1237-F1337 HydrophobicContact CZ-CB 3.68Å; F1237-F1337 AromaticContact CZ-CD2 3.95Å; F1237-F1337 HydrophobicContact CZ-CD2 3.95Å; F1237-F1337 HydrophobicContact CZ-CG 4.25Å; I1263-F1337 HydrophobicContact CD1-CD2 3.88Å; I1263-F1337 HydrophobicContact CD1-CE2 3.79Å; I1263-F1337 HydrophobicContact CG1-CD2 4.49Å; I1263-F1337 HydrophobicContact CG1-CE2 4.16Å; L1274-F1337 HydrophobicContact CD1-CE2 3.71Å; L1274-F1337 HydrophobicContact CD1-CZ 3.57Å; L1296-F1337 HydrophobicContact CD1-CD1 4.15Å; L1296-F1337 HydrophobicContact CD1-CE1 3.71Å; W1308-F1337 HydrophobicContact CH2-CE1 4.47Å; W1308-F1337 HydrophobicContact CH2-CZ 4.11Å; W1308-F1337 HydrophobicContact CZ3-CE1 4.15Å; W1308-F1337 HydrophobicContact CZ3-CZ 4.24Å; I1326-F1337 HydrophobicContact CG2-CE1 4.14Å; F1328-F1337 HydrophobicContact CE2-CB 3.94Å; F1328-F1337 AromaticContact CE2-CD1 3.91Å; F1328-F1337 HydrophobicContact CE2-CD1 3.91Å; F1328-F1337 HydrophobicContact CE2-CD2 4.16Å; F1328-F1337 HydrophobicContact CE2-CE1 4.44Å; F1328-F1337 AromaticContact CE2-CG 3.74Å; F1328-F1337 HydrophobicContact CE2-CG 3.74Å; F1328-F1337 HydrophobicContact CZ-CB 4.15Å; F1328-F1337 HydrophobicContact CZ-CD1 4.41Å; F1328-F1337 AromaticContact CZ-CD2 3.84Å; F1328-F1337 HydrophobicContact CZ-CD2 3.84Å; F1328-F1337 HydrophobicContact CZ-CE2 4.32Å; F1328-F1337 AromaticContact CZ-CG 3.88Å; F1328-F1337 HydrophobicContact CZ-CG 3.88Å; I1333-F1337 WeakPolarHBondContact O-CB 3.38Å; I1333-F1337 PolarHBondContact O-N 3.49Å; L1334-F1337 HydrophobicContact CD1-CD1 4.37Å; L1334-F1337 PolarHBondContact O-N 2.95Å; F1337-R1339 VanDerWaalsContact C-N 3.34Å; F1337-R1339 PolarHBondContact O-N 3.34Å; F1337-I1340 PolarHBondContact O-N 3.19Å; F1337-F1341 HydrophobicContact CE1-CD2 4.36Å; F1337-F1341 AromaticContact CZ-CD2 4Å; F1337-F1341 HydrophobicContact CZ-CD2 4Å; F1337-F1341 VanDerWaalsContact O-CB 3.23Å; F1337-F1341 WeakPolarHBondContact O-CB 3.46Å; F1337-F1341 PolarHBondContact O-N 3.45Å |
| 1338 | S | 88.9 | Confident | 88.2 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 11% | 0.105 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.8 | -36.7 | -178.4 | -56 | 0 | 0 | 0 | 0 | 112.4 | L1334 N1335 S1342 | L1334-S1338 VanDerWaalsContact O-CB 3.29Å; L1334-S1338 WeakPolarHBondContact O-CB 3.35Å; L1334-S1338 PolarHBondContact O-N 2.89Å; L1334-S1338 PolarHBondContact O-OG 3.49Å; N1335-S1338 PolarHBondContact O-N 3.39Å; S1338-S1342 WeakPolarHBondContact O-CB 3.35Å; S1338-S1342 PolarHBondContact O-N 3.4Å; S1338-S1342 PolarHBondContact O-OG 3.34Å |
| 1339 | R | 92.6 | Very high | 86.6 | Confident | 121 Ų | 121 | 53.7 Ų | 53.7 | 46% | 0.457 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.3 | -54 | 173 | -178.5 | -175.8 | 65.3 | 81.6 | 3.3 | 110.8 | N1335 N1336 F1337 F1341 S1342 E1343 | N1335-R1339 WeakPolarHBondContact O-CB 3.42Å; N1335-R1339 PolarHBondContact O-N 3.41Å; N1336-R1339 PolarHBondContact O-N 3.22Å; N1336-R1339 PolarHBondContact OD1-NH2 2.94Å; F1337-R1339 VanDerWaalsContact C-N 3.34Å; F1337-R1339 PolarHBondContact O-N 3.34Å; R1339-F1341 VanDerWaalsContact C-N 3.35Å; R1339-F1341 PolarHBondContact O-N 3.25Å; R1339-S1342 WeakPolarHBondContact O-CB 3.31Å; R1339-S1342 PolarHBondContact O-N 2.99Å; R1339-E1343 VanDerWaalsContact CG-OE1 3.28Å; R1339-E1343 WeakPolarHBondContact CG-OE1 3.36Å; R1339-E1343 IonicContact CZ-OE1 3Å; R1339-E1343 IonicContact CZ-OE2 2.82Å; R1339-E1343 IonicContact NH1-OE1 2.73Å; R1339-E1343 PolarHBondContact NH1-OE1 3.34Å; R1339-E1343 IonicContact NH1-OE2 3.67Å; R1339-E1343 PolarHBondContact NH1-OE2 3.35Å; R1339-E1343 WeakPolarHBondContact O-CG 3.26Å; R1339-E1343 PolarHBondContact O-N 3.27Å |
| 1340 | I | 91.9 | Very high | 85.2 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.9 | -40 | -178.6 | -67 | 164 | 0 | 0 | 0 | 110.9 | L1236 F1237 I1263 N1336 F1337 S1342 E1343 C1344 | L1236-I1340 HydrophobicContact CB-CG2 3.84Å; L1236-I1340 HydrophobicContact CD1-CG2 4.37Å; F1237-I1340 HydrophobicContact CB-CD1 3.98Å; F1237-I1340 HydrophobicContact CB-CG2 4.26Å; F1237-I1340 HydrophobicContact CD2-CD1 3.98Å; F1237-I1340 HydrophobicContact CG-CD1 4.46Å; I1263-I1340 HydrophobicContact CD1-CG2 3.99Å; I1263-I1340 HydrophobicContact CG2-CG2 4.4Å; N1336-I1340 WeakPolarHBondContact O-CG1 3.46Å; N1336-I1340 PolarHBondContact O-N 3.14Å; F1337-I1340 PolarHBondContact O-N 3.19Å; I1340-S1342 VanDerWaalsContact C-N 3.32Å; I1340-S1342 PolarHBondContact O-N 3.04Å; I1340-E1343 PolarHBondContact O-N 2.89Å; I1340-C1344 PolarHBondContact O-N 3Å; I1340-C1344 PolarHBondContact O-SG 2.96Å |
| 1341 | F | 92.6 | Very high | 83.5 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58 | -45.9 | 174 | -162.6 | -77.7 | 0 | 0 | 0 | 110.8 | I1263 L1274 I1290 I1294 L1296 F1337 R1339 C1344 T1345 | I1263-F1341 HydrophobicContact CD1-CB 4.36Å; I1263-F1341 HydrophobicContact CD1-CD2 4.3Å; L1274-F1341 HydrophobicContact CD1-CE2 4.25Å; I1290-F1341 HydrophobicContact CD1-CD2 3.83Å; I1290-F1341 HydrophobicContact CD1-CE2 3.91Å; I1290-F1341 HydrophobicContact CD1-CG 4.41Å; I1290-F1341 HydrophobicContact CG1-CD2 4.35Å; I1290-F1341 HydrophobicContact CG1-CE2 3.92Å; I1290-F1341 HydrophobicContact CG1-CZ 4.21Å; I1290-F1341 HydrophobicContact CG2-CD1 4.17Å; I1290-F1341 HydrophobicContact CG2-CE1 3.85Å; I1290-F1341 HydrophobicContact CG2-CE2 4.33Å; I1290-F1341 HydrophobicContact CG2-CZ 3.93Å; I1294-F1341 HydrophobicContact CB-CE1 4.3Å; I1294-F1341 HydrophobicContact CB-CZ 4.28Å; I1294-F1341 HydrophobicContact CG2-CE1 4.01Å; I1294-F1341 HydrophobicContact CG2-CZ 3.75Å; L1296-F1341 HydrophobicContact CB-CD1 4.41Å; L1296-F1341 HydrophobicContact CB-CE1 4.47Å; L1296-F1341 HydrophobicContact CD1-CB 4.26Å; L1296-F1341 HydrophobicContact CD1-CD1 4.14Å; L1296-F1341 HydrophobicContact CD1-CD2 4.26Å; L1296-F1341 HydrophobicContact CD1-CG 3.97Å; F1337-F1341 HydrophobicContact CE1-CD2 4.36Å; F1337-F1341 AromaticContact CZ-CD2 4Å; F1337-F1341 HydrophobicContact CZ-CD2 4Å; F1337-F1341 VanDerWaalsContact O-CB 3.23Å; F1337-F1341 WeakPolarHBondContact O-CB 3.46Å; F1337-F1341 PolarHBondContact O-N 3.45Å; R1339-F1341 VanDerWaalsContact C-N 3.35Å; R1339-F1341 PolarHBondContact O-N 3.25Å; F1341-C1344 WeakPolarHBondContact O-CB 3.44Å; F1341-C1344 PolarHBondContact O-N 3.35Å; F1341-T1345 PolarHBondContact O-N 2.83Å; F1341-T1345 PolarHBondContact O-OG1 3.22Å |
| 1342 | S | 88.1 | Confident | 81.4 | Confident | 64 Ų | 64 | 55.4 Ų | 55.4 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 176.7 | -55.9 | 0 | 0 | 0 | 0 | 112.6 | S1338 R1339 I1340 T1345 T1346 | S1338-S1342 WeakPolarHBondContact O-CB 3.35Å; S1338-S1342 PolarHBondContact O-N 3.4Å; S1338-S1342 PolarHBondContact O-OG 3.34Å; R1339-S1342 WeakPolarHBondContact O-CB 3.31Å; R1339-S1342 PolarHBondContact O-N 2.99Å; I1340-S1342 VanDerWaalsContact C-N 3.32Å; I1340-S1342 PolarHBondContact O-N 3.04Å; S1342-T1345 WeakPolarHBondContact O-CB 3.45Å; S1342-T1345 PolarHBondContact O-N 2.76Å; S1342-T1346 WeakPolarHBondContact O-CG2 3.06Å; S1342-T1346 PolarHBondContact O-N 2.86Å; S1342-T1346 PolarHBondContact O-OG1 2.9Å |
| 1343 | E | 88.9 | Confident | 79.5 | Confident | 82 Ų | 82 | 52.7 Ų | 52.7 | 38% | 0.383 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.3 | -50.2 | 173.6 | -74.5 | 165.5 | -173.2 | 0 | 0 | 110.2 | R1339 I1340 T1345 T1346 E1347 | R1339-E1343 VanDerWaalsContact CG-OE1 3.28Å; R1339-E1343 WeakPolarHBondContact CG-OE1 3.36Å; R1339-E1343 IonicContact CZ-OE1 3Å; R1339-E1343 IonicContact CZ-OE2 2.82Å; R1339-E1343 IonicContact NH1-OE1 2.73Å; R1339-E1343 PolarHBondContact NH1-OE1 3.34Å; R1339-E1343 IonicContact NH1-OE2 3.67Å; R1339-E1343 PolarHBondContact NH1-OE2 3.35Å; R1339-E1343 WeakPolarHBondContact O-CG 3.26Å; R1339-E1343 PolarHBondContact O-N 3.27Å; I1340-E1343 PolarHBondContact O-N 2.89Å; E1343-T1345 VanDerWaalsContact C-N 3.33Å; E1343-T1345 PolarHBondContact O-N 3.04Å; E1343-T1346 PolarHBondContact O-N 3.12Å; E1343-T1346 PolarHBondContact O-OG1 3.32Å; E1343-E1347 PolarHBondContact O-N 3.06Å |
| 1344 | C | 87.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.8 | -40.9 | 173.9 | -65.6 | 0 | 0 | 0 | 0 | 113.3 | C1272 I1290 I1340 F1341 T1346 T1348 | C1272-C1344 HydrophobicContact CB-CB 3.69Å; I1290-C1344 HydrophobicContact CB-CB 4.44Å; I1290-C1344 HydrophobicContact CD1-CB 4.15Å; I1290-C1344 HydrophobicContact CG2-CB 4.04Å; I1340-C1344 PolarHBondContact O-N 3Å; I1340-C1344 PolarHBondContact O-SG 2.96Å; F1341-C1344 WeakPolarHBondContact O-CB 3.44Å; F1341-C1344 PolarHBondContact O-N 3.35Å; C1344-T1346 VanDerWaalsContact C-N 3.33Å; C1344-T1348 PolarHBondContact O-N 3.25Å; C1344-T1348 VanDerWaalsContact O-N 3.11Å; C1344-T1348 PolarHBondContact O-OG1 3.18Å |
| 1345 | T | 84.3 | Confident | 74.7 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 15% | 0.147 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 175.1 | -51.7 | 0 | 0 | 0 | 0 | 111.8 | F1341 S1342 E1343 T1348 N1349 | F1341-T1345 PolarHBondContact O-N 2.83Å; F1341-T1345 PolarHBondContact O-OG1 3.22Å; S1342-T1345 WeakPolarHBondContact O-CB 3.45Å; S1342-T1345 PolarHBondContact O-N 2.76Å; E1343-T1345 VanDerWaalsContact C-N 3.33Å; E1343-T1345 PolarHBondContact O-N 3.04Å; T1345-T1348 PolarHBondContact O-OG1 3.35Å; T1345-N1349 PolarHBondContact O-ND2 2.82Å |
| 1346 | T | 79.2 | Confident | 72 | Confident | 82 Ų | 82 | 64 Ų | 64 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -76 | -41.5 | 176.3 | 58.7 | 0 | 0 | 0 | 0 | 113.2 | S1342 E1343 C1344 T1348 N1349 I1350 | S1342-T1346 WeakPolarHBondContact O-CG2 3.06Å; S1342-T1346 PolarHBondContact O-N 2.86Å; S1342-T1346 PolarHBondContact O-OG1 2.9Å; E1343-T1346 PolarHBondContact O-N 3.12Å; E1343-T1346 PolarHBondContact O-OG1 3.32Å; C1344-T1346 VanDerWaalsContact C-N 3.33Å; T1346-T1348 PolarHBondContact O-N 3.24Å; T1346-N1349 WeakPolarHBondContact O-CB 3.44Å; T1346-N1349 PolarHBondContact O-N 2.81Å; T1346-I1350 PolarHBondContact O-N 3.44Å |
| 1347 | E | 73.4 | Confident | 69.3 | Low | 68 Ų | 68 | 68.4 Ų | 68.4 | 32% | 0.318 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 178.6 | -71.1 | -170 | 132.6 | 0 | 0 | 112.2 | K1265 E1343 N1349 I1350 V1351 | K1265-E1347 WeakPolarHBondContact CE-OE2 3.32Å; K1265-E1347 IonicContact NZ-OE1 2.82Å; K1265-E1347 PolarHBondContact NZ-OE1 3.44Å; K1265-E1347 IonicContact NZ-OE2 3.72Å; K1265-E1347 PolarHBondContact NZ-OE2 2.94Å; E1343-E1347 PolarHBondContact O-N 3.06Å; E1347-N1349 VanDerWaalsContact C-N 3.27Å; E1347-N1349 PolarHBondContact O-N 3.09Å; E1347-I1350 PolarHBondContact O-N 3.16Å; E1347-I1350 VanDerWaalsContact O-N 3.12Å; E1347-V1351 PolarHBondContact O-N 2.84Å; E1347-V1351 VanDerWaalsContact O-N 3.14Å |
| 1348 | T | 67 | Low | 66.5 | Low | 13 Ų | 13 | 76 Ų | 76 | 8% | 0.08 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.4 | -29.6 | 175.8 | 43.5 | 0 | 0 | 0 | 0 | 112.9 | C1344 T1345 T1346 N1352 | C1344-T1348 PolarHBondContact O-N 3.25Å; C1344-T1348 VanDerWaalsContact O-N 3.11Å; C1344-T1348 PolarHBondContact O-OG1 3.18Å; T1345-T1348 PolarHBondContact O-OG1 3.35Å; T1346-T1348 PolarHBondContact O-N 3.24Å; T1348-N1352 WeakPolarHBondContact O-CB 3.45Å; T1348-N1352 VanDerWaalsContact O-CG 3.25Å; T1348-N1352 PolarHBondContact O-N 3.35Å; T1348-N1352 VanDerWaalsContact O-N 3.12Å; T1348-N1352 PolarHBondContact O-ND2 2.87Å |
| 1349 | N | 62.3 | Low | 63.5 | Low | 75 Ų | 75 | 80 Ų | 80 | 40% | 0.401 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 170.7 | -88.5 | -32.1 | 0 | 0 | 0 | 112.8 | P1292 T1345 T1346 E1347 T1353 | P1292-N1349 VanDerWaalsContact CB-OD1 3.25Å; P1292-N1349 WeakPolarHBondContact CB-OD1 3.39Å; P1292-N1349 WeakPolarHBondContact CG-OD1 3.35Å; T1345-N1349 PolarHBondContact O-ND2 2.82Å; T1346-N1349 WeakPolarHBondContact O-CB 3.44Å; T1346-N1349 PolarHBondContact O-N 2.81Å; E1347-N1349 VanDerWaalsContact C-N 3.27Å; E1347-N1349 PolarHBondContact O-N 3.09Å; N1349-T1353 WeakPolarHBondContact O-CB 3Å; N1349-T1353 PolarHBondContact O-N 3.05Å; N1349-T1353 PolarHBondContact O-OG1 2.91Å |
| 1350 | I | 61.3 | Low | 60.3 | Low | 118 Ų | 118 | 82 Ų | 82 | 61% | 0.605 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62 | -51.4 | 177.6 | -63.7 | 169.6 | 0 | 0 | 0 | 109.7 | T1346 E1347 N1352 T1353 S1354 | T1346-I1350 PolarHBondContact O-N 3.44Å; E1347-I1350 PolarHBondContact O-N 3.16Å; E1347-I1350 VanDerWaalsContact O-N 3.12Å; I1350-N1352 PolarHBondContact O-N 3.49Å; I1350-T1353 PolarHBondContact O-N 3.42Å; I1350-T1353 VanDerWaalsContact O-N 3.14Å; I1350-S1354 PolarHBondContact O-N 3.31Å; I1350-S1354 VanDerWaalsContact O-N 3.1Å; I1350-S1354 PolarHBondContact O-OG 2.88Å; I1350-S1354 VanDerWaalsContact O-OG 3.12Å |
| 1351 | V | 54.1 | Low | 57.3 | Low | 58 Ų | 58 | 88.5 Ų | 88.5 | 35% | 0.352 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.6 | -46.8 | 179.5 | 178.4 | 0 | 0 | 0 | 0 | 111.4 | E1347 T1353 S1354 V1355 | E1347-V1351 PolarHBondContact O-N 2.84Å; E1347-V1351 VanDerWaalsContact O-N 3.14Å; V1351-T1353 VanDerWaalsContact C-N 3.29Å; V1351-T1353 PolarHBondContact O-N 3.38Å; V1351-S1354 WeakPolarHBondContact CA-OG 3.39Å; V1351-S1354 PolarHBondContact O-N 3Å; V1351-S1354 PolarHBondContact O-OG 3.05Å; V1351-V1355 WeakPolarHBondContact O-CG2 3.41Å; V1351-V1355 PolarHBondContact O-N 2.94Å |
| 1352 | N | 46 | Very low | 54 | Low | 91 Ų | 91 | 91.8 Ų | 91.8 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.1 | -31.6 | 178.7 | -75.9 | -22.7 | 0 | 0 | 0 | 113.2 | T1348 I1350 K1356 | T1348-N1352 WeakPolarHBondContact O-CB 3.45Å; T1348-N1352 VanDerWaalsContact O-CG 3.25Å; T1348-N1352 PolarHBondContact O-N 3.35Å; T1348-N1352 VanDerWaalsContact O-N 3.12Å; T1348-N1352 PolarHBondContact O-ND2 2.87Å; I1350-N1352 PolarHBondContact O-N 3.49Å; N1352-K1356 PolarHBondContact O-N 3.27Å |
| 1353 | T | 48.5 | Very low | 51.1 | Low | 92 Ų | 92 | 96.8 Ų | 96.8 | 56% | 0.564 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -73.4 | -39.6 | 178.3 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | N1349 I1350 V1351 V1355 K1356 | N1349-T1353 WeakPolarHBondContact O-CB 3Å; N1349-T1353 PolarHBondContact O-N 3.05Å; N1349-T1353 PolarHBondContact O-OG1 2.91Å; I1350-T1353 PolarHBondContact O-N 3.42Å; I1350-T1353 VanDerWaalsContact O-N 3.14Å; V1351-T1353 VanDerWaalsContact C-N 3.29Å; V1351-T1353 PolarHBondContact O-N 3.38Å; T1353-V1355 VanDerWaalsContact C-N 3.27Å; T1353-V1355 PolarHBondContact O-N 3.44Å; T1353-K1356 PolarHBondContact O-N 3.08Å |
| 1354 | S | 45.5 | Very low | 48 | Very low | 88 Ų | 88 | 102.4 Ų | 102.4 | 62% | 0.615 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.9 | -21.7 | 175.6 | 40.8 | 0 | 0 | 0 | 0 | 114.7 | I1350 V1351 | I1350-S1354 PolarHBondContact O-N 3.31Å; I1350-S1354 VanDerWaalsContact O-N 3.1Å; I1350-S1354 PolarHBondContact O-OG 2.88Å; I1350-S1354 VanDerWaalsContact O-OG 3.12Å; V1351-S1354 WeakPolarHBondContact CA-OG 3.39Å; V1351-S1354 PolarHBondContact O-N 3Å; V1351-S1354 PolarHBondContact O-OG 3.05Å |
| 1355 | V | 39.1 | Very low | 46 | Very low | 103 Ų | 103 | 107.6 Ų | 107.6 | 62% | 0.624 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -90 | -24.6 | 178.8 | 176.4 | 0 | 0 | 0 | 0 | 112.6 | V1351 T1353 L1357 | V1351-V1355 WeakPolarHBondContact O-CG2 3.41Å; V1351-V1355 PolarHBondContact O-N 2.94Å; T1353-V1355 VanDerWaalsContact C-N 3.27Å; T1353-V1355 PolarHBondContact O-N 3.44Å; V1355-L1357 PolarHBondContact O-N 3.48Å |
| 1356 | K | 32.9 | Very low | 43.1 | Very low | 176 Ų | 176 | 112.1 Ų | 112.1 | 77% | 0.765 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 1.5 | -171.7 | -115.4 | -176.2 | 179 | -174 | 0 | 116.7 | N1352 T1353 | N1352-K1356 PolarHBondContact O-N 3.27Å; T1353-K1356 PolarHBondContact O-N 3.08Å |
| 1357 | L | 36.3 | Very low | 40.4 | Very low | 155 Ų | 155 | 115.7 Ų | 115.7 | 81% | 0.812 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 5.5 | 177.1 | -89.8 | 168.1 | 0 | 0 | 0 | 114.6 | V1355 | V1355-L1357 PolarHBondContact O-N 3.48Š|
| 1358 | I | 35.7 | Very low | 38 | Very low | 159 Ų | 159 | 121.5 Ų | 121.5 | 82% | 0.815 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -138.4 | 62.2 | 177.9 | -42.2 | 178.3 | 0 | 0 | 0 | 111.7 | ||
| 1359 | S | 27.1 | Very low | 35.9 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | trans | -168 | 70.9 | 161.3 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1360 | D | 23.5 | Very low | 34.2 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | trans | -134.1 | 82.7 | 171.5 | -125.6 | -8.9 | 0 | 0 | 0 | 110.4 | ||||
| 1361 | T | 29.6 | Very low | 32.4 | Very low | 148 Ų | 148 | 132 Ų | 132 | 91% | 0.908 | 74% | 0.741 | S | S | * | * | trans | -168.7 | 103.2 | 159.1 | 29.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1362 | G | 23.9 | Very low | 31 | Very low | 70 Ų | 70 | 135.1 Ų | 135.1 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | 65.8 | 113.9 | 127 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1363 | N | 25.9 | Very low | 30 | Very low | 169 Ų | 169 | 137.9 Ų | 137.9 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | trans | 85.2 | 112.9 | 136.1 | -61.7 | -15.5 | 0 | 0 | 0 | 122.9 | ||||
| 1364 | K | 24.6 | Very low | 28.7 | Very low | 200 Ų | 200 | 140 Ų | 140 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | trans | -42.2 | 174.7 | 143.4 | -85.8 | -177.3 | 169.2 | 179.1 | 0 | 114.2 | ||||
| 1365 | P | 46.9 | Very low | 27.8 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | cis | -139.7 | 175.1 | -43.8 | 40.1 | -23.8 | 0 | 0 | 0 | 112.6 | ||||
| 1366 | S | 23.3 | Very low | 27.1 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | 177.7 | 136.3 | 135.1 | -84.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 1367 | L | 22.4 | Very low | 26.5 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -51.9 | 138.5 | 166 | -84.7 | 82.4 | 0 | 0 | 0 | 113.9 | ||||
| 1368 | K | 23.2 | Very low | 25.8 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | 176.9 | 156.1 | 96 | -113.7 | 160.3 | -169.6 | -174.9 | 0 | 113.3 | |||||
| 1369 | N | 22 | Very low | 25.3 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | -48.9 | 150.1 | 174.9 | -46.8 | -16.3 | 0 | 0 | 0 | 113.7 | ||||
| 1370 | D | 27.4 | Very low | 25.9 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | -161.9 | 138.7 | 110.5 | -97.7 | -25.1 | 0 | 0 | 0 | 113.5 | |||||
| 1371 | T | 23.3 | Very low | 25.8 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -78.5 | 137.6 | 170.7 | 33.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1372 | T | 23.2 | Very low | 25.4 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | 175.2 | 127.1 | 120.1 | 27.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1373 | I | 24.9 | Very low | 25.3 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | 22.4 | 122.1 | 125.8 | -53.1 | 167.5 | 0 | 0 | 0 | 115.1 | |||||
| 1374 | D | 22.8 | Very low | 25.2 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | -162.8 | 162.9 | 90.7 | -147.7 | -0.9 | 0 | 0 | 0 | 116.5 | |||||
| 1375 | V | 26.2 | Very low | 25.3 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | trans | -94.4 | 140.5 | -179.5 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1376 | K | 23.7 | Very low | 24 | Very low | 181 Ų | 181 | 136 Ų | 136 | 79% | 0.787 | 78% | 0.776 | S | S | * | * | trans | -166.4 | 105.3 | 150.7 | -105.4 | 139.7 | -168.1 | 161.2 | 0 | 116.5 | ||||
| 1377 | S | 21.3 | Very low | 24 | Very low | 92 Ų | 92 | 135 Ų | 135 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | 40.8 | 124.5 | 122.4 | 64 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1378 | S | 21 | Very low | 24 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | 64.5 | 122.4 | 130.5 | 66.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1379 | G | 24.5 | Very low | 24.1 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | trans | 175.1 | 125 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1380 | P | 41.4 | Very low | 24.1 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | -103.7 | -169.5 | -175.7 | 40 | -35.2 | 0 | 0 | 0 | 113.9 | ||||
| 1381 | M | 19.8 | Very low | 24 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 77% | 0.768 | 75% | 0.753 | S | S | * | * | trans | 105.9 | 104.9 | 155.2 | -75.5 | -69.4 | -173.7 | 0 | 0 | 120.5 | ||||
| 1382 | T | 22 | Very low | 24 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | 69 | 145.1 | 129.3 | 39.7 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 1383 | E | 22 | Very low | 24.2 | Very low | 192 Ų | 192 | 128.7 Ų | 128.7 | 90% | 0.897 | 75% | 0.753 | S | S | * | * | trans | 76.8 | 128.8 | 145.9 | -75.8 | 167.4 | -161.7 | 0 | 0 | 119.9 | ||||
| 1384 | G | 23.7 | Very low | 24.4 | Very low | 71 Ų | 71 | 131 Ų | 131 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | trans | 176.7 | 37.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1385 | I | 26.4 | Very low | 25.3 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | 61.3 | 99.6 | 143.2 | -56 | 167.9 | 0 | 0 | 0 | 119.3 | ||||
| 1386 | Q | 20.6 | Very low | 25.3 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | 46.4 | 148.4 | 120.6 | -57.1 | 177.4 | -12.8 | 0 | 0 | 123.9 | |||||
| 1387 | S | 22 | Very low | 25.3 | Very low | 99 Ų | 99 | 133 Ų | 133 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | 89.9 | 130.9 | 149.4 | -52.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1388 | T | 23.2 | Very low | 25.4 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | cis | 162.8 | 170.3 | -25.1 | 32.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1389 | V | 24.1 | Very low | 25.6 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | trans | 89.6 | 130.7 | 164.8 | -174.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1390 | N | 23.3 | Very low | 25.5 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | -170.7 | 175.9 | -25.6 | -166.9 | 8.7 | 0 | 0 | 0 | 109.3 | ||||
| 1391 | V | 24 | Very low | 24.9 | Very low | 109 Ų | 109 | 140 Ų | 140 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | trans | 103.9 | 78.4 | 151.2 | -162.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1392 | N | 23.4 | Very low | 25.1 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 67% | 0.674 | 77% | 0.774 | S | S | * | * | 63.3 | 116.6 | 120.3 | -58.7 | -22.4 | 0 | 0 | 0 | 123.1 | |||||
| 1393 | T | 29.2 | Very low | 25.2 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | 159 | 148.5 | 101.7 | 41.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1394 | K | 27.2 | Very low | 25.4 | Very low | 197 Ų | 197 | 140.1 Ų | 140.1 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | cis | -155.8 | 162 | -26.9 | -122.7 | -174.1 | 177.1 | 179.1 | 0 | 106.9 | ||||
| 1395 | P | 41.6 | Very low | 25.4 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -108.8 | 165.2 | -158.5 | 40.1 | -35.9 | 0 | 0 | 0 | 116.8 | ||||
| 1396 | L | 26.4 | Very low | 25.4 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | -130.7 | 111.6 | 160.6 | -75.5 | 171.9 | 0 | 0 | 0 | 111.6 | ||||
| 1397 | K | 23.8 | Very low | 25.5 | Very low | 188 Ų | 188 | 142.3 Ų | 142.3 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | 4.5 | 125.1 | 148.1 | -66.2 | -179.6 | 174.8 | -173.3 | 0 | 118.4 | ||||
| 1398 | V | 23.9 | Very low | 25.8 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | 75.6 | 100.9 | 67.3 | 171.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1399 | D | 26.2 | Very low | 25.9 | Very low | 148 Ų | 148 | 148.4 Ų | 148.4 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | -173.1 | 167.8 | 102.4 | -104.4 | -36.6 | 0 | 0 | 0 | 114.6 | |||||
| 1400 | E | 22 | Very low | 26.1 | Very low | 165 Ų | 165 | 147.9 Ų | 147.9 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | trans | -63.2 | 143.2 | -160.9 | -51.2 | 180 | 118.2 | 0 | 0 | 119.4 | ||||
| 1401 | S | 28.2 | Very low | 26.2 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | -163.1 | 150 | 127.6 | 44.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1402 | K | 24.9 | Very low | 26.4 | Very low | 175 Ų | 175 | 147.2 Ų | 147.2 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | trans | -108.6 | 150.7 | -167 | -71 | 170.2 | 176.8 | 163.3 | 0 | 112.8 | ||||
| 1403 | N | 23.2 | Very low | 26.9 | Very low | 148 Ų | 148 | 148.9 Ų | 148.9 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | 54.2 | 126.3 | 153.7 | -55.4 | -8.9 | 0 | 0 | 0 | 117.3 | ||||
| 1404 | T | 25.6 | Very low | 27.2 | Very low | 134 Ų | 134 | 149.5 Ų | 149.5 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | -172.3 | 153.7 | 64 | -56.1 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1405 | V | 24.1 | Very low | 27.6 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -70.2 | 124.6 | -179.8 | 176.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1406 | Q | 26.2 | Very low | 27.5 | Very low | 183 Ų | 183 | 146.1 Ų | 146.1 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -144.5 | 126.5 | 155 | -78.2 | -162.9 | -8 | 0 | 0 | 113.1 | ||||
| 1407 | S | 23.6 | Very low | 28.3 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | 15.9 | 115.4 | 152.5 | -160.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1408 | I | 27.9 | Very low | 29.5 | Very low | 162 Ų | 162 | 141.4 Ų | 141.4 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 117.5 | 168 | -64.1 | 172.6 | 0 | 0 | 0 | 109.1 | ||
| 1409 | K | 25 | Very low | 30.2 | Very low | 188 Ų | 188 | 144.4 Ų | 144.4 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 138.3 | 164.7 | -102.8 | -178.5 | 173.8 | -178.9 | 0 | 109.7 | ||
| 1410 | P | 28.2 | Very low | 31.5 | Very low | 128 Ų | 128 | 140.3 Ų | 140.3 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 130.6 | -179.7 | 30.4 | -33.4 | 0 | 0 | 0 | 110.6 | ||
| 1411 | S | 26.8 | Very low | 32.8 | Very low | 115 Ų | 115 | 136 Ų | 136 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -115.2 | 110.6 | 167.5 | 41.5 | 0 | 0 | 0 | 0 | 108.9 | N1413 | S1411-N1413 PolarHBondContact O-N 3.47Š| ||
| 1412 | S | 27.7 | Very low | 34.5 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | trans | -77.1 | 106.6 | 173.4 | 50.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1413 | N | 32.7 | Very low | 36.3 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | trans | -120.5 | 92.6 | 164 | -115.8 | -22.1 | 0 | 0 | 0 | 107.8 | S1411 D1415 | S1411-N1413 PolarHBondContact O-N 3.47Å; N1413-D1415 PolarHBondContact O-N 3.41Å | ||
| 1414 | I | 36.4 | Very low | 38.5 | Very low | 148 Ų | 148 | 135.4 Ų | 135.4 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | trans | -80 | 102.7 | 174.1 | -64.6 | 174.9 | 0 | 0 | 0 | 106.5 | L1416 | I1414-L1416 PolarHBondContact O-N 3.08Š| ||
| 1415 | D | 35.9 | Very low | 41 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | trans | -71.5 | 98.9 | -176.5 | -176.4 | 14.6 | 0 | 0 | 0 | 111.3 | N1413 S1417 | N1413-D1415 PolarHBondContact O-N 3.41Å; D1415-S1417 PolarHBondContact O-N 3.33Å; D1415-S1417 VanDerWaalsContact O-N 3.15Å; D1415-S1417 WeakPolarHBondContact OD1-CB 3.35Å; D1415-S1417 PolarHBondContact OD1-N 3.04Å; D1415-S1417 PolarHBondContact OD1-OG 3.32Å; D1415-S1417 PolarHBondContact OD2-OG 3.21Å | ||
| 1416 | L | 39 | Very low | 44 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -67.7 | -2.4 | 177 | -74.8 | 165.4 | 0 | 0 | 0 | 113.4 | I1414 K1418 F1419 | I1414-L1416 PolarHBondContact O-N 3.08Å; L1416-K1418 PolarHBondContact O-N 2.66Å; L1416-F1419 HydrophobicContact CD2-CD2 4.16Å; L1416-F1419 PolarHBondContact O-N 2.93Å |
| 1417 | S | 43.8 | Very low | 46.7 | Very low | 68 Ų | 68 | 119.5 Ų | 119.5 | 48% | 0.476 | 65% | 0.652 | S | S | . | * | G | 310 helix | trans | -54.7 | -22.4 | 178.6 | 69.7 | 0 | 0 | 0 | 0 | 114.6 | D1415 F1419 A1420 | D1415-S1417 PolarHBondContact O-N 3.33Å; D1415-S1417 VanDerWaalsContact O-N 3.15Å; D1415-S1417 WeakPolarHBondContact OD1-CB 3.35Å; D1415-S1417 PolarHBondContact OD1-N 3.04Å; D1415-S1417 PolarHBondContact OD1-OG 3.32Å; D1415-S1417 PolarHBondContact OD2-OG 3.21Å; S1417-F1419 VanDerWaalsContact C-N 3.28Å; S1417-F1419 PolarHBondContact O-N 3.18Å; S1417-A1420 WeakPolarHBondContact O-CB 3.46Å; S1417-A1420 PolarHBondContact O-N 2.93Å |
| 1418 | K | 47.9 | Very low | 49.7 | Very low | 191 Ų | 191 | 113.8 Ų | 113.8 | 83% | 0.83 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -69.8 | -17 | 175.2 | -76.4 | -175.9 | 177.5 | 176 | 0 | 115.2 | L1416 | L1416-K1418 PolarHBondContact O-N 2.66Š|
| 1419 | F | 40 | Very low | 52.1 | Low | 183 Ų | 183 | 108.7 Ų | 108.7 | 80% | 0.803 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -98.1 | -4.8 | 174.3 | -66.2 | -74.7 | 0 | 0 | 0 | 113.1 | L1416 S1417 | L1416-F1419 HydrophobicContact CD2-CD2 4.16Å; L1416-F1419 PolarHBondContact O-N 2.93Å; S1417-F1419 VanDerWaalsContact C-N 3.28Å; S1417-F1419 PolarHBondContact O-N 3.18Å |
| 1420 | A | 52.2 | Low | 54.4 | Low | 62 Ų | 62 | 102.3 Ų | 102.3 | 51% | 0.512 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -69.4 | 136.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | S1417 K1422 | S1417-A1420 WeakPolarHBondContact O-CB 3.46Å; S1417-A1420 PolarHBondContact O-N 2.93Å; A1420-K1422 PolarHBondContact O-N 2.93Å |
| 1421 | P | 50.2 | Low | 56.9 | Low | 75 Ų | 75 | 98.4 Ų | 98.4 | 49% | 0.487 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 139.3 | 171 | 22.5 | -31.3 | 0 | 0 | 0 | 110.2 | S1425 Y1434 | P1421-S1425 WeakPolarHBondContact CB-OG 3.46Å; P1421-Y1434 HydrophobicContact CB-CD1 3.63Å; P1421-Y1434 HydrophobicContact CB-CE1 3.83Å; P1421-Y1434 HydrophobicContact CB-CG 4.48Å; P1421-Y1434 HydrophobicContact CG-CD1 4.2Å; P1421-Y1434 HydrophobicContact CG-CE1 3.88Å |
| 1422 | K | 63.6 | Low | 59.1 | Low | 138 Ų | 138 | 98.4 Ų | 98.4 | 60% | 0.6 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 143.7 | 179.5 | -60.8 | -178.5 | -155 | 146.3 | 0 | 109.6 | A1420 D1424 S1425 D1436 | A1420-K1422 PolarHBondContact O-N 2.93Å; K1422-D1424 PolarHBondContact O-N 3.39Å; K1422-S1425 PolarHBondContact N-OG 2.96Å; K1422-S1425 WeakPolarHBondContact O-CB 3.35Å; K1422-S1425 PolarHBondContact O-N 3.28Å; K1422-S1425 PolarHBondContact O-OG 2.92Å; K1422-D1436 VanDerWaalsContact NZ-CG 3.29Å; K1422-D1436 IonicContact NZ-OD1 3.93Å; K1422-D1436 PolarHBondContact NZ-OD1 2.98Å; K1422-D1436 IonicContact NZ-OD2 2.76Å; K1422-D1436 PolarHBondContact NZ-OD2 3.03Å |
| 1423 | L | 63.6 | Low | 61.4 | Low | 174 Ų | 174 | 97.2 Ų | 97.2 | 91% | 0.911 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -28.1 | -165.4 | -139.5 | 77.4 | 0 | 0 | 0 | 116.1 | ||
| 1424 | D | 68.2 | Low | 63.8 | Low | 124 Ų | 124 | 95.7 Ų | 95.7 | 66% | 0.663 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | 6.3 | -179 | -62 | -45.4 | 0 | 0 | 0 | 114.7 | K1422 S1437 | K1422-D1424 PolarHBondContact O-N 3.39Å; D1424-S1437 VanDerWaalsContact O-CB 3.24Å; D1424-S1437 WeakPolarHBondContact O-CB 3.35Å |
| 1425 | S | 77.8 | Confident | 66 | Low | 26 Ų | 26 | 89.5 Ų | 89.5 | 18% | 0.182 | 47% | 0.467 | C | S | . | . | trans | -72 | 147.7 | 175.2 | 61.4 | 0 | 0 | 0 | 0 | 111.7 | P1421 K1422 H1435 | P1421-S1425 WeakPolarHBondContact CB-OG 3.46Å; K1422-S1425 PolarHBondContact N-OG 2.96Å; K1422-S1425 WeakPolarHBondContact O-CB 3.35Å; K1422-S1425 PolarHBondContact O-N 3.28Å; K1422-S1425 PolarHBondContact O-OG 2.92Å; S1425-H1435 CarbonylContact C-O 3.46Å; S1425-H1435 WeakPolarHBondContact CA-O 3.3Å; S1425-H1435 VanDerWaalsContact CB-O 3.27Å; S1425-H1435 WeakPolarHBondContact CB-O 3.4Å | ||
| 1426 | W | 86.6 | Confident | 68.2 | Low | 23 Ų | 23 | 87.1 Ų | 87.1 | 9% | 0.087 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 149.3 | -175.5 | 71.1 | -77.5 | 0 | 0 | 0 | 111.4 | C1428 Y1434 H1435 I1439 C1442 K1449 P1450 | W1426-C1428 HydrophobicContact CZ3-CB 4.29Å; W1426-Y1434 CarbonylContact O-C 3.6Å; W1426-Y1434 WeakPolarHBondContact O-CA 3.45Å; W1426-H1435 VanDerWaalsContact CD1-O 3.26Å; W1426-H1435 HydrophobicContact CD2-CB 4.4Å; W1426-H1435 HydrophobicContact CZ2-CB 4.12Å; W1426-H1435 PolarHBondContact N-O 3.47Å; W1426-H1435 PolarHBondContact O-N 3.4Å; W1426-I1439 VanDerWaalsContact CE2-O 3.25Å; W1426-I1439 VanDerWaalsContact CZ2-O 3.3Å; W1426-I1439 WeakPolarHBondContact CZ2-O 3.48Å; W1426-I1439 PolarHBondContact NE1-O 2.99Å; W1426-C1442 HydrophobicContact CH2-CB 3.84Å; W1426-C1442 HydrophobicContact CZ2-CB 4.32Å; W1426-K1449 VanDerWaalsContact CD1-CE 3.44Å; W1426-K1449 HydrophobicContact CD2-CB 4.07Å; W1426-K1449 HydrophobicContact CD2-CD 4.16Å; W1426-K1449 HydrophobicContact CD2-CG 3.64Å; W1426-K1449 HydrophobicContact CE3-CB 4.29Å; W1426-K1449 HydrophobicContact CE3-CG 4.08Å; W1426-K1449 HydrophobicContact CG-CD 3.99Å; W1426-K1449 HydrophobicContact CG-CG 3.87Å; W1426-K1449 HydrophobicContact CH2-CB 4.02Å; W1426-K1449 HydrophobicContact CZ2-CB 3.77Å; W1426-K1449 HydrophobicContact CZ2-CG 4.24Å; W1426-K1449 HydrophobicContact CZ3-CB 4.26Å; W1426-P1450 VanDerWaalsContact CE3-CD 3.43Å |
| 1427 | E | 83.6 | Confident | 70 | Confident | 70 Ų | 70 | 84 Ų | 84 | 33% | 0.327 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 131.4 | -176.9 | -166.1 | -178 | 143 | 0 | 0 | 111.1 | P1429 L1432 Y1434 | E1427-P1429 VanDerWaalsContact O-CD 3.24Å; E1427-P1429 WeakPolarHBondContact O-CD 3.42Å; E1427-L1432 WeakPolarHBondContact OE1-CB 3.42Å; E1427-L1432 WeakPolarHBondContact OE1-CD2 3.48Å; E1427-Y1434 HydrophobicContact CB-CD2 4.4Å; E1427-Y1434 HydrophobicContact CB-CE1 4.33Å; E1427-Y1434 HydrophobicContact CB-CE2 4.1Å; E1427-Y1434 HydrophobicContact CG-CD2 4.01Å; E1427-Y1434 HydrophobicContact CG-CE2 3.67Å; E1427-Y1434 VanDerWaalsContact OE2-CE2 3.25Å; E1427-Y1434 WeakPolarHBondContact OE2-CE2 3.31Å; E1427-Y1434 PolarHBondContact OE2-OH 3.12Å |
| 1428 | C | 86 | Confident | 71.7 | Confident | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 45% | 0.452 | C | S | . | . | trans | -65.7 | 115.9 | 171.5 | 168.9 | 0 | 0 | 0 | 0 | 109 | W1426 T1430 C1431 L1432 L1433 C1442 C1445 | W1426-C1428 HydrophobicContact CZ3-CB 4.29Å; C1428-T1430 PolarHBondContact O-N 3.4Å; C1428-T1430 VanDerWaalsContact SG-CB 3.54Å; C1428-T1430 PolarHBondContact SG-N 3.48Å; C1428-C1431 PolarHBondContact O-N 3.26Å; C1428-C1431 VanDerWaalsContact O-N 3.17Å; C1428-C1431 PolarHBondContact SG-N 3.23Å; C1428-C1431 VanDerWaalsContact SG-SG 3.66Å; C1428-L1432 WeakPolarHBondContact O-CA 3.39Å; C1428-L1432 PolarHBondContact O-N 2.62Å; C1428-L1433 PolarHBondContact N-O 3.27Å; C1428-C1442 HydrophobicContact CB-CB 3.65Å; C1428-C1445 WeakPolarHBondContact CB-SG 3.21Å; C1428-C1445 WeakPolarHBondContact SG-CB 3.06Å; C1428-C1445 CovalentContact SG-SG 2.07Å; C1428-C1445 PolarHBondContact SG-SG 3.34Å | ||
| 1429 | P | 79.6 | Confident | 73.1 | Confident | 54 Ų | 54 | 78.9 Ų | 78.9 | 35% | 0.351 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -1.6 | -178.5 | 30.8 | -37.3 | 0 | 0 | 0 | 113.7 | E1427 T1447 P1450 T1467 | E1427-P1429 VanDerWaalsContact O-CD 3.24Å; E1427-P1429 WeakPolarHBondContact O-CD 3.42Å; P1429-T1447 HydrophobicContact CG-CG2 4.37Å; P1429-P1450 HydrophobicContact CG-CG 4.12Å; P1429-T1467 HydrophobicContact CB-CG2 4.45Å |
| 1430 | T | 72.3 | Confident | 75.2 | Confident | 55 Ų | 55 | 74.3 Ų | 74.3 | 34% | 0.337 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -19.2 | 179.1 | -47.2 | 0 | 0 | 0 | 0 | 113.2 | C1428 C1445 T1447 F1470 | C1428-T1430 PolarHBondContact O-N 3.4Å; C1428-T1430 VanDerWaalsContact SG-CB 3.54Å; C1428-T1430 PolarHBondContact SG-N 3.48Å; T1430-C1445 HydrophobicContact CG2-CB 4.16Å; T1430-T1447 VanDerWaalsContact CB-OG1 3.3Å; T1430-T1447 WeakPolarHBondContact CB-OG1 3.4Å; T1430-T1447 WeakPolarHBondContact OG1-CG2 3.47Å; T1430-T1447 PolarHBondContact OG1-OG1 3.3Å; T1430-F1470 HydrophobicContact CG2-CD2 4.41Å; T1430-F1470 HydrophobicContact CG2-CE2 3.8Å |
| 1431 | C | 81.2 | Confident | 76.7 | Confident | 46 Ų | 46 | 74.9 Ų | 74.9 | 31% | 0.311 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.5 | 11.1 | -179.7 | 76 | 0 | 0 | 0 | 0 | 114.7 | C1428 L1433 C1445 | C1428-C1431 PolarHBondContact O-N 3.26Å; C1428-C1431 VanDerWaalsContact O-N 3.17Å; C1428-C1431 PolarHBondContact SG-N 3.23Å; C1428-C1431 VanDerWaalsContact SG-SG 3.66Å; C1431-L1433 PolarHBondContact O-N 2.98Å; C1431-C1445 HydrophobicContact CB-CB 3.93Å |
| 1432 | L | 72.9 | Confident | 78.4 | Confident | 114 Ų | 114 | 71.3 Ų | 71.3 | 60% | 0.597 | 39% | 0.387 | S | S | * | . | trans | 56.5 | 16.9 | 172.8 | -46.5 | 177.3 | 0 | 0 | 0 | 115.3 | E1427 C1428 | E1427-L1432 WeakPolarHBondContact OE1-CB 3.42Å; E1427-L1432 WeakPolarHBondContact OE1-CD2 3.48Å; C1428-L1432 WeakPolarHBondContact O-CA 3.39Å; C1428-L1432 PolarHBondContact O-N 2.62Å | ||
| 1433 | L | 76.9 | Confident | 79.2 | Confident | 88 Ų | 88 | 69.7 Ų | 69.7 | 46% | 0.461 | 39% | 0.393 | S | S | . | . | trans | -84.9 | 129.4 | 177 | -79.3 | 170.2 | 0 | 0 | 0 | 110.7 | C1428 C1431 H1435 A1444 | C1428-L1433 PolarHBondContact N-O 3.27Å; C1431-L1433 PolarHBondContact O-N 2.98Å; L1433-H1435 PolarHBondContact O-CE1 2.95Å; L1433-H1435 PolarHBondContact O-ND1 3.24Å; L1433-A1444 HydrophobicContact CD1-CB 3.54Å | ||
| 1434 | Y | 83.1 | Confident | 79.4 | Confident | 128 Ų | 128 | 64.6 Ų | 64.6 | 50% | 0.502 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 135.1 | 173.5 | -78.3 | -105 | 0 | 0 | 0 | 111.4 | P1421 W1426 E1427 | P1421-Y1434 HydrophobicContact CB-CD1 3.63Å; P1421-Y1434 HydrophobicContact CB-CE1 3.83Å; P1421-Y1434 HydrophobicContact CB-CG 4.48Å; P1421-Y1434 HydrophobicContact CG-CD1 4.2Å; P1421-Y1434 HydrophobicContact CG-CE1 3.88Å; W1426-Y1434 CarbonylContact O-C 3.6Å; W1426-Y1434 WeakPolarHBondContact O-CA 3.45Å; E1427-Y1434 HydrophobicContact CB-CD2 4.4Å; E1427-Y1434 HydrophobicContact CB-CE1 4.33Å; E1427-Y1434 HydrophobicContact CB-CE2 4.1Å; E1427-Y1434 HydrophobicContact CG-CD2 4.01Å; E1427-Y1434 HydrophobicContact CG-CE2 3.67Å; E1427-Y1434 VanDerWaalsContact OE2-CE2 3.25Å; E1427-Y1434 WeakPolarHBondContact OE2-CE2 3.31Å; E1427-Y1434 PolarHBondContact OE2-OH 3.12Å |
| 1435 | H | 81.5 | Confident | 80.1 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 8% | 0.083 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 140.3 | -178.6 | -65.8 | 77.9 | 0 | 0 | 0 | 110 | S1425 W1426 L1433 I1439 C1442 | S1425-H1435 CarbonylContact C-O 3.46Å; S1425-H1435 WeakPolarHBondContact CA-O 3.3Å; S1425-H1435 VanDerWaalsContact CB-O 3.27Å; S1425-H1435 WeakPolarHBondContact CB-O 3.4Å; W1426-H1435 VanDerWaalsContact CD1-O 3.26Å; W1426-H1435 HydrophobicContact CD2-CB 4.4Å; W1426-H1435 HydrophobicContact CZ2-CB 4.12Å; W1426-H1435 PolarHBondContact N-O 3.47Å; W1426-H1435 PolarHBondContact O-N 3.4Å; L1433-H1435 PolarHBondContact O-CE1 2.95Å; L1433-H1435 PolarHBondContact O-ND1 3.24Å; H1435-I1439 HydrophobicContact CB-CB 4.14Å; H1435-I1439 HydrophobicContact CB-CD1 4.24Å; H1435-I1439 HydrophobicContact CB-CG2 4.28Å; H1435-C1442 VanDerWaalsContact CE1-CB 3.44Å; H1435-C1442 WeakPolarHBondContact CE1-CB 3.4Å; H1435-C1442 PolarHBondContact CE1-SG 3.45Å; H1435-C1442 PolarHBondContact NE2-SG 3.2Å |
| 1436 | D | 82.6 | Confident | 80 | Confident | 69 Ų | 69 | 63.7 Ų | 63.7 | 37% | 0.369 | 38% | 0.378 | S | S | . | . | trans | -59.7 | 153.5 | 171.6 | -85.8 | -30.8 | 0 | 0 | 0 | 111.1 | K1422 S1438 I1439 | K1422-D1436 VanDerWaalsContact NZ-CG 3.29Å; K1422-D1436 IonicContact NZ-OD1 3.93Å; K1422-D1436 PolarHBondContact NZ-OD1 2.98Å; K1422-D1436 IonicContact NZ-OD2 2.76Å; K1422-D1436 PolarHBondContact NZ-OD2 3.03Å; D1436-S1438 PolarHBondContact O-N 3.35Å; D1436-I1439 PolarHBondContact O-N 3.49Å | ||
| 1437 | S | 77 | Confident | 79.5 | Confident | 59 Ų | 59 | 64.1 Ų | 64.1 | 41% | 0.413 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -26.2 | -171.4 | 66.5 | 0 | 0 | 0 | 0 | 114.9 | D1424 K1449 | D1424-S1437 VanDerWaalsContact O-CB 3.24Å; D1424-S1437 WeakPolarHBondContact O-CB 3.35Å; S1437-K1449 PolarHBondContact O-NZ 3Å |
| 1438 | S | 78.9 | Confident | 79.1 | Confident | 95 Ų | 95 | 62.6 Ų | 62.6 | 66% | 0.664 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -23.3 | 179 | 53.3 | 0 | 0 | 0 | 0 | 114.5 | D1436 T1440 | D1436-S1438 PolarHBondContact O-N 3.35Å; S1438-T1440 PolarHBondContact O-N 3.41Å |
| 1439 | I | 76.8 | Confident | 79 | Confident | 56 Ų | 56 | 65 Ų | 65 | 29% | 0.287 | 40% | 0.396 | S | S | . | . | trans | -83.1 | 106.2 | -179.8 | -60.9 | 174.1 | 0 | 0 | 0 | 107.6 | W1426 H1435 D1436 V1441 | W1426-I1439 VanDerWaalsContact CE2-O 3.25Å; W1426-I1439 VanDerWaalsContact CZ2-O 3.3Å; W1426-I1439 WeakPolarHBondContact CZ2-O 3.48Å; W1426-I1439 PolarHBondContact NE1-O 2.99Å; H1435-I1439 HydrophobicContact CB-CB 4.14Å; H1435-I1439 HydrophobicContact CB-CD1 4.24Å; H1435-I1439 HydrophobicContact CB-CG2 4.28Å; D1436-I1439 PolarHBondContact O-N 3.49Å; I1439-V1441 WeakPolarHBondContact CG2-O 3.27Å | ||
| 1440 | T | 85.3 | Confident | 78.2 | Confident | 87 Ų | 87 | 66.5 Ų | 66.5 | 53% | 0.534 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -86.6 | -9.4 | -178.4 | 53.3 | 0 | 0 | 0 | 0 | 114 | S1438 G1448 K1449 | S1438-T1440 PolarHBondContact O-N 3.41Å; T1440-G1448 CarbonylContact O-C 3.48Å; T1440-G1448 WeakPolarHBondContact O-CA 3.43Å; T1440-K1449 WeakPolarHBondContact O-CB 3.43Å; T1440-K1449 PolarHBondContact O-N 3.34Å |
| 1441 | V | 83.3 | Confident | 77.8 | Confident | 73 Ų | 73 | 67.6 Ų | 67.6 | 44% | 0.442 | 43% | 0.428 | S | S | . | . | B | Isolated β-bridge | trans | -142 | 125.6 | 177.2 | 179.7 | 0 | 0 | 0 | 0 | 107.3 | I1439 S1443 C1446 | I1439-V1441 WeakPolarHBondContact CG2-O 3.27Å; V1441-S1443 PolarHBondContact O-N 3.27Å; V1441-C1446 VanDerWaalsContact CG1-O 3.28Å; V1441-C1446 WeakPolarHBondContact CG1-O 3.19Å |
| 1442 | C | 85.5 | Confident | 76.5 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.007 | 44% | 0.439 | C | S | . | . | trans | -66.8 | 132.5 | -178.5 | 156.4 | 0 | 0 | 0 | 0 | 111.6 | W1426 C1428 H1435 A1444 C1445 C1446 T1447 | W1426-C1442 HydrophobicContact CH2-CB 3.84Å; W1426-C1442 HydrophobicContact CZ2-CB 4.32Å; C1428-C1442 HydrophobicContact CB-CB 3.65Å; H1435-C1442 VanDerWaalsContact CE1-CB 3.44Å; H1435-C1442 WeakPolarHBondContact CE1-CB 3.4Å; H1435-C1442 PolarHBondContact CE1-SG 3.45Å; H1435-C1442 PolarHBondContact NE2-SG 3.2Å; C1442-A1444 PolarHBondContact O-N 3.15Å; C1442-A1444 PolarHBondContact SG-N 2.8Å; C1442-C1445 WeakPolarHBondContact CB-SG 3.36Å; C1442-C1445 PolarHBondContact SG-N 3.05Å; C1442-C1445 PolarHBondContact SG-SG 3.06Å; C1442-C1446 WeakPolarHBondContact O-CA 3.46Å; C1442-C1446 PolarHBondContact O-N 2.88Å; C1442-T1447 PolarHBondContact N-O 3.34Å | ||
| 1443 | S | 80.5 | Confident | 74.7 | Confident | 103 Ų | 103 | 69.8 Ų | 69.8 | 72% | 0.72 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -19.5 | -175.9 | -46.9 | 0 | 0 | 0 | 0 | 114.7 | V1441 | V1441-S1443 PolarHBondContact O-N 3.27Š|
| 1444 | A | 67.4 | Low | 72.6 | Confident | 67 Ų | 67 | 69 Ų | 69 | 55% | 0.554 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -45.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1433 C1442 | L1433-A1444 HydrophobicContact CD1-CB 3.54Å; C1442-A1444 PolarHBondContact O-N 3.15Å; C1442-A1444 PolarHBondContact SG-N 2.8Å |
| 1445 | C | 83 | Confident | 70 | Confident | 31 Ų | 31 | 71.4 Ų | 71.4 | 21% | 0.209 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -13.6 | -177.8 | 66.5 | 0 | 0 | 0 | 0 | 113.3 | C1428 T1430 C1431 C1442 T1447 | C1428-C1445 WeakPolarHBondContact CB-SG 3.21Å; C1428-C1445 WeakPolarHBondContact SG-CB 3.06Å; C1428-C1445 CovalentContact SG-SG 2.07Å; C1428-C1445 PolarHBondContact SG-SG 3.34Å; T1430-C1445 HydrophobicContact CG2-CB 4.16Å; C1431-C1445 HydrophobicContact CB-CB 3.93Å; C1442-C1445 WeakPolarHBondContact CB-SG 3.36Å; C1442-C1445 PolarHBondContact SG-N 3.05Å; C1442-C1445 PolarHBondContact SG-SG 3.06Å; C1445-T1447 PolarHBondContact O-N 3.36Å; C1445-T1447 VanDerWaalsContact O-N 3.08Å; C1445-T1447 WeakPolarHBondContact SG-CB 3.36Å; C1445-T1447 PolarHBondContact SG-N 2.89Å; C1445-T1447 VanDerWaalsContact SG-N 3.38Å; C1445-T1447 PolarHBondContact SG-OG1 3.27Å |
| 1446 | C | 75.1 | Confident | 67.5 | Low | 100 Ų | 100 | 77.4 Ų | 77.4 | 68% | 0.676 | 52% | 0.515 | S | S | * | . | trans | 55.2 | 13.1 | -167.4 | -64.8 | 0 | 0 | 0 | 0 | 114.9 | V1441 C1442 | V1441-C1446 VanDerWaalsContact CG1-O 3.28Å; V1441-C1446 WeakPolarHBondContact CG1-O 3.19Å; C1442-C1446 WeakPolarHBondContact O-CA 3.46Å; C1442-C1446 PolarHBondContact O-N 2.88Å | ||
| 1447 | T | 76.8 | Confident | 64.7 | Low | 33 Ų | 33 | 79.3 Ų | 79.3 | 20% | 0.202 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 134.3 | 176 | -50.1 | 0 | 0 | 0 | 0 | 110.4 | P1429 T1430 C1442 C1445 | P1429-T1447 HydrophobicContact CG-CG2 4.37Å; T1430-T1447 VanDerWaalsContact CB-OG1 3.3Å; T1430-T1447 WeakPolarHBondContact CB-OG1 3.4Å; T1430-T1447 WeakPolarHBondContact OG1-CG2 3.47Å; T1430-T1447 PolarHBondContact OG1-OG1 3.3Å; C1442-T1447 PolarHBondContact N-O 3.34Å; C1445-T1447 PolarHBondContact O-N 3.36Å; C1445-T1447 VanDerWaalsContact O-N 3.08Å; C1445-T1447 WeakPolarHBondContact SG-CB 3.36Å; C1445-T1447 PolarHBondContact SG-N 2.89Å; C1445-T1447 VanDerWaalsContact SG-N 3.38Å; C1445-T1447 PolarHBondContact SG-OG1 3.27Å |
| 1448 | G | 74.6 | Confident | 62.2 | Low | 37 Ų | 37 | 83.7 Ų | 83.7 | 38% | 0.381 | 56% | 0.558 | S | S | . | * | B | Isolated β-bridge | trans | -66.9 | 149.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T1440 P1450 | T1440-G1448 CarbonylContact O-C 3.48Å; T1440-G1448 WeakPolarHBondContact O-CA 3.43Å; G1448-P1450 WeakPolarHBondContact O-CD 3.4Å |
| 1449 | K | 83.9 | Confident | 59.7 | Low | 51 Ų | 51 | 85.4 Ų | 85.4 | 22% | 0.222 | 56% | 0.564 | C | S | . | * | P | Polyproline II helix | trans | -60.1 | 121.3 | 176.9 | -178.3 | 173.8 | -171.8 | -173.5 | 0 | 110.6 | W1426 S1437 T1440 G1451 S1452 | W1426-K1449 VanDerWaalsContact CD1-CE 3.44Å; W1426-K1449 HydrophobicContact CD2-CB 4.07Å; W1426-K1449 HydrophobicContact CD2-CD 4.16Å; W1426-K1449 HydrophobicContact CD2-CG 3.64Å; W1426-K1449 HydrophobicContact CE3-CB 4.29Å; W1426-K1449 HydrophobicContact CE3-CG 4.08Å; W1426-K1449 HydrophobicContact CG-CD 3.99Å; W1426-K1449 HydrophobicContact CG-CG 3.87Å; W1426-K1449 HydrophobicContact CH2-CB 4.02Å; W1426-K1449 HydrophobicContact CZ2-CB 3.77Å; W1426-K1449 HydrophobicContact CZ2-CG 4.24Å; W1426-K1449 HydrophobicContact CZ3-CB 4.26Å; S1437-K1449 PolarHBondContact O-NZ 3Å; T1440-K1449 WeakPolarHBondContact O-CB 3.43Å; T1440-K1449 PolarHBondContact O-N 3.34Å; K1449-G1451 PolarHBondContact O-N 3.45Å; K1449-S1452 PolarHBondContact O-N 3.39Å; K1449-S1452 PolarHBondContact O-OG 3.08Å |
| 1450 | P | 64.1 | Low | 57.3 | Low | 85 Ų | 85 | 89.6 Ų | 89.6 | 55% | 0.552 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | 127.9 | 177.2 | -26.7 | 35.1 | 0 | 0 | 0 | 111.5 | W1426 P1429 G1448 | W1426-P1450 VanDerWaalsContact CE3-CD 3.43Å; P1429-P1450 HydrophobicContact CG-CG 4.12Å; G1448-P1450 WeakPolarHBondContact O-CD 3.4Å |
| 1451 | G | 63.7 | Low | 54.3 | Low | 78 Ų | 78 | 90.6 Ų | 90.6 | 80% | 0.804 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.6 | 8.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | K1449 S1453 | K1449-G1451 PolarHBondContact O-N 3.45Å; G1451-S1453 PolarHBondContact O-N 2.91Å; G1451-S1453 VanDerWaalsContact O-N 3.15Å |
| 1452 | S | 53.6 | Low | 51.5 | Low | 78 Ų | 78 | 97.1 Ų | 97.1 | 55% | 0.545 | 63% | 0.626 | S | S | . | * | trans | -64.4 | 112 | 168.6 | 44.5 | 0 | 0 | 0 | 0 | 110.9 | K1449 G1454 | K1449-S1452 PolarHBondContact O-N 3.39Å; K1449-S1452 PolarHBondContact O-OG 3.08Å; S1452-G1454 PolarHBondContact O-N 2.74Å | ||
| 1453 | S | 36.2 | Very low | 48.5 | Very low | 128 Ų | 128 | 100.8 Ų | 100.8 | 90% | 0.895 | 66% | 0.656 | S | S | * | * | trans | -86 | 91.5 | -164.9 | 45.4 | 0 | 0 | 0 | 0 | 113.9 | G1451 | G1451-S1453 PolarHBondContact O-N 2.91Å; G1451-S1453 VanDerWaalsContact O-N 3.15Å | ||
| 1454 | G | 32.8 | Very low | 45.8 | Very low | 71 Ų | 71 | 102.6 Ų | 102.6 | 73% | 0.732 | 66% | 0.663 | S | S | * | * | trans | -105.2 | 107.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | S1452 | S1452-G1454 PolarHBondContact O-N 2.74Š| ||
| 1455 | E | 27.9 | Very low | 43.8 | Very low | 180 Ų | 180 | 106.5 Ų | 106.5 | 84% | 0.841 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 58.1 | 93.6 | 169.4 | -59 | -167.4 | 146.2 | 0 | 0 | 119.5 | ||
| 1456 | N | 28.1 | Very low | 41 | Very low | 144 Ų | 144 | 110.4 Ų | 110.4 | 77% | 0.77 | 70% | 0.702 | S | S | * | * | trans | 83.9 | 71.9 | 136.6 | -58.8 | -20.9 | 0 | 0 | 0 | 121.9 | ||||
| 1457 | S | 23.5 | Very low | 38.6 | Very low | 109 Ų | 109 | 110.6 Ų | 110.6 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | 49 | 112.8 | 119.2 | -57.9 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1458 | T | 25.2 | Very low | 36.2 | Very low | 150 Ų | 150 | 114.9 Ų | 114.9 | 92% | 0.92 | 73% | 0.731 | S | S | * | * | -159.7 | 146.4 | 117.4 | 10.1 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1459 | V | 26.8 | Very low | 34 | Very low | 131 Ų | 131 | 118.7 Ų | 118.7 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | trans | -107.1 | 136.5 | -168 | 174 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1460 | T | 25.4 | Very low | 31.3 | Very low | 144 Ų | 144 | 124.3 Ų | 124.3 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | -159.9 | 132.8 | 135.6 | -63.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1461 | S | 23.2 | Very low | 29.4 | Very low | 109 Ų | 109 | 123.8 Ų | 123.8 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -102.3 | 130.5 | -175.7 | 42.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 1462 | K | 24.2 | Very low | 27.6 | Very low | 210 Ų | 210 | 123.1 Ų | 123.1 | 91% | 0.913 | 77% | 0.77 | S | S | * | * | trans | -162.3 | 134.8 | 130.1 | -149.2 | 169.5 | -175.8 | 178.6 | 0 | 110.3 | ||||
| 1463 | A | 22.6 | Very low | 26.3 | Very low | 78 Ų | 78 | 125.4 Ų | 125.4 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | trans | -83.1 | 143.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1464 | T | 23.9 | Very low | 25.8 | Very low | 141 Ų | 141 | 124.7 Ų | 124.7 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | trans | -149.5 | 122.1 | 132.2 | -42.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1465 | L | 24.4 | Very low | 25.5 | Very low | 149 Ų | 149 | 127.3 Ų | 127.3 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | trans | -75.5 | 135.2 | -173.7 | -76.1 | 77.6 | 0 | 0 | 0 | 110.5 | ||||
| 1466 | S | 24.8 | Very low | 25.6 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | trans | -147.1 | 108.6 | 153.1 | 42.6 | 0 | 0 | 0 | 0 | 108 | S1468 | S1466-S1468 PolarHBondContact O-N 2.79Š| ||
| 1467 | T | 24.3 | Very low | 25.7 | Very low | 104 Ų | 104 | 123.5 Ų | 123.5 | 64% | 0.638 | 75% | 0.749 | S | S | * | * | trans | -86.5 | 94.8 | -170.7 | 17.5 | 0 | 0 | 0 | 0 | 110.7 | P1429 | P1429-T1467 HydrophobicContact CB-CG2 4.45Š| ||
| 1468 | S | 27.2 | Very low | 25.9 | Very low | 122 Ų | 122 | 122.3 Ų | 122.3 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | trans | -101.5 | 86.7 | 169.8 | 68 | 0 | 0 | 0 | 0 | 111.4 | S1466 | S1466-S1468 PolarHBondContact O-N 2.79Š| ||
| 1469 | L | 28.3 | Very low | 26.1 | Very low | 118 Ų | 118 | 118.7 Ų | 118.7 | 62% | 0.618 | 75% | 0.746 | S | S | * | * | trans | -147.7 | 122 | 170.8 | -155.7 | 85.6 | 0 | 0 | 0 | 105.6 | ||||
| 1470 | F | 27.2 | Very low | 25.9 | Very low | 168 Ų | 168 | 123 Ų | 123 | 74% | 0.737 | 76% | 0.755 | S | S | * | * | cis | -119.6 | 143.6 | 27.3 | -90.6 | -102.1 | 0 | 0 | 0 | 114.3 | T1430 | T1430-F1470 HydrophobicContact CG2-CD2 4.41Å; T1430-F1470 HydrophobicContact CG2-CE2 3.8Å | ||
| 1471 | G | 24.7 | Very low | 26.1 | Very low | 75 Ų | 75 | 121.7 Ų | 121.7 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | -125.5 | 165.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1472 | G | 25.4 | Very low | 26.4 | Very low | 63 Ų | 63 | 125.8 Ų | 125.8 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | trans | 168.4 | 141.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1473 | I | 26.9 | Very low | 26.6 | Very low | 127 Ų | 127 | 119 Ų | 119 | 65% | 0.651 | 74% | 0.74 | S | S | * | * | cis | -155 | 134.9 | -10.7 | -121.7 | 153.6 | 0 | 0 | 0 | 109.1 | I1190 | I1190-I1473 VanDerWaalsContact CD1-O 3.31Å; I1190-I1473 WeakPolarHBondContact CD1-O 3.41Å | ||
| 1474 | L | 24.9 | Very low | 26.6 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 59% | 0.586 | 75% | 0.753 | S | S | * | * | trans | 37.2 | 122.4 | 159.3 | -62.9 | 159.4 | 0 | 0 | 0 | 124.5 | V1189 | V1189-L1474 VanDerWaalsContact CG1-C 3.41Å; V1189-L1474 VanDerWaalsContact CG1-O 3.29Å; V1189-L1474 WeakPolarHBondContact CG1-O 3.35Å; V1189-L1474 WeakPolarHBondContact CG2-O 3.46Å | ||
| 1475 | Q | 27.2 | Very low | 26.9 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 59% | 0.593 | 75% | 0.752 | S | S | * | * | 84 | 106.4 | 128.9 | -69.3 | 171.8 | -25.1 | 0 | 0 | 126.2 | V1189 | V1189-Q1475 WeakPolarHBondContact CG1-O 3.33Š| |||
| 1476 | N | 28.9 | Very low | 26.8 | Very low | 113 Ų | 113 | 126 Ų | 126 | 60% | 0.604 | 76% | 0.758 | S | S | * | * | 87.9 | 132 | 126 | -72 | 1.6 | 0 | 0 | 0 | 124.5 | |||||
| 1477 | S | 30.4 | Very low | 27.1 | Very low | 131 Ų | 131 | 124.1 Ų | 124.1 | 92% | 0.916 | 76% | 0.755 | S | S | * | * | trans | 75.9 | 132.3 | 164.3 | 73.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1478 | G | 27.6 | Very low | 27.8 | Very low | 84 Ų | 84 | 125 Ų | 125 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | -140.5 | 170.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1479 | G | 30.6 | Very low | 27.6 | Very low | 73 Ų | 73 | 127.8 Ų | 127.8 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | 132.3 | 84.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1480 | F | 22.1 | Very low | 27.4 | Very low | 221 Ų | 221 | 131.5 Ų | 131.5 | 97% | 0.969 | 77% | 0.774 | S | S | * | * | trans | -96.3 | 124.9 | 176.5 | -122.2 | -95.9 | 0 | 0 | 0 | 111 | ||||
| 1481 | V | 30.3 | Very low | 27.5 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | trans | -156.4 | 142.7 | -165.2 | 153.2 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 1482 | F | 28.4 | Very low | 27.3 | Very low | 196 Ų | 196 | 131.5 Ų | 131.5 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | cis | -152 | -172.1 | 0.1 | -135.5 | -127.7 | 0 | 0 | 0 | 109.2 | ||||
| 1483 | G | 27.7 | Very low | 27.2 | Very low | 66 Ų | 66 | 134.1 Ų | 134.1 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 168.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1484 | N | 23.8 | Very low | 27 | Very low | 174 Ų | 174 | 134 Ų | 134 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 146.1 | -179.5 | -124.9 | 17.9 | 0 | 0 | 0 | 112.3 | ||
| 1485 | T | 29.8 | Very low | 27 | Very low | 135 Ų | 135 | 134.1 Ų | 134.1 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 162 | -169.8 | 46.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1486 | K | 22.8 | Very low | 26.8 | Very low | 208 Ų | 208 | 132.3 Ų | 132.3 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 147.9 | 160.1 | -73.5 | -177.9 | 174.2 | -179.3 | 0 | 109.8 | ||
| 1487 | G | 30.2 | Very low | 26.7 | Very low | 72 Ų | 72 | 133.9 Ų | 133.9 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | -72.7 | 176.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1488 | P | 40.3 | Very low | 26.7 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | -143.4 | 173.1 | 78.7 | 40.2 | -24.6 | 0 | 0 | 0 | 117.4 | |||||
| 1489 | E | 22 | Very low | 26.8 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | 68.2 | 113.2 | 156.5 | -73.7 | 176.3 | 173.2 | 0 | 0 | 124.1 | ||||
| 1490 | F | 24.7 | Very low | 26.6 | Very low | 196 Ų | 196 | 139.3 Ų | 139.3 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | 57 | 143.8 | 135.4 | -101 | -89.1 | 0 | 0 | 0 | 126.5 | ||||
| 1491 | T | 28.3 | Very low | 27 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | trans | 86.6 | 96.1 | 160.8 | 57.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1492 | T | 21.7 | Very low | 27.1 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | 49.7 | 124.2 | 125.6 | 4.9 | 0 | 0 | 0 | 0 | 125.8 | |||||
| 1493 | T | 23.4 | Very low | 27.4 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | trans | 86 | 111.1 | 140.3 | 18.8 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 1494 | T | 22.1 | Very low | 27.7 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | trans | 67.6 | 128.5 | 133.5 | 42.5 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 1495 | S | 24.3 | Very low | 28.1 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | 103.1 | 110.9 | 135.5 | -62.4 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 1496 | A | 24.1 | Very low | 28.3 | Very low | 88 Ų | 88 | 131.5 Ų | 131.5 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | 64.4 | 142.8 | 127 | 0 | 0 | 0 | 0 | 0 | 128.1 | |||||
| 1497 | N | 26.8 | Very low | 28.8 | Very low | 147 Ų | 147 | 125.8 Ų | 125.8 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | 81.3 | 152.3 | 144.4 | -71 | -2.6 | 0 | 0 | 0 | 122.6 | ||||
| 1498 | I | 29.2 | Very low | 28.8 | Very low | 149 Ų | 149 | 128.7 Ų | 128.7 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | cis | -154.9 | -134.6 | -14.5 | -118.5 | 170.5 | 0 | 0 | 0 | 116.2 | ||||
| 1499 | T | 29.6 | Very low | 28.4 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 64% | 0.638 | 77% | 0.772 | S | S | * | * | trans | -107.5 | 169.6 | -159.1 | 47.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1500 | D | 28.1 | Very low | 28.6 | Very low | 148 Ų | 148 | 126.4 Ų | 126.4 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | 143.2 | 152.9 | 120.2 | -88 | -51.3 | 0 | 0 | 0 | 124.1 | |||||
| 1501 | S | 29.6 | Very low | 28.7 | Very low | 99 Ų | 99 | 122.9 Ų | 122.9 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | trans | -55.4 | 176.5 | -169.6 | 63.4 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 1502 | V | 31.8 | Very low | 28.5 | Very low | 134 Ų | 134 | 122 Ų | 122 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | 161.4 | 161.2 | 129.2 | 162.9 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 1503 | T | 34.8 | Very low | 28.6 | Very low | 120 Ų | 120 | 124 Ų | 124 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | -118 | 176.8 | -162.9 | 47.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1504 | I | 34.6 | Very low | 28.6 | Very low | 171 Ų | 171 | 123 Ų | 123 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | trans | 154.6 | 173.2 | 138.3 | -76.4 | 158.4 | 0 | 0 | 0 | 115.3 | ||||
| 1505 | A | 32 | Very low | 28.7 | Very low | 78 Ų | 78 | 125.8 Ų | 125.8 | 65% | 0.645 | 77% | 0.771 | S | S | * | * | trans | -143.2 | 176.7 | -148.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1506 | T | 33.2 | Very low | 29.3 | Very low | 143 Ų | 143 | 129.7 Ų | 129.7 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | 73 | 140.9 | 149.7 | 45.5 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 1507 | A | 33.6 | Very low | 29.9 | Very low | 88 Ų | 88 | 131 Ų | 131 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 112 | 106.4 | 136.4 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 1508 | T | 30.2 | Very low | 30 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | 48.9 | 152.7 | 128.7 | 59.6 | 0 | 0 | 0 | 0 | 128.6 | |||||
| 1509 | V | 31.9 | Very low | 29.9 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | 109.7 | 160.5 | 150.7 | -166.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1510 | T | 27.7 | Very low | 29.7 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | trans | -114.9 | 166.8 | -144.6 | 10.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1511 | T | 26.9 | Very low | 29.9 | Very low | 121 Ų | 121 | 137 Ų | 137 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | 74.9 | 117.8 | 145.9 | 44.9 | 0 | 0 | 0 | 0 | 125 | ||||
| 1512 | S | 23.2 | Very low | 29.6 | Very low | 99 Ų | 99 | 138.3 Ų | 138.3 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | 74.7 | 117.4 | 129.5 | 67.7 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 1513 | I | 23.9 | Very low | 29.3 | Very low | 169 Ų | 169 | 136 Ų | 136 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | 83.6 | 137 | 137.6 | -61.9 | 165.6 | 0 | 0 | 0 | 120.9 | ||||
| 1514 | A | 23.2 | Very low | 29.1 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | 103.1 | 145.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1515 | H | 25.1 | Very low | 28.6 | Very low | 185 Ų | 185 | 133.4 Ų | 133.4 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | -110.4 | 152.5 | -166.8 | -71.8 | -97.9 | 0 | 0 | 0 | 114.7 | ||||
| 1516 | K | 36.1 | Very low | 29.3 | Very low | 196 Ų | 196 | 135.5 Ų | 135.5 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | trans | 60.4 | 123.3 | 162.2 | -69.4 | -177.6 | 176.8 | 180 | 0 | 117.8 | ||||
| 1517 | P | 35.7 | Very low | 29 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | -132.2 | 152.6 | 95 | 11.5 | 11.2 | 0 | 0 | 0 | 112.6 | |||||
| 1518 | I | 29.7 | Very low | 28.5 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 80% | 0.795 | 80% | 0.8 | S | S | * | * | 61.1 | 106 | 72.2 | -54.5 | 173.8 | 0 | 0 | 0 | 113.8 | |||||
| 1519 | F | 26 | Very low | 28.2 | Very low | 211 Ų | 211 | 144.5 Ų | 144.5 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | trans | -146.2 | 151.6 | 161.6 | -107.4 | -85.4 | 0 | 0 | 0 | 110.6 | ||||
| 1520 | S | 25.7 | Very low | 27.7 | Very low | 94 Ų | 94 | 143 Ų | 143 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | trans | -126.8 | 167 | -166.2 | 60.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1521 | F | 32.3 | Very low | 27.6 | Very low | 215 Ų | 215 | 144.6 Ų | 144.6 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | trans | -135.4 | 155.3 | 159.3 | -126.4 | -93.2 | 0 | 0 | 0 | 110.5 | ||||
| 1522 | V | 24.1 | Very low | 27.4 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -124.7 | 138.1 | -158 | 170.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1523 | A | 24.9 | Very low | 27.4 | Very low | 84 Ų | 84 | 147.1 Ų | 147.1 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | trans | -172.8 | 130.8 | 143.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1524 | T | 30.4 | Very low | 27.9 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | 41.5 | 104.7 | 149.2 | 57 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1525 | S | 25.3 | Very low | 28.5 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | 95.4 | 141 | 51.8 | 74.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 1526 | P | 47.1 | Very low | 28.4 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -112.4 | 174 | -149.7 | 41.9 | -34.4 | 0 | 0 | 0 | 116.6 | ||||
| 1527 | K | 26.3 | Very low | 27.7 | Very low | 214 Ų | 214 | 139 Ų | 139 | 93% | 0.93 | 78% | 0.779 | S | S | * | * | trans | -129.9 | 147.5 | 159.4 | -76.7 | -174.4 | 175.8 | 178.7 | 0 | 111 | ||||
| 1528 | Q | 22.2 | Very low | 26.9 | Very low | 177 Ų | 177 | 138.4 Ų | 138.4 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | -95.9 | 156.7 | -165.3 | -59.9 | 161.3 | -79.2 | 0 | 0 | 114.6 | ||||
| 1529 | L | 24.5 | Very low | 26.5 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | -180 | 100.6 | 136.2 | -117.2 | 70.7 | 0 | 0 | 0 | 107.2 | ||||
| 1530 | T | 22.2 | Very low | 26.3 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | 51.9 | 118.1 | 85.9 | 66.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1531 | N | 25.3 | Very low | 26.4 | Very low | 151 Ų | 151 | 135 Ų | 135 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | cis | -145.6 | 143 | 39.1 | -62.1 | -42.4 | 0 | 0 | 0 | 110.6 | ||||
| 1532 | A | 22.3 | Very low | 26.2 | Very low | 75 Ų | 75 | 130.4 Ų | 130.4 | 62% | 0.62 | 76% | 0.762 | S | S | * | * | 48.9 | 132.6 | 84.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1533 | F | 24 | Very low | 26.2 | Very low | 199 Ų | 199 | 129.8 Ų | 129.8 | 87% | 0.873 | 76% | 0.758 | S | S | * | * | cis | -159.8 | 179.8 | 24.3 | -77.5 | -79.9 | 0 | 0 | 0 | 110.6 | ||||
| 1534 | P | 33.1 | Very low | 26.1 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | -131.4 | -143.1 | -50.1 | 48.7 | -30 | 0 | 0 | 0 | 111.3 | |||||
| 1535 | P | 35.7 | Very low | 25.7 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | trans | -130.7 | -148.8 | -140.8 | 36.3 | -8.6 | 0 | 0 | 0 | 115.4 | ||||
| 1536 | I | 22.6 | Very low | 25.6 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | 103.8 | 95.6 | 165.6 | -59.2 | 166.5 | 0 | 0 | 0 | 114.2 | ||||
| 1537 | S | 21.7 | Very low | 24.5 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | 79.6 | 104.1 | 93.7 | -57.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1538 | S | 20.4 | Very low | 24.7 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | 76.2 | 131.2 | 80.1 | 79.1 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1539 | S | 21.3 | Very low | 24.9 | Very low | 96 Ų | 96 | 136 Ų | 136 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | trans | 100.8 | 128.8 | 143.8 | 83.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1540 | Q | 21.7 | Very low | 24.8 | Very low | 171 Ų | 171 | 133.5 Ų | 133.5 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | trans | 83.4 | 105.5 | 136.6 | -69.8 | 162.9 | 28.6 | 0 | 0 | 122.5 | ||||
| 1541 | T | 26.9 | Very low | 25.6 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | -7 | 142.7 | 128.8 | 53.9 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1542 | P | 28 | Very low | 26.6 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | -145.5 | 142.9 | 85.7 | 34.4 | -16.3 | 0 | 0 | 0 | 114.8 | |||||
| 1543 | V | 23.7 | Very low | 26.6 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 70% | 0.697 | 77% | 0.765 | S | S | * | * | 61.5 | 104.3 | 74.1 | -173.5 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1544 | T | 24.4 | Very low | 26.7 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | trans | 178.3 | 111 | 141.6 | 32.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1545 | K | 21.2 | Very low | 26 | Very low | 185 Ų | 185 | 133.2 Ų | 133.2 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | 81.1 | 93.9 | 70.5 | -80.7 | -166.9 | 174 | -176.4 | 0 | 116.8 | |||||
| 1546 | S | 23.7 | Very low | 25.4 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | 47.5 | 130.5 | 127.4 | 60.1 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1547 | F | 24.2 | Very low | 25.3 | Very low | 209 Ų | 209 | 133.5 Ų | 133.5 | 92% | 0.917 | 76% | 0.759 | S | S | * | * | trans | -146.6 | 159.5 | 157.1 | -120.8 | -91.8 | 0 | 0 | 0 | 112.1 | ||||
| 1548 | L | 30.6 | Very low | 25.3 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | -151.6 | -173.3 | -163.9 | -125.4 | 169.5 | 0 | 0 | 0 | 113.4 | ||||
| 1549 | F | 26.4 | Very low | 25.4 | Very low | 183 Ų | 183 | 136.1 Ų | 136.1 | 80% | 0.803 | 77% | 0.771 | S | S | * | * | trans | 93.9 | 166.9 | 176.8 | -56.7 | -70 | 0 | 0 | 0 | 118.5 | ||||
| 1550 | T | 22.5 | Very low | 25.4 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 66% | 0.663 | 78% | 0.781 | S | S | * | * | -168.3 | 135.9 | -85.7 | 33.1 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1551 | S | 37.1 | Very low | 25.5 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | 64.9 | 173.8 | 161.5 | 78.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1552 | P | 46.8 | Very low | 26.4 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | cis | -145.8 | 163.6 | 6.7 | 35.3 | -11.3 | 0 | 0 | 0 | 121.8 | ||||
| 1553 | F | 23.6 | Very low | 26.1 | Very low | 194 Ų | 194 | 133.8 Ų | 133.8 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | 57.9 | 141.5 | 137.8 | -78.1 | -68.7 | 0 | 0 | 0 | 130.2 | ||||
| 1554 | T | 24.4 | Very low | 26.1 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | 86.7 | 102.6 | 138.3 | 40 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 1555 | T | 20.3 | Very low | 26.8 | Very low | 114 Ų | 114 | 135 Ų | 135 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | 28.8 | 126.4 | 120.2 | 59 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1556 | N | 22.7 | Very low | 26.8 | Very low | 158 Ų | 158 | 132.1 Ų | 132.1 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | 165.7 | 157.5 | 104.2 | -95.2 | -22.5 | 0 | 0 | 0 | 116.7 | |||||
| 1557 | S | 19.6 | Very low | 27 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -49 | 147.7 | 177.9 | 55.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 1558 | S | 22.6 | Very low | 26.9 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | 171.2 | 141.9 | 107.6 | 63.9 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1559 | V | 22.3 | Very low | 26.8 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -35 | 131.4 | 169.3 | 179.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1560 | C | 20.7 | Very low | 26.8 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 88% | 0.878 | 78% | 0.781 | S | S | * | * | -176.3 | 159.8 | 123.3 | -112.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1561 | A | 24.1 | Very low | 26.8 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -91.9 | 172.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1562 | P | 45.2 | Very low | 26.4 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -95.4 | 142.9 | -145.9 | 35.5 | -37.2 | 0 | 0 | 0 | 116.9 | ||||
| 1563 | S | 22.4 | Very low | 25.2 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -173.2 | 138.1 | 135.8 | 51.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1564 | I | 23.9 | Very low | 25.2 | Very low | 169 Ų | 169 | 128.4 Ų | 128.4 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | 167 | 146.6 | 151.4 | -91.2 | 158.5 | 0 | 0 | 0 | 108.6 | ||||
| 1565 | P | 37.9 | Very low | 25.2 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | trans | -115.1 | 166.9 | -145.1 | 40.3 | -30.8 | 0 | 0 | 0 | 116.1 | ||||
| 1566 | T | 22.6 | Very low | 25.2 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 77% | 0.767 | 79% | 0.791 | S | S | * | * | trans | 34 | 100.2 | 146.7 | -46.4 | 0 | 0 | 0 | 0 | 117.6 | S1568 | T1566-S1568 PolarHBondContact O-N 2.66Š| ||
| 1567 | F | 26.5 | Very low | 25.3 | Very low | 214 Ų | 214 | 124.4 Ų | 124.4 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | trans | -80 | 114.1 | 164.9 | -146.9 | -93.4 | 0 | 0 | 0 | 110.6 | ||||
| 1568 | S | 22.4 | Very low | 25.5 | Very low | 91 Ų | 91 | 126.9 Ų | 126.9 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | -72.7 | 156.3 | -174.2 | -49.8 | 0 | 0 | 0 | 0 | 113.9 | T1566 | T1566-S1568 PolarHBondContact O-N 2.66Š| ||
| 1569 | T | 28.2 | Very low | 25.5 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -64.3 | 152.4 | 173.1 | 51.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1570 | P | 27.6 | Very low | 25.6 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | trans | -105.6 | 99.6 | 146 | 32.8 | -23.4 | 0 | 0 | 0 | 111.4 | ||||
| 1571 | L | 23 | Very low | 25.7 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | trans | 12.9 | 129.6 | 136.1 | -163.7 | 74.7 | 0 | 0 | 0 | 119.1 | ||||
| 1572 | V | 27.5 | Very low | 25.7 | Very low | 142 Ų | 142 | 134.3 Ų | 134.3 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | -166.1 | 150.6 | 117.8 | 149.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1573 | S | 21.6 | Very low | 24.6 | Very low | 80 Ų | 80 | 133.9 Ų | 133.9 | 56% | 0.559 | 77% | 0.774 | S | S | * | * | trans | -106.9 | -177.6 | -163.3 | -41.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 1574 | N | 25.1 | Very low | 24.8 | Very low | 163 Ų | 163 | 133 Ų | 133 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | trans | 88.4 | 141.7 | 164.1 | -52.9 | -18.3 | 0 | 0 | 0 | 116.9 | ||||
| 1575 | A | 22.9 | Very low | 25.5 | Very low | 89 Ų | 89 | 130.9 Ų | 130.9 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | cis | -163.9 | 156.2 | -17.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1576 | S | 21.8 | Very low | 24.9 | Very low | 118 Ų | 118 | 131 Ų | 131 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | 57.6 | 121.4 | 150.8 | -73.1 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1577 | A | 23.5 | Very low | 25.1 | Very low | 94 Ų | 94 | 131.7 Ų | 131.7 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | 86.7 | 101.8 | 122.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1578 | N | 23.2 | Very low | 25 | Very low | 158 Ų | 158 | 124.9 Ų | 124.9 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | 91.2 | 139.5 | 125.7 | -119.8 | 9.3 | 0 | 0 | 0 | 122.7 | |||||
| 1579 | E | 23.1 | Very low | 25.1 | Very low | 134 Ų | 134 | 129 Ų | 129 | 63% | 0.626 | 78% | 0.776 | S | S | * | * | trans | 74.9 | 116.4 | 161.5 | -59.8 | -146.4 | 95.6 | 0 | 0 | 123.1 | ||||
| 1580 | K | 25.3 | Very low | 25 | Very low | 181 Ų | 181 | 128.5 Ų | 128.5 | 79% | 0.787 | 77% | 0.772 | S | S | * | * | trans | 62.3 | 96 | 140.4 | -70.9 | 167.7 | -179 | 143.4 | 0 | 119.5 | ||||
| 1581 | K | 21.8 | Very low | 24.7 | Very low | 187 Ų | 187 | 130.2 Ų | 130.2 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | -87.7 | 121.5 | 164.3 | -179.5 | 177.7 | -175.4 | 172.4 | 0 | 111.7 | V1583 | K1581-V1583 HydrophobicContact CG-CG2 4.3Š| ||
| 1582 | T | 23.9 | Very low | 24.8 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -170.8 | 86.7 | 156.4 | 5.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1583 | V | 22.7 | Very low | 24.7 | Very low | 115 Ų | 115 | 131 Ų | 131 | 70% | 0.697 | 77% | 0.768 | S | S | * | * | 76.8 | 105.2 | 82.1 | 175.9 | 0 | 0 | 0 | 0 | 113.3 | K1581 | K1581-V1583 HydrophobicContact CG-CG2 4.3Š| |||
| 1584 | A | 26 | Very low | 24.8 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | 70.3 | 155.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1585 | P | 39.1 | Very low | 24.7 | Very low | 126 Ų | 126 | 131 Ų | 131 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | cis | -127.1 | 128.9 | -18.8 | 33.5 | -16.1 | 0 | 0 | 0 | 113.4 | ||||
| 1586 | S | 26 | Very low | 24.8 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -151.5 | 118.4 | 166.7 | 63.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1587 | T | 27 | Very low | 24.8 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | 174.2 | 74.4 | 120.3 | 38.7 | 0 | 0 | 0 | 0 | 107.8 | F1589 | T1587-F1589 PolarHBondContact O-N 3.3Š| |||
| 1588 | G | 24.5 | Very low | 24.7 | Very low | 70 Ų | 70 | 134.8 Ų | 134.8 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -65.6 | 116.3 | 162 | 0 | 0 | 0 | 0 | 0 | 108.4 | T1590 | G1588-T1590 PolarHBondContact O-N 2.86Å; G1588-T1590 PolarHBondContact O-OG1 3.33Å | ||
| 1589 | F | 24.4 | Very low | 24.7 | Very low | 179 Ų | 179 | 136.9 Ų | 136.9 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -71.2 | 114.2 | -179.3 | -167.6 | -93.8 | 0 | 0 | 0 | 109.3 | T1587 F1591 | T1587-F1589 PolarHBondContact O-N 3.3Å; F1589-F1591 AromaticContact CD1-CD2 3.94Å; F1589-F1591 HydrophobicContact CD1-CD2 3.94Å; F1589-F1591 AromaticContact CD1-CE2 3.79Å; F1589-F1591 HydrophobicContact CD1-CE2 3.79Å; F1589-F1591 HydrophobicContact CE1-CD2 4.03Å; F1589-F1591 AromaticContact CE1-CE2 3.71Å; F1589-F1591 HydrophobicContact CE1-CE2 3.71Å; F1589-F1591 HydrophobicContact CE1-CZ 4.06Å | ||
| 1590 | T | 24.3 | Very low | 24.7 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | -101.7 | 117.2 | -174.1 | -53.9 | 0 | 0 | 0 | 0 | 109.6 | G1588 S1592 | G1588-T1590 PolarHBondContact O-N 2.86Å; G1588-T1590 PolarHBondContact O-OG1 3.33Å; T1590-S1592 PolarHBondContact O-N 3.11Å | ||
| 1591 | F | 22.6 | Very low | 24.6 | Very low | 161 Ų | 161 | 137 Ų | 137 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -77.8 | 106.6 | 177 | -94.1 | -93.9 | 0 | 0 | 0 | 111.2 | F1589 F1593 | F1589-F1591 AromaticContact CD1-CD2 3.94Å; F1589-F1591 HydrophobicContact CD1-CD2 3.94Å; F1589-F1591 AromaticContact CD1-CE2 3.79Å; F1589-F1591 HydrophobicContact CD1-CE2 3.79Å; F1589-F1591 HydrophobicContact CE1-CD2 4.03Å; F1589-F1591 AromaticContact CE1-CE2 3.71Å; F1589-F1591 HydrophobicContact CE1-CE2 3.71Å; F1589-F1591 HydrophobicContact CE1-CZ 4.06Å; F1591-F1593 HydrophobicContact CD1-CE2 4.22Å | ||
| 1592 | S | 25 | Very low | 24.7 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -96.2 | 106.9 | 165.1 | 46.8 | 0 | 0 | 0 | 0 | 110.4 | T1590 G1594 | T1590-S1592 PolarHBondContact O-N 3.11Å; S1592-G1594 VanDerWaalsContact C-N 3.33Å; S1592-G1594 PolarHBondContact O-N 3.35Å | ||
| 1593 | F | 24.4 | Very low | 24.6 | Very low | 191 Ų | 191 | 135.2 Ų | 135.2 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -74.1 | 85.2 | 172.8 | -95.6 | -94.7 | 0 | 0 | 0 | 110.5 | F1591 N1595 | F1591-F1593 HydrophobicContact CD1-CE2 4.22Å; F1593-N1595 PolarHBondContact O-N 2.88Å | ||
| 1594 | G | 23.8 | Very low | 24.7 | Very low | 73 Ų | 73 | 137.1 Ų | 137.1 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -70.8 | 83.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1592 A1596 | S1592-G1594 VanDerWaalsContact C-N 3.33Å; S1592-G1594 PolarHBondContact O-N 3.35Å; G1594-A1596 PolarHBondContact O-N 3.14Å; G1594-A1596 VanDerWaalsContact O-N 3.1Å | ||
| 1595 | N | 24.1 | Very low | 24.7 | Very low | 170 Ų | 170 | 140.3 Ų | 140.3 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -72.9 | 95.4 | 164.8 | -114.4 | 1.7 | 0 | 0 | 0 | 109.2 | F1593 | F1593-N1595 PolarHBondContact O-N 2.88Š| ||
| 1596 | A | 24.4 | Very low | 24.3 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -116.1 | 75.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | G1594 | G1594-A1596 PolarHBondContact O-N 3.14Å; G1594-A1596 VanDerWaalsContact O-N 3.1Å | ||
| 1597 | L | 21.4 | Very low | 24.3 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 93% | 0.927 | 79% | 0.793 | S | S | * | * | trans | -116.3 | 74.2 | 166.6 | -162.4 | 86.3 | 0 | 0 | 0 | 110.3 | ||||
| 1598 | S | 22.4 | Very low | 24.1 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -155.1 | 132.7 | 160.4 | 74.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1599 | K | 22.8 | Very low | 24.1 | Very low | 201 Ų | 201 | 140.8 Ų | 140.8 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | 68.7 | 120.7 | -164.6 | -50.2 | 177.6 | -178.3 | -179.5 | 0 | 110.8 | ||||
| 1600 | L | 23.5 | Very low | 24.1 | Very low | 170 Ų | 170 | 139 Ų | 139 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | cis | -111.9 | 147 | 43.6 | -74.7 | 157 | 0 | 0 | 0 | 116.2 | ||||
| 1601 | N | 23.1 | Very low | 24 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -118.5 | 161.2 | 141 | -149.2 | 5.7 | 0 | 0 | 0 | 106.1 | ||||
| 1602 | E | 22.6 | Very low | 24 | Very low | 162 Ų | 162 | 140 Ų | 140 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | trans | 87.6 | 104.3 | 173.3 | -57.6 | -169 | 157.5 | 0 | 0 | 121 | ||||
| 1603 | T | 23 | Very low | 23.9 | Very low | 121 Ų | 121 | 141 Ų | 141 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | 85.4 | 131.2 | 132.2 | 62.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1604 | N | 23.8 | Very low | 24.1 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | 82 | 125.2 | 154.8 | -60.5 | -24.1 | 0 | 0 | 0 | 121 | ||||
| 1605 | N | 26.4 | Very low | 23.9 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -47.4 | 149.5 | 160.1 | -87.2 | -26.2 | 0 | 0 | 0 | 111.8 | ||||
| 1606 | P | 30.8 | Very low | 24 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | -146.8 | 160.5 | 52.3 | 40.9 | -22.1 | 0 | 0 | 0 | 119.1 | |||||
| 1607 | S | 25.4 | Very low | 23.9 | Very low | 93 Ų | 93 | 141.4 Ų | 141.4 | 65% | 0.65 | 80% | 0.798 | S | S | * | * | trans | 45.4 | 106.8 | 148.6 | 59.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1608 | T | 24.4 | Very low | 24 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 14.6 | 113.6 | 141.3 | 37.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1609 | V | 24.4 | Very low | 24 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | trans | -129.7 | 112.7 | 147 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1610 | N | 23 | Very low | 24 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | -76.4 | 121.4 | 173.5 | -73.5 | -23.7 | 0 | 0 | 0 | 109.7 | S1612 | N1610-S1612 PolarHBondContact O-N 3.27Š| ||
| 1611 | F | 23.2 | Very low | 24.2 | Very low | 205 Ų | 205 | 136.4 Ų | 136.4 | 90% | 0.899 | 78% | 0.778 | S | S | * | * | trans | -89.7 | 93.6 | 163.4 | -102.7 | -89.2 | 0 | 0 | 0 | 109.7 | ||||
| 1612 | S | 22.9 | Very low | 24.4 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -76.8 | 141.2 | 166.7 | -58.3 | 0 | 0 | 0 | 0 | 110.3 | N1610 | N1610-S1612 PolarHBondContact O-N 3.27Š| ||
| 1613 | T | 22.1 | Very low | 24.8 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -54.9 | 130.6 | 158.7 | 21.5 | 0 | 0 | 0 | 0 | 109.8 | T1615 | T1613-T1615 PolarHBondContact O-N 2.85Š| ||
| 1614 | P | 28.1 | Very low | 25.1 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -74.7 | 113.6 | -175 | 28.9 | -33.6 | 0 | 0 | 0 | 111.1 | ||||
| 1615 | T | 20.4 | Very low | 25.4 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | -66.9 | 141.3 | 167.2 | 43.8 | 0 | 0 | 0 | 0 | 110.8 | T1613 | T1613-T1615 PolarHBondContact O-N 2.85Š| ||
| 1616 | L | 26.2 | Very low | 25.6 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -46.2 | 146 | -172.7 | -68.5 | 89.2 | 0 | 0 | 0 | 115.2 | ||||
| 1617 | S | 23 | Very low | 25.7 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -154.8 | 54.1 | 151.2 | 71.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1618 | S | 22.6 | Very low | 25.9 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 175.5 | 101.7 | 144.4 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1619 | S | 21.4 | Very low | 26.3 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | trans | 18.3 | 125.8 | 141.4 | 56.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1620 | H | 24 | Very low | 26.7 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 59.4 | 108.8 | 144.6 | -61.4 | -62.5 | 0 | 0 | 0 | 119.9 | ||||
| 1621 | H | 27.7 | Very low | 27.2 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | -159.4 | 154.1 | 93.3 | -108 | -77.9 | 0 | 0 | 0 | 112 | |||||
| 1622 | N | 27.3 | Very low | 27.8 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 65% | 0.647 | 78% | 0.784 | S | S | * | * | trans | -74.5 | 168.7 | -178.9 | -43 | -23.9 | 0 | 0 | 0 | 110.3 | ||||
| 1623 | D | 29.9 | Very low | 28.3 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | cis | -159 | 128.6 | 47.3 | -79.3 | -50.8 | 0 | 0 | 0 | 110.5 | ||||
| 1624 | D | 30 | Very low | 29.3 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 91% | 0.914 | 75% | 0.752 | S | S | * | * | trans | -149.4 | 87.6 | 158.8 | -101.4 | -31.9 | 0 | 0 | 0 | 105.3 | ||||
| 1625 | N | 30.5 | Very low | 29.7 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | trans | -147.6 | 41.1 | -173.6 | -142 | 30.2 | 0 | 0 | 0 | 111.1 | ||||
| 1626 | D | 30.4 | Very low | 31 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | trans | -100.6 | 80.3 | 168.3 | -81.3 | -18.3 | 0 | 0 | 0 | 108.5 | ||||
| 1627 | D | 32.4 | Very low | 31.9 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 83% | 0.834 | 71% | 0.713 | S | S | * | * | trans | -130.8 | 99.3 | 163.5 | -122.3 | -17.7 | 0 | 0 | 0 | 107.2 | K1629 | D1627-K1629 PolarHBondContact O-N 3.09Š| ||
| 1628 | D | 30.6 | Very low | 32.6 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 61% | 0.61 | 69% | 0.692 | S | S | * | * | trans | -62.3 | 94.8 | -180 | -79.4 | -49.5 | 0 | 0 | 0 | 110.2 | F684 V1630 | F684-D1628 WeakPolarHBondContact CE1-OD1 3.43Å; F684-D1628 VanDerWaalsContact CZ-OD1 3.31Å; F684-D1628 WeakPolarHBondContact CZ-OD1 3.15Å; D1628-V1630 VanDerWaalsContact C-N 3.27Å; D1628-V1630 PolarHBondContact O-N 2.91Å | ||
| 1629 | K | 32.2 | Very low | 33.2 | Very low | 185 Ų | 185 | 131.5 Ų | 131.5 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | trans | -63.9 | 92.2 | 166.4 | -80.2 | -169.6 | 175.6 | -174.3 | 0 | 109.1 | D1627 E1631 | D1627-K1629 PolarHBondContact O-N 3.09Å; K1629-E1631 PolarHBondContact O-N 3.28Å; K1629-E1631 VanDerWaalsContact O-N 3.17Å | ||
| 1630 | V | 31.7 | Very low | 33.8 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 74% | 0.739 | 69% | 0.694 | S | S | * | * | trans | -49.1 | 119.4 | 158.5 | 179.8 | 0 | 0 | 0 | 0 | 107.5 | D1628 L1632 | D1628-V1630 VanDerWaalsContact C-N 3.27Å; D1628-V1630 PolarHBondContact O-N 2.91Å; V1630-L1632 PolarHBondContact O-N 3.2Å | ||
| 1631 | E | 34.4 | Very low | 34.6 | Very low | 178 Ų | 178 | 136.3 Ų | 136.3 | 83% | 0.832 | 70% | 0.696 | S | S | * | * | trans | -61.6 | 102.1 | 168.7 | -75.7 | -174.1 | 134.9 | 0 | 0 | 108.1 | K1629 L1633 | K1629-E1631 PolarHBondContact O-N 3.28Å; K1629-E1631 VanDerWaalsContact O-N 3.17Å; E1631-L1633 PolarHBondContact O-N 3.31Å | ||
| 1632 | L | 36 | Very low | 35 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 86% | 0.859 | 69% | 0.69 | S | S | * | * | trans | -64.3 | 103.1 | 164.5 | -75.9 | 165.9 | 0 | 0 | 0 | 106.7 | V1630 D1634 | V1630-L1632 PolarHBondContact O-N 3.2Å; L1632-D1634 PolarHBondContact O-N 3.38Å; L1632-D1634 VanDerWaalsContact O-N 3.07Å | ||
| 1633 | L | 33.7 | Very low | 36 | Very low | 117 Ų | 117 | 134 Ų | 134 | 61% | 0.613 | 70% | 0.701 | S | S | * | * | trans | -58.8 | 112 | 172.2 | -77.1 | 166.6 | 0 | 0 | 0 | 108.1 | K702 E1631 D1635 | K702-L1633 HydrophobicContact CB-CD1 4.41Å; K702-L1633 HydrophobicContact CD-CD1 4.23Å; E1631-L1633 PolarHBondContact O-N 3.31Å; L1633-D1635 PolarHBondContact O-N 3.04Å | ||
| 1634 | D | 42.1 | Very low | 36.1 | Very low | 37 Ų | 37 | 132.6 Ų | 132.6 | 20% | 0.198 | 69% | 0.692 | C | S | . | * | trans | -69.7 | 122.7 | -177.1 | -173.8 | 53.5 | 0 | 0 | 0 | 110.9 | K68 H99 L1632 S1636 K1637 | K68-D1634 IonicContact NZ-OD1 2.79Å; K68-D1634 PolarHBondContact NZ-OD1 3.01Å; H99-D1634 IonicContact CE1-OD2 2.73Å; H99-D1634 PolarHBondContact CE1-OD2 2.91Å; L1632-D1634 PolarHBondContact O-N 3.38Å; L1632-D1634 VanDerWaalsContact O-N 3.07Å; D1634-S1636 PolarHBondContact O-N 3.47Å; D1634-S1636 PolarHBondContact OD1-OG 3.18Å; D1634-S1636 VanDerWaalsContact OD2-CB 3.29Å; D1634-S1636 WeakPolarHBondContact OD2-CB 3.42Å; D1634-S1636 PolarHBondContact OD2-OG 3.11Å; D1634-K1637 WeakPolarHBondContact O-CB 3.31Å; D1634-K1637 PolarHBondContact O-N 3.18Å | ||
| 1635 | D | 37.6 | Very low | 37 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 69% | 0.69 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -65.8 | -25 | -172.3 | -75.6 | -45.5 | 0 | 0 | 0 | 112.5 | L1633 K1637 L1638 | L1633-D1635 PolarHBondContact O-N 3.04Å; D1635-K1637 PolarHBondContact O-N 3.41Å; D1635-K1637 VanDerWaalsContact O-N 3.09Å; D1635-L1638 HydrophobicContact CB-CD1 4.38Å; D1635-L1638 WeakPolarHBondContact O-CB 3.13Å; D1635-L1638 WeakPolarHBondContact O-CD1 3.38Å; D1635-L1638 PolarHBondContact O-N 3.49Å |
| 1636 | S | 46.6 | Very low | 37.2 | Very low | 56 Ų | 56 | 129.1 Ų | 129.1 | 39% | 0.392 | 67% | 0.67 | S | S | . | * | G | 310 helix | trans | -56.2 | -23.1 | 170.8 | -10.5 | 0 | 0 | 0 | 0 | 113.1 | D1634 L1638 | D1634-S1636 PolarHBondContact O-N 3.47Å; D1634-S1636 PolarHBondContact OD1-OG 3.18Å; D1634-S1636 VanDerWaalsContact OD2-CB 3.29Å; D1634-S1636 WeakPolarHBondContact OD2-CB 3.42Å; D1634-S1636 PolarHBondContact OD2-OG 3.11Å; S1636-L1638 VanDerWaalsContact C-N 3.32Å; S1636-L1638 PolarHBondContact O-N 3.24Å |
| 1637 | K | 45.2 | Very low | 37.7 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 60% | 0.6 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -86.5 | 5.1 | 176.8 | -152.3 | 164.9 | -172.4 | 167.1 | 0 | 113.8 | D1634 D1635 T1639 | D1634-K1637 WeakPolarHBondContact O-CB 3.31Å; D1634-K1637 PolarHBondContact O-N 3.18Å; D1635-K1637 PolarHBondContact O-N 3.41Å; D1635-K1637 VanDerWaalsContact O-N 3.09Å; K1637-T1639 VanDerWaalsContact C-N 3.25Å; K1637-T1639 PolarHBondContact O-N 3.15Å; K1637-T1639 VanDerWaalsContact O-N 3.1Å |
| 1638 | L | 38.7 | Very low | 37.8 | Very low | 70 Ų | 70 | 127 Ų | 127 | 37% | 0.366 | 66% | 0.661 | S | S | . | * | trans | -81.9 | 65.6 | 168 | -78.1 | 94.7 | 0 | 0 | 0 | 112 | D1635 S1636 F1640 | D1635-L1638 HydrophobicContact CB-CD1 4.38Å; D1635-L1638 WeakPolarHBondContact O-CB 3.13Å; D1635-L1638 WeakPolarHBondContact O-CD1 3.38Å; D1635-L1638 PolarHBondContact O-N 3.49Å; S1636-L1638 VanDerWaalsContact C-N 3.32Å; S1636-L1638 PolarHBondContact O-N 3.24Å; L1638-F1640 VanDerWaalsContact C-N 3.34Å; L1638-F1640 HydrophobicContact CB-CD2 4.23Å; L1638-F1640 HydrophobicContact CB-CE2 3.75Å; L1638-F1640 HydrophobicContact CB-CZ 4.18Å; L1638-F1640 HydrophobicContact CD2-CE1 4.13Å; L1638-F1640 HydrophobicContact CD2-CE2 3.96Å; L1638-F1640 HydrophobicContact CD2-CZ 3.5Å; L1638-F1640 HydrophobicContact CG-CZ 4.48Å; L1638-F1640 WeakPolarHBondContact O-CD2 3.37Å; L1638-F1640 PolarHBondContact O-N 2.99Å | ||
| 1639 | T | 33.9 | Very low | 38 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 69% | 0.693 | 67% | 0.672 | S | S | * | * | trans | -65 | 95.9 | 157.2 | 44.2 | 0 | 0 | 0 | 0 | 109.7 | K1637 K1641 | K1637-T1639 VanDerWaalsContact C-N 3.25Å; K1637-T1639 PolarHBondContact O-N 3.15Å; K1637-T1639 VanDerWaalsContact O-N 3.1Å; T1639-K1641 PolarHBondContact O-N 2.86Å | ||
| 1640 | F | 35.2 | Very low | 38.2 | Very low | 176 Ų | 176 | 131.2 Ų | 131.2 | 77% | 0.772 | 68% | 0.676 | S | S | * | * | trans | -68.9 | 95.7 | 173.1 | -70.3 | -86.3 | 0 | 0 | 0 | 110.5 | L1638 | L1638-F1640 VanDerWaalsContact C-N 3.34Å; L1638-F1640 HydrophobicContact CB-CD2 4.23Å; L1638-F1640 HydrophobicContact CB-CE2 3.75Å; L1638-F1640 HydrophobicContact CB-CZ 4.18Å; L1638-F1640 HydrophobicContact CD2-CE1 4.13Å; L1638-F1640 HydrophobicContact CD2-CE2 3.96Å; L1638-F1640 HydrophobicContact CD2-CZ 3.5Å; L1638-F1640 HydrophobicContact CG-CZ 4.48Å; L1638-F1640 WeakPolarHBondContact O-CD2 3.37Å; L1638-F1640 PolarHBondContact O-N 2.99Å | ||
| 1641 | K | 40.5 | Very low | 38.5 | Very low | 182 Ų | 182 | 132.2 Ų | 132.2 | 79% | 0.791 | 68% | 0.676 | S | S | * | * | trans | -69.9 | 125.5 | 163.1 | -71.5 | -169.8 | 174.8 | -171.1 | 0 | 108.8 | T1639 V1643 | T1639-K1641 PolarHBondContact O-N 2.86Å; K1641-V1643 PolarHBondContact O-N 3.18Å | ||
| 1642 | P | 35.2 | Very low | 38.5 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 71% | 0.714 | 67% | 0.67 | S | S | * | * | trans | -63.3 | 126.1 | 177.8 | 24.9 | -32.5 | 0 | 0 | 0 | 110.1 | L1644 | P1642-L1644 PolarHBondContact O-N 3.45Å; P1642-L1644 VanDerWaalsContact O-N 3.12Å | ||
| 1643 | V | 48.8 | Very low | 39.1 | Very low | 145 Ų | 145 | 129.3 Ų | 129.3 | 88% | 0.879 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -71.4 | -5.5 | -171.3 | 174.3 | 0 | 0 | 0 | 0 | 113.4 | K1641 | K1641-V1643 PolarHBondContact O-N 3.18Š|
| 1644 | L | 32.7 | Very low | 39.7 | Very low | 111 Ų | 111 | 128 Ų | 128 | 58% | 0.581 | 66% | 0.661 | S | S | * | * | trans | -121.7 | 93.3 | 179.4 | -68.5 | 168.9 | 0 | 0 | 0 | 110 | P1642 V1646 | P1642-L1644 PolarHBondContact O-N 3.45Å; P1642-L1644 VanDerWaalsContact O-N 3.12Å; L1644-V1646 PolarHBondContact O-N 2.89Å | ||
| 1645 | E | 48.5 | Very low | 41 | Very low | 191 Ų | 191 | 129.4 Ų | 129.4 | 89% | 0.893 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -69 | -13.3 | 172.3 | -69.8 | -176.6 | 152.4 | 0 | 0 | 112.9 | ||
| 1646 | V | 35.7 | Very low | 42.5 | Very low | 62 Ų | 62 | 125.5 Ų | 125.5 | 38% | 0.376 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -127.9 | 111 | 174 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | C245 L1644 P1648 | C245-V1646 HydrophobicContact CB-CG1 3.91Å; L1644-V1646 PolarHBondContact O-N 2.89Å; V1646-P1648 WeakPolarHBondContact O-CD 3.49Å |
| 1647 | M | 39.3 | Very low | 43.8 | Very low | 168 Ų | 168 | 123.9 Ų | 123.9 | 83% | 0.828 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 122.2 | 167.3 | -78.3 | -94.2 | -77.6 | 0 | 0 | 108.9 | ||
| 1648 | P | 34.6 | Very low | 45.3 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 65% | 0.649 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 147.9 | 171.1 | 25.8 | -32.7 | 0 | 0 | 0 | 109.9 | V1646 K1650 | V1646-P1648 WeakPolarHBondContact O-CD 3.49Å; P1648-K1650 PolarHBondContact O-N 3.48Å |
| 1649 | Q | 35.2 | Very low | 46.9 | Very low | 182 Ų | 182 | 123.7 Ų | 123.7 | 85% | 0.85 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 138.8 | -177.9 | -71.8 | -177.7 | -14 | 0 | 0 | 110.9 | I1651 | Q1649-I1651 PolarHBondContact O-N 3.08Š|
| 1650 | K | 36 | Very low | 49.4 | Very low | 204 Ų | 204 | 119.5 Ų | 119.5 | 89% | 0.887 | 62% | 0.623 | S | S | * | * | trans | -57 | 99.8 | -178.5 | -177.7 | -173.3 | 178.4 | -172.2 | 0 | 110 | P1648 K1652 | P1648-K1650 PolarHBondContact O-N 3.48Å; K1650-K1652 PolarHBondContact O-N 3.06Å; K1650-K1652 VanDerWaalsContact O-N 3.16Å | ||
| 1651 | I | 38.5 | Very low | 51.8 | Low | 143 Ų | 143 | 114.3 Ų | 114.3 | 73% | 0.733 | 60% | 0.603 | S | S | * | * | trans | -54.9 | 122.7 | 174.4 | -61.4 | 173.6 | 0 | 0 | 0 | 107.4 | Q1649 V1653 | Q1649-I1651 PolarHBondContact O-N 3.08Å; I1651-V1653 PolarHBondContact O-N 3.5Å | ||
| 1652 | K | 35.5 | Very low | 54.2 | Low | 161 Ų | 161 | 109.5 Ų | 109.5 | 70% | 0.7 | 59% | 0.589 | S | S | * | * | trans | -68.5 | 100.3 | 174 | -170.2 | -171.7 | 178.3 | -159.9 | 0 | 106.8 | K1650 V1654 | K1650-K1652 PolarHBondContact O-N 3.06Å; K1650-K1652 VanDerWaalsContact O-N 3.16Å; K1652-V1654 VanDerWaalsContact C-N 3.33Å; K1652-V1654 PolarHBondContact O-N 3.23Å | ||
| 1653 | V | 46.8 | Very low | 56.8 | Low | 121 Ų | 121 | 106.8 Ų | 106.8 | 73% | 0.733 | 57% | 0.568 | S | S | * | * | trans | -68.5 | 92.5 | -179.1 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | I1651 | I1651-V1653 PolarHBondContact O-N 3.5Š| ||
| 1654 | V | 46.8 | Very low | 59 | Low | 90 Ų | 90 | 100 Ų | 100 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | trans | -75.8 | 121 | 172.9 | 173.7 | 0 | 0 | 0 | 0 | 108.2 | K1652 G1656 E1658 | K1652-V1654 VanDerWaalsContact C-N 3.33Å; K1652-V1654 PolarHBondContact O-N 3.23Å; V1654-G1656 VanDerWaalsContact C-N 3.26Å; V1654-G1656 PolarHBondContact O-N 3.44Å; V1654-E1658 VanDerWaalsContact CA-OE1 3.28Å; V1654-E1658 WeakPolarHBondContact CA-OE1 3.49Å | ||
| 1655 | T | 70.6 | Confident | 62 | Low | 65 Ų | 65 | 97.4 Ų | 97.4 | 40% | 0.399 | 52% | 0.517 | S | S | . | . | trans | -77 | -13.8 | -172.6 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | E1657 R1702 | T1655-E1657 PolarHBondContact O-N 3.44Å; T1655-E1657 PolarHBondContact OG1-N 2.89Å; T1655-R1702 PolarHBondContact O-NH2 2.89Å | ||
| 1656 | G | 69.2 | Low | 64.2 | Low | 48 Ų | 48 | 90.5 Ų | 90.5 | 50% | 0.495 | 49% | 0.485 | S | S | . | . | S | Bend | trans | 74.9 | 5.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1654 R1698 | V1654-G1656 VanDerWaalsContact C-N 3.26Å; V1654-G1656 PolarHBondContact O-N 3.44Å; G1656-R1698 PolarHBondContact O-NH2 3.24Å |
| 1657 | E | 73.6 | Confident | 67 | Low | 21 Ų | 21 | 93.6 Ų | 93.6 | 10% | 0.098 | 49% | 0.49 | C | S | . | . | trans | -105.9 | 0.4 | 178.4 | -60 | 170.3 | -141.5 | 0 | 0 | 112.1 | T1655 N1659 D1660 K1687 L1689 R1702 | T1655-E1657 PolarHBondContact O-N 3.44Å; T1655-E1657 PolarHBondContact OG1-N 2.89Å; E1657-N1659 VanDerWaalsContact C-N 3.31Å; E1657-N1659 PolarHBondContact O-N 3.31Å; E1657-D1660 PolarHBondContact O-N 3.01Å; E1657-K1687 IonicContact OE2-NZ 3.26Å; E1657-K1687 PolarHBondContact OE2-NZ 3.26Å; E1657-L1689 HydrophobicContact CB-CD1 4.1Å; E1657-L1689 HydrophobicContact CG-CD1 3.73Å; E1657-R1702 IonicContact OE1-CZ 3.86Å; E1657-R1702 IonicContact OE1-NE 3.56Å; E1657-R1702 PolarHBondContact OE1-NE 3Å; E1657-R1702 IonicContact OE1-NH2 3.76Å; E1657-R1702 PolarHBondContact OE1-NH2 3.39Å | ||
| 1658 | E | 75.1 | Confident | 69.7 | Low | 104 Ų | 104 | 85.8 Ų | 85.8 | 49% | 0.486 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -17.6 | -169.3 | -66.7 | -179.9 | -145.9 | 0 | 0 | 114.9 | V1654 | V1654-E1658 VanDerWaalsContact CA-OE1 3.28Å; V1654-E1658 WeakPolarHBondContact CA-OE1 3.49Å |
| 1659 | N | 74.2 | Confident | 72.6 | Confident | 101 Ų | 101 | 83.9 Ų | 83.9 | 54% | 0.54 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 11.2 | 178.5 | -65.8 | -15 | 0 | 0 | 0 | 113.1 | E1657 T1692 | E1657-N1659 VanDerWaalsContact C-N 3.31Å; E1657-N1659 PolarHBondContact O-N 3.31Å; N1659-T1692 WeakPolarHBondContact O-CB 3.43Å; N1659-T1692 WeakPolarHBondContact O-CG2 3.44Å; N1659-T1692 PolarHBondContact O-N 3.06Å; N1659-T1692 PolarHBondContact O-OG1 3.48Å |
| 1660 | D | 85.5 | Confident | 75.6 | Confident | 24 Ų | 24 | 75.2 Ų | 75.2 | 13% | 0.128 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 134 | -178.4 | -56.6 | -17.2 | 0 | 0 | 0 | 112.3 | E1657 L1689 R1690 S1691 R1698 | E1657-D1660 PolarHBondContact O-N 3.01Å; D1660-L1689 HydrophobicContact CB-CB 3.81Å; D1660-R1690 CarbonylContact C-O 3.59Å; D1660-R1690 VanDerWaalsContact CA-O 3.27Å; D1660-R1690 WeakPolarHBondContact CA-O 3.46Å; D1660-S1691 VanDerWaalsContact OD1-CA 3.24Å; D1660-S1691 WeakPolarHBondContact OD1-CA 3.42Å; D1660-R1698 IonicContact OD2-CZ 3.29Å; D1660-R1698 IonicContact OD2-NE 3.54Å; D1660-R1698 PolarHBondContact OD2-NE 3.29Å; D1660-R1698 IonicContact OD2-NH2 3.03Å; D1660-R1698 PolarHBondContact OD2-NH2 3.41Å |
| 1661 | D | 85.9 | Confident | 78.4 | Confident | 67 Ų | 67 | 67.5 Ų | 67.5 | 36% | 0.358 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 134 | 170.4 | -62.5 | -27 | 0 | 0 | 0 | 110.6 | I1663 L1689 R1690 T1692 | D1661-I1663 PolarHBondContact O-N 3.35Å; D1661-L1689 CarbonylContact O-C 3.57Å; D1661-L1689 VanDerWaalsContact O-CA 3.32Å; D1661-L1689 WeakPolarHBondContact O-CA 3.47Å; D1661-R1690 HydrophobicContact CB-CB 4.45Å; D1661-R1690 PolarHBondContact N-O 2.99Å; D1661-R1690 PolarHBondContact O-N 3.1Å; D1661-R1690 IonicContact OD2-CZ 3.08Å; D1661-R1690 IonicContact OD2-NE 2.69Å; D1661-R1690 PolarHBondContact OD2-NE 3.16Å; D1661-R1690 IonicContact OD2-NH2 3.3Å; D1661-R1690 PolarHBondContact OD2-NH2 2.9Å; D1661-T1692 WeakPolarHBondContact OD1-CG2 3.25Å |
| 1662 | V | 89.9 | Confident | 81 | Confident | 82 Ų | 82 | 62.7 Ų | 62.7 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 104.5 | 171.3 | -174.1 | 0 | 0 | 0 | 0 | 109.5 | F1664 C1665 L1689 | V1662-F1664 WeakPolarHBondContact CG1-O 3.35Å; V1662-C1665 HydrophobicContact CG1-CB 3.73Å; V1662-L1689 HydrophobicContact CB-CD2 4.26Å; V1662-L1689 HydrophobicContact CG1-CD2 4.43Å; V1662-L1689 HydrophobicContact CG2-CD2 3.73Å |
| 1663 | I | 90.4 | Very high | 83.6 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 27% | 0.267 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -38.9 | 175.8 | -56.4 | -175.6 | 0 | 0 | 0 | 110.9 | D1661 L1688 R1690 I1697 L1782 | D1661-I1663 PolarHBondContact O-N 3.35Å; I1663-L1688 PolarHBondContact N-O 3.3Å; I1663-R1690 HydrophobicContact CD1-CB 3.52Å; I1663-R1690 HydrophobicContact CD1-CG 4.3Å; I1663-R1690 HydrophobicContact CG1-CB 4.01Å; I1663-I1697 HydrophobicContact CD1-CD1 3.99Å; I1663-I1697 HydrophobicContact CD1-CG1 4.45Å; I1663-L1782 HydrophobicContact CG2-CD1 4.16Å; I1663-L1782 HydrophobicContact CG2-CD2 3.85Å; I1663-L1782 HydrophobicContact CG2-CG 4.47Å |
| 1664 | F | 94.9 | Very high | 85.1 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 1% | 0.013 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 141.8 | 178.7 | -178.9 | -101.5 | 0 | 0 | 0 | 109.6 | V1662 Q1666 L1686 K1687 L1688 F1770 E1778 F1779 L1782 | V1662-F1664 WeakPolarHBondContact CG1-O 3.35Å; F1664-Q1666 HydrophobicContact CD2-CG 4.21Å; F1664-Q1666 HydrophobicContact CE1-CB 3.81Å; F1664-Q1666 HydrophobicContact CE1-CG 4.02Å; F1664-Q1666 HydrophobicContact CE2-CB 4.09Å; F1664-Q1666 HydrophobicContact CE2-CG 3.39Å; F1664-Q1666 HydrophobicContact CZ-CB 3.42Å; F1664-Q1666 VanDerWaalsContact CZ-CB 3.42Å; F1664-Q1666 HydrophobicContact CZ-CG 3.28Å; F1664-L1686 HydrophobicContact CD1-CD2 4.2Å; F1664-L1686 HydrophobicContact CE1-CD2 4.09Å; F1664-K1687 CarbonylContact O-C 3.5Å; F1664-K1687 WeakPolarHBondContact O-CA 3.2Å; F1664-L1688 HydrophobicContact CB-CB 3.81Å; F1664-L1688 HydrophobicContact CB-CD1 4.11Å; F1664-L1688 HydrophobicContact CB-CG 3.88Å; F1664-L1688 HydrophobicContact CD1-CG 4.35Å; F1664-L1688 HydrophobicContact CG-CG 4.47Å; F1664-L1688 PolarHBondContact N-O 3.13Å; F1664-L1688 PolarHBondContact O-N 3.01Å; F1664-F1770 AromaticContact CE1-CE1 3.74Å; F1664-F1770 HydrophobicContact CE1-CE1 3.74Å; F1664-F1770 AromaticContact CE1-CZ 3.96Å; F1664-F1770 HydrophobicContact CE1-CZ 3.96Å; F1664-F1770 HydrophobicContact CZ-CD1 4.45Å; F1664-F1770 AromaticContact CZ-CE1 3.66Å; F1664-F1770 HydrophobicContact CZ-CE1 3.66Å; F1664-F1770 HydrophobicContact CZ-CZ 4.02Å; F1664-E1778 HydrophobicContact CD2-CG 3.88Å; F1664-E1778 HydrophobicContact CE2-CB 4.1Å; F1664-E1778 HydrophobicContact CE2-CG 3.79Å; F1664-E1778 WeakPolarHBondContact CE2-OE2 2.9Å; F1664-F1779 AromaticContact CD1-CD2 3.84Å; F1664-F1779 HydrophobicContact CD1-CD2 3.84Å; F1664-F1779 HydrophobicContact CE1-CB 3.91Å; F1664-F1779 AromaticContact CE1-CD2 3.6Å; F1664-F1779 HydrophobicContact CE1-CD2 3.6Å; F1664-F1779 HydrophobicContact CE1-CG 4.14Å; F1664-F1779 HydrophobicContact CE2-CB 3.9Å; F1664-F1779 HydrophobicContact CZ-CB 3.49Å; F1664-F1779 VanDerWaalsContact CZ-CB 3.49Å; F1664-F1779 HydrophobicContact CZ-CD2 4.11Å; F1664-F1779 HydrophobicContact CZ-CG 4.22Å; F1664-L1782 HydrophobicContact CB-CD1 3.92Å; F1664-L1782 HydrophobicContact CD2-CD1 3.91Å; F1664-L1782 HydrophobicContact CG-CD1 4.34Å |
| 1665 | C | 94.9 | Very high | 86.7 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 38% | 0.378 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 102.8 | 172.2 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | V1662 L1686 K1687 | V1662-C1665 HydrophobicContact CG1-CB 3.73Å; C1665-L1686 WeakPolarHBondContact CA-O 3.5Å; C1665-K1687 HydrophobicContact CB-CG 4.3Å |
| 1666 | Q | 96.3 | Very high | 87 | Confident | 46 Ų | 46 | 59.7 Ų | 59.7 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 144.7 | 177.5 | -63.5 | -70.5 | 4 | 0 | 0 | 111.6 | F1664 A1668 L1686 F1770 H1775 E1778 | F1664-Q1666 HydrophobicContact CD2-CG 4.21Å; F1664-Q1666 HydrophobicContact CE1-CB 3.81Å; F1664-Q1666 HydrophobicContact CE1-CG 4.02Å; F1664-Q1666 HydrophobicContact CE2-CB 4.09Å; F1664-Q1666 HydrophobicContact CE2-CG 3.39Å; F1664-Q1666 HydrophobicContact CZ-CB 3.42Å; F1664-Q1666 VanDerWaalsContact CZ-CB 3.42Å; F1664-Q1666 HydrophobicContact CZ-CG 3.28Å; Q1666-A1668 PolarHBondContact O-N 3.42Å; Q1666-L1686 PolarHBondContact N-O 3.04Å; Q1666-L1686 VanDerWaalsContact N-O 3.09Å; Q1666-L1686 PolarHBondContact O-N 3.29Å; Q1666-F1770 HydrophobicContact CB-CD1 4.11Å; Q1666-F1770 HydrophobicContact CB-CE1 4.01Å; Q1666-H1775 HydrophobicContact CB-CB 4.31Å; Q1666-H1775 VanDerWaalsContact CD-CE1 3.45Å; Q1666-H1775 VanDerWaalsContact CD-ND1 3.27Å; Q1666-H1775 HydrophobicContact CG-CB 4.06Å; Q1666-H1775 PolarHBondContact OE1-CE1 3.38Å; Q1666-H1775 PolarHBondContact OE1-ND1 3.35Å; Q1666-E1778 PolarHBondContact NE2-OE2 2.76Å; Q1666-E1778 VanDerWaalsContact NE2-OE2 3.11Å |
| 1667 | R | 93.8 | Very high | 87.6 | Confident | 127 Ų | 127 | 60.7 Ų | 60.7 | 48% | 0.479 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 121.1 | 178.8 | -162.3 | 179.9 | -177.1 | 92.7 | -5.9 | 111.7 | G1684 D1685 D1704 | R1667-G1684 CarbonylContact C-O 3.59Å; R1667-G1684 WeakPolarHBondContact CA-O 3.16Å; R1667-D1685 WeakPolarHBondContact CA-OD1 3.41Å; R1667-D1685 WeakPolarHBondContact CB-OD1 3.41Å; R1667-D1704 VanDerWaalsContact CZ-CG 3.48Å; R1667-D1704 IonicContact CZ-OD1 2.76Å; R1667-D1704 IonicContact CZ-OD2 3.36Å; R1667-D1704 IonicContact NE-OD2 2.78Å; R1667-D1704 IonicContact NH1-OD1 3.82Å; R1667-D1704 PolarHBondContact NH1-OD1 3.27Å; R1667-D1704 IonicContact NH1-OD2 3.43Å; R1667-D1704 PolarHBondContact NH1-OD2 3.35Å; R1667-D1704 IonicContact NH2-OD1 3.4Å; R1667-D1704 PolarHBondContact NH2-OD1 3.41Å; R1667-D1704 IonicContact NH2-OD2 3.21Å; R1667-D1704 PolarHBondContact NH2-OD2 2.97Å |
| 1668 | A | 95.9 | Very high | 88.2 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 3% | 0.033 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 165 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1666 G1684 L1686 M1701 R1769 F1770 | Q1666-A1668 PolarHBondContact O-N 3.42Å; A1668-G1684 PolarHBondContact N-O 3.01Å; A1668-G1684 PolarHBondContact O-N 3.49Å; A1668-G1684 VanDerWaalsContact O-N 3.16Å; A1668-L1686 HydrophobicContact CB-CB 3.98Å; A1668-L1686 HydrophobicContact CB-CD1 4.46Å; A1668-M1701 VanDerWaalsContact O-CE 3.25Å; A1668-M1701 WeakPolarHBondContact O-CE 3.21Å; A1668-R1769 WeakPolarHBondContact CA-O 3.25Å; A1668-F1770 HydrophobicContact CB-CD1 3.93Å; A1668-F1770 HydrophobicContact CB-CE1 3.71Å; A1668-F1770 HydrophobicContact CB-CZ 4.17Å |
| 1669 | K | 95.9 | Very high | 88.8 | Confident | 61 Ų | 61 | 62.7 Ų | 62.7 | 27% | 0.265 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 118.4 | 165.3 | -174.6 | 157.1 | -161 | -170.2 | 0 | 109 | Y1671 E1680 V1683 R1769 | K1669-Y1671 HydrophobicContact CB-CE2 4.26Å; K1669-Y1671 HydrophobicContact CD-CE2 4.39Å; K1669-Y1671 WeakPolarHBondContact CD-OH 3.46Å; K1669-Y1671 HydrophobicContact CG-CE2 3.75Å; K1669-E1680 WeakPolarHBondContact CE-OE1 3.48Å; K1669-E1680 WeakPolarHBondContact CE-OE2 3.46Å; K1669-E1680 IonicContact NZ-OE1 3.16Å; K1669-E1680 PolarHBondContact NZ-OE1 3.16Å; K1669-E1680 IonicContact NZ-OE2 3.97Å; K1669-E1680 PolarHBondContact NZ-OE2 3.2Å; K1669-V1683 HydrophobicContact CB-CG2 4.37Å; K1669-V1683 HydrophobicContact CD-CG2 3.83Å; K1669-V1683 HydrophobicContact CG-CG2 3.84Å; K1669-R1769 PolarHBondContact N-O 3.09Å; K1669-R1769 PolarHBondContact O-N 3.12Å |
| 1670 | L | 96.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 136.6 | -176.5 | -174.1 | 74.1 | 0 | 0 | 0 | 110.7 | R1681 G1682 M1701 C1711 W1734 F1766 A1767 A1768 | L1670-R1681 HydrophobicContact CD2-CB 4.23Å; L1670-R1681 HydrophobicContact CD2-CG 3.84Å; L1670-R1681 HydrophobicContact CG-CB 4.21Å; L1670-R1681 HydrophobicContact CG-CG 4.35Å; L1670-R1681 PolarHBondContact O-N 3.31Å; L1670-G1682 PolarHBondContact N-O 3.36Å; L1670-G1682 PolarHBondContact O-N 2.83Å; L1670-M1701 HydrophobicContact CB-CE 3.97Å; L1670-M1701 HydrophobicContact CB-SD 3.54Å; L1670-M1701 VanDerWaalsContact CB-SD 3.54Å; L1670-M1701 HydrophobicContact CD2-SD 4.04Å; L1670-M1701 HydrophobicContact CG-SD 4.27Å; L1670-C1711 HydrophobicContact CD2-CB 3.71Å; L1670-W1734 HydrophobicContact CD1-CH2 4.3Å; L1670-F1766 HydrophobicContact CD1-CB 4.07Å; L1670-F1766 HydrophobicContact CD1-CD1 4.04Å; L1670-F1766 HydrophobicContact CD1-CG 4.28Å; L1670-F1766 HydrophobicContact CD2-CD1 4.13Å; L1670-F1766 HydrophobicContact CD2-CE1 4.3Å; L1670-F1766 HydrophobicContact CG-CD1 4.2Å; L1670-A1767 CarbonylContact C-O 3.56Å; L1670-A1767 WeakPolarHBondContact CA-O 3.3Å; L1670-A1768 HydrophobicContact CD1-CB 4.35Å |
| 1671 | Y | 94.9 | Very high | 89.8 | Confident | 41 Ų | 41 | 63.9 Ų | 63.9 | 16% | 0.161 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 147.3 | 174.9 | -60.4 | -101.1 | 0 | 0 | 0 | 109.1 | K1669 W1678 H1679 E1680 F1766 A1767 R1769 | K1669-Y1671 HydrophobicContact CB-CE2 4.26Å; K1669-Y1671 HydrophobicContact CD-CE2 4.39Å; K1669-Y1671 WeakPolarHBondContact CD-OH 3.46Å; K1669-Y1671 HydrophobicContact CG-CE2 3.75Å; Y1671-W1678 HydrophobicContact CD1-CB 4.38Å; Y1671-H1679 CarbonylContact C-O 3.58Å; Y1671-H1679 WeakPolarHBondContact CA-O 3.14Å; Y1671-E1680 HydrophobicContact CD1-CG 3.8Å; Y1671-E1680 HydrophobicContact CE1-CG 3.38Å; Y1671-E1680 PolarHBondContact OH-OE1 3.29Å; Y1671-E1680 VanDerWaalsContact OH-OE1 3.09Å; Y1671-F1766 CarbonylContact O-C 3.57Å; Y1671-F1766 VanDerWaalsContact O-CA 3.31Å; Y1671-F1766 WeakPolarHBondContact O-CA 3.28Å; Y1671-A1767 PolarHBondContact N-O 2.95Å; Y1671-A1767 PolarHBondContact O-N 2.71Å; Y1671-R1769 HydrophobicContact CE2-CB 4.3Å |
| 1672 | R | 93.5 | Very high | 90 | Very high | 43 Ų | 43 | 61.1 Ų | 61.1 | 16% | 0.162 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 136.7 | 169.7 | 179.4 | -172.1 | -77.4 | 178.9 | -11.2 | 107.4 | H1679 R1681 E1741 E1764 T1765 | R1672-H1679 PolarHBondContact N-O 3.35Å; R1672-H1679 PolarHBondContact O-N 3.24Å; R1672-R1681 HydrophobicContact CB-CB 4.11Å; R1672-R1681 HydrophobicContact CB-CG 4.39Å; R1672-E1741 IonicContact CZ-OE2 3.47Å; R1672-E1741 IonicContact NH1-OE1 2.71Å; R1672-E1741 IonicContact NH1-OE2 3.19Å; R1672-E1741 PolarHBondContact NH1-OE2 3.06Å; R1672-E1741 IonicContact NH2-OE1 3.54Å; R1672-E1741 IonicContact NH2-OE2 3.88Å; R1672-E1741 PolarHBondContact NH2-OE2 3.08Å; R1672-E1741 VanDerWaalsContact NH2-OE2 3.13Å; R1672-E1764 IonicContact CZ-OE1 3.09Å; R1672-E1764 IonicContact CZ-OE2 3.05Å; R1672-E1764 IonicContact NE-OE1 3.18Å; R1672-E1764 PolarHBondContact NE-OE1 3.21Å; R1672-E1764 IonicContact NE-OE2 2.67Å; R1672-E1764 PolarHBondContact NE-OE2 3.18Å; R1672-E1764 IonicContact NH1-OE1 3.8Å; R1672-E1764 IonicContact NH2-OE1 3.67Å; R1672-E1764 PolarHBondContact NH2-OE1 3.36Å; R1672-E1764 IonicContact NH2-OE2 2.88Å; R1672-E1764 PolarHBondContact NH2-OE2 3.25Å; R1672-T1765 CarbonylContact C-O 3.57Å |
| 1673 | W | 89.5 | Confident | 90.2 | Very high | 102 Ų | 102 | 59.8 Ų | 59.8 | 39% | 0.386 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 120.9 | 168.7 | -175.5 | -103.6 | 0 | 0 | 0 | 108.6 | N1676 W1678 T1765 | W1673-N1676 VanDerWaalsContact CH2-C 3.43Å; W1673-N1676 WeakPolarHBondContact CH2-O 3.33Å; W1673-N1676 VanDerWaalsContact CZ2-C 3.48Å; W1673-N1676 HydrophobicContact CZ2-CB 4.23Å; W1673-W1678 HydrophobicContact CB-CE3 4.08Å; W1673-W1678 HydrophobicContact CB-CH2 4.05Å; W1673-W1678 HydrophobicContact CB-CZ3 3.79Å; W1673-W1678 AromaticContact CE3-CD1 3.66Å; W1673-W1678 AromaticContact CE3-CD2 3.63Å; W1673-W1678 HydrophobicContact CE3-CD2 3.63Å; W1673-W1678 AromaticContact CE3-CE2 3.47Å; W1673-W1678 VanDerWaalsContact CE3-CE2 3.47Å; W1673-W1678 HydrophobicContact CE3-CE3 4.26Å; W1673-W1678 AromaticContact CE3-CG 3.77Å; W1673-W1678 HydrophobicContact CE3-CG 3.77Å; W1673-W1678 HydrophobicContact CE3-CZ2 4.03Å; W1673-W1678 AromaticContact CE3-NE1 3.45Å; W1673-W1678 AromaticContact CZ3-CD1 3.49Å; W1673-W1678 VanDerWaalsContact CZ3-CD1 3.49Å; W1673-W1678 HydrophobicContact CZ3-CD2 4.28Å; W1673-W1678 AromaticContact CZ3-CE2 3.95Å; W1673-W1678 HydrophobicContact CZ3-CG 4.03Å; W1673-W1678 AromaticContact CZ3-NE1 3.4Å; W1673-T1765 HydrophobicContact CB-CG2 4.19Å; W1673-T1765 PolarHBondContact N-O 3.2Å |
| 1674 | D | 80.2 | Confident | 90.3 | Very high | 76 Ų | 76 | 57.3 Ų | 57.3 | 41% | 0.406 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 145.5 | 178.4 | 175.1 | 35.2 | 0 | 0 | 0 | 108.8 | N1676 T1677 | D1674-N1676 VanDerWaalsContact C-N 3.25Å; D1674-N1676 PolarHBondContact O-N 3.05Å; D1674-N1676 VanDerWaalsContact O-N 3.15Å; D1674-T1677 PolarHBondContact N-O 3.39Å; D1674-T1677 PolarHBondContact O-N 2.87Å; D1674-T1677 PolarHBondContact O-OG1 3.39Å |
| 1675 | N | 79.8 | Confident | 90.4 | Very high | 79 Ų | 79 | 60.7 Ų | 60.7 | 42% | 0.422 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 44.7 | -178.2 | -65.7 | -72.7 | 0 | 0 | 0 | 113.9 | T1677 | N1675-T1677 PolarHBondContact O-N 3.18Å; N1675-T1677 VanDerWaalsContact O-N 3.14Å |
| 1676 | N | 77.7 | Confident | 90.4 | Very high | 117 Ų | 117 | 58 Ų | 58 | 63% | 0.626 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 22.4 | -175.8 | -67.3 | -49.1 | 0 | 0 | 0 | 115.9 | W1673 D1674 | W1673-N1676 VanDerWaalsContact CH2-C 3.43Å; W1673-N1676 WeakPolarHBondContact CH2-O 3.33Å; W1673-N1676 VanDerWaalsContact CZ2-C 3.48Å; W1673-N1676 HydrophobicContact CZ2-CB 4.23Å; D1674-N1676 VanDerWaalsContact C-N 3.25Å; D1674-N1676 PolarHBondContact O-N 3.05Å; D1674-N1676 VanDerWaalsContact O-N 3.15Å |
| 1677 | T | 80.9 | Confident | 90.5 | Very high | 69 Ų | 69 | 58.5 Ų | 58.5 | 42% | 0.423 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 159.6 | 176.6 | 69 | 0 | 0 | 0 | 0 | 113.1 | D1674 N1675 H1679 | D1674-T1677 PolarHBondContact N-O 3.39Å; D1674-T1677 PolarHBondContact O-N 2.87Å; D1674-T1677 PolarHBondContact O-OG1 3.39Å; N1675-T1677 PolarHBondContact O-N 3.18Å; N1675-T1677 VanDerWaalsContact O-N 3.14Å; T1677-H1679 PolarHBondContact OG1-NE2 2.93Å |
| 1678 | W | 86.3 | Confident | 90.6 | Very high | 80 Ų | 80 | 52.5 Ų | 52.5 | 30% | 0.303 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 109.1 | 176.7 | -73.6 | 106.7 | 0 | 0 | 0 | 111 | Y1671 W1673 M1724 T1765 A1767 | Y1671-W1678 HydrophobicContact CD1-CB 4.38Å; W1673-W1678 HydrophobicContact CB-CE3 4.08Å; W1673-W1678 HydrophobicContact CB-CH2 4.05Å; W1673-W1678 HydrophobicContact CB-CZ3 3.79Å; W1673-W1678 AromaticContact CE3-CD1 3.66Å; W1673-W1678 AromaticContact CE3-CD2 3.63Å; W1673-W1678 HydrophobicContact CE3-CD2 3.63Å; W1673-W1678 AromaticContact CE3-CE2 3.47Å; W1673-W1678 VanDerWaalsContact CE3-CE2 3.47Å; W1673-W1678 HydrophobicContact CE3-CE3 4.26Å; W1673-W1678 AromaticContact CE3-CG 3.77Å; W1673-W1678 HydrophobicContact CE3-CG 3.77Å; W1673-W1678 HydrophobicContact CE3-CZ2 4.03Å; W1673-W1678 AromaticContact CE3-NE1 3.45Å; W1673-W1678 AromaticContact CZ3-CD1 3.49Å; W1673-W1678 VanDerWaalsContact CZ3-CD1 3.49Å; W1673-W1678 HydrophobicContact CZ3-CD2 4.28Å; W1673-W1678 AromaticContact CZ3-CE2 3.95Å; W1673-W1678 HydrophobicContact CZ3-CG 4.03Å; W1673-W1678 AromaticContact CZ3-NE1 3.4Å; W1678-M1724 HydrophobicContact CD2-CE 4.06Å; W1678-M1724 HydrophobicContact CG-CE 4.16Å; W1678-M1724 HydrophobicContact CZ2-CE 4.05Å; W1678-M1724 VanDerWaalsContact NE1-CE 3.32Å; W1678-T1765 HydrophobicContact CH2-CG2 4.03Å; W1678-A1767 HydrophobicContact CE3-CB 4Å; W1678-A1767 HydrophobicContact CH2-CB 3.63Å; W1678-A1767 HydrophobicContact CZ2-CB 4.19Å; W1678-A1767 HydrophobicContact CZ3-CB 3.53Å |
| 1679 | H | 86.8 | Confident | 90.5 | Very high | 86 Ų | 86 | 52.3 Ų | 52.3 | 40% | 0.398 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 142.6 | 175.4 | -72.5 | -75.4 | 0 | 0 | 0 | 111.9 | Y1671 R1672 T1677 R1681 | Y1671-H1679 CarbonylContact C-O 3.58Å; Y1671-H1679 WeakPolarHBondContact CA-O 3.14Å; R1672-H1679 PolarHBondContact N-O 3.35Å; R1672-H1679 PolarHBondContact O-N 3.24Å; T1677-H1679 PolarHBondContact OG1-NE2 2.93Å; H1679-R1681 PolarHBondContact O-N 3.19Å |
| 1680 | E | 90.7 | Very high | 90.3 | Very high | 120 Ų | 120 | 54.1 Ų | 54.1 | 56% | 0.561 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 116.9 | 177.8 | -65.4 | -165.5 | 156.4 | 0 | 0 | 111 | K1669 Y1671 | K1669-E1680 WeakPolarHBondContact CE-OE1 3.48Å; K1669-E1680 WeakPolarHBondContact CE-OE2 3.46Å; K1669-E1680 IonicContact NZ-OE1 3.16Å; K1669-E1680 PolarHBondContact NZ-OE1 3.16Å; K1669-E1680 IonicContact NZ-OE2 3.97Å; K1669-E1680 PolarHBondContact NZ-OE2 3.2Å; Y1671-E1680 HydrophobicContact CD1-CG 3.8Å; Y1671-E1680 HydrophobicContact CE1-CG 3.38Å; Y1671-E1680 PolarHBondContact OH-OE1 3.29Å; Y1671-E1680 VanDerWaalsContact OH-OE1 3.09Å |
| 1681 | R | 90.3 | Very high | 89.8 | Confident | 30 Ų | 30 | 55 Ų | 55 | 11% | 0.113 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -36.7 | -173.8 | 179.5 | 61.6 | -172.9 | 162.4 | -1.6 | 112.6 | L1670 R1672 H1679 R1703 C1710 S1740 E1741 | L1670-R1681 HydrophobicContact CD2-CB 4.23Å; L1670-R1681 HydrophobicContact CD2-CG 3.84Å; L1670-R1681 HydrophobicContact CG-CB 4.21Å; L1670-R1681 HydrophobicContact CG-CG 4.35Å; L1670-R1681 PolarHBondContact O-N 3.31Å; R1672-R1681 HydrophobicContact CB-CB 4.11Å; R1672-R1681 HydrophobicContact CB-CG 4.39Å; H1679-R1681 PolarHBondContact O-N 3.19Å; R1681-R1703 PolarHBondContact O-NE 2.84Å; R1681-R1703 PolarHBondContact O-NH2 3.15Å; R1681-C1710 HydrophobicContact CG-CB 4.26Å; R1681-C1710 WeakPolarHBondContact CG-O 3.29Å; R1681-C1710 PolarHBondContact NE-O 3.28Å; R1681-C1710 VanDerWaalsContact NE-O 3.13Å; R1681-S1740 PolarHBondContact NH2-OG 3.38Å; R1681-E1741 IonicContact CZ-OE1 2.65Å; R1681-E1741 IonicContact NH1-OE1 3.95Å; R1681-E1741 PolarHBondContact NH1-OE1 2.89Å; R1681-E1741 VanDerWaalsContact NH2-CD 3.26Å; R1681-E1741 IonicContact NH2-OE1 2.63Å; R1681-E1741 PolarHBondContact NH2-OE1 3.35Å |
| 1682 | G | 90.9 | Very high | 89 | Confident | 9 Ų | 9 | 57 Ų | 57 | 9% | 0.093 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.5 | 163.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1670 | L1670-G1682 PolarHBondContact N-O 3.36Å; L1670-G1682 PolarHBondContact O-N 2.83Å |
| 1683 | V | 93 | Very high | 88 | Confident | 54 Ų | 54 | 61.1 Ų | 61.1 | 33% | 0.327 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.3 | 169.2 | -173.7 | 0 | 0 | 0 | 0 | 106.9 | K1669 R1703 D1704 | K1669-V1683 HydrophobicContact CB-CG2 4.37Å; K1669-V1683 HydrophobicContact CD-CG2 3.83Å; K1669-V1683 HydrophobicContact CG-CG2 3.84Å; V1683-R1703 CarbonylContact O-C 3.52Å; V1683-R1703 VanDerWaalsContact O-CA 3.29Å; V1683-R1703 WeakPolarHBondContact O-CA 3.34Å; V1683-D1704 VanDerWaalsContact C-OD2 3.3Å; V1683-D1704 PolarHBondContact O-N 3.23Å |
| 1684 | G | 94.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.4 | -166 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1667 A1668 M1701 D1704 | R1667-G1684 CarbonylContact C-O 3.59Å; R1667-G1684 WeakPolarHBondContact CA-O 3.16Å; A1668-G1684 PolarHBondContact N-O 3.01Å; A1668-G1684 PolarHBondContact O-N 3.49Å; A1668-G1684 VanDerWaalsContact O-N 3.16Å; G1684-M1701 VanDerWaalsContact N-CE 3.25Å; G1684-D1704 WeakPolarHBondContact CA-OD2 3.29Å; G1684-D1704 PolarHBondContact N-OD2 3.45Å |
| 1685 | D | 95.5 | Very high | 87.5 | Confident | 74 Ų | 74 | 57.1 Ų | 57.1 | 40% | 0.396 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 119.3 | 179.7 | -59.9 | -28.9 | 0 | 0 | 0 | 110.3 | R1667 | R1667-D1685 WeakPolarHBondContact CA-OD1 3.41Å; R1667-D1685 WeakPolarHBondContact CB-OD1 3.41Å |
| 1686 | L | 96.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 125.1 | 174.9 | -173.6 | 153.1 | 0 | 0 | 0 | 108.3 | F1664 C1665 Q1666 A1668 M1701 W1734 A1768 F1779 | F1664-L1686 HydrophobicContact CD1-CD2 4.2Å; F1664-L1686 HydrophobicContact CE1-CD2 4.09Å; C1665-L1686 WeakPolarHBondContact CA-O 3.5Å; Q1666-L1686 PolarHBondContact N-O 3.04Å; Q1666-L1686 VanDerWaalsContact N-O 3.09Å; Q1666-L1686 PolarHBondContact O-N 3.29Å; A1668-L1686 HydrophobicContact CB-CB 3.98Å; A1668-L1686 HydrophobicContact CB-CD1 4.46Å; L1686-M1701 HydrophobicContact CB-CB 4.32Å; L1686-M1701 HydrophobicContact CB-CG 4.12Å; L1686-M1701 HydrophobicContact CB-SD 4Å; L1686-M1701 HydrophobicContact CD1-SD 4.07Å; L1686-M1701 HydrophobicContact CG-CB 4.32Å; L1686-M1701 HydrophobicContact CG-SD 4.38Å; L1686-W1734 HydrophobicContact CD1-CH2 4.26Å; L1686-A1768 HydrophobicContact CD1-CB 3.77Å; L1686-F1779 HydrophobicContact CD2-CD2 3.84Å; L1686-F1779 HydrophobicContact CD2-CE2 3.41Å; L1686-F1779 VanDerWaalsContact CD2-CE2 3.41Å; L1686-F1779 HydrophobicContact CD2-CZ 4.18Å |
| 1687 | K | 96.4 | Very high | 88.4 | Confident | 55 Ų | 55 | 51.3 Ų | 51.3 | 24% | 0.239 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 143.9 | -176.6 | -55.9 | -174.4 | -170.6 | 174.4 | 0 | 112.4 | E1657 F1664 C1665 L1689 C1699 V1700 | E1657-K1687 IonicContact OE2-NZ 3.26Å; E1657-K1687 PolarHBondContact OE2-NZ 3.26Å; F1664-K1687 CarbonylContact O-C 3.5Å; F1664-K1687 WeakPolarHBondContact O-CA 3.2Å; C1665-K1687 HydrophobicContact CB-CG 4.3Å; K1687-L1689 HydrophobicContact CB-CD2 3.97Å; K1687-L1689 HydrophobicContact CB-CG 4.09Å; K1687-L1689 HydrophobicContact CD-CD2 3.92Å; K1687-C1699 WeakPolarHBondContact O-CA 3.48Å; K1687-V1700 PolarHBondContact N-O 3.49Å; K1687-V1700 PolarHBondContact O-N 3.23Å |
| 1688 | L | 96.3 | Very high | 89 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.9 | 157.2 | -58.8 | -177.2 | 0 | 0 | 0 | 108.2 | I1663 F1664 I1697 R1698 C1699 I1715 F1779 L1782 F1783 | I1663-L1688 PolarHBondContact N-O 3.3Å; F1664-L1688 HydrophobicContact CB-CB 3.81Å; F1664-L1688 HydrophobicContact CB-CD1 4.11Å; F1664-L1688 HydrophobicContact CB-CG 3.88Å; F1664-L1688 HydrophobicContact CD1-CG 4.35Å; F1664-L1688 HydrophobicContact CG-CG 4.47Å; F1664-L1688 PolarHBondContact N-O 3.13Å; F1664-L1688 PolarHBondContact O-N 3.01Å; L1688-I1697 HydrophobicContact CB-CG2 4.37Å; L1688-R1698 WeakPolarHBondContact CA-O 3.3Å; L1688-C1699 HydrophobicContact CD2-CB 3.77Å; L1688-I1715 HydrophobicContact CD2-CD1 3.71Å; L1688-F1779 HydrophobicContact CD1-CD2 4.34Å; L1688-F1779 HydrophobicContact CD1-CE2 4.3Å; L1688-F1779 HydrophobicContact CD2-CE2 4.05Å; L1688-F1779 HydrophobicContact CG-CE2 4.28Å; L1688-L1782 HydrophobicContact CD1-CB 3.94Å; L1688-F1783 HydrophobicContact CD1-CB 4.45Å; L1688-F1783 HydrophobicContact CD2-CD2 4.42Å |
| 1689 | L | 94.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.5 | -173.9 | -62.1 | -176.3 | 0 | 0 | 0 | 109.4 | E1657 D1660 D1661 V1662 K1687 I1697 R1698 V1700 | E1657-L1689 HydrophobicContact CB-CD1 4.1Å; E1657-L1689 HydrophobicContact CG-CD1 3.73Å; D1660-L1689 HydrophobicContact CB-CB 3.81Å; D1661-L1689 CarbonylContact O-C 3.57Å; D1661-L1689 VanDerWaalsContact O-CA 3.32Å; D1661-L1689 WeakPolarHBondContact O-CA 3.47Å; V1662-L1689 HydrophobicContact CB-CD2 4.26Å; V1662-L1689 HydrophobicContact CG1-CD2 4.43Å; V1662-L1689 HydrophobicContact CG2-CD2 3.73Å; K1687-L1689 HydrophobicContact CB-CD2 3.97Å; K1687-L1689 HydrophobicContact CB-CG 4.09Å; K1687-L1689 HydrophobicContact CD-CD2 3.92Å; L1689-I1697 CarbonylContact O-C 3.59Å; L1689-I1697 VanDerWaalsContact O-CA 3.3Å; L1689-I1697 WeakPolarHBondContact O-CA 3.4Å; L1689-R1698 HydrophobicContact CB-CG 4.02Å; L1689-R1698 PolarHBondContact N-O 3.07Å; L1689-R1698 PolarHBondContact O-N 2.72Å; L1689-V1700 HydrophobicContact CD1-CB 4.1Å; L1689-V1700 HydrophobicContact CD1-CG2 3.91Å |
| 1690 | R | 90.6 | Very high | 89.9 | Confident | 100 Ų | 100 | 43 Ų | 43 | 38% | 0.377 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 117.1 | 176.1 | 176.8 | -179 | 62.4 | -146.3 | -2.1 | 110 | D1660 D1661 I1663 T1692 I1697 | D1660-R1690 CarbonylContact C-O 3.59Å; D1660-R1690 VanDerWaalsContact CA-O 3.27Å; D1660-R1690 WeakPolarHBondContact CA-O 3.46Å; D1661-R1690 HydrophobicContact CB-CB 4.45Å; D1661-R1690 PolarHBondContact N-O 2.99Å; D1661-R1690 PolarHBondContact O-N 3.1Å; D1661-R1690 IonicContact OD2-CZ 3.08Å; D1661-R1690 IonicContact OD2-NE 2.69Å; D1661-R1690 PolarHBondContact OD2-NE 3.16Å; D1661-R1690 IonicContact OD2-NH2 3.3Å; D1661-R1690 PolarHBondContact OD2-NH2 2.9Å; I1663-R1690 HydrophobicContact CD1-CB 3.52Å; I1663-R1690 HydrophobicContact CD1-CG 4.3Å; I1663-R1690 HydrophobicContact CG1-CB 4.01Å; R1690-T1692 PolarHBondContact O-N 3.43Å; R1690-I1697 HydrophobicContact CB-CG1 3.99Å; R1690-I1697 HydrophobicContact CG-CG1 4.05Å |
| 1691 | S | 87.5 | Confident | 90.1 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 12% | 0.119 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 123.7 | 174.7 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | D1660 I1693 T1694 G1695 V1696 | D1660-S1691 VanDerWaalsContact OD1-CA 3.24Å; D1660-S1691 WeakPolarHBondContact OD1-CA 3.42Å; S1691-I1693 PolarHBondContact O-N 3.31Å; S1691-T1694 WeakPolarHBondContact CB-OG1 3.16Å; S1691-T1694 PolarHBondContact OG-N 3.33Å; S1691-T1694 PolarHBondContact OG-OG1 3.44Å; S1691-T1694 VanDerWaalsContact OG-OG1 3.04Å; S1691-G1695 WeakPolarHBondContact O-CA 3.47Å; S1691-G1695 PolarHBondContact O-N 2.99Å; S1691-V1696 PolarHBondContact N-O 3.47Å |
| 1692 | T | 78.5 | Confident | 90.1 | Very high | 83 Ų | 83 | 39.3 Ų | 39.3 | 51% | 0.509 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -30 | 176.5 | 54.3 | 0 | 0 | 0 | 0 | 112.1 | N1659 D1661 R1690 | N1659-T1692 WeakPolarHBondContact O-CB 3.43Å; N1659-T1692 WeakPolarHBondContact O-CG2 3.44Å; N1659-T1692 PolarHBondContact O-N 3.06Å; N1659-T1692 PolarHBondContact O-OG1 3.48Å; D1661-T1692 WeakPolarHBondContact OD1-CG2 3.25Å; R1690-T1692 PolarHBondContact O-N 3.43Å |
| 1693 | I | 71.8 | Confident | 90.1 | Very high | 131 Ų | 131 | 42 Ų | 42 | 67% | 0.672 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -50.5 | -178.6 | -56.3 | 171.1 | 0 | 0 | 0 | 111 | S1691 | S1691-I1693 PolarHBondContact O-N 3.31Š|
| 1694 | T | 79.1 | Confident | 89.7 | Confident | 71 Ų | 71 | 41.3 Ų | 41.3 | 44% | 0.436 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -12.6 | -171 | 64.4 | 0 | 0 | 0 | 0 | 113.6 | S1691 V1696 R1793 | S1691-T1694 WeakPolarHBondContact CB-OG1 3.16Å; S1691-T1694 PolarHBondContact OG-N 3.33Å; S1691-T1694 PolarHBondContact OG-OG1 3.44Å; S1691-T1694 VanDerWaalsContact OG-OG1 3.04Å; T1694-V1696 PolarHBondContact O-N 3.36Å; T1694-V1696 VanDerWaalsContact O-N 3.13Å; T1694-V1696 WeakPolarHBondContact OG1-CB 3.34Å; T1694-V1696 WeakPolarHBondContact OG1-CG2 3.32Å; T1694-V1696 PolarHBondContact OG1-N 2.99Å; T1694-R1793 VanDerWaalsContact O-CZ 3.23Å; T1694-R1793 PolarHBondContact O-NH1 3.3Å; T1694-R1793 PolarHBondContact O-NH2 2.76Å |
| 1695 | G | 80 | Confident | 88.9 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 24% | 0.237 | 25% | 0.248 | C | C | . | . | trans | 65.2 | 2.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1691 | S1691-G1695 WeakPolarHBondContact O-CA 3.47Å; S1691-G1695 PolarHBondContact O-N 2.99Å | ||
| 1696 | V | 85.6 | Confident | 88.2 | Confident | 53 Ų | 53 | 49.8 Ų | 49.8 | 32% | 0.321 | 25% | 0.251 | S | S | . | . | trans | -73.3 | 135.3 | -179.3 | 176.5 | 0 | 0 | 0 | 0 | 110 | S1691 T1694 V1714 | S1691-V1696 PolarHBondContact N-O 3.47Å; T1694-V1696 PolarHBondContact O-N 3.36Å; T1694-V1696 VanDerWaalsContact O-N 3.13Å; T1694-V1696 WeakPolarHBondContact OG1-CB 3.34Å; T1694-V1696 WeakPolarHBondContact OG1-CG2 3.32Å; T1694-V1696 PolarHBondContact OG1-N 2.99Å; V1696-V1714 HydrophobicContact CG1-CB 4.45Å; V1696-V1714 HydrophobicContact CG1-CG1 3.45Å; V1696-V1714 VanDerWaalsContact CG1-CG1 3.45Å; V1696-V1714 HydrophobicContact CG1-CG2 4.17Å | ||
| 1697 | I | 91.7 | Very high | 87.3 | Confident | 21 Ų | 21 | 55.4 Ų | 55.4 | 11% | 0.108 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 132.6 | -179.3 | -54.3 | 178.8 | 0 | 0 | 0 | 109.7 | I1663 L1688 L1689 R1690 I1715 A1786 | I1663-I1697 HydrophobicContact CD1-CD1 3.99Å; I1663-I1697 HydrophobicContact CD1-CG1 4.45Å; L1688-I1697 HydrophobicContact CB-CG2 4.37Å; L1689-I1697 CarbonylContact O-C 3.59Å; L1689-I1697 VanDerWaalsContact O-CA 3.3Å; L1689-I1697 WeakPolarHBondContact O-CA 3.4Å; R1690-I1697 HydrophobicContact CB-CG1 3.99Å; R1690-I1697 HydrophobicContact CG-CG1 4.05Å; I1697-I1715 HydrophobicContact CG2-CD1 4.24Å; I1697-I1715 PolarHBondContact O-N 2.74Å; I1697-A1786 HydrophobicContact CB-CB 4.03Å; I1697-A1786 HydrophobicContact CD1-CB 3.65Å; I1697-A1786 HydrophobicContact CG1-CB 4.39Å; I1697-A1786 HydrophobicContact CG2-CB 3.91Å |
| 1698 | R | 93.9 | Very high | 86.9 | Confident | 55 Ų | 55 | 59.4 Ų | 59.4 | 21% | 0.208 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 150 | 176.5 | 63.5 | 172.7 | 176.5 | 159.1 | -7.7 | 112.4 | G1656 D1660 L1688 L1689 V1700 N1712 H1713 V1714 | G1656-R1698 PolarHBondContact O-NH2 3.24Å; D1660-R1698 IonicContact OD2-CZ 3.29Å; D1660-R1698 IonicContact OD2-NE 3.54Å; D1660-R1698 PolarHBondContact OD2-NE 3.29Å; D1660-R1698 IonicContact OD2-NH2 3.03Å; D1660-R1698 PolarHBondContact OD2-NH2 3.41Å; L1688-R1698 WeakPolarHBondContact CA-O 3.3Å; L1689-R1698 HydrophobicContact CB-CG 4.02Å; L1689-R1698 PolarHBondContact N-O 3.07Å; L1689-R1698 PolarHBondContact O-N 2.72Å; R1698-V1700 HydrophobicContact CG-CG2 4.13Å; R1698-N1712 PolarHBondContact NH1-OD1 3.46Å; R1698-H1713 CarbonylContact C-O 3.57Å; R1698-H1713 VanDerWaalsContact CA-O 3.25Å; R1698-H1713 WeakPolarHBondContact CA-O 3.19Å; R1698-H1713 VanDerWaalsContact CB-O 3.27Å; R1698-H1713 WeakPolarHBondContact CB-O 3.43Å; R1698-V1714 HydrophobicContact CB-CG2 4.46Å |
| 1699 | C | 95.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 121.1 | 175.6 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | K1687 L1688 N1712 H1713 | K1687-C1699 WeakPolarHBondContact O-CA 3.48Å; L1688-C1699 HydrophobicContact CD2-CB 3.77Å; C1699-N1712 WeakPolarHBondContact O-CA 3.47Å; C1699-H1713 PolarHBondContact N-O 3.19Å; C1699-H1713 PolarHBondContact O-N 2.98Å; C1699-H1713 VanDerWaalsContact O-N 3.1Å |
| 1700 | V | 95 | Very high | 86.4 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.03 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134.2 | -177.5 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | K1687 L1689 R1698 C1711 | K1687-V1700 PolarHBondContact N-O 3.49Å; K1687-V1700 PolarHBondContact O-N 3.23Å; L1689-V1700 HydrophobicContact CD1-CB 4.1Å; L1689-V1700 HydrophobicContact CD1-CG2 3.91Å; R1698-V1700 HydrophobicContact CG-CG2 4.13Å; V1700-C1711 WeakPolarHBondContact CA-O 3.03Å |
| 1701 | M | 95.1 | Very high | 86.5 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 132.9 | 174.5 | -173 | -179.3 | 168.8 | 0 | 0 | 111.3 | A1668 L1670 G1684 L1686 C1710 C1711 | A1668-M1701 VanDerWaalsContact O-CE 3.25Å; A1668-M1701 WeakPolarHBondContact O-CE 3.21Å; L1670-M1701 HydrophobicContact CB-CE 3.97Å; L1670-M1701 HydrophobicContact CB-SD 3.54Å; L1670-M1701 VanDerWaalsContact CB-SD 3.54Å; L1670-M1701 HydrophobicContact CD2-SD 4.04Å; L1670-M1701 HydrophobicContact CG-SD 4.27Å; G1684-M1701 VanDerWaalsContact N-CE 3.25Å; L1686-M1701 HydrophobicContact CB-CB 4.32Å; L1686-M1701 HydrophobicContact CB-CG 4.12Å; L1686-M1701 HydrophobicContact CB-SD 4Å; L1686-M1701 HydrophobicContact CD1-SD 4.07Å; L1686-M1701 HydrophobicContact CG-CB 4.32Å; L1686-M1701 HydrophobicContact CG-SD 4.38Å; M1701-C1710 PolarHBondContact O-N 2.9Å; M1701-C1710 PolarHBondContact O-SG 3.49Å; M1701-C1711 HydrophobicContact CB-CB 4.02Å; M1701-C1711 PolarHBondContact N-O 3.22Å; M1701-C1711 PolarHBondContact O-N 3.32Å |
| 1702 | R | 91.5 | Very high | 86.9 | Confident | 71 Ų | 71 | 57.4 Ų | 57.4 | 27% | 0.268 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 150.6 | 174.8 | -66.3 | 177.1 | -173.1 | -94.8 | 0.7 | 110.3 | T1655 E1657 L1707 K1708 V1709 | T1655-R1702 PolarHBondContact O-NH2 2.89Å; E1657-R1702 IonicContact OE1-CZ 3.86Å; E1657-R1702 IonicContact OE1-NE 3.56Å; E1657-R1702 PolarHBondContact OE1-NE 3Å; E1657-R1702 IonicContact OE1-NH2 3.76Å; E1657-R1702 PolarHBondContact OE1-NH2 3.39Å; R1702-L1707 WeakPolarHBondContact CD-O 3.48Å; R1702-L1707 WeakPolarHBondContact CG-O 3.3Å; R1702-L1707 PolarHBondContact NH1-O 3.36Å; R1702-K1708 WeakPolarHBondContact CA-O 3.48Å; R1702-V1709 HydrophobicContact CG-CG2 4.14Å |
| 1703 | R | 90.5 | Very high | 87.6 | Confident | 67 Ų | 67 | 53.5 Ų | 53.5 | 25% | 0.253 | 27% | 0.271 | S | S | . | . | trans | -76.3 | 139.7 | 175.7 | -61 | -172.3 | -174.7 | 98.2 | -1.8 | 111.5 | R1681 V1683 L1707 K1708 C1710 | R1681-R1703 PolarHBondContact O-NE 2.84Å; R1681-R1703 PolarHBondContact O-NH2 3.15Å; V1683-R1703 CarbonylContact O-C 3.52Å; V1683-R1703 VanDerWaalsContact O-CA 3.29Å; V1683-R1703 WeakPolarHBondContact O-CA 3.34Å; R1703-L1707 VanDerWaalsContact O-CA 3.25Å; R1703-L1707 WeakPolarHBondContact O-CA 3.37Å; R1703-L1707 PolarHBondContact O-N 2.99Å; R1703-K1708 PolarHBondContact N-O 3.44Å; R1703-C1710 HydrophobicContact CG-CB 4.1Å | ||
| 1704 | D | 85 | Confident | 88.6 | Confident | 38 Ų | 38 | 50.9 Ų | 50.9 | 20% | 0.203 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 145.3 | 165.9 | -70.2 | -61.3 | 0 | 0 | 0 | 111.2 | R1667 V1683 G1684 V1706 | R1667-D1704 VanDerWaalsContact CZ-CG 3.48Å; R1667-D1704 IonicContact CZ-OD1 2.76Å; R1667-D1704 IonicContact CZ-OD2 3.36Å; R1667-D1704 IonicContact NE-OD2 2.78Å; R1667-D1704 IonicContact NH1-OD1 3.82Å; R1667-D1704 PolarHBondContact NH1-OD1 3.27Å; R1667-D1704 IonicContact NH1-OD2 3.43Å; R1667-D1704 PolarHBondContact NH1-OD2 3.35Å; R1667-D1704 IonicContact NH2-OD1 3.4Å; R1667-D1704 PolarHBondContact NH2-OD1 3.41Å; R1667-D1704 IonicContact NH2-OD2 3.21Å; R1667-D1704 PolarHBondContact NH2-OD2 2.97Å; V1683-D1704 VanDerWaalsContact C-OD2 3.3Å; V1683-D1704 PolarHBondContact O-N 3.23Å; G1684-D1704 WeakPolarHBondContact CA-OD2 3.29Å; G1684-D1704 PolarHBondContact N-OD2 3.45Å; D1704-V1706 PolarHBondContact O-N 2.96Å |
| 1705 | H | 77.5 | Confident | 89.2 | Confident | 177 Ų | 177 | 47.6 Ų | 47.6 | 82% | 0.819 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | -46.1 | -177.9 | -48.2 | -79.6 | 0 | 0 | 0 | 115.5 | ||
| 1706 | V | 79.9 | Confident | 89.6 | Confident | 76 Ų | 76 | 47.7 Ų | 47.7 | 46% | 0.461 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -18.6 | -174.3 | -172.2 | 0 | 0 | 0 | 0 | 112.6 | D1704 K1708 | D1704-V1706 PolarHBondContact O-N 2.96Å; V1706-K1708 HydrophobicContact CG1-CB 4.3Å; V1706-K1708 HydrophobicContact CG1-CD 3.9Å; V1706-K1708 HydrophobicContact CG1-CG 3.96Å; V1706-K1708 PolarHBondContact O-N 2.99Å |
| 1707 | L | 78.6 | Confident | 89.4 | Confident | 118 Ų | 118 | 46.9 Ų | 46.9 | 62% | 0.618 | 24% | 0.24 | S | C | * | . | trans | 54.5 | 0.2 | 177 | -58.5 | 179 | 0 | 0 | 0 | 117.4 | R1702 R1703 | R1702-L1707 WeakPolarHBondContact CD-O 3.48Å; R1702-L1707 WeakPolarHBondContact CG-O 3.3Å; R1702-L1707 PolarHBondContact NH1-O 3.36Å; R1703-L1707 VanDerWaalsContact O-CA 3.25Å; R1703-L1707 WeakPolarHBondContact O-CA 3.37Å; R1703-L1707 PolarHBondContact O-N 2.99Å | ||
| 1708 | K | 86.4 | Confident | 88.9 | Confident | 139 Ų | 139 | 47.7 Ų | 47.7 | 60% | 0.604 | 25% | 0.254 | S | S | * | . | trans | -59.8 | 134.1 | 170.9 | -75.3 | -179.3 | -178.5 | -175.4 | 0 | 110.6 | R1702 R1703 V1706 | R1702-K1708 WeakPolarHBondContact CA-O 3.48Å; R1703-K1708 PolarHBondContact N-O 3.44Å; V1706-K1708 HydrophobicContact CG1-CB 4.3Å; V1706-K1708 HydrophobicContact CG1-CD 3.9Å; V1706-K1708 HydrophobicContact CG1-CG 3.96Å; V1706-K1708 PolarHBondContact O-N 2.99Å | ||
| 1709 | V | 89.2 | Confident | 88.7 | Confident | 38 Ų | 38 | 45.7 Ų | 45.7 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 139.4 | 171.4 | -175.2 | 0 | 0 | 0 | 0 | 109 | R1702 C1711 N1712 | R1702-V1709 HydrophobicContact CG-CG2 4.14Å; V1709-C1711 VanDerWaalsContact CG1-O 3.32Å; V1709-C1711 WeakPolarHBondContact CG1-O 3.31Å; V1709-N1712 HydrophobicContact CG1-CB 3.72Å |
| 1710 | C | 91.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | -3.3 | 179.8 | 65.5 | 0 | 0 | 0 | 0 | 114.1 | R1681 M1701 R1703 | R1681-C1710 HydrophobicContact CG-CB 4.26Å; R1681-C1710 WeakPolarHBondContact CG-O 3.29Å; R1681-C1710 PolarHBondContact NE-O 3.28Å; R1681-C1710 VanDerWaalsContact NE-O 3.13Å; M1701-C1710 PolarHBondContact O-N 2.9Å; M1701-C1710 PolarHBondContact O-SG 3.49Å; R1703-C1710 HydrophobicContact CG-CB 4.1Å |
| 1711 | C | 93.8 | Very high | 88 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 132.8 | 166.8 | 171.6 | 0 | 0 | 0 | 0 | 106.9 | L1670 V1700 M1701 V1709 H1713 D1738 | L1670-C1711 HydrophobicContact CD2-CB 3.71Å; V1700-C1711 WeakPolarHBondContact CA-O 3.03Å; M1701-C1711 HydrophobicContact CB-CB 4.02Å; M1701-C1711 PolarHBondContact N-O 3.22Å; M1701-C1711 PolarHBondContact O-N 3.32Å; V1709-C1711 VanDerWaalsContact CG1-O 3.32Å; V1709-C1711 WeakPolarHBondContact CG1-O 3.31Å; C1711-H1713 PolarHBondContact SG-CD2 3.49Å; C1711-D1738 WeakPolarHBondContact CA-OD1 3.39Å |
| 1712 | N | 94.3 | Very high | 87.7 | Confident | 38 Ų | 38 | 56 Ų | 56 | 20% | 0.203 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 94.8 | 173.7 | 173.3 | 41.3 | 0 | 0 | 0 | 108.9 | R1698 C1699 V1709 D1738 Y1739 | R1698-N1712 PolarHBondContact NH1-OD1 3.46Å; C1699-N1712 WeakPolarHBondContact O-CA 3.47Å; V1709-N1712 HydrophobicContact CG1-CB 3.72Å; N1712-D1738 PolarHBondContact N-OD1 3.08Å; N1712-Y1739 PolarHBondContact ND2-O 2.74Å; N1712-Y1739 WeakPolarHBondContact O-CB 3.36Å; N1712-Y1739 PolarHBondContact O-N 3.14Å |
| 1713 | H | 94.1 | Very high | 87.5 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 150.7 | 178.1 | 67.7 | 80.4 | 0 | 0 | 0 | 111.9 | R1698 C1699 C1711 W1734 A1736 I1737 F1766 | R1698-H1713 CarbonylContact C-O 3.57Å; R1698-H1713 VanDerWaalsContact CA-O 3.25Å; R1698-H1713 WeakPolarHBondContact CA-O 3.19Å; R1698-H1713 VanDerWaalsContact CB-O 3.27Å; R1698-H1713 WeakPolarHBondContact CB-O 3.43Å; C1699-H1713 PolarHBondContact N-O 3.19Å; C1699-H1713 PolarHBondContact O-N 2.98Å; C1699-H1713 VanDerWaalsContact O-N 3.1Å; C1711-H1713 PolarHBondContact SG-CD2 3.49Å; H1713-W1734 AromaticContact CE1-NE1 3.38Å; H1713-W1734 PolarHBondContact CE1-NE1 3.1Å; H1713-W1734 AromaticContact NE2-CD1 4Å; H1713-W1734 AromaticContact NE2-CE2 3.82Å; H1713-W1734 AromaticContact NE2-NE1 2.98Å; H1713-W1734 PolarHBondContact NE2-NE1 2.96Å; H1713-A1736 HydrophobicContact CB-CB 3.97Å; H1713-A1736 VanDerWaalsContact CD2-CB 3.45Å; H1713-A1736 WeakPolarHBondContact CD2-CB 3.3Å; H1713-A1736 VanDerWaalsContact CG-CB 3.43Å; H1713-I1737 WeakPolarHBondContact CB-O 3.49Å; H1713-F1766 AromaticContact CD2-CE2 4Å |
| 1714 | V | 92.6 | Very high | 87 | Confident | 75 Ų | 75 | 55.1 Ų | 55.1 | 46% | 0.455 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 149.5 | 169 | 174.7 | 0 | 0 | 0 | 0 | 109.7 | V1696 R1698 | V1696-V1714 HydrophobicContact CG1-CB 4.45Å; V1696-V1714 HydrophobicContact CG1-CG1 3.45Å; V1696-V1714 VanDerWaalsContact CG1-CG1 3.45Å; V1696-V1714 HydrophobicContact CG1-CG2 4.17Å; R1698-V1714 HydrophobicContact CB-CG2 4.46Å |
| 1715 | I | 92.4 | Very high | 86.3 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | trans | -91.2 | 107.2 | 166.3 | -60.9 | 179.3 | 0 | 0 | 0 | 107.5 | L1688 I1697 F1783 A1786 V1787 A1790 | L1688-I1715 HydrophobicContact CD2-CD1 3.71Å; I1697-I1715 HydrophobicContact CG2-CD1 4.24Å; I1697-I1715 PolarHBondContact O-N 2.74Å; I1715-F1783 HydrophobicContact CD1-CD2 3.52Å; I1715-F1783 HydrophobicContact CD1-CE2 3.62Å; I1715-F1783 HydrophobicContact CD1-CG 4.05Å; I1715-F1783 HydrophobicContact CD1-CZ 4.2Å; I1715-F1783 HydrophobicContact CG1-CD2 4.36Å; I1715-F1783 HydrophobicContact CG1-CE2 3.96Å; I1715-F1783 HydrophobicContact CG1-CZ 4.21Å; I1715-F1783 HydrophobicContact CG2-CE1 4.29Å; I1715-F1783 HydrophobicContact CG2-CZ 4.39Å; I1715-A1786 HydrophobicContact CB-CB 4.3Å; I1715-A1786 HydrophobicContact CD1-CB 3.92Å; I1715-A1786 HydrophobicContact CG2-CB 3.96Å; I1715-V1787 HydrophobicContact CG2-CB 4.36Å; I1715-V1787 HydrophobicContact CG2-CG2 3.48Å; I1715-V1787 VanDerWaalsContact CG2-CG2 3.48Å; I1715-A1790 WeakPolarHBondContact O-CB 3.22Å | ||
| 1716 | G | 86.9 | Confident | 85.7 | Confident | 25 Ų | 25 | 58.8 Ų | 58.8 | 26% | 0.258 | 33% | 0.333 | S | S | . | . | trans | -106.8 | 173.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1719 | G1716-M1719 PolarHBondContact N-SD 3.15Å; G1716-M1719 WeakPolarHBondContact O-CG 3.29Å; G1716-M1719 PolarHBondContact O-N 2.87Å | ||
| 1717 | A | 81.4 | Confident | 84.6 | Confident | 37 Ų | 37 | 55.2 Ų | 55.2 | 31% | 0.306 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 141 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | M1719 E1791 | A1717-M1719 VanDerWaalsContact C-N 3.3Å; A1717-M1719 PolarHBondContact O-N 3.07Å; A1717-E1791 HydrophobicContact CB-CG 3.6Å |
| 1718 | G | 81.7 | Confident | 84.3 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 39% | 0.392 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | -2.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | H1720 E1791 | G1718-H1720 PolarHBondContact O-ND1 2.83Å; G1718-E1791 PolarHBondContact N-OE1 3.49Å |
| 1719 | M | 90 | Very high | 83.9 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.059 | 30% | 0.304 | C | S | . | . | trans | -70.9 | 140.9 | 169.8 | -65.7 | 177.2 | 74.6 | 0 | 0 | 110.1 | G1716 A1717 W1735 A1736 F1783 V1787 | G1716-M1719 PolarHBondContact N-SD 3.15Å; G1716-M1719 WeakPolarHBondContact O-CG 3.29Å; G1716-M1719 PolarHBondContact O-N 2.87Å; A1717-M1719 VanDerWaalsContact C-N 3.3Å; A1717-M1719 PolarHBondContact O-N 3.07Å; M1719-W1735 WeakPolarHBondContact CE-O 3.41Å; M1719-W1735 HydrophobicContact CG-CH2 4.35Å; M1719-W1735 HydrophobicContact CG-CZ2 4.13Å; M1719-A1736 HydrophobicContact CE-CB 3.69Å; M1719-F1783 HydrophobicContact CB-CE1 4.32Å; M1719-F1783 HydrophobicContact CE-CZ 4.08Å; M1719-V1787 HydrophobicContact CB-CG2 4.07Å; M1719-V1787 WeakPolarHBondContact O-CG1 3.41Å; M1719-V1787 VanDerWaalsContact O-CG2 3.3Å; M1719-V1787 WeakPolarHBondContact O-CG2 3.24Å | ||
| 1720 | H | 85.1 | Confident | 84 | Confident | 88 Ų | 88 | 49.7 Ų | 49.7 | 41% | 0.407 | 31% | 0.307 | S | S | . | . | trans | -147.7 | 143.4 | -176.3 | 55.7 | -89.9 | 0 | 0 | 0 | 112 | G1718 K1722 W1734 | G1718-H1720 PolarHBondContact O-ND1 2.83Å; H1720-K1722 WeakPolarHBondContact NE2-CE 3.29Å; H1720-W1734 WeakPolarHBondContact O-CB 3.44Å | ||
| 1721 | L | 91.4 | Very high | 84 | Confident | 14 Ų | 14 | 49.9 Ų | 49.9 | 7% | 0.073 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -87.8 | 125 | 176.1 | -62.8 | -178.9 | 0 | 0 | 0 | 110.5 | W1732 W1734 F1779 R1780 F1783 | L1721-W1732 HydrophobicContact CB-CB 4.4Å; L1721-W1732 HydrophobicContact CB-CD2 4.46Å; L1721-W1732 HydrophobicContact CB-CE3 3.95Å; L1721-W1732 HydrophobicContact CD1-CB 4.43Å; L1721-W1732 HydrophobicContact CD1-CG 4.39Å; L1721-W1732 HydrophobicContact CD2-CB 4.22Å; L1721-W1734 HydrophobicContact CD2-CB 4Å; L1721-W1734 HydrophobicContact CD2-CD2 3.95Å; L1721-W1734 HydrophobicContact CD2-CE3 3.57Å; L1721-W1734 HydrophobicContact CD2-CG 4.15Å; L1721-W1734 HydrophobicContact CD2-CZ3 4.36Å; L1721-F1779 HydrophobicContact CD1-CD1 4.28Å; L1721-F1779 HydrophobicContact CD1-CE1 4.07Å; L1721-F1779 HydrophobicContact CD2-CE1 4Å; L1721-R1780 HydrophobicContact CD1-CB 4.01Å; L1721-R1780 HydrophobicContact CD1-CG 3.72Å; L1721-F1783 HydrophobicContact CD1-CB 3.84Å; L1721-F1783 HydrophobicContact CD1-CD1 4.1Å; L1721-F1783 HydrophobicContact CD1-CG 4.01Å; L1721-F1783 HydrophobicContact CD2-CD1 3.87Å; L1721-F1783 HydrophobicContact CD2-CD2 4.23Å; L1721-F1783 HydrophobicContact CD2-CE1 3.95Å; L1721-F1783 HydrophobicContact CD2-CE2 4.3Å; L1721-F1783 HydrophobicContact CD2-CG 4.02Å; L1721-F1783 HydrophobicContact CD2-CZ 4.16Å; L1721-F1783 HydrophobicContact CG-CB 4.42Å; L1721-F1783 HydrophobicContact CG-CD1 3.73Å; L1721-F1783 HydrophobicContact CG-CE1 4.16Å; L1721-F1783 HydrophobicContact CG-CG 4.07Å |
| 1722 | K | 88.5 | Confident | 84 | Confident | 120 Ų | 120 | 50.6 Ų | 50.6 | 52% | 0.522 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 134 | 168.8 | -63.6 | -175.9 | -177.5 | 177.3 | 0 | 110.2 | H1720 W1732 S1733 | H1720-K1722 WeakPolarHBondContact NE2-CE 3.29Å; K1722-W1732 CarbonylContact O-C 3.52Å; K1722-W1732 WeakPolarHBondContact O-CA 3.49Å; K1722-S1733 PolarHBondContact N-O 3Å; K1722-S1733 PolarHBondContact O-N 2.65Å; K1722-S1733 PolarHBondContact O-OG 2.84Å |
| 1723 | P | 86.3 | Confident | 83.9 | Confident | 86 Ų | 86 | 49.6 Ų | 49.6 | 56% | 0.558 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 139.2 | 175 | 28.1 | -31.3 | 0 | 0 | 0 | 110.7 | W1732 | P1723-W1732 HydrophobicContact CB-CE3 4.04Å; P1723-W1732 HydrophobicContact CB-CH2 3.99Å; P1723-W1732 HydrophobicContact CB-CZ3 3.54Å; P1723-W1732 HydrophobicContact CG-CZ3 4.07Å |
| 1724 | M | 79.9 | Confident | 84 | Confident | 35 Ų | 35 | 49.8 Ų | 49.8 | 17% | 0.172 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -93 | 124.6 | 174.8 | -64.9 | -172.1 | 78.8 | 0 | 0 | 112.5 | W1678 T1726 G1727 A1731 A1767 | W1678-M1724 HydrophobicContact CD2-CE 4.06Å; W1678-M1724 HydrophobicContact CG-CE 4.16Å; W1678-M1724 HydrophobicContact CZ2-CE 4.05Å; W1678-M1724 VanDerWaalsContact NE1-CE 3.32Å; M1724-T1726 PolarHBondContact O-N 2.88Å; M1724-T1726 VanDerWaalsContact O-N 3.15Å; M1724-G1727 PolarHBondContact O-N 3.29Å; M1724-A1731 HydrophobicContact CB-CB 4.15Å; M1724-A1731 HydrophobicContact CG-CB 4.43Å; M1724-A1731 PolarHBondContact N-O 3.43Å; M1724-A1731 HydrophobicContact SD-CB 4.23Å; M1724-A1767 HydrophobicContact CE-CB 4.44Å; M1724-A1767 HydrophobicContact SD-CB 3.41Å; M1724-A1767 WeakPolarHBondContact SD-CB 3.23Å |
| 1725 | N | 70.6 | Confident | 84 | Confident | 168 Ų | 168 | 50.5 Ų | 50.5 | 90% | 0.898 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -52 | -39 | 176.4 | -62.5 | -4 | 0 | 0 | 0 | 112.8 | G1727 | N1725-G1727 VanDerWaalsContact C-N 3.27Å; N1725-G1727 PolarHBondContact O-N 3.19Å |
| 1726 | T | 65.1 | Low | 83.9 | Confident | 123 Ų | 123 | 50.4 Ų | 50.4 | 76% | 0.755 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -75.2 | -10.3 | -179.2 | -18.4 | 0 | 0 | 0 | 0 | 114.1 | M1724 | M1724-T1726 PolarHBondContact O-N 2.88Å; M1724-T1726 VanDerWaalsContact O-N 3.15Å |
| 1727 | G | 57.1 | Low | 84 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -83.3 | -25.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | M1724 N1725 | M1724-G1727 PolarHBondContact O-N 3.29Å; N1725-G1727 VanDerWaalsContact C-N 3.27Å; N1725-G1727 PolarHBondContact O-N 3.19Å |
| 1728 | G | 71.9 | Confident | 84.4 | Confident | 59 Ų | 59 | 49.7 Ų | 49.7 | 61% | 0.608 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 50.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1730 | G1728-R1730 PolarHBondContact O-N 3.1Å; G1728-R1730 VanDerWaalsContact O-N 3.11Å |
| 1729 | G | 78.7 | Confident | 84.7 | Confident | 44 Ų | 44 | 53.2 Ų | 53.2 | 45% | 0.454 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | -19 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | A1731 | G1729-A1731 PolarHBondContact O-N 3.41Š|
| 1730 | R | 89.9 | Confident | 84.4 | Confident | 75 Ų | 75 | 53.7 Ų | 53.7 | 28% | 0.283 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -91.6 | 13.2 | -172.1 | -62.6 | 179.1 | -67.7 | 144.9 | 1.9 | 115.7 | G1728 R1769 F1770 K1771 T1773 | G1728-R1730 PolarHBondContact O-N 3.1Å; G1728-R1730 VanDerWaalsContact O-N 3.11Å; R1730-R1769 WeakPolarHBondContact O-CA 3.41Å; R1730-F1770 PolarHBondContact O-N 2.99Å; R1730-K1771 WeakPolarHBondContact CD-O 3.39Å; R1730-K1771 PolarHBondContact NH1-O 2.68Å; R1730-T1773 HydrophobicContact CG-CG2 4.21Å; R1730-T1773 WeakPolarHBondContact CG-OG1 3.05Å |
| 1731 | A | 92 | Very high | 83.8 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 132.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1724 G1729 A1768 R1769 | M1724-A1731 HydrophobicContact CB-CB 4.15Å; M1724-A1731 HydrophobicContact CG-CB 4.43Å; M1724-A1731 PolarHBondContact N-O 3.43Å; M1724-A1731 HydrophobicContact SD-CB 4.23Å; G1729-A1731 PolarHBondContact O-N 3.41Å; A1731-A1768 VanDerWaalsContact CA-O 3.25Å; A1731-A1768 WeakPolarHBondContact CA-O 3.29Å; A1731-R1769 HydrophobicContact CB-CB 3.99Å; A1731-R1769 HydrophobicContact CB-CG 4.1Å |
| 1732 | W | 93.9 | Very high | 82 | Confident | 15 Ų | 15 | 60 Ų | 60 | 6% | 0.057 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141.5 | -177 | -62.1 | 106.1 | 0 | 0 | 0 | 110.1 | L1721 K1722 P1723 A1767 A1768 S1776 R1780 | L1721-W1732 HydrophobicContact CB-CB 4.4Å; L1721-W1732 HydrophobicContact CB-CD2 4.46Å; L1721-W1732 HydrophobicContact CB-CE3 3.95Å; L1721-W1732 HydrophobicContact CD1-CB 4.43Å; L1721-W1732 HydrophobicContact CD1-CG 4.39Å; L1721-W1732 HydrophobicContact CD2-CB 4.22Å; K1722-W1732 CarbonylContact O-C 3.52Å; K1722-W1732 WeakPolarHBondContact O-CA 3.49Å; P1723-W1732 HydrophobicContact CB-CE3 4.04Å; P1723-W1732 HydrophobicContact CB-CH2 3.99Å; P1723-W1732 HydrophobicContact CB-CZ3 3.54Å; P1723-W1732 HydrophobicContact CG-CZ3 4.07Å; W1732-A1767 CarbonylContact O-C 3.59Å; W1732-A1767 WeakPolarHBondContact O-CA 3.36Å; W1732-A1768 PolarHBondContact N-O 2.9Å; W1732-A1768 PolarHBondContact O-N 2.92Å; W1732-S1776 PolarHBondContact NE1-O 3.39Å; W1732-R1780 HydrophobicContact CD2-CG 4.41Å; W1732-R1780 HydrophobicContact CH2-CG 4.35Å; W1732-R1780 HydrophobicContact CZ2-CB 4.34Å; W1732-R1780 HydrophobicContact CZ2-CG 4.12Å |
| 1733 | S | 93.4 | Very high | 79.9 | Confident | 17 Ų | 17 | 58.4 Ų | 58.4 | 12% | 0.119 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 139.9 | 178.3 | 60.2 | 0 | 0 | 0 | 0 | 112.6 | K1722 F1766 | K1722-S1733 PolarHBondContact N-O 3Å; K1722-S1733 PolarHBondContact O-N 2.65Å; K1722-S1733 PolarHBondContact O-OG 2.84Å; S1733-F1766 CarbonylContact C-O 3.21Å; S1733-F1766 WeakPolarHBondContact CA-O 3.36Å; S1733-F1766 VanDerWaalsContact CB-O 3.3Å; S1733-F1766 WeakPolarHBondContact CB-O 3.38Å |
| 1734 | W | 94.9 | Very high | 77.8 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 2% | 0.019 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 164 | -179.4 | 66.3 | 98.3 | 0 | 0 | 0 | 111.4 | L1670 L1686 H1713 H1720 L1721 T1765 F1766 A1768 F1779 F1783 | L1670-W1734 HydrophobicContact CD1-CH2 4.3Å; L1686-W1734 HydrophobicContact CD1-CH2 4.26Å; H1713-W1734 AromaticContact CE1-NE1 3.38Å; H1713-W1734 PolarHBondContact CE1-NE1 3.1Å; H1713-W1734 AromaticContact NE2-CD1 4Å; H1713-W1734 AromaticContact NE2-CE2 3.82Å; H1713-W1734 AromaticContact NE2-NE1 2.98Å; H1713-W1734 PolarHBondContact NE2-NE1 2.96Å; H1720-W1734 WeakPolarHBondContact O-CB 3.44Å; L1721-W1734 HydrophobicContact CD2-CB 4Å; L1721-W1734 HydrophobicContact CD2-CD2 3.95Å; L1721-W1734 HydrophobicContact CD2-CE3 3.57Å; L1721-W1734 HydrophobicContact CD2-CG 4.15Å; L1721-W1734 HydrophobicContact CD2-CZ3 4.36Å; W1734-T1765 CarbonylContact O-C 3.6Å; W1734-T1765 WeakPolarHBondContact O-CA 3.33Å; W1734-T1765 WeakPolarHBondContact O-CG2 3.4Å; W1734-F1766 HydrophobicContact CD2-CB 4.23Å; W1734-F1766 HydrophobicContact CH2-CB 4.29Å; W1734-F1766 HydrophobicContact CZ2-CB 3.91Å; W1734-F1766 HydrophobicContact CZ2-CG 4.5Å; W1734-F1766 PolarHBondContact N-O 2.93Å; W1734-F1766 AromaticContact NE1-CD2 3.99Å; W1734-F1766 PolarHBondContact O-N 3.15Å; W1734-A1768 HydrophobicContact CH2-CB 3.73Å; W1734-A1768 HydrophobicContact CZ3-CB 3.78Å; W1734-F1779 HydrophobicContact CE3-CE1 4.48Å; W1734-F1779 HydrophobicContact CH2-CE1 4.25Å; W1734-F1779 AromaticContact CH2-CZ 3.88Å; W1734-F1779 HydrophobicContact CH2-CZ 3.88Å; W1734-F1779 HydrophobicContact CZ2-CZ 4.43Å; W1734-F1779 AromaticContact CZ3-CE1 3.9Å; W1734-F1779 HydrophobicContact CZ3-CE1 3.9Å; W1734-F1779 AromaticContact CZ3-CZ 3.99Å; W1734-F1779 HydrophobicContact CZ3-CZ 3.99Å; W1734-F1783 AromaticContact CD1-CZ 3.85Å; W1734-F1783 HydrophobicContact CD2-CE2 4.39Å; W1734-F1783 HydrophobicContact CD2-CZ 4.41Å; W1734-F1783 HydrophobicContact CG-CE2 4.46Å; W1734-F1783 HydrophobicContact CG-CZ 4.03Å |
| 1735 | W | 92.8 | Very high | 75.8 | Confident | 90 Ų | 90 | 67.2 Ų | 67.2 | 34% | 0.341 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 150.9 | 170.6 | 71.8 | -90 | 0 | 0 | 0 | 110.4 | M1719 E1764 | M1719-W1735 WeakPolarHBondContact CE-O 3.41Å; M1719-W1735 HydrophobicContact CG-CH2 4.35Å; M1719-W1735 HydrophobicContact CG-CZ2 4.13Å; W1735-E1764 CarbonylContact C-O 3.57Å; W1735-E1764 WeakPolarHBondContact CA-O 3.42Å |
| 1736 | A | 91.4 | Very high | 74.2 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 167 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | H1713 M1719 R1763 E1764 F1766 | H1713-A1736 HydrophobicContact CB-CB 3.97Å; H1713-A1736 VanDerWaalsContact CD2-CB 3.45Å; H1713-A1736 WeakPolarHBondContact CD2-CB 3.3Å; H1713-A1736 VanDerWaalsContact CG-CB 3.43Å; M1719-A1736 HydrophobicContact CE-CB 3.69Å; A1736-R1763 CarbonylContact O-C 3.07Å; A1736-R1763 WeakPolarHBondContact O-CA 3.43Å; A1736-E1764 PolarHBondContact N-O 2.98Å; A1736-E1764 PolarHBondContact O-N 3.17Å; A1736-F1766 HydrophobicContact CB-CD2 4.28Å; A1736-F1766 HydrophobicContact CB-CE2 4.23Å |
| 1737 | I | 89.2 | Confident | 72.7 | Confident | 46 Ų | 46 | 62.8 Ų | 62.8 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 105.7 | 162.5 | -59.4 | 175 | 0 | 0 | 0 | 106.7 | H1713 Y1739 L1757 R1762 | H1713-I1737 WeakPolarHBondContact CB-O 3.49Å; I1737-Y1739 HydrophobicContact CB-CE2 4.46Å; I1737-Y1739 HydrophobicContact CG2-CE2 3.9Å; I1737-Y1739 WeakPolarHBondContact O-CD2 3.36Å; I1737-Y1739 WeakPolarHBondContact O-CE2 3.43Å; I1737-L1757 HydrophobicContact CD1-CD1 4.15Å; I1737-R1762 CarbonylContact C-O 3.41Å; I1737-R1762 WeakPolarHBondContact CA-O 3.43Å |
| 1738 | D | 89.8 | Confident | 71.5 | Confident | 2 Ų | 2 | 72.1 Ų | 72.1 | 1% | 0.011 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 141.7 | -173.8 | -171.6 | 65.6 | 0 | 0 | 0 | 112.9 | C1711 N1712 S1740 G1761 R1762 E1764 F1766 | C1711-D1738 WeakPolarHBondContact CA-OD1 3.39Å; N1712-D1738 PolarHBondContact N-OD1 3.08Å; D1738-S1740 WeakPolarHBondContact OD2-CA 3.21Å; D1738-S1740 WeakPolarHBondContact OD2-CB 3.47Å; D1738-S1740 PolarHBondContact OD2-N 3.37Å; D1738-S1740 PolarHBondContact OD2-OG 2.76Å; D1738-G1761 CarbonylContact O-C 3.44Å; D1738-G1761 WeakPolarHBondContact O-CA 3.33Å; D1738-R1762 PolarHBondContact N-O 2.95Å; D1738-R1762 PolarHBondContact O-N 3.04Å; D1738-E1764 HydrophobicContact CB-CB 4.4Å; D1738-E1764 HydrophobicContact CB-CG 4.26Å; D1738-F1766 HydrophobicContact CB-CE2 3.91Å; D1738-F1766 HydrophobicContact CB-CZ 3.78Å |
| 1739 | Y | 88 | Confident | 69.7 | Low | 112 Ų | 112 | 74.5 Ų | 74.5 | 44% | 0.439 | 38% | 0.384 | S | S | . | . | trans | -122.6 | 31.5 | 178.8 | -57.5 | -98.4 | 0 | 0 | 0 | 110.9 | N1712 I1737 | N1712-Y1739 PolarHBondContact ND2-O 2.74Å; N1712-Y1739 WeakPolarHBondContact O-CB 3.36Å; N1712-Y1739 PolarHBondContact O-N 3.14Å; I1737-Y1739 HydrophobicContact CB-CE2 4.46Å; I1737-Y1739 HydrophobicContact CG2-CE2 3.9Å; I1737-Y1739 WeakPolarHBondContact O-CD2 3.36Å; I1737-Y1739 WeakPolarHBondContact O-CE2 3.43Å | ||
| 1740 | S | 82.4 | Confident | 67.3 | Low | 22 Ų | 22 | 78.7 Ų | 78.7 | 15% | 0.154 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -83.4 | -15 | 175.6 | 74.9 | 0 | 0 | 0 | 0 | 113.9 | R1681 D1738 | R1681-S1740 PolarHBondContact NH2-OG 3.38Å; D1738-S1740 WeakPolarHBondContact OD2-CA 3.21Å; D1738-S1740 WeakPolarHBondContact OD2-CB 3.47Å; D1738-S1740 PolarHBondContact OD2-N 3.37Å; D1738-S1740 PolarHBondContact OD2-OG 2.76Å |
| 1741 | E | 72.9 | Confident | 64.4 | Low | 59 Ų | 59 | 84.2 Ų | 84.2 | 28% | 0.276 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -124.9 | 131.9 | 177.9 | -71.4 | 171.9 | 168.4 | 0 | 0 | 109.9 | R1672 R1681 R1762 | R1672-E1741 IonicContact CZ-OE2 3.47Å; R1672-E1741 IonicContact NH1-OE1 2.71Å; R1672-E1741 IonicContact NH1-OE2 3.19Å; R1672-E1741 PolarHBondContact NH1-OE2 3.06Å; R1672-E1741 IonicContact NH2-OE1 3.54Å; R1672-E1741 IonicContact NH2-OE2 3.88Å; R1672-E1741 PolarHBondContact NH2-OE2 3.08Å; R1672-E1741 VanDerWaalsContact NH2-OE2 3.13Å; R1681-E1741 IonicContact CZ-OE1 2.65Å; R1681-E1741 IonicContact NH1-OE1 3.95Å; R1681-E1741 PolarHBondContact NH1-OE1 2.89Å; R1681-E1741 VanDerWaalsContact NH2-CD 3.26Å; R1681-E1741 IonicContact NH2-OE1 2.63Å; R1681-E1741 PolarHBondContact NH2-OE1 3.35Å; E1741-R1762 IonicContact OE2-CZ 3.36Å; E1741-R1762 IonicContact OE2-NE 2.68Å; E1741-R1762 IonicContact OE2-NH2 3.42Å; E1741-R1762 PolarHBondContact OE2-NH2 2.97Å |
| 1742 | Q | 53.1 | Low | 61.5 | Low | 176 Ų | 176 | 90.3 Ų | 90.3 | 82% | 0.822 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 141 | 169.8 | -70.5 | 178.4 | -19.3 | 0 | 0 | 109 | D1744 | Q1742-D1744 PolarHBondContact O-N 2.97Š|
| 1743 | P | 45.1 | Very low | 58.7 | Low | 86 Ų | 86 | 96.4 Ų | 96.4 | 56% | 0.558 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 121.8 | -180 | 26.8 | -33.2 | 0 | 0 | 0 | 111.3 | ||
| 1744 | D | 41.6 | Very low | 55.8 | Low | 113 Ų | 113 | 100.8 Ų | 100.8 | 60% | 0.604 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 129.5 | 176.7 | -58.3 | -74.3 | 0 | 0 | 0 | 111.4 | Q1742 A1746 N1747 | Q1742-D1744 PolarHBondContact O-N 2.97Å; D1744-A1746 PolarHBondContact O-N 3.38Å; D1744-N1747 PolarHBondContact O-N 3.46Å |
| 1745 | E | 37.4 | Very low | 53 | Low | 192 Ų | 192 | 105.3 Ų | 105.3 | 90% | 0.897 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -62.1 | -14.3 | -175.5 | -66.9 | -167.5 | 132.8 | 0 | 0 | 114.7 | ||
| 1746 | A | 37.5 | Very low | 50.2 | Low | 53 Ų | 53 | 107.6 Ų | 107.6 | 44% | 0.438 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -74.9 | -30.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1744 K1748 | D1744-A1746 PolarHBondContact O-N 3.38Å; A1746-K1748 VanDerWaalsContact C-N 3.31Å; A1746-K1748 PolarHBondContact O-N 3.1Å |
| 1747 | N | 33.3 | Very low | 47.4 | Very low | 145 Ų | 145 | 112.9 Ų | 112.9 | 78% | 0.775 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -91.1 | 28.7 | -171 | -82.1 | 14.2 | 0 | 0 | 0 | 114.3 | D1744 T1749 | D1744-N1747 PolarHBondContact O-N 3.46Å; N1747-T1749 PolarHBondContact O-N 3.25Å; N1747-T1749 VanDerWaalsContact O-N 3.16Å |
| 1748 | K | 33.5 | Very low | 44.8 | Very low | 198 Ų | 198 | 118 Ų | 118 | 86% | 0.861 | 64% | 0.643 | S | S | * | * | trans | -80.4 | 13.1 | -176.8 | -135.2 | 176 | -171.3 | 175.2 | 0 | 115 | A1746 | A1746-K1748 VanDerWaalsContact C-N 3.31Å; A1746-K1748 PolarHBondContact O-N 3.1Å | ||
| 1749 | T | 32.5 | Very low | 42.2 | Very low | 110 Ų | 110 | 120.5 Ų | 120.5 | 68% | 0.675 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -137.5 | 133.5 | 177.5 | 48.7 | 0 | 0 | 0 | 0 | 109.8 | N1747 | N1747-T1749 PolarHBondContact O-N 3.25Å; N1747-T1749 VanDerWaalsContact O-N 3.16Å |
| 1750 | T | 29.9 | Very low | 40.2 | Very low | 132 Ų | 132 | 117.2 Ų | 117.2 | 81% | 0.81 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 87.4 | 37.5 | 171.5 | 69.3 | 0 | 0 | 0 | 0 | 120.2 | ||
| 1751 | E | 28.3 | Very low | 39.5 | Very low | 191 Ų | 191 | 116.9 Ų | 116.9 | 89% | 0.893 | 67% | 0.669 | S | S | * | * | trans | -131 | 81.4 | 148.8 | -75 | -169.5 | 177 | 0 | 0 | 111 | D1753 | E1751-D1753 PolarHBondContact O-N 2.99Š| ||
| 1752 | T | 31.4 | Very low | 39.8 | Very low | 132 Ų | 132 | 118.8 Ų | 118.8 | 81% | 0.81 | 67% | 0.674 | S | S | * | * | trans | -79.3 | 96.7 | 161.3 | 45.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1753 | D | 34.4 | Very low | 41.2 | Very low | 144 Ų | 144 | 119.4 Ų | 119.4 | 77% | 0.77 | 67% | 0.669 | S | S | * | * | trans | 171.4 | 54.1 | 142.5 | -83.5 | -16.1 | 0 | 0 | 0 | 112.4 | E1751 | E1751-D1753 PolarHBondContact O-N 2.99Š| ||
| 1754 | S | 32.9 | Very low | 43.3 | Very low | 109 Ų | 109 | 116.1 Ų | 116.1 | 76% | 0.762 | 65% | 0.646 | S | S | * | * | trans | -150.9 | 105.5 | 154.4 | 71.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1755 | S | 35.6 | Very low | 45.7 | Very low | 100 Ų | 100 | 113.2 Ų | 113.2 | 70% | 0.699 | 63% | 0.632 | S | S | * | * | trans | -64.1 | 130.5 | -179.4 | 154.5 | 0 | 0 | 0 | 0 | 112.4 | L1757 | S1755-L1757 PolarHBondContact O-N 2.95Š| ||
| 1756 | D | 33.6 | Very low | 48.5 | Very low | 138 Ų | 138 | 104 Ų | 104 | 74% | 0.738 | 59% | 0.59 | S | S | * | * | trans | 52.5 | 56.7 | 146 | -50.3 | -50.9 | 0 | 0 | 0 | 119 | V1758 | D1756-V1758 PolarHBondContact O-N 3.48Š| ||
| 1757 | L | 33.8 | Very low | 51.1 | Low | 110 Ų | 110 | 101.6 Ų | 101.6 | 58% | 0.576 | 57% | 0.569 | S | S | * | * | trans | -91.4 | 85.7 | 157.3 | -75.1 | 175.2 | 0 | 0 | 0 | 111.5 | I1737 S1755 G1759 | I1737-L1757 HydrophobicContact CD1-CD1 4.15Å; S1755-L1757 PolarHBondContact O-N 2.95Å; L1757-G1759 PolarHBondContact O-N 3.38Å | ||
| 1758 | V | 33 | Very low | 54.1 | Low | 153 Ų | 153 | 94.7 Ų | 94.7 | 93% | 0.927 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 93.8 | 167.7 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | D1756 | D1756-V1758 PolarHBondContact O-N 3.48Š|
| 1759 | G | 36.7 | Very low | 56.9 | Low | 55 Ų | 55 | 89.6 Ų | 89.6 | 57% | 0.567 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 159.7 | -12.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | L1757 G1761 | L1757-G1759 PolarHBondContact O-N 3.38Å; G1759-G1761 PolarHBondContact O-N 3.36Å |
| 1760 | G | 45.3 | Very low | 59.9 | Low | 43 Ų | 43 | 84.5 Ų | 84.5 | 44% | 0.443 | 48% | 0.476 | S | S | . | . | trans | 72.2 | 11 | 165.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1761 | G | 68.8 | Low | 62.9 | Low | 15 Ų | 15 | 86.3 Ų | 86.3 | 16% | 0.155 | 47% | 0.473 | C | S | . | . | trans | -82.8 | 150.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1738 G1759 | D1738-G1761 CarbonylContact O-C 3.44Å; D1738-G1761 WeakPolarHBondContact O-CA 3.33Å; G1759-G1761 PolarHBondContact O-N 3.36Å | ||
| 1762 | R | 78.3 | Confident | 65.8 | Low | 99 Ų | 99 | 81.2 Ų | 81.2 | 37% | 0.374 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 135.5 | 179 | -69.9 | -158 | -91 | -124.1 | 5 | 111.3 | I1737 D1738 E1741 E1764 | I1737-R1762 CarbonylContact C-O 3.41Å; I1737-R1762 WeakPolarHBondContact CA-O 3.43Å; D1738-R1762 PolarHBondContact N-O 2.95Å; D1738-R1762 PolarHBondContact O-N 3.04Å; E1741-R1762 IonicContact OE2-CZ 3.36Å; E1741-R1762 IonicContact OE2-NE 2.68Å; E1741-R1762 IonicContact OE2-NH2 3.42Å; E1741-R1762 PolarHBondContact OE2-NH2 2.97Å; R1762-E1764 HydrophobicContact CB-CG 4.28Å; R1762-E1764 PolarHBondContact O-N 3.42Å |
| 1763 | R | 82.5 | Confident | 68.4 | Low | 189 Ų | 189 | 78 Ų | 78 | 71% | 0.713 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 114.2 | 172.7 | -176.5 | -175.8 | -72.7 | -179.4 | -1.6 | 109.2 | A1736 | A1736-R1763 CarbonylContact O-C 3.07Å; A1736-R1763 WeakPolarHBondContact O-CA 3.43Å |
| 1764 | E | 88.3 | Confident | 71.1 | Confident | 18 Ų | 18 | 78.2 Ų | 78.2 | 8% | 0.084 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 154.8 | -177.8 | -62.7 | -168.4 | 176.4 | 0 | 0 | 111.4 | R1672 W1735 A1736 D1738 R1762 F1766 | R1672-E1764 IonicContact CZ-OE1 3.09Å; R1672-E1764 IonicContact CZ-OE2 3.05Å; R1672-E1764 IonicContact NE-OE1 3.18Å; R1672-E1764 PolarHBondContact NE-OE1 3.21Å; R1672-E1764 IonicContact NE-OE2 2.67Å; R1672-E1764 PolarHBondContact NE-OE2 3.18Å; R1672-E1764 IonicContact NH1-OE1 3.8Å; R1672-E1764 IonicContact NH2-OE1 3.67Å; R1672-E1764 PolarHBondContact NH2-OE1 3.36Å; R1672-E1764 IonicContact NH2-OE2 2.88Å; R1672-E1764 PolarHBondContact NH2-OE2 3.25Å; W1735-E1764 CarbonylContact C-O 3.57Å; W1735-E1764 WeakPolarHBondContact CA-O 3.42Å; A1736-E1764 PolarHBondContact N-O 2.98Å; A1736-E1764 PolarHBondContact O-N 3.17Å; D1738-E1764 HydrophobicContact CB-CB 4.4Å; D1738-E1764 HydrophobicContact CB-CG 4.26Å; R1762-E1764 HydrophobicContact CB-CG 4.28Å; R1762-E1764 PolarHBondContact O-N 3.42Å; E1764-F1766 HydrophobicContact CB-CE1 4.43Å; E1764-F1766 HydrophobicContact CB-CE2 4.06Å; E1764-F1766 HydrophobicContact CB-CZ 3.91Å; E1764-F1766 WeakPolarHBondContact OE2-CE1 3.48Å; E1764-F1766 WeakPolarHBondContact OE2-CZ 3.31Å |
| 1765 | T | 92.4 | Very high | 74.1 | Confident | 51 Ų | 51 | 75.1 Ų | 75.1 | 31% | 0.313 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123.3 | 170.7 | -61.3 | 0 | 0 | 0 | 0 | 109.2 | R1672 W1673 W1678 W1734 | R1672-T1765 CarbonylContact C-O 3.57Å; W1673-T1765 HydrophobicContact CB-CG2 4.19Å; W1673-T1765 PolarHBondContact N-O 3.2Å; W1678-T1765 HydrophobicContact CH2-CG2 4.03Å; W1734-T1765 CarbonylContact O-C 3.6Å; W1734-T1765 WeakPolarHBondContact O-CA 3.33Å; W1734-T1765 WeakPolarHBondContact O-CG2 3.4Å |
| 1766 | F | 95.6 | Very high | 76.8 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 158.9 | -175.7 | -68.6 | -62.7 | 0 | 0 | 0 | 111.9 | L1670 Y1671 H1713 S1733 W1734 A1736 D1738 E1764 | L1670-F1766 HydrophobicContact CD1-CB 4.07Å; L1670-F1766 HydrophobicContact CD1-CD1 4.04Å; L1670-F1766 HydrophobicContact CD1-CG 4.28Å; L1670-F1766 HydrophobicContact CD2-CD1 4.13Å; L1670-F1766 HydrophobicContact CD2-CE1 4.3Å; L1670-F1766 HydrophobicContact CG-CD1 4.2Å; Y1671-F1766 CarbonylContact O-C 3.57Å; Y1671-F1766 VanDerWaalsContact O-CA 3.31Å; Y1671-F1766 WeakPolarHBondContact O-CA 3.28Å; H1713-F1766 AromaticContact CD2-CE2 4Å; S1733-F1766 CarbonylContact C-O 3.21Å; S1733-F1766 WeakPolarHBondContact CA-O 3.36Å; S1733-F1766 VanDerWaalsContact CB-O 3.3Å; S1733-F1766 WeakPolarHBondContact CB-O 3.38Å; W1734-F1766 HydrophobicContact CD2-CB 4.23Å; W1734-F1766 HydrophobicContact CH2-CB 4.29Å; W1734-F1766 HydrophobicContact CZ2-CB 3.91Å; W1734-F1766 HydrophobicContact CZ2-CG 4.5Å; W1734-F1766 PolarHBondContact N-O 2.93Å; W1734-F1766 AromaticContact NE1-CD2 3.99Å; W1734-F1766 PolarHBondContact O-N 3.15Å; A1736-F1766 HydrophobicContact CB-CD2 4.28Å; A1736-F1766 HydrophobicContact CB-CE2 4.23Å; D1738-F1766 HydrophobicContact CB-CE2 3.91Å; D1738-F1766 HydrophobicContact CB-CZ 3.78Å; E1764-F1766 HydrophobicContact CB-CE1 4.43Å; E1764-F1766 HydrophobicContact CB-CE2 4.06Å; E1764-F1766 HydrophobicContact CB-CZ 3.91Å; E1764-F1766 WeakPolarHBondContact OE2-CE1 3.48Å; E1764-F1766 WeakPolarHBondContact OE2-CZ 3.31Å |
| 1767 | A | 93.7 | Very high | 79.5 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.008 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 132 | 158 | 0 | 0 | 0 | 0 | 0 | 112 | L1670 Y1671 W1678 M1724 W1732 | L1670-A1767 CarbonylContact C-O 3.56Å; L1670-A1767 WeakPolarHBondContact CA-O 3.3Å; Y1671-A1767 PolarHBondContact N-O 2.95Å; Y1671-A1767 PolarHBondContact O-N 2.71Å; W1678-A1767 HydrophobicContact CE3-CB 4Å; W1678-A1767 HydrophobicContact CH2-CB 3.63Å; W1678-A1767 HydrophobicContact CZ2-CB 4.19Å; W1678-A1767 HydrophobicContact CZ3-CB 3.53Å; M1724-A1767 HydrophobicContact CE-CB 4.44Å; M1724-A1767 HydrophobicContact SD-CB 3.41Å; M1724-A1767 WeakPolarHBondContact SD-CB 3.23Å; W1732-A1767 CarbonylContact O-C 3.59Å; W1732-A1767 WeakPolarHBondContact O-CA 3.36Å |
| 1768 | A | 95.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1670 L1686 A1731 W1732 W1734 F1770 | L1670-A1768 HydrophobicContact CD1-CB 4.35Å; L1686-A1768 HydrophobicContact CD1-CB 3.77Å; A1731-A1768 VanDerWaalsContact CA-O 3.25Å; A1731-A1768 WeakPolarHBondContact CA-O 3.29Å; W1732-A1768 PolarHBondContact N-O 2.9Å; W1732-A1768 PolarHBondContact O-N 2.92Å; W1734-A1768 HydrophobicContact CH2-CB 3.73Å; W1734-A1768 HydrophobicContact CZ3-CB 3.78Å; A1768-F1770 HydrophobicContact CB-CE2 4.07Å; A1768-F1770 HydrophobicContact CB-CZ 4.33Å |
| 1769 | R | 93.7 | Very high | 85.4 | Confident | 92 Ų | 92 | 59.1 Ų | 59.1 | 35% | 0.347 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124 | 174.8 | -175.7 | 177.6 | -167.4 | -179.3 | 9.9 | 110.9 | A1668 K1669 Y1671 R1730 A1731 | A1668-R1769 WeakPolarHBondContact CA-O 3.25Å; K1669-R1769 PolarHBondContact N-O 3.09Å; K1669-R1769 PolarHBondContact O-N 3.12Å; Y1671-R1769 HydrophobicContact CE2-CB 4.3Å; R1730-R1769 WeakPolarHBondContact O-CA 3.41Å; A1731-R1769 HydrophobicContact CB-CB 3.99Å; A1731-R1769 HydrophobicContact CB-CG 4.1Å |
| 1770 | F | 95.5 | Very high | 88.1 | Confident | 3 Ų | 3 | 61 Ų | 61 | 1% | 0.013 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 159 | 179 | -62.2 | -88.6 | 0 | 0 | 0 | 111.8 | F1664 Q1666 A1668 R1730 A1768 H1775 F1779 | F1664-F1770 AromaticContact CE1-CE1 3.74Å; F1664-F1770 HydrophobicContact CE1-CE1 3.74Å; F1664-F1770 AromaticContact CE1-CZ 3.96Å; F1664-F1770 HydrophobicContact CE1-CZ 3.96Å; F1664-F1770 HydrophobicContact CZ-CD1 4.45Å; F1664-F1770 AromaticContact CZ-CE1 3.66Å; F1664-F1770 HydrophobicContact CZ-CE1 3.66Å; F1664-F1770 HydrophobicContact CZ-CZ 4.02Å; Q1666-F1770 HydrophobicContact CB-CD1 4.11Å; Q1666-F1770 HydrophobicContact CB-CE1 4.01Å; A1668-F1770 HydrophobicContact CB-CD1 3.93Å; A1668-F1770 HydrophobicContact CB-CE1 3.71Å; A1668-F1770 HydrophobicContact CB-CZ 4.17Å; R1730-F1770 PolarHBondContact O-N 2.99Å; A1768-F1770 HydrophobicContact CB-CE2 4.07Å; A1768-F1770 HydrophobicContact CB-CZ 4.33Å; F1770-H1775 HydrophobicContact CB-CB 4.22Å; F1770-H1775 HydrophobicContact CD1-CB 4.16Å; F1770-H1775 HydrophobicContact CG-CB 4.38Å; F1770-F1779 HydrophobicContact CE1-CB 4.44Å; F1770-F1779 HydrophobicContact CE2-CB 3.85Å; F1770-F1779 AromaticContact CE2-CD1 3.66Å; F1770-F1779 HydrophobicContact CE2-CD1 3.66Å; F1770-F1779 HydrophobicContact CE2-CE1 4.38Å; F1770-F1779 AromaticContact CE2-CG 3.76Å; F1770-F1779 HydrophobicContact CE2-CG 3.76Å; F1770-F1779 HydrophobicContact CZ-CB 3.68Å; F1770-F1779 AromaticContact CZ-CD1 3.88Å; F1770-F1779 HydrophobicContact CZ-CD1 3.88Å; F1770-F1779 AromaticContact CZ-CD2 3.96Å; F1770-F1779 HydrophobicContact CZ-CD2 3.96Å; F1770-F1779 AromaticContact CZ-CG 3.54Å; F1770-F1779 HydrophobicContact CZ-CG 3.54Å |
| 1771 | K | 90.9 | Very high | 90.4 | Very high | 170 Ų | 170 | 62.3 Ų | 62.3 | 74% | 0.739 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -72.8 | -46.4 | 177.8 | -171.4 | 177.6 | -179.8 | -177.6 | 0 | 111.6 | R1730 | R1730-K1771 WeakPolarHBondContact CD-O 3.39Å; R1730-K1771 PolarHBondContact NH1-O 2.68Å |
| 1772 | L | 89.1 | Confident | 91.6 | Very high | 83 Ų | 83 | 63.3 Ų | 63.3 | 44% | 0.435 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -106.8 | 147.8 | -179.5 | -59.7 | 179.2 | 0 | 0 | 0 | 110.2 | H1775 S1776 | L1772-H1775 PolarHBondContact O-N 3.45Å; L1772-S1776 PolarHBondContact O-N 3.44Å |
| 1773 | T | 87.5 | Confident | 92.4 | Very high | 64 Ų | 64 | 58.6 Ų | 58.6 | 39% | 0.393 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.4 | -36.2 | 178.3 | -40.6 | 0 | 0 | 0 | 0 | 111.9 | R1730 H1775 S1776 D1777 | R1730-T1773 HydrophobicContact CG-CG2 4.21Å; R1730-T1773 WeakPolarHBondContact CG-OG1 3.05Å; T1773-H1775 PolarHBondContact O-N 2.96Å; T1773-S1776 WeakPolarHBondContact CA-OG 3.42Å; T1773-S1776 PolarHBondContact O-N 3.33Å; T1773-S1776 PolarHBondContact O-OG 3.25Å; T1773-D1777 VanDerWaalsContact O-CG 3.26Å; T1773-D1777 PolarHBondContact O-N 3.22Å |
| 1774 | E | 90.9 | Very high | 92.9 | Very high | 149 Ų | 149 | 53.4 Ų | 53.4 | 70% | 0.696 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -52.6 | -43.4 | 173.6 | -64.5 | 168 | -173.7 | 0 | 0 | 111.7 | D1777 E1778 | E1774-D1777 PolarHBondContact O-N 2.92Å; E1774-E1778 VanDerWaalsContact O-CB 3.29Å; E1774-E1778 WeakPolarHBondContact O-CB 3.26Å; E1774-E1778 PolarHBondContact O-N 2.65Å |
| 1775 | H | 95 | Very high | 93.1 | Very high | 44 Ų | 44 | 58 Ų | 58 | 20% | 0.204 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70 | -32.3 | 178.3 | -62.6 | -163.5 | 0 | 0 | 0 | 112.6 | Q1666 F1770 L1772 T1773 F1779 | Q1666-H1775 HydrophobicContact CB-CB 4.31Å; Q1666-H1775 VanDerWaalsContact CD-CE1 3.45Å; Q1666-H1775 VanDerWaalsContact CD-ND1 3.27Å; Q1666-H1775 HydrophobicContact CG-CB 4.06Å; Q1666-H1775 PolarHBondContact OE1-CE1 3.38Å; Q1666-H1775 PolarHBondContact OE1-ND1 3.35Å; F1770-H1775 HydrophobicContact CB-CB 4.22Å; F1770-H1775 HydrophobicContact CD1-CB 4.16Å; F1770-H1775 HydrophobicContact CG-CB 4.38Å; L1772-H1775 PolarHBondContact O-N 3.45Å; T1773-H1775 PolarHBondContact O-N 2.96Å; H1775-F1779 WeakPolarHBondContact O-CB 3.38Å; H1775-F1779 PolarHBondContact O-N 3.27Å |
| 1776 | S | 92.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -76.3 | -28.3 | 175.8 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | W1732 L1772 T1773 R1780 | W1732-S1776 PolarHBondContact NE1-O 3.39Å; L1772-S1776 PolarHBondContact O-N 3.44Å; T1773-S1776 WeakPolarHBondContact CA-OG 3.42Å; T1773-S1776 PolarHBondContact O-N 3.33Å; T1773-S1776 PolarHBondContact O-OG 3.25Å; S1776-R1780 VanDerWaalsContact O-CB 3.3Å; S1776-R1780 WeakPolarHBondContact O-CB 3.4Å; S1776-R1780 PolarHBondContact O-N 2.96Å; S1776-R1780 VanDerWaalsContact O-N 3.12Å |
| 1777 | D | 90.8 | Very high | 92.9 | Very high | 79 Ų | 79 | 56.3 Ų | 56.3 | 42% | 0.422 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -79 | -39.6 | 176.5 | -62.3 | -26.2 | 0 | 0 | 0 | 110.6 | T1773 E1774 R1780 S1781 | T1773-D1777 VanDerWaalsContact O-CG 3.26Å; T1773-D1777 PolarHBondContact O-N 3.22Å; E1774-D1777 PolarHBondContact O-N 2.92Å; D1777-R1780 PolarHBondContact O-N 3.02Å; D1777-S1781 PolarHBondContact O-N 2.98Å |
| 1778 | E | 94.4 | Very high | 92.6 | Very high | 86 Ų | 86 | 57.5 Ų | 57.5 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.4 | -50.6 | 169.6 | -178 | -176.4 | -144.7 | 0 | 0 | 111.4 | F1664 Q1666 E1774 R1780 S1781 L1782 | F1664-E1778 HydrophobicContact CD2-CG 3.88Å; F1664-E1778 HydrophobicContact CE2-CB 4.1Å; F1664-E1778 HydrophobicContact CE2-CG 3.79Å; F1664-E1778 WeakPolarHBondContact CE2-OE2 2.9Å; Q1666-E1778 PolarHBondContact NE2-OE2 2.76Å; Q1666-E1778 VanDerWaalsContact NE2-OE2 3.11Å; E1774-E1778 VanDerWaalsContact O-CB 3.29Å; E1774-E1778 WeakPolarHBondContact O-CB 3.26Å; E1774-E1778 PolarHBondContact O-N 2.65Å; E1778-R1780 VanDerWaalsContact C-N 3.29Å; E1778-R1780 PolarHBondContact O-N 2.68Å; E1778-S1781 PolarHBondContact O-N 3Å; E1778-L1782 HydrophobicContact CG-CD1 4.04Å; E1778-L1782 WeakPolarHBondContact O-CG 3.41Å; E1778-L1782 PolarHBondContact O-N 3.11Å; E1778-L1782 VanDerWaalsContact O-N 3.11Å |
| 1779 | F | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -53.9 | -47.6 | 173.8 | 175.9 | -112.9 | 0 | 0 | 0 | 111.7 | F1664 L1686 L1688 L1721 W1734 F1770 H1775 L1782 F1783 | F1664-F1779 AromaticContact CD1-CD2 3.84Å; F1664-F1779 HydrophobicContact CD1-CD2 3.84Å; F1664-F1779 HydrophobicContact CE1-CB 3.91Å; F1664-F1779 AromaticContact CE1-CD2 3.6Å; F1664-F1779 HydrophobicContact CE1-CD2 3.6Å; F1664-F1779 HydrophobicContact CE1-CG 4.14Å; F1664-F1779 HydrophobicContact CE2-CB 3.9Å; F1664-F1779 HydrophobicContact CZ-CB 3.49Å; F1664-F1779 VanDerWaalsContact CZ-CB 3.49Å; F1664-F1779 HydrophobicContact CZ-CD2 4.11Å; F1664-F1779 HydrophobicContact CZ-CG 4.22Å; L1686-F1779 HydrophobicContact CD2-CD2 3.84Å; L1686-F1779 HydrophobicContact CD2-CE2 3.41Å; L1686-F1779 VanDerWaalsContact CD2-CE2 3.41Å; L1686-F1779 HydrophobicContact CD2-CZ 4.18Å; L1688-F1779 HydrophobicContact CD1-CD2 4.34Å; L1688-F1779 HydrophobicContact CD1-CE2 4.3Å; L1688-F1779 HydrophobicContact CD2-CE2 4.05Å; L1688-F1779 HydrophobicContact CG-CE2 4.28Å; L1721-F1779 HydrophobicContact CD1-CD1 4.28Å; L1721-F1779 HydrophobicContact CD1-CE1 4.07Å; L1721-F1779 HydrophobicContact CD2-CE1 4Å; W1734-F1779 HydrophobicContact CE3-CE1 4.48Å; W1734-F1779 HydrophobicContact CH2-CE1 4.25Å; W1734-F1779 AromaticContact CH2-CZ 3.88Å; W1734-F1779 HydrophobicContact CH2-CZ 3.88Å; W1734-F1779 HydrophobicContact CZ2-CZ 4.43Å; W1734-F1779 AromaticContact CZ3-CE1 3.9Å; W1734-F1779 HydrophobicContact CZ3-CE1 3.9Å; W1734-F1779 AromaticContact CZ3-CZ 3.99Å; W1734-F1779 HydrophobicContact CZ3-CZ 3.99Å; F1770-F1779 HydrophobicContact CE1-CB 4.44Å; F1770-F1779 HydrophobicContact CE2-CB 3.85Å; F1770-F1779 AromaticContact CE2-CD1 3.66Å; F1770-F1779 HydrophobicContact CE2-CD1 3.66Å; F1770-F1779 HydrophobicContact CE2-CE1 4.38Å; F1770-F1779 AromaticContact CE2-CG 3.76Å; F1770-F1779 HydrophobicContact CE2-CG 3.76Å; F1770-F1779 HydrophobicContact CZ-CB 3.68Å; F1770-F1779 AromaticContact CZ-CD1 3.88Å; F1770-F1779 HydrophobicContact CZ-CD1 3.88Å; F1770-F1779 AromaticContact CZ-CD2 3.96Å; F1770-F1779 HydrophobicContact CZ-CD2 3.96Å; F1770-F1779 AromaticContact CZ-CG 3.54Å; F1770-F1779 HydrophobicContact CZ-CG 3.54Å; H1775-F1779 WeakPolarHBondContact O-CB 3.38Å; H1775-F1779 PolarHBondContact O-N 3.27Å; F1779-L1782 PolarHBondContact O-N 3.49Å; F1779-F1783 HydrophobicContact CE1-CD2 4.32Å; F1779-F1783 AromaticContact CE2-CD2 3.97Å; F1779-F1783 HydrophobicContact CE2-CD2 3.97Å; F1779-F1783 HydrophobicContact CZ-CB 4.5Å; F1779-F1783 AromaticContact CZ-CD2 3.59Å; F1779-F1783 HydrophobicContact CZ-CD2 3.59Å; F1779-F1783 HydrophobicContact CZ-CE2 4.2Å; F1779-F1783 HydrophobicContact CZ-CG 4.36Å; F1779-F1783 VanDerWaalsContact O-CB 3.27Å; F1779-F1783 WeakPolarHBondContact O-CB 3.37Å; F1779-F1783 PolarHBondContact O-N 2.76Å |
| 1780 | R | 92.6 | Very high | 91.9 | Very high | 95 Ų | 95 | 57.1 Ų | 57.1 | 36% | 0.358 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.3 | -49.7 | -177.4 | -173.2 | -155.2 | 174.7 | 165.1 | -1.6 | 111.2 | L1721 W1732 S1776 D1777 E1778 L1782 F1783 E1784 | L1721-R1780 HydrophobicContact CD1-CB 4.01Å; L1721-R1780 HydrophobicContact CD1-CG 3.72Å; W1732-R1780 HydrophobicContact CD2-CG 4.41Å; W1732-R1780 HydrophobicContact CH2-CG 4.35Å; W1732-R1780 HydrophobicContact CZ2-CB 4.34Å; W1732-R1780 HydrophobicContact CZ2-CG 4.12Å; S1776-R1780 VanDerWaalsContact O-CB 3.3Å; S1776-R1780 WeakPolarHBondContact O-CB 3.4Å; S1776-R1780 PolarHBondContact O-N 2.96Å; S1776-R1780 VanDerWaalsContact O-N 3.12Å; D1777-R1780 PolarHBondContact O-N 3.02Å; E1778-R1780 VanDerWaalsContact C-N 3.29Å; E1778-R1780 PolarHBondContact O-N 2.68Å; R1780-L1782 VanDerWaalsContact C-N 3.35Å; R1780-L1782 PolarHBondContact O-N 2.84Å; R1780-F1783 PolarHBondContact O-N 3.45Å; R1780-E1784 HydrophobicContact CG-CG 4.45Å; R1780-E1784 IonicContact CZ-OE1 2.93Å; R1780-E1784 VanDerWaalsContact CZ-OE1 3.3Å; R1780-E1784 IonicContact NE-OE1 3.2Å; R1780-E1784 PolarHBondContact NE-OE1 2.83Å; R1780-E1784 IonicContact NE-OE2 2.85Å; R1780-E1784 PolarHBondContact NE-OE2 2.9Å; R1780-E1784 IonicContact NH2-OE1 3.93Å; R1780-E1784 PolarHBondContact NH2-OE1 3.18Å; R1780-E1784 IonicContact NH2-OE2 3.19Å; R1780-E1784 WeakPolarHBondContact O-CB 3.14Å; R1780-E1784 WeakPolarHBondContact O-CG 3.37Å; R1780-E1784 PolarHBondContact O-N 3.22Å |
| 1781 | S | 93.4 | Very high | 91.6 | Very high | 70 Ų | 70 | 58.2 Ų | 58.2 | 49% | 0.49 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.4 | -48.1 | -179.8 | -169 | 0 | 0 | 0 | 0 | 111.4 | D1777 E1778 E1784 E1785 | D1777-S1781 PolarHBondContact O-N 2.98Å; E1778-S1781 PolarHBondContact O-N 3Å; S1781-E1784 PolarHBondContact O-N 2.86Å; S1781-E1785 VanDerWaalsContact O-CB 3.32Å; S1781-E1785 WeakPolarHBondContact O-CB 3.4Å; S1781-E1785 PolarHBondContact O-N 2.92Å |
| 1782 | L | 94.1 | Very high | 91.2 | Very high | 36 Ų | 36 | 53.4 Ų | 53.4 | 19% | 0.188 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.4 | -30.8 | -177.7 | -65.6 | 169 | 0 | 0 | 0 | 112.8 | I1663 F1664 L1688 E1778 F1779 R1780 A1786 | I1663-L1782 HydrophobicContact CG2-CD1 4.16Å; I1663-L1782 HydrophobicContact CG2-CD2 3.85Å; I1663-L1782 HydrophobicContact CG2-CG 4.47Å; F1664-L1782 HydrophobicContact CB-CD1 3.92Å; F1664-L1782 HydrophobicContact CD2-CD1 3.91Å; F1664-L1782 HydrophobicContact CG-CD1 4.34Å; L1688-L1782 HydrophobicContact CD1-CB 3.94Å; E1778-L1782 HydrophobicContact CG-CD1 4.04Å; E1778-L1782 WeakPolarHBondContact O-CG 3.41Å; E1778-L1782 PolarHBondContact O-N 3.11Å; E1778-L1782 VanDerWaalsContact O-N 3.11Å; F1779-L1782 PolarHBondContact O-N 3.49Å; R1780-L1782 VanDerWaalsContact C-N 3.35Å; R1780-L1782 PolarHBondContact O-N 2.84Å; L1782-A1786 VanDerWaalsContact O-CB 3.26Å; L1782-A1786 WeakPolarHBondContact O-CB 2.95Å; L1782-A1786 PolarHBondContact O-N 3.24Å |
| 1783 | F | 95.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71 | -45.1 | 173.7 | -166 | -73.8 | 0 | 0 | 0 | 111.3 | L1688 I1715 M1719 L1721 W1734 F1779 R1780 E1785 A1786 V1787 | L1688-F1783 HydrophobicContact CD1-CB 4.45Å; L1688-F1783 HydrophobicContact CD2-CD2 4.42Å; I1715-F1783 HydrophobicContact CD1-CD2 3.52Å; I1715-F1783 HydrophobicContact CD1-CE2 3.62Å; I1715-F1783 HydrophobicContact CD1-CG 4.05Å; I1715-F1783 HydrophobicContact CD1-CZ 4.2Å; I1715-F1783 HydrophobicContact CG1-CD2 4.36Å; I1715-F1783 HydrophobicContact CG1-CE2 3.96Å; I1715-F1783 HydrophobicContact CG1-CZ 4.21Å; I1715-F1783 HydrophobicContact CG2-CE1 4.29Å; I1715-F1783 HydrophobicContact CG2-CZ 4.39Å; M1719-F1783 HydrophobicContact CB-CE1 4.32Å; M1719-F1783 HydrophobicContact CE-CZ 4.08Å; L1721-F1783 HydrophobicContact CD1-CB 3.84Å; L1721-F1783 HydrophobicContact CD1-CD1 4.1Å; L1721-F1783 HydrophobicContact CD1-CG 4.01Å; L1721-F1783 HydrophobicContact CD2-CD1 3.87Å; L1721-F1783 HydrophobicContact CD2-CD2 4.23Å; L1721-F1783 HydrophobicContact CD2-CE1 3.95Å; L1721-F1783 HydrophobicContact CD2-CE2 4.3Å; L1721-F1783 HydrophobicContact CD2-CG 4.02Å; L1721-F1783 HydrophobicContact CD2-CZ 4.16Å; L1721-F1783 HydrophobicContact CG-CB 4.42Å; L1721-F1783 HydrophobicContact CG-CD1 3.73Å; L1721-F1783 HydrophobicContact CG-CE1 4.16Å; L1721-F1783 HydrophobicContact CG-CG 4.07Å; W1734-F1783 AromaticContact CD1-CZ 3.85Å; W1734-F1783 HydrophobicContact CD2-CE2 4.39Å; W1734-F1783 HydrophobicContact CD2-CZ 4.41Å; W1734-F1783 HydrophobicContact CG-CE2 4.46Å; W1734-F1783 HydrophobicContact CG-CZ 4.03Å; F1779-F1783 HydrophobicContact CE1-CD2 4.32Å; F1779-F1783 AromaticContact CE2-CD2 3.97Å; F1779-F1783 HydrophobicContact CE2-CD2 3.97Å; F1779-F1783 HydrophobicContact CZ-CB 4.5Å; F1779-F1783 AromaticContact CZ-CD2 3.59Å; F1779-F1783 HydrophobicContact CZ-CD2 3.59Å; F1779-F1783 HydrophobicContact CZ-CE2 4.2Å; F1779-F1783 HydrophobicContact CZ-CG 4.36Å; F1779-F1783 VanDerWaalsContact O-CB 3.27Å; F1779-F1783 WeakPolarHBondContact O-CB 3.37Å; F1779-F1783 PolarHBondContact O-N 2.76Å; R1780-F1783 PolarHBondContact O-N 3.45Å; F1783-E1785 VanDerWaalsContact C-N 3.34Å; F1783-A1786 PolarHBondContact O-N 2.88Å; F1783-V1787 HydrophobicContact CD1-CG2 3.88Å; F1783-V1787 HydrophobicContact CE1-CG2 3.77Å; F1783-V1787 WeakPolarHBondContact O-CG2 3.36Å; F1783-V1787 PolarHBondContact O-N 3.29Å |
| 1784 | E | 93.6 | Very high | 89.8 | Confident | 80 Ų | 80 | 52.6 Ų | 52.6 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 176.3 | -71.7 | 176.1 | 173.2 | 0 | 0 | 111.1 | R1780 S1781 V1787 Q1788 | R1780-E1784 HydrophobicContact CG-CG 4.45Å; R1780-E1784 IonicContact CZ-OE1 2.93Å; R1780-E1784 VanDerWaalsContact CZ-OE1 3.3Å; R1780-E1784 IonicContact NE-OE1 3.2Å; R1780-E1784 PolarHBondContact NE-OE1 2.83Å; R1780-E1784 IonicContact NE-OE2 2.85Å; R1780-E1784 PolarHBondContact NE-OE2 2.9Å; R1780-E1784 IonicContact NH2-OE1 3.93Å; R1780-E1784 PolarHBondContact NH2-OE1 3.18Å; R1780-E1784 IonicContact NH2-OE2 3.19Å; R1780-E1784 WeakPolarHBondContact O-CB 3.14Å; R1780-E1784 WeakPolarHBondContact O-CG 3.37Å; R1780-E1784 PolarHBondContact O-N 3.22Å; S1781-E1784 PolarHBondContact O-N 2.86Å; E1784-V1787 PolarHBondContact O-N 3.47Å; E1784-Q1788 VanDerWaalsContact O-CB 3.31Å; E1784-Q1788 WeakPolarHBondContact O-CB 3.25Å; E1784-Q1788 PolarHBondContact O-N 3.41Å |
| 1785 | E | 91.6 | Very high | 88.8 | Confident | 116 Ų | 116 | 49.3 Ų | 49.3 | 54% | 0.542 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.5 | -40.3 | 171.2 | -174.5 | -178.1 | 167 | 0 | 0 | 112.6 | S1781 F1783 Q1788 T1789 | S1781-E1785 VanDerWaalsContact O-CB 3.32Å; S1781-E1785 WeakPolarHBondContact O-CB 3.4Å; S1781-E1785 PolarHBondContact O-N 2.92Å; F1783-E1785 VanDerWaalsContact C-N 3.34Å; E1785-Q1788 PolarHBondContact O-N 3.12Å; E1785-T1789 WeakPolarHBondContact O-CB 3.45Å; E1785-T1789 PolarHBondContact O-N 3.4Å; E1785-T1789 PolarHBondContact O-OG1 3.05Å |
| 1786 | A | 91.8 | Very high | 87.3 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1697 I1715 L1782 F1783 T1789 A1790 | I1697-A1786 HydrophobicContact CB-CB 4.03Å; I1697-A1786 HydrophobicContact CD1-CB 3.65Å; I1697-A1786 HydrophobicContact CG1-CB 4.39Å; I1697-A1786 HydrophobicContact CG2-CB 3.91Å; I1715-A1786 HydrophobicContact CB-CB 4.3Å; I1715-A1786 HydrophobicContact CD1-CB 3.92Å; I1715-A1786 HydrophobicContact CG2-CB 3.96Å; L1782-A1786 VanDerWaalsContact O-CB 3.26Å; L1782-A1786 WeakPolarHBondContact O-CB 2.95Å; L1782-A1786 PolarHBondContact O-N 3.24Å; F1783-A1786 PolarHBondContact O-N 2.88Å; A1786-T1789 PolarHBondContact O-N 3.25Å; A1786-A1790 PolarHBondContact O-N 3.23Å |
| 1787 | V | 92.2 | Very high | 85.3 | Confident | 11 Ų | 11 | 57.9 Ų | 57.9 | 7% | 0.067 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.3 | -54.1 | 171 | 171.8 | 0 | 0 | 0 | 0 | 109 | I1715 M1719 F1783 E1784 T1789 A1790 E1791 | I1715-V1787 HydrophobicContact CG2-CB 4.36Å; I1715-V1787 HydrophobicContact CG2-CG2 3.48Å; I1715-V1787 VanDerWaalsContact CG2-CG2 3.48Å; M1719-V1787 HydrophobicContact CB-CG2 4.07Å; M1719-V1787 WeakPolarHBondContact O-CG1 3.41Å; M1719-V1787 VanDerWaalsContact O-CG2 3.3Å; M1719-V1787 WeakPolarHBondContact O-CG2 3.24Å; F1783-V1787 HydrophobicContact CD1-CG2 3.88Å; F1783-V1787 HydrophobicContact CE1-CG2 3.77Å; F1783-V1787 WeakPolarHBondContact O-CG2 3.36Å; F1783-V1787 PolarHBondContact O-N 3.29Å; E1784-V1787 PolarHBondContact O-N 3.47Å; V1787-T1789 PolarHBondContact O-N 2.99Å; V1787-T1789 VanDerWaalsContact O-N 3.15Å; V1787-A1790 PolarHBondContact O-N 3.39Å; V1787-A1790 VanDerWaalsContact O-N 3.1Å; V1787-E1791 HydrophobicContact CG1-CG 4.01Å; V1787-E1791 WeakPolarHBondContact O-CB 3.38Å; V1787-E1791 VanDerWaalsContact O-CG 3.22Å; V1787-E1791 WeakPolarHBondContact O-CG 3.22Å; V1787-E1791 PolarHBondContact O-N 2.86Å |
| 1788 | Q | 88 | Confident | 83 | Confident | 26 Ų | 26 | 59.6 Ų | 59.6 | 12% | 0.121 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.4 | -32.8 | 178.8 | -172.6 | 63.9 | 73.2 | 0 | 0 | 112.9 | E1168 L1170 E1784 E1785 N1792 | E1168-Q1788 PolarHBondContact OE1-NE2 2.78Å; L1170-Q1788 HydrophobicContact CD1-CG 3.89Å; E1784-Q1788 VanDerWaalsContact O-CB 3.31Å; E1784-Q1788 WeakPolarHBondContact O-CB 3.25Å; E1784-Q1788 PolarHBondContact O-N 3.41Å; E1785-Q1788 PolarHBondContact O-N 3.12Å; Q1788-N1792 PolarHBondContact NE2-ND2 2.94Å; Q1788-N1792 VanDerWaalsContact NE2-ND2 3.2Å; Q1788-N1792 WeakPolarHBondContact O-CB 3.18Å; Q1788-N1792 PolarHBondContact O-N 3.4Å; Q1788-N1792 PolarHBondContact O-ND2 2.7Å |
| 1789 | T | 87.1 | Confident | 80.1 | Confident | 57 Ų | 57 | 60.4 Ų | 60.4 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -73.7 | -42.9 | 176.8 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | E1785 A1786 V1787 E1791 N1792 R1793 | E1785-T1789 WeakPolarHBondContact O-CB 3.45Å; E1785-T1789 PolarHBondContact O-N 3.4Å; E1785-T1789 PolarHBondContact O-OG1 3.05Å; A1786-T1789 PolarHBondContact O-N 3.25Å; V1787-T1789 PolarHBondContact O-N 2.99Å; V1787-T1789 VanDerWaalsContact O-N 3.15Å; T1789-E1791 VanDerWaalsContact C-N 3.28Å; T1789-N1792 PolarHBondContact O-N 2.74Å; T1789-R1793 PolarHBondContact O-N 2.8Å |
| 1790 | A | 86.4 | Confident | 76.8 | Confident | 28 Ų | 28 | 65.5 Ų | 65.5 | 23% | 0.231 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.2 | -35.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1715 A1786 V1787 A1794 | I1715-A1790 WeakPolarHBondContact O-CB 3.22Å; A1786-A1790 PolarHBondContact O-N 3.23Å; V1787-A1790 PolarHBondContact O-N 3.39Å; V1787-A1790 VanDerWaalsContact O-N 3.1Å; A1790-A1794 PolarHBondContact O-N 3.07Å |
| 1791 | E | 88.7 | Confident | 73.7 | Confident | 25 Ų | 25 | 70.1 Ų | 70.1 | 12% | 0.117 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.5 | -51.6 | 170.1 | -76.8 | -162.1 | 157.3 | 0 | 0 | 110.8 | E1168 V1169 A1717 G1718 V1787 T1789 R1793 A1794 K1795 | E1168-E1791 VanDerWaalsContact CA-OE2 3.26Å; E1168-E1791 WeakPolarHBondContact CA-OE2 3.41Å; E1168-E1791 HydrophobicContact CB-CB 4.27Å; E1168-E1791 HydrophobicContact CG-CB 3.52Å; E1168-E1791 HydrophobicContact CG-CG 4.44Å; E1168-E1791 WeakPolarHBondContact CG-O 3.44Å; E1168-E1791 WeakPolarHBondContact OE1-CA 3.27Å; E1168-E1791 WeakPolarHBondContact OE1-CB 3.02Å; V1169-E1791 PolarHBondContact N-OE2 3.49Å; A1717-E1791 HydrophobicContact CB-CG 3.6Å; G1718-E1791 PolarHBondContact N-OE1 3.49Å; V1787-E1791 HydrophobicContact CG1-CG 4.01Å; V1787-E1791 WeakPolarHBondContact O-CB 3.38Å; V1787-E1791 VanDerWaalsContact O-CG 3.22Å; V1787-E1791 WeakPolarHBondContact O-CG 3.22Å; V1787-E1791 PolarHBondContact O-N 2.86Å; T1789-E1791 VanDerWaalsContact C-N 3.28Å; E1791-R1793 PolarHBondContact O-N 3.31Å; E1791-A1794 WeakPolarHBondContact O-CA 2.97Å; E1791-A1794 VanDerWaalsContact O-CB 3.29Å; E1791-A1794 WeakPolarHBondContact O-CB 3.38Å; E1791-A1794 PolarHBondContact O-N 2.92Å; E1791-K1795 PolarHBondContact O-N 2.89Å; E1791-K1795 VanDerWaalsContact O-N 3.14Å |
| 1792 | N | 82.7 | Confident | 70.5 | Confident | 70 Ų | 70 | 74.4 Ų | 74.4 | 37% | 0.374 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.8 | -34.1 | -176.8 | -87.4 | -77.8 | 0 | 0 | 0 | 112.4 | E1168 Q1788 T1789 A1794 K1795 N1796 | E1168-N1792 WeakPolarHBondContact OE1-CA 3.28Å; E1168-N1792 PolarHBondContact OE1-N 3.28Å; E1168-N1792 WeakPolarHBondContact OE2-CA 3.19Å; E1168-N1792 PolarHBondContact OE2-OD1 3.45Å; Q1788-N1792 PolarHBondContact NE2-ND2 2.94Å; Q1788-N1792 VanDerWaalsContact NE2-ND2 3.2Å; Q1788-N1792 WeakPolarHBondContact O-CB 3.18Å; Q1788-N1792 PolarHBondContact O-N 3.4Å; Q1788-N1792 PolarHBondContact O-ND2 2.7Å; T1789-N1792 PolarHBondContact O-N 2.74Å; N1792-A1794 VanDerWaalsContact C-N 3.28Å; N1792-A1794 PolarHBondContact O-N 3.48Å; N1792-K1795 PolarHBondContact O-N 2.79Å; N1792-N1796 WeakPolarHBondContact O-CB 3.08Å; N1792-N1796 PolarHBondContact O-N 2.69Å; N1792-N1796 VanDerWaalsContact O-N 3.1Å |
| 1793 | R | 75 | Confident | 67.2 | Low | 121 Ų | 121 | 82.2 Ų | 82.2 | 46% | 0.457 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.3 | -36.7 | 171.1 | -75.8 | 178.1 | 168.1 | -160.3 | -6.7 | 112.6 | T1694 T1789 E1791 S1797 | T1694-R1793 VanDerWaalsContact O-CZ 3.23Å; T1694-R1793 PolarHBondContact O-NH1 3.3Å; T1694-R1793 PolarHBondContact O-NH2 2.76Å; T1789-R1793 PolarHBondContact O-N 2.8Å; E1791-R1793 PolarHBondContact O-N 3.31Å; R1793-S1797 PolarHBondContact O-OG 3.29Å |
| 1794 | A | 73.6 | Confident | 64 | Low | 8 Ų | 8 | 90.6 Ų | 90.6 | 7% | 0.066 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -72.1 | -42.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | H1166 A1790 E1791 N1792 S1797 | H1166-A1794 HydrophobicContact CB-CB 4.5Å; H1166-A1794 VanDerWaalsContact ND1-CB 3.34Å; H1166-A1794 WeakPolarHBondContact ND1-CB 3.49Å; A1790-A1794 PolarHBondContact O-N 3.07Å; E1791-A1794 WeakPolarHBondContact O-CA 2.97Å; E1791-A1794 VanDerWaalsContact O-CB 3.29Å; E1791-A1794 WeakPolarHBondContact O-CB 3.38Å; E1791-A1794 PolarHBondContact O-N 2.92Å; N1792-A1794 VanDerWaalsContact C-N 3.28Å; N1792-A1794 PolarHBondContact O-N 3.48Å; A1794-S1797 WeakPolarHBondContact O-CB 3.08Å; A1794-S1797 PolarHBondContact O-N 3.29Å |
| 1795 | K | 69.5 | Low | 60.8 | Low | 81 Ų | 81 | 91.4 Ų | 91.4 | 35% | 0.352 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.7 | -37.6 | 178.1 | -103.3 | -179 | -168.3 | 154.6 | 0 | 112.7 | E1168 E1791 N1792 S1797 Q1798 | E1168-K1795 HydrophobicContact CB-CD 3.43Å; E1168-K1795 VanDerWaalsContact CB-CD 3.43Å; E1168-K1795 HydrophobicContact CB-CG 3.92Å; E1168-K1795 HydrophobicContact CG-CB 3.85Å; E1168-K1795 HydrophobicContact CG-CD 3.64Å; E1168-K1795 HydrophobicContact CG-CG 3.67Å; E1168-K1795 PolarHBondContact O-NZ 2.73Å; E1168-K1795 WeakPolarHBondContact OE2-CB 3.43Å; E1168-K1795 WeakPolarHBondContact OE2-CD 3.48Å; E1791-K1795 PolarHBondContact O-N 2.89Å; E1791-K1795 VanDerWaalsContact O-N 3.14Å; N1792-K1795 PolarHBondContact O-N 2.79Å; K1795-S1797 PolarHBondContact O-N 2.75Å; K1795-S1797 VanDerWaalsContact O-N 3.13Å; K1795-Q1798 PolarHBondContact O-N 2.75Å |
| 1796 | N | 62.9 | Low | 57.7 | Low | 129 Ų | 129 | 93.2 Ų | 93.2 | 69% | 0.69 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -18.3 | 175.5 | -78.8 | -9.8 | 0 | 0 | 0 | 113.2 | N1792 | N1792-N1796 WeakPolarHBondContact O-CB 3.08Å; N1792-N1796 PolarHBondContact O-N 2.69Å; N1792-N1796 VanDerWaalsContact O-N 3.1Å |
| 1797 | S | 51.5 | Low | 54.6 | Low | 95 Ų | 95 | 101.6 Ų | 101.6 | 66% | 0.664 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -4 | 173.7 | -56.8 | 0 | 0 | 0 | 0 | 114.9 | R1793 A1794 K1795 | R1793-S1797 PolarHBondContact O-OG 3.29Å; A1794-S1797 WeakPolarHBondContact O-CB 3.08Å; A1794-S1797 PolarHBondContact O-N 3.29Å; K1795-S1797 PolarHBondContact O-N 2.75Å; K1795-S1797 VanDerWaalsContact O-N 3.13Å |
| 1798 | Q | 42.6 | Very low | 51.3 | Low | 114 Ų | 114 | 110.2 Ų | 110.2 | 53% | 0.533 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -127.2 | -4.7 | -171.4 | -70.1 | -171 | -18.5 | 0 | 0 | 116.1 | K1795 S1800 | K1795-Q1798 PolarHBondContact O-N 2.75Å; Q1798-S1800 VanDerWaalsContact C-N 3.31Å; Q1798-S1800 PolarHBondContact O-N 2.84Å |
| 1799 | S | 31.8 | Very low | 48.4 | Very low | 104 Ų | 104 | 114.2 Ų | 114.2 | 73% | 0.727 | 60% | 0.604 | S | S | * | * | trans | -89 | 30.8 | -172.9 | 70 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1800 | S | 27.4 | Very low | 45.7 | Very low | 107 Ų | 107 | 117.3 Ų | 117.3 | 75% | 0.748 | 62% | 0.622 | S | S | * | * | trans | -128.8 | 44.2 | -179.6 | 67.6 | 0 | 0 | 0 | 0 | 114.2 | Q1798 | Q1798-S1800 VanDerWaalsContact C-N 3.31Å; Q1798-S1800 PolarHBondContact O-N 2.84Å | ||
| 1801 | E | 27.1 | Very low | 42.9 | Very low | 191 Ų | 191 | 122.5 Ų | 122.5 | 89% | 0.893 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -152.6 | 158.5 | 155.6 | -122.3 | 167.3 | -164 | 0 | 0 | 115.4 | ||
| 1802 | I | 27.4 | Very low | 40 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 82% | 0.821 | 68% | 0.68 | S | S | * | * | trans | -74.1 | 146.7 | -152.5 | -67.7 | 163.4 | 0 | 0 | 0 | 115 | ||||
| 1803 | K | 25.3 | Very low | 37.4 | Very low | 200 Ų | 200 | 131 Ų | 131 | 87% | 0.87 | 69% | 0.691 | S | S | * | * | trans | -36.1 | 129 | 168.3 | -66.5 | 171.8 | 175.7 | 174.3 | 0 | 114.9 | ||||
| 1804 | L | 28.4 | Very low | 35 | Very low | 176 Ų | 176 | 132.2 Ų | 132.2 | 92% | 0.921 | 70% | 0.702 | S | S | * | * | trans | -120.8 | 138.2 | 147 | -163 | 66.5 | 0 | 0 | 0 | 109.8 | ||||
| 1805 | S | 26.5 | Very low | 32.9 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | trans | -101.3 | 145 | -159.3 | 51.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1806 | N | 26.4 | Very low | 31 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | 58.1 | 88.5 | 154.9 | -66 | 2.4 | 0 | 0 | 0 | 118.7 | ||||
| 1807 | K | 25.4 | Very low | 29.3 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | 15.7 | 117.7 | 115.7 | -171.6 | -176.9 | -172.3 | -178.6 | 0 | 116.8 | |||||
| 1808 | E | 24.1 | Very low | 28.3 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | -144.8 | 84.4 | 140.2 | -132.7 | 168.7 | -140.9 | 0 | 0 | 109.8 | ||||
| 1809 | T | 26.8 | Very low | 27.8 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 68% | 0.681 | 78% | 0.783 | S | S | * | * | trans | -82.1 | 111.5 | 167.7 | 47.5 | 0 | 0 | 0 | 0 | 107.9 | D1811 | T1809-D1811 PolarHBondContact O-N 3.24Š| ||
| 1810 | V | 30.5 | Very low | 27.7 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 74% | 0.739 | 79% | 0.788 | S | S | * | * | trans | -72.9 | 108.3 | 174.7 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | L1812 | V1810-L1812 HydrophobicContact CG1-CD2 4.33Å; V1810-L1812 HydrophobicContact CG1-CG 4.32Å | ||
| 1811 | D | 27.1 | Very low | 27.9 | Very low | 136 Ų | 136 | 146.2 Ų | 146.2 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -74 | 120.7 | 170.4 | -147.6 | -16.2 | 0 | 0 | 0 | 108.2 | T1809 | T1809-D1811 PolarHBondContact O-N 3.24Š| ||
| 1812 | L | 28 | Very low | 28 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -105.1 | 85.3 | 171.8 | -75.4 | 178.4 | 0 | 0 | 0 | 108.2 | V1810 | V1810-L1812 HydrophobicContact CG1-CD2 4.33Å; V1810-L1812 HydrophobicContact CG1-CG 4.32Å | ||
| 1813 | D | 27.4 | Very low | 28.2 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 61% | 0.61 | 79% | 0.788 | S | S | * | * | trans | -45.8 | 132.8 | 176 | -95.8 | -53.2 | 0 | 0 | 0 | 113.4 | ||||
| 1814 | Q | 26.3 | Very low | 28.3 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | trans | 57.2 | 108.8 | 137.9 | -56.9 | 167.9 | 44.2 | 0 | 0 | 118.4 | ||||
| 1815 | N | 28.9 | Very low | 28.6 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | 147.6 | 134.4 | 120.6 | -74 | -54.8 | 0 | 0 | 0 | 113.2 | |||||
| 1816 | G | 28.5 | Very low | 28.8 | Very low | 74 Ų | 74 | 138.9 Ų | 138.9 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | trans | 83.8 | 105.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1817 | D | 27.9 | Very low | 28.9 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | 75.1 | 109.5 | 62 | -151.4 | 32 | 0 | 0 | 0 | 112.9 | |||||
| 1818 | D | 29.9 | Very low | 29.5 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | 63.6 | 139.4 | 170.3 | -97.2 | -18.6 | 0 | 0 | 0 | 124.3 | ||||
| 1819 | T | 32 | Very low | 30.3 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | 76.7 | 121.6 | 157 | 54.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1820 | D | 31.5 | Very low | 31.3 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | 18.3 | 125.2 | 149.7 | -67.9 | -22.5 | 0 | 0 | 0 | 121.6 | ||||
| 1821 | S | 31.4 | Very low | 32.2 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | 173.9 | 152.5 | 103 | 41.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1822 | D | 28 | Very low | 34.5 | Very low | 158 Ų | 158 | 136.2 Ų | 136.2 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | trans | -66.4 | 139.4 | -175.5 | -61.9 | -66.1 | 0 | 0 | 0 | 114.6 | ||||
| 1823 | V | 31 | Very low | 36.8 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -109.8 | 109.1 | 166 | 178 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1824 | V | 28.4 | Very low | 39.3 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -84.1 | 134.2 | 179.2 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | V1826 | V1824-V1826 HydrophobicContact CG1-CG2 4.2Š| ||
| 1825 | V | 34.2 | Very low | 41.9 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 78% | 0.782 | 73% | 0.734 | S | S | * | * | trans | -117.1 | 137.1 | 171.6 | 179.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 1826 | V | 30.2 | Very low | 44.4 | Very low | 128 Ų | 128 | 122 Ų | 122 | 78% | 0.776 | 70% | 0.695 | S | S | * | * | trans | -119.6 | 130.2 | -172 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | V1824 | V1824-V1826 HydrophobicContact CG1-CG2 4.2Š| ||
| 1827 | E | 30.3 | Very low | 47.1 | Very low | 184 Ų | 184 | 119.9 Ų | 119.9 | 86% | 0.86 | 67% | 0.667 | S | S | * | * | trans | -107 | 161.7 | 179.1 | -64.5 | -166.5 | 148.2 | 0 | 0 | 113.4 | ||||
| 1828 | L | 37 | Very low | 49.6 | Very low | 163 Ų | 163 | 115.6 Ų | 115.6 | 85% | 0.853 | 65% | 0.649 | S | S | * | * | trans | -117.7 | 156.6 | -171.5 | -85.7 | 147.7 | 0 | 0 | 0 | 113.3 | ||||
| 1829 | P | 41 | Very low | 52.4 | Low | 106 Ų | 106 | 112.8 Ų | 112.8 | 69% | 0.688 | 63% | 0.628 | S | S | * | * | trans | -77.3 | 166.2 | -170 | -16.2 | 32.3 | 0 | 0 | 0 | 116.7 | ||||
| 1830 | L | 48.6 | Very low | 54.7 | Low | 140 Ų | 140 | 106.8 Ų | 106.8 | 73% | 0.733 | 59% | 0.591 | S | S | * | * | trans | -84 | 157 | -174.4 | -72.9 | 167.5 | 0 | 0 | 0 | 113.7 | R1161 | R1161-L1830 VanDerWaalsContact NH1-CG 3.33Š| ||
| 1831 | K | 48.7 | Very low | 57.5 | Low | 196 Ų | 196 | 106.2 Ų | 106.2 | 85% | 0.852 | 58% | 0.578 | S | S | * | * | trans | -105.6 | 145.2 | -176.6 | -65.9 | 177.8 | 179.3 | 174.8 | 0 | 112.8 | ||||
| 1832 | V | 74.9 | Confident | 59.9 | Low | 48 Ų | 48 | 111.1 Ų | 111.1 | 29% | 0.291 | 58% | 0.578 | S | S | . | * | trans | -103.8 | 150 | 173.1 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | Q1836 E1848 | V1832-Q1836 HydrophobicContact CG1-CB 3.84Å; V1832-E1848 HydrophobicContact CG2-CB 4.44Å; V1832-E1848 HydrophobicContact CG2-CG 4.08Å | ||
| 1833 | S | 76 | Confident | 62.1 | Low | 52 Ų | 52 | 108.8 Ų | 108.8 | 36% | 0.364 | 57% | 0.565 | S | S | . | * | trans | -82.1 | 151.7 | 179 | 71 | 0 | 0 | 0 | 0 | 113.4 | D1835 Q1836 L1837 | S1833-D1835 VanDerWaalsContact C-N 3.26Å; S1833-D1835 PolarHBondContact O-N 3.29Å; S1833-Q1836 VanDerWaalsContact N-OE1 3.15Å; S1833-Q1836 WeakPolarHBondContact O-CB 3.22Å; S1833-Q1836 PolarHBondContact O-N 2.84Å; S1833-Q1836 WeakPolarHBondContact OG-CB 3.49Å; S1833-Q1836 VanDerWaalsContact OG-CG 3.27Å; S1833-Q1836 WeakPolarHBondContact OG-CG 3.49Å; S1833-Q1836 PolarHBondContact OG-OE1 3.27Å; S1833-L1837 WeakPolarHBondContact O-CB 3.34Å; S1833-L1837 PolarHBondContact O-N 2.9Å | ||
| 1834 | D | 80.6 | Confident | 63.4 | Low | 128 Ų | 128 | 107 Ų | 107 | 68% | 0.684 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.1 | -26.6 | -178.1 | -80.8 | -36.5 | 0 | 0 | 0 | 114 | S1838 | D1834-S1838 VanDerWaalsContact O-CB 3.22Å; D1834-S1838 WeakPolarHBondContact O-CB 3.42Å; D1834-S1838 PolarHBondContact O-N 2.83Å; D1834-S1838 PolarHBondContact O-OG 3.33Å |
| 1835 | D | 81.8 | Confident | 65.8 | Low | 94 Ų | 94 | 103.8 Ų | 103.8 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -76.3 | -40.6 | 176.8 | -175.8 | 71.1 | 0 | 0 | 0 | 111.9 | S1833 S1838 R1839 | S1833-D1835 VanDerWaalsContact C-N 3.26Å; S1833-D1835 PolarHBondContact O-N 3.29Å; D1835-S1838 PolarHBondContact O-N 3.38Å; D1835-R1839 PolarHBondContact O-N 2.82Å; D1835-R1839 IonicContact OD2-CZ 2.68Å; D1835-R1839 VanDerWaalsContact OD2-CZ 3.23Å; D1835-R1839 IonicContact OD2-NE 3.18Å; D1835-R1839 PolarHBondContact OD2-NE 2.84Å; D1835-R1839 IonicContact OD2-NH2 2.67Å; D1835-R1839 PolarHBondContact OD2-NH2 3.48Å |
| 1836 | Q | 81.4 | Confident | 67.9 | Low | 8 Ų | 8 | 102 Ų | 102 | 4% | 0.037 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -60 | -46 | 169.4 | -76.1 | 165.2 | -21.2 | 0 | 0 | 111 | V1832 S1833 S1838 R1839 A1840 Y1850 N1854 | V1832-Q1836 HydrophobicContact CG1-CB 3.84Å; S1833-Q1836 VanDerWaalsContact N-OE1 3.15Å; S1833-Q1836 WeakPolarHBondContact O-CB 3.22Å; S1833-Q1836 PolarHBondContact O-N 2.84Å; S1833-Q1836 WeakPolarHBondContact OG-CB 3.49Å; S1833-Q1836 VanDerWaalsContact OG-CG 3.27Å; S1833-Q1836 WeakPolarHBondContact OG-CG 3.49Å; S1833-Q1836 PolarHBondContact OG-OE1 3.27Å; Q1836-S1838 VanDerWaalsContact C-N 3.3Å; Q1836-S1838 PolarHBondContact O-N 2.9Å; Q1836-R1839 PolarHBondContact O-N 3.38Å; Q1836-A1840 WeakPolarHBondContact O-CB 3.28Å; Q1836-A1840 PolarHBondContact O-N 3.01Å; Q1836-Y1850 PolarHBondContact NE2-O 2.83Å; Q1836-Y1850 WeakPolarHBondContact O-CD2 3.4Å; Q1836-N1854 PolarHBondContact NE2-OD1 3.12Å; Q1836-N1854 PolarHBondContact OE1-ND2 2.9Å; Q1836-N1854 PolarHBondContact OE1-OD1 3.22Å |
| 1837 | L | 85.5 | Confident | 70.2 | Confident | 30 Ų | 30 | 99 Ų | 99 | 16% | 0.157 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -59.1 | -41.6 | 174.6 | -165.4 | 71.6 | 0 | 0 | 0 | 111.6 | S1833 A1840 R1841 D1847 | S1833-L1837 WeakPolarHBondContact O-CB 3.34Å; S1833-L1837 PolarHBondContact O-N 2.9Å; L1837-A1840 PolarHBondContact O-N 2.99Å; L1837-R1841 WeakPolarHBondContact O-CB 3.01Å; L1837-R1841 VanDerWaalsContact O-CG 3.29Å; L1837-R1841 WeakPolarHBondContact O-CG 3.37Å; L1837-R1841 PolarHBondContact O-N 3.45Å; L1837-D1847 HydrophobicContact CD1-CB 3.38Å; L1837-D1847 WeakPolarHBondContact CD1-OD1 3.25Å |
| 1838 | S | 79.8 | Confident | 72.3 | Confident | 71 Ų | 71 | 96.8 Ų | 96.8 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 177.4 | -65.5 | 0 | 0 | 0 | 0 | 112.3 | D1834 D1835 Q1836 R1842 | D1834-S1838 VanDerWaalsContact O-CB 3.22Å; D1834-S1838 WeakPolarHBondContact O-CB 3.42Å; D1834-S1838 PolarHBondContact O-N 2.83Å; D1834-S1838 PolarHBondContact O-OG 3.33Å; D1835-S1838 PolarHBondContact O-N 3.38Å; Q1836-S1838 VanDerWaalsContact C-N 3.3Å; Q1836-S1838 PolarHBondContact O-N 2.9Å; S1838-R1842 WeakPolarHBondContact O-CB 3.46Å; S1838-R1842 PolarHBondContact O-N 3.07Å |
| 1839 | R | 88.5 | Confident | 74.5 | Confident | 81 Ų | 81 | 93.2 Ų | 93.2 | 31% | 0.306 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.9 | -40.2 | 174.1 | -77.3 | -174.8 | -84.6 | 133.9 | -1.2 | 111.8 | D1835 Q1836 R1842 L1843 Y1850 E1853 | D1835-R1839 PolarHBondContact O-N 2.82Å; D1835-R1839 IonicContact OD2-CZ 2.68Å; D1835-R1839 VanDerWaalsContact OD2-CZ 3.23Å; D1835-R1839 IonicContact OD2-NE 3.18Å; D1835-R1839 PolarHBondContact OD2-NE 2.84Å; D1835-R1839 IonicContact OD2-NH2 2.67Å; D1835-R1839 PolarHBondContact OD2-NH2 3.48Å; Q1836-R1839 PolarHBondContact O-N 3.38Å; R1839-R1842 PolarHBondContact O-N 2.91Å; R1839-L1843 PolarHBondContact O-N 2.9Å; R1839-Y1850 HydrophobicContact CB-CD2 4.01Å; R1839-Y1850 HydrophobicContact CB-CE2 3.58Å; R1839-E1853 IonicContact CZ-OE1 3.94Å; R1839-E1853 IonicContact CZ-OE2 2.88Å; R1839-E1853 VanDerWaalsContact CZ-OE2 3.28Å; R1839-E1853 IonicContact NH1-OE1 2.96Å; R1839-E1853 PolarHBondContact NH1-OE1 3.27Å; R1839-E1853 IonicContact NH1-OE2 3.23Å; R1839-E1853 PolarHBondContact NH1-OE2 3.1Å; R1839-E1853 IonicContact NH2-OE2 2.72Å; R1839-E1853 PolarHBondContact NH2-OE2 3.5Å |
| 1840 | A | 81.1 | Confident | 76.5 | Confident | 0 Ų | 0 | 89.6 Ų | 89.6 | 0% | 0 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.2 | -55.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q1836 L1837 R1842 L1843 K1844 L1845 P1846 Y1850 | Q1836-A1840 WeakPolarHBondContact O-CB 3.28Å; Q1836-A1840 PolarHBondContact O-N 3.01Å; L1837-A1840 PolarHBondContact O-N 2.99Å; A1840-R1842 VanDerWaalsContact C-N 3.35Å; A1840-R1842 PolarHBondContact O-N 2.63Å; A1840-L1843 CarbonylContact O-C 3.48Å; A1840-L1843 PolarHBondContact O-N 2.73Å; A1840-L1843 VanDerWaalsContact O-N 3.09Å; A1840-K1844 PolarHBondContact O-N 3.36Å; A1840-L1845 HydrophobicContact CB-CB 4.42Å; A1840-L1845 PolarHBondContact O-N 2.89Å; A1840-P1846 VanDerWaalsContact CB-O 3.32Å; A1840-P1846 WeakPolarHBondContact CB-O 3.23Å; A1840-Y1850 HydrophobicContact CB-CD2 4.01Å; A1840-Y1850 HydrophobicContact CB-CE2 4.24Å |
| 1841 | R | 88.7 | Confident | 77.6 | Confident | 144 Ų | 144 | 85.8 Ų | 85.8 | 54% | 0.543 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.3 | -35.3 | -179.2 | -68.9 | 172.5 | 178 | -179.1 | -1.3 | 113.1 | L1837 L1843 K1844 D1847 | L1837-R1841 WeakPolarHBondContact O-CB 3.01Å; L1837-R1841 VanDerWaalsContact O-CG 3.29Å; L1837-R1841 WeakPolarHBondContact O-CG 3.37Å; L1837-R1841 PolarHBondContact O-N 3.45Å; R1841-L1843 VanDerWaalsContact C-N 3.26Å; R1841-L1843 PolarHBondContact O-N 3.41Å; R1841-K1844 PolarHBondContact O-N 2.78Å; R1841-D1847 WeakPolarHBondContact CG-OD1 3.28Å; R1841-D1847 IonicContact CZ-OD1 3.44Å; R1841-D1847 IonicContact CZ-OD2 3.57Å; R1841-D1847 IonicContact NE-OD1 2.76Å; R1841-D1847 PolarHBondContact NE-OD1 3.45Å; R1841-D1847 IonicContact NE-OD2 2.84Å; R1841-D1847 IonicContact NH2-OD1 3.63Å; R1841-D1847 PolarHBondContact NH2-OD1 2.96Å; R1841-D1847 IonicContact NH2-OD2 2.92Å; R1841-D1847 PolarHBondContact NH2-OD2 3.15Å |
| 1842 | R | 81.9 | Confident | 78.3 | Confident | 219 Ų | 219 | 80.7 Ų | 80.7 | 83% | 0.826 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.9 | -29.8 | 174.8 | -173.6 | 172.5 | -177.7 | 170.8 | -0.3 | 112.8 | S1838 R1839 A1840 | S1838-R1842 WeakPolarHBondContact O-CB 3.46Å; S1838-R1842 PolarHBondContact O-N 3.07Å; R1839-R1842 PolarHBondContact O-N 2.91Å; A1840-R1842 VanDerWaalsContact C-N 3.35Å; A1840-R1842 PolarHBondContact O-N 2.63Å |
| 1843 | L | 74 | Confident | 78 | Confident | 108 Ų | 108 | 82.1 Ų | 82.1 | 57% | 0.565 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 4 | 174.7 | -60.7 | -173.1 | 0 | 0 | 0 | 114 | R1839 A1840 R1841 L1845 Y1850 | R1839-L1843 PolarHBondContact O-N 2.9Å; A1840-L1843 CarbonylContact O-C 3.48Å; A1840-L1843 PolarHBondContact O-N 2.73Å; A1840-L1843 VanDerWaalsContact O-N 3.09Å; R1841-L1843 VanDerWaalsContact C-N 3.26Å; R1841-L1843 PolarHBondContact O-N 3.41Å; L1843-L1845 HydrophobicContact CB-CD1 3.77Å; L1843-L1845 HydrophobicContact CB-CG 3.95Å; L1843-L1845 HydrophobicContact CD1-CD1 4.01Å; L1843-L1845 PolarHBondContact O-N 2.92Å; L1843-Y1850 VanDerWaalsContact CD1-OH 3.27Å; L1843-Y1850 WeakPolarHBondContact CD1-OH 3.16Å |
| 1844 | K | 59.8 | Low | 77.5 | Confident | 98 Ų | 98 | 84 Ų | 84 | 43% | 0.426 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 32.8 | -172.5 | -75.3 | -178.5 | 150.9 | 163.5 | 0 | 114.4 | F1007 A1840 R1841 | F1007-K1844 HydrophobicContact CD1-CD 4.2Å; F1007-K1844 HydrophobicContact CE1-CD 3.44Å; F1007-K1844 VanDerWaalsContact CE1-CD 3.44Å; F1007-K1844 HydrophobicContact CE1-CG 3.86Å; F1007-K1844 HydrophobicContact CZ-CD 3.71Å; F1007-K1844 HydrophobicContact CZ-CG 4.4Å; F1007-K1844 PolarHBondContact O-NZ 3.44Å; A1840-K1844 PolarHBondContact O-N 3.36Å; R1841-K1844 PolarHBondContact O-N 2.78Å |
| 1845 | L | 77.6 | Confident | 75.5 | Confident | 53 Ų | 53 | 81 Ų | 81 | 28% | 0.277 | 41% | 0.407 | S | S | . | . | trans | -90.6 | 158.3 | 172.6 | -60.7 | 167.3 | 0 | 0 | 0 | 110.3 | A1840 L1843 F1849 Y1850 | A1840-L1845 HydrophobicContact CB-CB 4.42Å; A1840-L1845 PolarHBondContact O-N 2.89Å; L1843-L1845 HydrophobicContact CB-CD1 3.77Å; L1843-L1845 HydrophobicContact CB-CG 3.95Å; L1843-L1845 HydrophobicContact CD1-CD1 4.01Å; L1843-L1845 PolarHBondContact O-N 2.92Å; L1845-F1849 HydrophobicContact CB-CB 3.88Å; L1845-F1849 HydrophobicContact CB-CD1 4.31Å; L1845-F1849 HydrophobicContact CB-CD2 4.1Å; L1845-F1849 HydrophobicContact CB-CG 3.82Å; L1845-F1849 HydrophobicContact CD1-CD1 3.64Å; L1845-F1849 HydrophobicContact CD1-CD2 4.2Å; L1845-F1849 HydrophobicContact CD1-CE1 3.65Å; L1845-F1849 HydrophobicContact CD1-CE2 4.19Å; L1845-F1849 HydrophobicContact CD1-CG 3.93Å; L1845-F1849 HydrophobicContact CD1-CZ 3.93Å; L1845-F1849 HydrophobicContact CD2-CD2 4.16Å; L1845-F1849 HydrophobicContact CD2-CE2 4.13Å; L1845-F1849 HydrophobicContact CG-CD2 4.38Å; L1845-F1849 HydrophobicContact CG-CG 4.32Å; L1845-Y1850 HydrophobicContact CD1-CE2 4.4Å | ||
| 1846 | P | 78.4 | Confident | 73.1 | Confident | 91 Ų | 91 | 84.5 Ų | 84.5 | 59% | 0.591 | 42% | 0.42 | S | S | * | . | trans | -54.5 | 147.9 | 175 | -26 | 35.1 | 0 | 0 | 0 | 112.5 | A1840 E1848 F1849 | A1840-P1846 VanDerWaalsContact CB-O 3.32Å; A1840-P1846 WeakPolarHBondContact CB-O 3.23Å; P1846-E1848 PolarHBondContact O-N 2.99Å; P1846-E1848 VanDerWaalsContact O-N 3.1Å; P1846-F1849 WeakPolarHBondContact O-CB 3.43Å; P1846-F1849 PolarHBondContact O-N 3.33Å | ||
| 1847 | D | 79.1 | Confident | 70.8 | Confident | 65 Ų | 65 | 90.1 Ų | 90.1 | 35% | 0.348 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -31.9 | -175.6 | -81.5 | -7.2 | 0 | 0 | 0 | 113.4 | L1837 R1841 | L1837-D1847 HydrophobicContact CD1-CB 3.38Å; L1837-D1847 WeakPolarHBondContact CD1-OD1 3.25Å; R1841-D1847 WeakPolarHBondContact CG-OD1 3.28Å; R1841-D1847 IonicContact CZ-OD1 3.44Å; R1841-D1847 IonicContact CZ-OD2 3.57Å; R1841-D1847 IonicContact NE-OD1 2.76Å; R1841-D1847 PolarHBondContact NE-OD1 3.45Å; R1841-D1847 IonicContact NE-OD2 2.84Å; R1841-D1847 IonicContact NH2-OD1 3.63Å; R1841-D1847 PolarHBondContact NH2-OD1 2.96Å; R1841-D1847 IonicContact NH2-OD2 2.92Å; R1841-D1847 PolarHBondContact NH2-OD2 3.15Å |
| 1848 | E | 73.5 | Confident | 68.3 | Low | 138 Ų | 138 | 95 Ų | 95 | 65% | 0.645 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 1.5 | 177.8 | -61.7 | 174.3 | 173 | 0 | 0 | 114.1 | V1832 P1846 Y1850 S1851 | V1832-E1848 HydrophobicContact CG2-CB 4.44Å; V1832-E1848 HydrophobicContact CG2-CG 4.08Å; P1846-E1848 PolarHBondContact O-N 2.99Å; P1846-E1848 VanDerWaalsContact O-N 3.1Å; E1848-Y1850 VanDerWaalsContact C-N 3.28Å; E1848-Y1850 PolarHBondContact O-N 2.87Å; E1848-S1851 WeakPolarHBondContact O-CB 3.37Å; E1848-S1851 PolarHBondContact O-N 2.83Å; E1848-S1851 PolarHBondContact O-OG 3.41Å |
| 1849 | F | 84.5 | Confident | 65.8 | Low | 88 Ų | 88 | 94.6 Ų | 94.6 | 39% | 0.386 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -54.8 | -42 | -171.9 | 178.7 | -88.9 | 0 | 0 | 0 | 112.7 | L1845 P1846 S1851 F1852 | L1845-F1849 HydrophobicContact CB-CB 3.88Å; L1845-F1849 HydrophobicContact CB-CD1 4.31Å; L1845-F1849 HydrophobicContact CB-CD2 4.1Å; L1845-F1849 HydrophobicContact CB-CG 3.82Å; L1845-F1849 HydrophobicContact CD1-CD1 3.64Å; L1845-F1849 HydrophobicContact CD1-CD2 4.2Å; L1845-F1849 HydrophobicContact CD1-CE1 3.65Å; L1845-F1849 HydrophobicContact CD1-CE2 4.19Å; L1845-F1849 HydrophobicContact CD1-CG 3.93Å; L1845-F1849 HydrophobicContact CD1-CZ 3.93Å; L1845-F1849 HydrophobicContact CD2-CD2 4.16Å; L1845-F1849 HydrophobicContact CD2-CE2 4.13Å; L1845-F1849 HydrophobicContact CG-CD2 4.38Å; L1845-F1849 HydrophobicContact CG-CG 4.32Å; P1846-F1849 WeakPolarHBondContact O-CB 3.43Å; P1846-F1849 PolarHBondContact O-N 3.33Å; F1849-S1851 VanDerWaalsContact C-N 3.32Å; F1849-S1851 PolarHBondContact O-N 2.76Å; F1849-F1852 HydrophobicContact CD1-CE1 4.23Å; F1849-F1852 AromaticContact CE1-CE1 3.99Å; F1849-F1852 HydrophobicContact CE1-CE1 3.99Å; F1849-F1852 WeakPolarHBondContact O-CD1 3.3Å; F1849-F1852 WeakPolarHBondContact O-CE1 3.36Å |
| 1850 | Y | 82 | Confident | 63 | Low | 30 Ų | 30 | 100 Ų | 100 | 12% | 0.118 | 52% | 0.516 | C | S | . | . | G | 310 helix | trans | -89.9 | 13.7 | 179.5 | -66.3 | -76.9 | 0 | 0 | 0 | 113.8 | Q1836 R1839 A1840 L1843 L1845 E1848 F1852 E1853 | Q1836-Y1850 PolarHBondContact NE2-O 2.83Å; Q1836-Y1850 WeakPolarHBondContact O-CD2 3.4Å; R1839-Y1850 HydrophobicContact CB-CD2 4.01Å; R1839-Y1850 HydrophobicContact CB-CE2 3.58Å; A1840-Y1850 HydrophobicContact CB-CD2 4.01Å; A1840-Y1850 HydrophobicContact CB-CE2 4.24Å; L1843-Y1850 VanDerWaalsContact CD1-OH 3.27Å; L1843-Y1850 WeakPolarHBondContact CD1-OH 3.16Å; L1845-Y1850 HydrophobicContact CD1-CE2 4.4Å; E1848-Y1850 VanDerWaalsContact C-N 3.28Å; E1848-Y1850 PolarHBondContact O-N 2.87Å; Y1850-F1852 HydrophobicContact CD1-CE1 4.16Å; Y1850-F1852 AromaticContact CD1-CZ 3.97Å; Y1850-F1852 HydrophobicContact CD1-CZ 3.97Å; Y1850-F1852 HydrophobicContact CE1-CZ 4.5Å; Y1850-F1852 PolarHBondContact O-N 3.13Å; Y1850-E1853 HydrophobicContact CD1-CG 4.03Å; Y1850-E1853 WeakPolarHBondContact CD1-OE1 3.13Å; Y1850-E1853 WeakPolarHBondContact O-CB 3.32Å; Y1850-E1853 PolarHBondContact O-N 2.97Å |
| 1851 | S | 72.4 | Confident | 60.7 | Low | 59 Ų | 59 | 105.9 Ų | 105.9 | 41% | 0.413 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -59.5 | -25.3 | 175.1 | 58.2 | 0 | 0 | 0 | 0 | 112.9 | E1848 F1849 E1853 N1854 | E1848-S1851 WeakPolarHBondContact O-CB 3.37Å; E1848-S1851 PolarHBondContact O-N 2.83Å; E1848-S1851 PolarHBondContact O-OG 3.41Å; F1849-S1851 VanDerWaalsContact C-N 3.32Å; F1849-S1851 PolarHBondContact O-N 2.76Å; S1851-E1853 VanDerWaalsContact C-N 3.28Å; S1851-E1853 PolarHBondContact O-N 3.43Å; S1851-N1854 WeakPolarHBondContact O-CB 3.2Å; S1851-N1854 PolarHBondContact O-N 3.28Å; S1851-N1854 VanDerWaalsContact O-N 3.17Å |
| 1852 | F | 63.8 | Low | 58.2 | Low | 89 Ų | 89 | 108.6 Ų | 108.6 | 39% | 0.39 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -65.2 | -26.9 | 172.6 | 70.7 | -98 | 0 | 0 | 0 | 113.8 | F1849 Y1850 N1854 G1855 I1857 | F1849-F1852 HydrophobicContact CD1-CE1 4.23Å; F1849-F1852 AromaticContact CE1-CE1 3.99Å; F1849-F1852 HydrophobicContact CE1-CE1 3.99Å; F1849-F1852 WeakPolarHBondContact O-CD1 3.3Å; F1849-F1852 WeakPolarHBondContact O-CE1 3.36Å; Y1850-F1852 HydrophobicContact CD1-CE1 4.16Å; Y1850-F1852 AromaticContact CD1-CZ 3.97Å; Y1850-F1852 HydrophobicContact CD1-CZ 3.97Å; Y1850-F1852 HydrophobicContact CE1-CZ 4.5Å; Y1850-F1852 PolarHBondContact O-N 3.13Å; F1852-N1854 PolarHBondContact O-N 2.66Å; F1852-G1855 PolarHBondContact O-N 3.37Å; F1852-I1857 HydrophobicContact CB-CD1 3.56Å; F1852-I1857 HydrophobicContact CB-CG1 3.97Å; F1852-I1857 HydrophobicContact CD2-CD1 4.03Å; F1852-I1857 HydrophobicContact CG-CD1 3.9Å |
| 1853 | E | 67.1 | Low | 56.2 | Low | 78 Ų | 78 | 106.2 Ų | 106.2 | 36% | 0.364 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -67.8 | -13.3 | 175.8 | -63.8 | -173.7 | 167.3 | 0 | 0 | 112 | R1839 Y1850 S1851 G1855 | R1839-E1853 IonicContact CZ-OE1 3.94Å; R1839-E1853 IonicContact CZ-OE2 2.88Å; R1839-E1853 VanDerWaalsContact CZ-OE2 3.28Å; R1839-E1853 IonicContact NH1-OE1 2.96Å; R1839-E1853 PolarHBondContact NH1-OE1 3.27Å; R1839-E1853 IonicContact NH1-OE2 3.23Å; R1839-E1853 PolarHBondContact NH1-OE2 3.1Å; R1839-E1853 IonicContact NH2-OE2 2.72Å; R1839-E1853 PolarHBondContact NH2-OE2 3.5Å; Y1850-E1853 HydrophobicContact CD1-CG 4.03Å; Y1850-E1853 WeakPolarHBondContact CD1-OE1 3.13Å; Y1850-E1853 WeakPolarHBondContact O-CB 3.32Å; Y1850-E1853 PolarHBondContact O-N 2.97Å; S1851-E1853 VanDerWaalsContact C-N 3.28Å; S1851-E1853 PolarHBondContact O-N 3.43Å; E1853-G1855 PolarHBondContact O-N 2.64Å; E1853-G1855 VanDerWaalsContact O-N 3.15Å |
| 1854 | N | 65.8 | Low | 54.8 | Low | 93 Ų | 93 | 105 Ų | 105 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -74.6 | 13.7 | 167.1 | -58.8 | -36.6 | 0 | 0 | 0 | 112.7 | Q1836 S1851 F1852 | Q1836-N1854 PolarHBondContact NE2-OD1 3.12Å; Q1836-N1854 PolarHBondContact OE1-ND2 2.9Å; Q1836-N1854 PolarHBondContact OE1-OD1 3.22Å; S1851-N1854 WeakPolarHBondContact O-CB 3.2Å; S1851-N1854 PolarHBondContact O-N 3.28Å; S1851-N1854 VanDerWaalsContact O-N 3.17Å; F1852-N1854 PolarHBondContact O-N 2.66Å |
| 1855 | G | 38.6 | Very low | 54.7 | Low | 63 Ų | 63 | 103.7 Ų | 103.7 | 65% | 0.649 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.7 | 30.1 | 153.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | F1852 E1853 | F1852-G1855 PolarHBondContact O-N 3.37Å; E1853-G1855 PolarHBondContact O-N 2.64Å; E1853-G1855 VanDerWaalsContact O-N 3.15Å |
| 1856 | H | 31.6 | Very low | 53.8 | Low | 168 Ų | 168 | 105 Ų | 105 | 78% | 0.778 | 59% | 0.586 | S | S | * | * | trans | -137.6 | 68 | 179.6 | -138 | -66.3 | 0 | 0 | 0 | 114.4 | ||||
| 1857 | I | 33.9 | Very low | 53.4 | Low | 126 Ų | 126 | 109 Ų | 109 | 65% | 0.646 | 59% | 0.589 | S | S | * | * | trans | -125.2 | 122.2 | 158.8 | -67.4 | -178.8 | 0 | 0 | 0 | 108.5 | F1852 | F1852-I1857 HydrophobicContact CB-CD1 3.56Å; F1852-I1857 HydrophobicContact CB-CG1 3.97Å; F1852-I1857 HydrophobicContact CD2-CD1 4.03Å; F1852-I1857 HydrophobicContact CG-CD1 3.9Å | ||
| 1858 | T | 32.2 | Very low | 53 | Low | 133 Ų | 133 | 110.6 Ų | 110.6 | 82% | 0.816 | 60% | 0.595 | S | S | * | * | trans | -86.5 | 108.7 | 174.4 | 48.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1859 | G | 27.3 | Very low | 52.8 | Low | 62 Ų | 62 | 108.7 Ų | 108.7 | 64% | 0.639 | 59% | 0.586 | S | S | * | * | trans | -177.4 | 85.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1860 | E | 30.9 | Very low | 52.3 | Low | 196 Ų | 196 | 107.2 Ų | 107.2 | 92% | 0.916 | 59% | 0.59 | S | S | * | * | trans | 57.7 | 101.7 | 155.8 | -62.6 | 174.4 | -167.9 | 0 | 0 | 119.3 | ||||
| 1861 | S | 32.9 | Very low | 52.1 | Low | 123 Ų | 123 | 110.1 Ų | 110.1 | 86% | 0.86 | 60% | 0.604 | S | S | * | * | trans | -159.9 | 120.3 | 131.1 | 29.2 | 0 | 0 | 0 | 0 | 109.7 | H1863 | S1861-H1863 PolarHBondContact O-N 2.83Š| ||
| 1862 | E | 36.2 | Very low | 52.1 | Low | 201 Ų | 201 | 112 Ų | 112 | 94% | 0.939 | 61% | 0.607 | S | S | * | * | trans | -77.5 | 117.4 | 174.4 | -68.3 | -179.9 | 138.6 | 0 | 0 | 109.2 | ||||
| 1863 | H | 38.6 | Very low | 52.7 | Low | 168 Ų | 168 | 113.2 Ų | 113.2 | 78% | 0.778 | 62% | 0.617 | S | S | * | * | trans | -99.2 | 100.1 | 175.7 | -166.3 | -48.2 | 0 | 0 | 0 | 108.7 | S1861 T1865 | S1861-H1863 PolarHBondContact O-N 2.83Å; H1863-T1865 PolarHBondContact O-N 3.4Å | ||
| 1864 | L | 45.8 | Very low | 53.2 | Low | 83 Ų | 83 | 112.3 Ų | 112.3 | 44% | 0.435 | 62% | 0.623 | S | S | . | * | trans | -51.6 | 138 | 167.7 | -74.6 | 158.6 | 0 | 0 | 0 | 109.3 | E1868 E1869 | L1864-E1868 HydrophobicContact CD2-CB 4.27Å; L1864-E1869 HydrophobicContact CB-CG 3.84Å; L1864-E1869 HydrophobicContact CD1-CG 4.47Å | ||
| 1865 | T | 56.5 | Low | 53.6 | Low | 71 Ų | 71 | 113.8 Ų | 113.8 | 44% | 0.436 | 63% | 0.63 | S | S | . | * | trans | -71.8 | 148.9 | 176 | 65.7 | 0 | 0 | 0 | 0 | 109.7 | H1863 R1867 E1868 E1869 | H1863-T1865 PolarHBondContact O-N 3.4Å; T1865-R1867 CarbonylContact O-C 3.52Å; T1865-R1867 PolarHBondContact O-N 3.1Å; T1865-E1868 VanDerWaalsContact CB-OE2 3.27Å; T1865-E1868 WeakPolarHBondContact CB-OE2 3.49Å; T1865-E1868 VanDerWaalsContact CG2-OE2 3.3Å; T1865-E1868 WeakPolarHBondContact CG2-OE2 3.45Å; T1865-E1868 PolarHBondContact N-OE2 3.43Å; T1865-E1868 CarbonylContact O-C 3.56Å; T1865-E1868 WeakPolarHBondContact O-CA 3.28Å; T1865-E1868 PolarHBondContact O-N 3.02Å; T1865-E1868 WeakPolarHBondContact OG1-CG 3.43Å; T1865-E1868 PolarHBondContact OG1-N 3.46Å; T1865-E1868 PolarHBondContact OG1-OE2 2.91Å; T1865-E1869 PolarHBondContact O-N 3.44Å | ||
| 1866 | A | 59.2 | Low | 54.8 | Low | 79 Ų | 79 | 115.4 Ų | 115.4 | 65% | 0.653 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -59.6 | -11 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A1870 | A1866-A1870 VanDerWaalsContact O-CB 3.29Å; A1866-A1870 WeakPolarHBondContact O-CB 3.24Å; A1866-A1870 PolarHBondContact O-N 2.93Å |
| 1867 | R | 68.8 | Low | 56.6 | Low | 176 Ų | 176 | 112.9 Ų | 112.9 | 66% | 0.664 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -86.1 | -41.2 | 169.4 | -177.4 | 173.9 | 177.6 | 166.3 | 1.3 | 112.1 | T1865 A1870 E1871 | T1865-R1867 CarbonylContact O-C 3.52Å; T1865-R1867 PolarHBondContact O-N 3.1Å; R1867-A1870 PolarHBondContact O-N 3.28Å; R1867-E1871 HydrophobicContact CG-CG 4.43Å; R1867-E1871 IonicContact CZ-OE1 2.69Å; R1867-E1871 VanDerWaalsContact CZ-OE1 3.3Å; R1867-E1871 IonicContact NE-OE1 3.72Å; R1867-E1871 PolarHBondContact NE-OE1 3.01Å; R1867-E1871 IonicContact NH2-OE1 2.72Å; R1867-E1871 PolarHBondContact NH2-OE1 3.18Å; R1867-E1871 VanDerWaalsContact O-CB 3.31Å; R1867-E1871 WeakPolarHBondContact O-CB 3.33Å; R1867-E1871 WeakPolarHBondContact O-CG 3.37Å; R1867-E1871 PolarHBondContact O-N 3.47Å |
| 1868 | E | 70.8 | Confident | 57.9 | Low | 99 Ų | 99 | 109.4 Ų | 109.4 | 46% | 0.463 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.7 | -41.5 | 172.9 | -70.7 | 156.2 | 150.5 | 0 | 0 | 110.9 | L1864 T1865 A1870 E1871 E1872 | L1864-E1868 HydrophobicContact CD2-CB 4.27Å; T1865-E1868 VanDerWaalsContact CB-OE2 3.27Å; T1865-E1868 WeakPolarHBondContact CB-OE2 3.49Å; T1865-E1868 VanDerWaalsContact CG2-OE2 3.3Å; T1865-E1868 WeakPolarHBondContact CG2-OE2 3.45Å; T1865-E1868 PolarHBondContact N-OE2 3.43Å; T1865-E1868 CarbonylContact O-C 3.56Å; T1865-E1868 WeakPolarHBondContact O-CA 3.28Å; T1865-E1868 PolarHBondContact O-N 3.02Å; T1865-E1868 WeakPolarHBondContact OG1-CG 3.43Å; T1865-E1868 PolarHBondContact OG1-N 3.46Å; T1865-E1868 PolarHBondContact OG1-OE2 2.91Å; E1868-A1870 VanDerWaalsContact C-N 3.35Å; E1868-A1870 PolarHBondContact O-N 2.99Å; E1868-E1871 PolarHBondContact O-N 2.91Å; E1868-E1872 WeakPolarHBondContact O-CB 3.39Å; E1868-E1872 PolarHBondContact O-N 2.9Å |
| 1869 | E | 71.2 | Confident | 59.2 | Low | 98 Ų | 98 | 106 Ų | 106 | 46% | 0.458 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -57.8 | -45.7 | 170 | -78.4 | -175.8 | 136.3 | 0 | 0 | 111.4 | L1864 T1865 E1872 D1873 | L1864-E1869 HydrophobicContact CB-CG 3.84Å; L1864-E1869 HydrophobicContact CD1-CG 4.47Å; T1865-E1869 PolarHBondContact O-N 3.44Å; E1869-E1872 PolarHBondContact O-N 3.09Å; E1869-D1873 WeakPolarHBondContact O-CB 3.43Å; E1869-D1873 PolarHBondContact O-N 3.01Å |
| 1870 | A | 72.4 | Confident | 60.3 | Low | 57 Ų | 57 | 108.8 Ų | 108.8 | 47% | 0.471 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.7 | -32.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1866 R1867 E1868 A1874 | A1866-A1870 VanDerWaalsContact O-CB 3.29Å; A1866-A1870 WeakPolarHBondContact O-CB 3.24Å; A1866-A1870 PolarHBondContact O-N 2.93Å; R1867-A1870 PolarHBondContact O-N 3.28Å; E1868-A1870 VanDerWaalsContact C-N 3.35Å; E1868-A1870 PolarHBondContact O-N 2.99Å; A1870-A1874 WeakPolarHBondContact O-CB 3.47Å; A1870-A1874 PolarHBondContact O-N 2.88Å; A1870-A1874 VanDerWaalsContact O-N 3.09Å |
| 1871 | E | 77.6 | Confident | 61.3 | Low | 91 Ų | 91 | 105.7 Ų | 105.7 | 43% | 0.425 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -75.8 | -34.9 | 174.4 | -74.1 | 178.4 | -170.3 | 0 | 0 | 110.9 | R1867 E1868 L1875 | R1867-E1871 HydrophobicContact CG-CG 4.43Å; R1867-E1871 IonicContact CZ-OE1 2.69Å; R1867-E1871 VanDerWaalsContact CZ-OE1 3.3Å; R1867-E1871 IonicContact NE-OE1 3.72Å; R1867-E1871 PolarHBondContact NE-OE1 3.01Å; R1867-E1871 IonicContact NH2-OE1 2.72Å; R1867-E1871 PolarHBondContact NH2-OE1 3.18Å; R1867-E1871 VanDerWaalsContact O-CB 3.31Å; R1867-E1871 WeakPolarHBondContact O-CB 3.33Å; R1867-E1871 WeakPolarHBondContact O-CG 3.37Å; R1867-E1871 PolarHBondContact O-N 3.47Å; E1868-E1871 PolarHBondContact O-N 2.91Å; E1871-L1875 WeakPolarHBondContact O-CB 3.31Å; E1871-L1875 WeakPolarHBondContact O-CD1 3.36Å; E1871-L1875 WeakPolarHBondContact O-CG 3.39Å; E1871-L1875 PolarHBondContact O-N 3.28Å |
| 1872 | E | 73.8 | Confident | 61.4 | Low | 99 Ų | 99 | 104.2 Ų | 104.2 | 46% | 0.463 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71.4 | -44.7 | 174.2 | -169.8 | 170.1 | -153.8 | 0 | 0 | 112.1 | E1868 E1869 A1874 L1875 L1876 | E1868-E1872 WeakPolarHBondContact O-CB 3.39Å; E1868-E1872 PolarHBondContact O-N 2.9Å; E1869-E1872 PolarHBondContact O-N 3.09Å; E1872-A1874 VanDerWaalsContact C-N 3.31Å; E1872-A1874 PolarHBondContact O-N 2.9Å; E1872-L1875 PolarHBondContact O-N 3.07Å; E1872-L1876 HydrophobicContact CG-CD1 4.13Å; E1872-L1876 WeakPolarHBondContact O-CB 3.13Å; E1872-L1876 WeakPolarHBondContact O-CG 3.33Å; E1872-L1876 PolarHBondContact O-N 3.42Å |
| 1873 | D | 76.6 | Confident | 61.1 | Low | 114 Ų | 114 | 102.1 Ų | 102.1 | 61% | 0.61 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60 | -40.8 | 171.6 | -91.8 | -16 | 0 | 0 | 0 | 111.4 | E1869 L1876 E1877 | E1869-D1873 WeakPolarHBondContact O-CB 3.43Å; E1869-D1873 PolarHBondContact O-N 3.01Å; D1873-L1876 PolarHBondContact O-N 3.23Å; D1873-E1877 WeakPolarHBondContact O-CB 3.37Å; D1873-E1877 PolarHBondContact O-N 3.21Å |
| 1874 | A | 77.2 | Confident | 60.6 | Low | 58 Ų | 58 | 104.4 Ų | 104.4 | 48% | 0.479 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.3 | -38.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1870 E1872 A1878 | A1870-A1874 WeakPolarHBondContact O-CB 3.47Å; A1870-A1874 PolarHBondContact O-N 2.88Å; A1870-A1874 VanDerWaalsContact O-N 3.09Å; E1872-A1874 VanDerWaalsContact C-N 3.31Å; E1872-A1874 PolarHBondContact O-N 2.9Å; A1874-A1878 WeakPolarHBondContact O-CB 3.45Å; A1874-A1878 PolarHBondContact O-N 3.43Å |
| 1875 | L | 73.7 | Confident | 59.8 | Low | 125 Ų | 125 | 109.9 Ų | 109.9 | 65% | 0.654 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.8 | -39.2 | 175.2 | -75.9 | 167.8 | 0 | 0 | 0 | 111.9 | E1871 E1872 A1878 A1879 | E1871-L1875 WeakPolarHBondContact O-CB 3.31Å; E1871-L1875 WeakPolarHBondContact O-CD1 3.36Å; E1871-L1875 WeakPolarHBondContact O-CG 3.39Å; E1871-L1875 PolarHBondContact O-N 3.28Å; E1872-L1875 PolarHBondContact O-N 3.07Å; L1875-A1878 PolarHBondContact O-N 3.35Å; L1875-A1879 VanDerWaalsContact O-CB 3.32Å; L1875-A1879 WeakPolarHBondContact O-CB 3.29Å; L1875-A1879 PolarHBondContact O-N 3.22Å |
| 1876 | L | 64 | Low | 58.3 | Low | 97 Ų | 97 | 113.9 Ų | 113.9 | 51% | 0.508 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.1 | -45.1 | 174.6 | -79.3 | 164.9 | 0 | 0 | 0 | 111.5 | E1872 D1873 A1878 A1879 V1880 | E1872-L1876 HydrophobicContact CG-CD1 4.13Å; E1872-L1876 WeakPolarHBondContact O-CB 3.13Å; E1872-L1876 WeakPolarHBondContact O-CG 3.33Å; E1872-L1876 PolarHBondContact O-N 3.42Å; D1873-L1876 PolarHBondContact O-N 3.23Å; L1876-A1878 VanDerWaalsContact C-N 3.32Å; L1876-A1878 PolarHBondContact O-N 2.9Å; L1876-A1879 PolarHBondContact O-N 3.38Å; L1876-V1880 WeakPolarHBondContact O-CB 3.47Å; L1876-V1880 VanDerWaalsContact O-CG2 3.32Å; L1876-V1880 WeakPolarHBondContact O-CG2 3.33Å; L1876-V1880 PolarHBondContact O-N 3.31Å |
| 1877 | E | 68.9 | Low | 56.7 | Low | 114 Ų | 114 | 115.9 Ų | 115.9 | 53% | 0.533 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.1 | -32.7 | 176.9 | -143 | -162.4 | -177.1 | 0 | 0 | 112 | D1873 K1881 | D1873-E1877 WeakPolarHBondContact O-CB 3.37Å; D1873-E1877 PolarHBondContact O-N 3.21Å; E1877-K1881 HydrophobicContact CG-CD 4.41Å; E1877-K1881 WeakPolarHBondContact O-CB 3.47Å; E1877-K1881 WeakPolarHBondContact O-CG 3.18Å; E1877-K1881 PolarHBondContact O-N 3.14Å; E1877-K1881 VanDerWaalsContact OE1-CE 3.23Å; E1877-K1881 WeakPolarHBondContact OE1-CE 3.28Å; E1877-K1881 IonicContact OE1-NZ 3.92Å; E1877-K1881 PolarHBondContact OE1-NZ 3.43Å; E1877-K1881 IonicContact OE2-NZ 2.95Å; E1877-K1881 PolarHBondContact OE2-NZ 3.36Å |
| 1878 | A | 62.1 | Low | 54.6 | Low | 53 Ų | 53 | 113.5 Ų | 113.5 | 44% | 0.438 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.1 | -40.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1874 L1875 L1876 K1881 S1882 | A1874-A1878 WeakPolarHBondContact O-CB 3.45Å; A1874-A1878 PolarHBondContact O-N 3.43Å; L1875-A1878 PolarHBondContact O-N 3.35Å; L1876-A1878 VanDerWaalsContact C-N 3.32Å; L1876-A1878 PolarHBondContact O-N 2.9Å; A1878-K1881 PolarHBondContact O-N 3.34Å; A1878-S1882 VanDerWaalsContact O-CB 3.26Å; A1878-S1882 WeakPolarHBondContact O-CB 3.22Å; A1878-S1882 PolarHBondContact O-N 3.21Å; A1878-S1882 VanDerWaalsContact O-N 3.11Å; A1878-S1882 PolarHBondContact O-OG 3.47Å |
| 1879 | A | 58 | Low | 52.3 | Low | 61 Ų | 61 | 114.5 Ų | 114.5 | 50% | 0.504 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.2 | -42.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1875 L1876 S1882 | L1875-A1879 VanDerWaalsContact O-CB 3.32Å; L1875-A1879 WeakPolarHBondContact O-CB 3.29Å; L1875-A1879 PolarHBondContact O-N 3.22Å; L1876-A1879 PolarHBondContact O-N 3.38Å; A1879-S1882 PolarHBondContact O-OG 3.11Å |
| 1880 | V | 51.3 | Low | 50.1 | Low | 121 Ų | 121 | 114.4 Ų | 114.4 | 73% | 0.733 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.4 | -34.5 | 178.4 | 171.9 | 0 | 0 | 0 | 0 | 112.4 | L1876 | L1876-V1880 WeakPolarHBondContact O-CB 3.47Å; L1876-V1880 VanDerWaalsContact O-CG2 3.32Å; L1876-V1880 WeakPolarHBondContact O-CG2 3.33Å; L1876-V1880 PolarHBondContact O-N 3.31Å |
| 1881 | K | 51.4 | Low | 47.9 | Very low | 132 Ų | 132 | 118 Ų | 118 | 57% | 0.574 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -82.4 | -24.3 | -179.6 | -76.4 | 171.9 | -177.8 | 163.8 | 0 | 114.8 | E1877 A1878 | E1877-K1881 HydrophobicContact CG-CD 4.41Å; E1877-K1881 WeakPolarHBondContact O-CB 3.47Å; E1877-K1881 WeakPolarHBondContact O-CG 3.18Å; E1877-K1881 PolarHBondContact O-N 3.14Å; E1877-K1881 VanDerWaalsContact OE1-CE 3.23Å; E1877-K1881 WeakPolarHBondContact OE1-CE 3.28Å; E1877-K1881 IonicContact OE1-NZ 3.92Å; E1877-K1881 PolarHBondContact OE1-NZ 3.43Å; E1877-K1881 IonicContact OE2-NZ 2.95Å; E1877-K1881 PolarHBondContact OE2-NZ 3.36Å; A1878-K1881 PolarHBondContact O-N 3.34Å |
| 1882 | S | 34.9 | Very low | 45.3 | Very low | 91 Ų | 91 | 121.2 Ų | 121.2 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -87.4 | -12.1 | -167.6 | 55.3 | 0 | 0 | 0 | 0 | 116.3 | A1878 A1879 R1884 | A1878-S1882 VanDerWaalsContact O-CB 3.26Å; A1878-S1882 WeakPolarHBondContact O-CB 3.22Å; A1878-S1882 PolarHBondContact O-N 3.21Å; A1878-S1882 VanDerWaalsContact O-N 3.11Å; A1878-S1882 PolarHBondContact O-OG 3.47Å; A1879-S1882 PolarHBondContact O-OG 3.11Å; S1882-R1884 PolarHBondContact O-N 2.9Å |
| 1883 | N | 29.6 | Very low | 43.1 | Very low | 157 Ų | 157 | 127.1 Ų | 127.1 | 84% | 0.84 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -77.9 | 40.9 | 176.7 | -155.9 | 0.9 | 0 | 0 | 0 | 113.8 | ||
| 1884 | R | 29.4 | Very low | 40.6 | Very low | 217 Ų | 217 | 125.9 Ų | 125.9 | 82% | 0.819 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -140.4 | 108.7 | 175.1 | -87.8 | -174.9 | 171.5 | 172.7 | 0.3 | 112.4 | S1882 | S1882-R1884 PolarHBondContact O-N 2.9Š|
| 1885 | K | 28.8 | Very low | 38 | Very low | 197 Ų | 197 | 130.4 Ų | 130.4 | 86% | 0.857 | 71% | 0.71 | S | S | * | * | trans | 78.3 | 108.6 | 155.3 | -58.2 | -178.9 | 176.5 | -178.6 | 0 | 118.9 | ||||
| 1886 | N | 25.7 | Very low | 35.9 | Very low | 155 Ų | 155 | 130.1 Ų | 130.1 | 83% | 0.829 | 72% | 0.718 | S | S | * | * | trans | 22.2 | 121.1 | 136.4 | -65.6 | 7.5 | 0 | 0 | 0 | 120.6 | ||||
| 1887 | C | 24.4 | Very low | 34 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | 38.8 | 112.4 | 129.9 | -170.5 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 1888 | T | 25.1 | Very low | 32 | Very low | 126 Ų | 126 | 132 Ų | 132 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | trans | -162.1 | 126.9 | 138.3 | -0.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1889 | T | 23.4 | Very low | 30.1 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | trans | 44 | 110.2 | 142.7 | 52.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1890 | A | 23.3 | Very low | 28.6 | Very low | 96 Ų | 96 | 139.8 Ų | 139.8 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | 41.4 | 128.2 | 116.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1891 | T | 26.3 | Very low | 27.2 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | -146.1 | 147.4 | 129.6 | -34.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1892 | E | 23.4 | Very low | 25.8 | Very low | 158 Ų | 158 | 144 Ų | 144 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | -81 | 159.9 | -178.5 | -49.9 | 107.3 | 144.1 | 0 | 0 | 114.4 | ||||
| 1893 | Y | 27.3 | Very low | 25.2 | Very low | 224 Ų | 224 | 146 Ų | 146 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | trans | -167.5 | 84 | 142.2 | -92.2 | -69 | 0 | 0 | 0 | 106.9 | ||||
| 1894 | S | 23.8 | Very low | 25.9 | Very low | 87 Ų | 87 | 143.4 Ų | 143.4 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | 68.3 | 112.9 | 76.3 | 74.4 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1895 | D | 24.1 | Very low | 25.6 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | 50.8 | 116.6 | 150.2 | -55.7 | -22 | 0 | 0 | 0 | 122 | ||||
| 1896 | S | 29.3 | Very low | 25.3 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | -161.6 | 120 | 100.3 | 22.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1897 | D | 23.5 | Very low | 25.3 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | -71 | 134.1 | 174.5 | -159.8 | -18.3 | 0 | 0 | 0 | 111 | T1899 | D1897-T1899 PolarHBondContact OD1-N 3.08Å; D1897-T1899 PolarHBondContact OD1-OG1 2.9Å | ||
| 1898 | S | 27.5 | Very low | 25.3 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -154.4 | 68.9 | 161.6 | 45.5 | 0 | 0 | 0 | 0 | 111.7 | I1900 | S1898-I1900 PolarHBondContact O-N 2.94Å; S1898-I1900 VanDerWaalsContact O-N 3.09Å | ||
| 1899 | T | 22.1 | Very low | 25.2 | Very low | 110 Ų | 110 | 139 Ų | 139 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | trans | -44.9 | 111.2 | 164.8 | -67.1 | 0 | 0 | 0 | 0 | 112.5 | D1897 K1901 | D1897-T1899 PolarHBondContact OD1-N 3.08Å; D1897-T1899 PolarHBondContact OD1-OG1 2.9Å; T1899-K1901 HydrophobicContact CG2-CB 4.49Å | ||
| 1900 | I | 26.8 | Very low | 25.1 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | trans | -112 | 123.9 | 155.4 | -64.4 | -176 | 0 | 0 | 0 | 108.6 | S1898 | S1898-I1900 PolarHBondContact O-N 2.94Å; S1898-I1900 VanDerWaalsContact O-N 3.09Å | ||
| 1901 | K | 21.9 | Very low | 25.2 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 81% | 0.809 | 76% | 0.757 | S | S | * | * | trans | -99.5 | 144.7 | -159.7 | -162.6 | 171.5 | -177.3 | 174.8 | 0 | 111.4 | T1899 | T1899-K1901 HydrophobicContact CG2-CB 4.49Š| ||
| 1902 | L | 22.2 | Very low | 24.9 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | trans | -46.3 | 165.8 | 174.1 | -68.4 | 153.1 | 0 | 0 | 0 | 115.2 | ||||
| 1903 | T | 21.8 | Very low | 24.8 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | trans | 118.3 | 160.8 | 147.1 | 71.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1904 | P | 43.2 | Very low | 24.4 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | -139.6 | 166.6 | -67.5 | 40.3 | -24.9 | 0 | 0 | 0 | 113.8 | |||||
| 1905 | T | 23.6 | Very low | 24.6 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 85% | 0.847 | 74% | 0.737 | S | S | * | * | trans | 162.9 | 153.6 | 145.4 | 31.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1906 | S | 22.5 | Very low | 24.4 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | cis | -171.2 | 160.8 | -32.7 | 55.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1907 | K | 25.1 | Very low | 24.1 | Very low | 200 Ų | 200 | 133.7 Ų | 133.7 | 87% | 0.87 | 73% | 0.731 | S | S | * | * | trans | 85.5 | 95.8 | 165.3 | -55.7 | 179.2 | -176.9 | 179.5 | 0 | 118.5 | ||||
| 1908 | Q | 25.1 | Very low | 24 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 58% | 0.584 | 72% | 0.717 | S | S | * | * | trans | -71.7 | -176.8 | 148.9 | -64.8 | 171.4 | -36.5 | 0 | 0 | 111.5 | ||||
| 1909 | Q | 23 | Very low | 23.8 | Very low | 171 Ų | 171 | 129.7 Ų | 129.7 | 80% | 0.799 | 70% | 0.7 | S | S | * | * | trans | 115.9 | 138.1 | 158.6 | -67 | -174 | -7.7 | 0 | 0 | 113.8 | ||||
| 1910 | N | 22 | Very low | 23.9 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 62% | 0.62 | 68% | 0.684 | S | S | * | * | cis | -166.9 | -174.4 | -9.3 | -119.1 | -18.9 | 0 | 0 | 0 | 109.3 | ||||
| 1911 | V | 23.9 | Very low | 23.9 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 70% | 0.697 | 68% | 0.683 | S | S | * | * | trans | 75.5 | 101.3 | 163.4 | -161.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1912 | T | 21.2 | Very low | 23.8 | Very low | 93 Ų | 93 | 120.7 Ų | 120.7 | 57% | 0.571 | 67% | 0.668 | S | S | * | * | 71.4 | 149.4 | 56 | 74.7 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 1913 | T | 21.4 | Very low | 24 | Very low | 89 Ų | 89 | 119.8 Ų | 119.8 | 55% | 0.546 | 67% | 0.669 | S | S | . | * | trans | 100.3 | 133.5 | 145.3 | 8.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1914 | E | 19.1 | Very low | 24.1 | Very low | 164 Ų | 164 | 119.4 Ų | 119.4 | 77% | 0.766 | 67% | 0.672 | S | S | * | * | trans | 56.8 | 96.6 | 159.5 | -81.6 | 103.4 | -136.4 | 0 | 0 | 122.6 | ||||
| 1915 | V | 26.6 | Very low | 23.1 | Very low | 122 Ų | 122 | 120 Ų | 120 | 74% | 0.739 | 68% | 0.679 | S | S | * | * | -23 | 130.8 | 127.1 | 174.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1916 | Q | 21.2 | Very low | 23.1 | Very low | 169 Ų | 169 | 119 Ų | 119 | 79% | 0.79 | 68% | 0.677 | S | S | * | * | -154.3 | 132.8 | 125 | -123.4 | 174.2 | -0.4 | 0 | 0 | 112.1 | |||||
| 1917 | C | 22.2 | Very low | 23.4 | Very low | 108 Ų | 108 | 120.8 Ų | 120.8 | 73% | 0.73 | 69% | 0.686 | S | S | * | * | trans | -110.8 | 139.8 | 168.6 | -175.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1918 | T | 22.4 | Very low | 23.2 | Very low | 75 Ų | 75 | 120.6 Ų | 120.6 | 46% | 0.46 | 69% | 0.691 | S | S | . | * | trans | -160.1 | 121.6 | 171.4 | 5.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1919 | K | 21.9 | Very low | 23.1 | Very low | 92 Ų | 92 | 123.9 Ų | 123.9 | 40% | 0.4 | 70% | 0.699 | S | S | . | * | trans | 62.8 | 98.1 | 141.5 | -69.1 | 177.6 | 159 | -88.4 | 0 | 121.1 | D1988 T1989 E1990 | K1919-D1988 WeakPolarHBondContact CE-O 3.2Å; K1919-D1988 PolarHBondContact NZ-O 3.14Å; K1919-T1989 HydrophobicContact CG-CG2 4.33Å; K1919-E1990 VanDerWaalsContact CB-OE2 3.24Å; K1919-E1990 WeakPolarHBondContact CB-OE2 3.22Å; K1919-E1990 WeakPolarHBondContact CD-OE2 3.4Å; K1919-E1990 WeakPolarHBondContact CE-OE2 3.37Å; K1919-E1990 HydrophobicContact CG-CB 4.32Å; K1919-E1990 WeakPolarHBondContact CG-OE2 3.37Å; K1919-E1990 IonicContact NZ-OE2 2.66Å; K1919-E1990 PolarHBondContact NZ-OE2 2.72Å | ||
| 1920 | V | 24.4 | Very low | 23.3 | Very low | 57 Ų | 57 | 123.6 Ų | 123.6 | 35% | 0.345 | 70% | 0.702 | S | S | . | * | 14.2 | 143.3 | 115.4 | -173 | 0 | 0 | 0 | 0 | 118.9 | T1922 E1990 D1992 | V1920-T1922 HydrophobicContact CG1-CG2 3.92Å; V1920-E1990 HydrophobicContact CB-CB 3.65Å; V1920-E1990 HydrophobicContact CB-CG 4.41Å; V1920-E1990 HydrophobicContact CG1-CB 4.11Å; V1920-E1990 HydrophobicContact CG2-CB 3.82Å; V1920-E1990 WeakPolarHBondContact CG2-O 3.1Å; V1920-D1992 HydrophobicContact CG1-CB 4.42Å | |||
| 1921 | V | 26.4 | Very low | 24.4 | Very low | 138 Ų | 138 | 122 Ų | 122 | 84% | 0.836 | 70% | 0.698 | S | S | * | * | trans | -140.5 | 133.7 | 135.8 | 171.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1922 | T | 20.8 | Very low | 24.5 | Very low | 81 Ų | 81 | 125.4 Ų | 125.4 | 50% | 0.497 | 71% | 0.706 | S | S | . | * | trans | -91.4 | 178 | -174.5 | 33.9 | 0 | 0 | 0 | 0 | 114.5 | V1920 D1992 | V1920-T1922 HydrophobicContact CG1-CG2 3.92Å; T1922-D1992 HydrophobicContact CG2-CB 4.23Å; T1922-D1992 WeakPolarHBondContact CG2-OD2 3.12Å | ||
| 1923 | T | 25.1 | Very low | 24.6 | Very low | 136 Ų | 136 | 126.4 Ų | 126.4 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | trans | -72.9 | 155.9 | -168.6 | 52.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1924 | S | 25 | Very low | 24.7 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | trans | -139.5 | 118.2 | 155.2 | 67.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1925 | S | 22.1 | Very low | 25.1 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 83% | 0.825 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 170.8 | -178 | 48.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1926 | S | 22.6 | Very low | 25.1 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 143 | -164.7 | -57.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1927 | P | 29 | Very low | 25.4 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 161.4 | -179.6 | 34.7 | -36.2 | 0 | 0 | 0 | 115.2 | ||
| 1928 | M | 21.7 | Very low | 25.9 | Very low | 197 Ų | 197 | 125.7 Ų | 125.7 | 97% | 0.97 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 168.8 | -175.1 | -166.9 | 167.5 | 172 | 0 | 0 | 112.8 | ||
| 1929 | Y | 23.7 | Very low | 26.5 | Very low | 193 Ų | 193 | 130 Ų | 130 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | trans | -136.8 | 129.2 | -160.5 | 179.6 | -81.5 | 0 | 0 | 0 | 113.9 | P1931 | Y1929-P1931 HydrophobicContact CE1-CB 4.09Å; Y1929-P1931 HydrophobicContact CE1-CG 4.31Å | ||
| 1930 | I | 26.1 | Very low | 27.4 | Very low | 166 Ų | 166 | 127.6 Ų | 127.6 | 85% | 0.851 | 72% | 0.722 | S | S | * | * | trans | -146.8 | 148.4 | 155.5 | -73.2 | -162.1 | 0 | 0 | 0 | 109 | ||||
| 1931 | P | 45.7 | Very low | 28.1 | Very low | 83 Ų | 83 | 130.2 Ų | 130.2 | 54% | 0.539 | 74% | 0.738 | S | S | . | * | trans | -120.9 | 163.2 | -155 | 41.2 | -29.5 | 0 | 0 | 0 | 116.6 | Y1929 | Y1929-P1931 HydrophobicContact CE1-CB 4.09Å; Y1929-P1931 HydrophobicContact CE1-CG 4.31Å | ||
| 1932 | Q | 25.1 | Very low | 28.5 | Very low | 185 Ų | 185 | 129.7 Ų | 129.7 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | trans | -154.9 | 123 | 148.4 | -98.8 | -164.5 | -1 | 0 | 0 | 114.9 | ||||
| 1933 | V | 23 | Very low | 29.6 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 70% | 0.697 | 73% | 0.73 | S | S | * | * | 63.2 | 110.8 | 126.9 | -178.6 | 0 | 0 | 0 | 0 | 122 | |||||
| 1934 | K | 23.5 | Very low | 30.1 | Very low | 199 Ų | 199 | 127.5 Ų | 127.5 | 87% | 0.865 | 72% | 0.716 | S | S | * | * | trans | 59.3 | 89 | 142.3 | -65.2 | 175.6 | -176.5 | 175.5 | 0 | 120.6 | ||||
| 1935 | G | 27.6 | Very low | 30.4 | Very low | 73 Ų | 73 | 126 Ų | 126 | 75% | 0.753 | 71% | 0.71 | S | S | * | * | 94.4 | 108.6 | 107.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 1936 | L | 26.6 | Very low | 30.8 | Very low | 164 Ų | 164 | 124.9 Ų | 124.9 | 86% | 0.859 | 71% | 0.708 | S | S | * | * | trans | -155.9 | 123.9 | 152.5 | -132.2 | 83.7 | 0 | 0 | 0 | 111.3 | ||||
| 1937 | I | 29.4 | Very low | 31.1 | Very low | 138 Ų | 138 | 123.4 Ų | 123.4 | 71% | 0.708 | 70% | 0.698 | S | S | * | * | trans | 51.4 | 111.9 | 156.6 | -19.2 | -174.6 | 0 | 0 | 0 | 119.5 | ||||
| 1938 | S | 32.5 | Very low | 31.2 | Very low | 63 Ų | 63 | 126.4 Ų | 126.4 | 44% | 0.441 | 70% | 0.698 | S | S | . | * | trans | -76.9 | 142.7 | 165.9 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | S1940 | S1938-S1940 PolarHBondContact O-N 2.79Å; S1938-S1940 PolarHBondContact OG-N 2.69Å; S1938-S1940 PolarHBondContact OG-OG 3.43Å; S1938-S1940 VanDerWaalsContact OG-OG 3.12Å | ||
| 1939 | F | 33.7 | Very low | 31.6 | Very low | 166 Ų | 166 | 124.4 Ų | 124.4 | 73% | 0.728 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -7.6 | 179.1 | -94.9 | -98.1 | 0 | 0 | 0 | 115 | T1941 L1942 | F1939-T1941 PolarHBondContact O-N 3.32Å; F1939-T1941 VanDerWaalsContact O-N 3.09Å; F1939-L1942 HydrophobicContact CD1-CD1 3.78Å; F1939-L1942 HydrophobicContact CE1-CD1 3.72Å; F1939-L1942 PolarHBondContact O-N 2.91Å |
| 1940 | S | 41.1 | Very low | 32 | Very low | 40 Ų | 40 | 120.8 Ų | 120.8 | 28% | 0.28 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -56.1 | -27.2 | 177 | -44.5 | 0 | 0 | 0 | 0 | 113.2 | S1938 L1942 S1943 | S1938-S1940 PolarHBondContact O-N 2.79Å; S1938-S1940 PolarHBondContact OG-N 2.69Å; S1938-S1940 PolarHBondContact OG-OG 3.43Å; S1938-S1940 VanDerWaalsContact OG-OG 3.12Å; S1940-L1942 VanDerWaalsContact C-N 3.27Å; S1940-L1942 PolarHBondContact O-N 2.82Å; S1940-S1943 PolarHBondContact O-OG 3.16Å; S1940-S1943 VanDerWaalsContact O-OG 3.1Å |
| 1941 | T | 40.3 | Very low | 32.1 | Very low | 112 Ų | 112 | 121.2 Ų | 121.2 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -76.4 | -9.8 | 177.7 | -36.5 | 0 | 0 | 0 | 0 | 113.5 | F1939 | F1939-T1941 PolarHBondContact O-N 3.32Å; F1939-T1941 VanDerWaalsContact O-N 3.09Å |
| 1942 | L | 34.5 | Very low | 31.2 | Very low | 127 Ų | 127 | 122.4 Ų | 122.4 | 67% | 0.665 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -97.5 | -17.7 | 174.4 | -73.1 | 173.4 | 0 | 0 | 0 | 113.5 | F1939 S1940 | F1939-L1942 HydrophobicContact CD1-CD1 3.78Å; F1939-L1942 HydrophobicContact CE1-CD1 3.72Å; F1939-L1942 PolarHBondContact O-N 2.91Å; S1940-L1942 VanDerWaalsContact C-N 3.27Å; S1940-L1942 PolarHBondContact O-N 2.82Å |
| 1943 | S | 43.4 | Very low | 31.3 | Very low | 71 Ų | 71 | 122.6 Ų | 122.6 | 50% | 0.497 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -85.6 | -35.5 | 175.1 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | S1940 A1945 A1946 | S1940-S1943 PolarHBondContact O-OG 3.16Å; S1940-S1943 VanDerWaalsContact O-OG 3.1Å; S1943-A1945 PolarHBondContact O-N 3.04Å; S1943-A1946 PolarHBondContact O-N 3.32Å |
| 1944 | D | 35.6 | Very low | 31.5 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 54% | 0.54 | 71% | 0.709 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.1 | -10.1 | -172.3 | -74.6 | 0.4 | 0 | 0 | 0 | 113.8 | ||
| 1945 | A | 32.2 | Very low | 31.8 | Very low | 91 Ų | 91 | 122.4 Ų | 122.4 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -7.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1943 | S1943-A1945 PolarHBondContact O-N 3.04Š|
| 1946 | A | 30.1 | Very low | 31.8 | Very low | 94 Ų | 94 | 124 Ų | 124 | 78% | 0.777 | 70% | 0.701 | S | S | * | * | trans | -100.2 | 45.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1943 | S1943-A1946 PolarHBondContact O-N 3.32Š| ||
| 1947 | S | 28.6 | Very low | 32.5 | Very low | 87 Ų | 87 | 122 Ų | 122 | 61% | 0.608 | 70% | 0.698 | S | S | * | * | trans | -114 | 130.7 | 172.8 | 66.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 1948 | K | 30.1 | Very low | 32.7 | Very low | 190 Ų | 190 | 121.1 Ų | 121.1 | 83% | 0.826 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 86.8 | 125.8 | 176 | -55 | -178.3 | -179.7 | 178.6 | 0 | 117.3 | ||
| 1949 | D | 31.9 | Very low | 32.6 | Very low | 154 Ų | 154 | 126 Ų | 126 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 76.9 | 56.5 | 155.3 | -51.8 | -15.8 | 0 | 0 | 0 | 120.2 | ||
| 1950 | S | 30.9 | Very low | 32.3 | Very low | 117 Ų | 117 | 122.4 Ų | 122.4 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | -177.5 | 117.7 | 124.6 | 35.8 | 0 | 0 | 0 | 0 | 112.8 | P1952 | S1950-P1952 WeakPolarHBondContact O-CD 3.47Š| |||
| 1951 | Q | 28.6 | Very low | 31.7 | Very low | 176 Ų | 176 | 125.8 Ų | 125.8 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | trans | -92 | 119.2 | 173.5 | -77.3 | -172.7 | -24 | 0 | 0 | 111.7 | K1953 | Q1951-K1953 PolarHBondContact O-N 3.17Š| ||
| 1952 | P | 27.3 | Very low | 31.2 | Very low | 108 Ų | 108 | 126 Ų | 126 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | -80.8 | 93.9 | 160.3 | 31.2 | -29.5 | 0 | 0 | 0 | 109.5 | S1950 W1954 | S1950-P1952 WeakPolarHBondContact O-CD 3.47Å; P1952-W1954 PolarHBondContact O-N 2.79Å; P1952-W1954 VanDerWaalsContact O-N 3.07Å | ||
| 1953 | K | 26.3 | Very low | 30.7 | Very low | 188 Ų | 188 | 132.1 Ų | 132.1 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | trans | -79.4 | 82.9 | -173.3 | -168.7 | 179.5 | -175.4 | 179.2 | 0 | 112.1 | Q1951 G1955 | Q1951-K1953 PolarHBondContact O-N 3.17Å; K1953-G1955 PolarHBondContact O-N 3.08Å | ||
| 1954 | W | 28.2 | Very low | 29.9 | Very low | 241 Ų | 241 | 132.6 Ų | 132.6 | 91% | 0.913 | 76% | 0.761 | S | S | * | * | trans | -76.4 | 105.9 | 175 | -77.6 | 95 | 0 | 0 | 0 | 112.6 | P1952 | P1952-W1954 PolarHBondContact O-N 2.79Å; P1952-W1954 VanDerWaalsContact O-N 3.07Å | ||
| 1955 | G | 28.8 | Very low | 29.5 | Very low | 70 Ų | 70 | 135.4 Ų | 135.4 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 72 | 97.8 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | K1953 | K1953-G1955 PolarHBondContact O-N 3.08Š| ||
| 1956 | S | 28.7 | Very low | 29.2 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -59.3 | 148.4 | 164.6 | -165.3 | 0 | 0 | 0 | 0 | 111.9 | T1958 | S1956-T1958 PolarHBondContact O-N 3.05Š| ||
| 1957 | P | 39.6 | Very low | 29.1 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -76.5 | 97.7 | -176.1 | 30.4 | -35.3 | 0 | 0 | 0 | 111.9 | ||
| 1958 | T | 34.6 | Very low | 29.2 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -162.9 | 61.5 | 163.3 | 7.4 | 0 | 0 | 0 | 0 | 110.2 | S1956 | S1956-T1958 PolarHBondContact O-N 3.05Š|
| 1959 | N | 30.5 | Very low | 29.2 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | 169.3 | 93.6 | 152.7 | -87.6 | -27.2 | 0 | 0 | 0 | 108.5 | ||||
| 1960 | A | 27.9 | Very low | 29.1 | Very low | 90 Ų | 90 | 135.6 Ų | 135.6 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | -73.7 | 128.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T1962 | A1960-T1962 PolarHBondContact O-N 3.34Å; A1960-T1962 VanDerWaalsContact O-N 3.1Å | ||
| 1961 | P | 27.5 | Very low | 29 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -78.8 | 94.3 | 174 | 30.6 | -31.8 | 0 | 0 | 0 | 109.8 | W1963 | P1961-W1963 PolarHBondContact O-N 3.47Å; P1961-W1963 VanDerWaalsContact O-N 3.16Å | ||
| 1962 | T | 29.6 | Very low | 28.9 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | trans | -68.3 | 107.9 | 175.4 | -57 | 0 | 0 | 0 | 0 | 110.6 | A1960 S1964 | A1960-T1962 PolarHBondContact O-N 3.34Å; A1960-T1962 VanDerWaalsContact O-N 3.1Å; T1962-S1964 PolarHBondContact O-N 2.76Å; T1962-S1964 PolarHBondContact O-OG 3.02Å; T1962-S1964 VanDerWaalsContact O-OG 3.11Å | ||
| 1963 | W | 24.1 | Very low | 28.9 | Very low | 255 Ų | 255 | 141.3 Ų | 141.3 | 97% | 0.966 | 80% | 0.802 | S | S | * | * | trans | -62.9 | 97.5 | 176.3 | -80.8 | 49.9 | 0 | 0 | 0 | 110.8 | P1961 | P1961-W1963 PolarHBondContact O-N 3.47Å; P1961-W1963 VanDerWaalsContact O-N 3.16Å | ||
| 1964 | S | 26.9 | Very low | 28.9 | Very low | 81 Ų | 81 | 138.1 Ų | 138.1 | 57% | 0.566 | 80% | 0.801 | S | S | * | * | trans | -148 | 83.2 | 179.7 | 46.2 | 0 | 0 | 0 | 0 | 111.3 | T1962 | T1962-S1964 PolarHBondContact O-N 2.76Å; T1962-S1964 PolarHBondContact O-OG 3.02Å; T1962-S1964 VanDerWaalsContact O-OG 3.11Å | ||
| 1965 | N | 27.4 | Very low | 29 | Very low | 161 Ų | 161 | 133.6 Ų | 133.6 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | 166.6 | 162.1 | 113.6 | -84.6 | -18.1 | 0 | 0 | 0 | 114.2 | |||||
| 1966 | A | 25.8 | Very low | 28.8 | Very low | 96 Ų | 96 | 140 Ų | 140 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | 70.7 | 98.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117 | A1968 | A1966-A1968 PolarHBondContact O-N 3.45Š| ||
| 1967 | G | 28.8 | Very low | 28.6 | Very low | 88 Ų | 88 | 138.7 Ų | 138.7 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | -65.6 | 129 | 158.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1968 | A | 30 | Very low | 27.9 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -124.3 | 135 | 151.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | A1966 | A1966-A1968 PolarHBondContact O-N 3.45Š| ||
| 1969 | Q | 30.6 | Very low | 27.5 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -73.4 | 136.5 | -165.2 | -70.2 | 173.2 | -32.5 | 0 | 0 | 112.2 | F1971 | Q1969-F1971 PolarHBondContact O-N 2.67Š| ||
| 1970 | L | 29.5 | Very low | 27.2 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -73 | 30.4 | -167.6 | -157.2 | 83.1 | 0 | 0 | 0 | 115.1 | ||
| 1971 | F | 28.4 | Very low | 27.2 | Very low | 194 Ų | 194 | 142.9 Ų | 142.9 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -141.1 | 37.3 | -177.7 | -67.7 | -67 | 0 | 0 | 0 | 114.2 | Q1969 K1973 | Q1969-F1971 PolarHBondContact O-N 2.67Å; F1971-K1973 PolarHBondContact O-N 3.1Å | ||
| 1972 | T | 26.7 | Very low | 27.1 | Very low | 132 Ų | 132 | 145.6 Ų | 145.6 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -73.7 | 107.6 | 155.5 | 44.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1973 | K | 26.5 | Very low | 27 | Very low | 194 Ų | 194 | 147.9 Ų | 147.9 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -53.9 | 132.8 | 175.3 | -79.1 | -178.3 | 174.6 | 178.3 | 0 | 110.1 | F1971 V1975 | F1971-K1973 PolarHBondContact O-N 3.1Å; K1973-V1975 PolarHBondContact O-N 3.38Å | ||
| 1974 | P | 27.9 | Very low | 27 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -68.2 | 129.8 | 178.8 | 27.5 | -33.4 | 0 | 0 | 0 | 110.5 | K1976 | P1974-K1976 PolarHBondContact O-N 2.87Å; P1974-K1976 VanDerWaalsContact O-N 3.11Å | ||
| 1975 | V | 28.9 | Very low | 27.1 | Very low | 145 Ų | 145 | 143.1 Ų | 143.1 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -67.1 | 109.1 | 175.2 | 175.4 | 0 | 0 | 0 | 0 | 108.8 | K1973 | K1973-V1975 PolarHBondContact O-N 3.38Š| ||
| 1976 | K | 25.8 | Very low | 27.2 | Very low | 204 Ų | 204 | 139.7 Ų | 139.7 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -76.3 | 131 | 174.3 | -155.2 | -179.1 | -174.2 | -172.1 | 0 | 108.4 | P1974 | P1974-K1976 PolarHBondContact O-N 2.87Å; P1974-K1976 VanDerWaalsContact O-N 3.11Å | ||
| 1977 | A | 22.8 | Very low | 27.3 | Very low | 80 Ų | 80 | 138 Ų | 138 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | trans | -108.7 | 121.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1978 | V | 26.4 | Very low | 27.4 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | 70.1 | 128.8 | 149.2 | -172.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1979 | T | 25.1 | Very low | 27.5 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | cis | -151.1 | 152.6 | 24.4 | -7.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1980 | E | 24.4 | Very low | 27.8 | Very low | 165 Ų | 165 | 132.3 Ų | 132.3 | 77% | 0.771 | 73% | 0.728 | S | S | * | * | trans | 53.4 | 98.9 | 143 | -70.7 | 160.4 | -156.5 | 0 | 0 | 121.9 | ||||
| 1981 | H | 28.6 | Very low | 28.1 | Very low | 182 Ų | 182 | 132 Ų | 132 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | -176.5 | 140.7 | 99.9 | -110.8 | -81.6 | 0 | 0 | 0 | 113.3 | |||||
| 1982 | E | 26 | Very low | 28.5 | Very low | 170 Ų | 170 | 128 Ų | 128 | 79% | 0.794 | 71% | 0.714 | S | S | * | * | trans | -85.5 | 155.9 | 160.4 | -60.5 | 165.9 | 145.4 | 0 | 0 | 107.7 | ||||
| 1983 | D | 25.5 | Very low | 29.2 | Very low | 164 Ų | 164 | 125.1 Ų | 125.1 | 88% | 0.877 | 70% | 0.698 | S | S | * | * | cis | -137.7 | 160.7 | 21.7 | -70 | -69.1 | 0 | 0 | 0 | 112.3 | ||||
| 1984 | G | 25.5 | Very low | 29.7 | Very low | 77 Ų | 77 | 123.1 Ų | 123.1 | 79% | 0.794 | 69% | 0.691 | S | S | * | * | trans | 138.2 | 96.8 | 163 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1985 | D | 28.4 | Very low | 30.1 | Very low | 159 Ų | 159 | 126.1 Ų | 126.1 | 85% | 0.85 | 69% | 0.688 | S | S | * | * | trans | -94.3 | 105.3 | -178.2 | -176.7 | 20.4 | 0 | 0 | 0 | 112.5 | ||||
| 1986 | S | 28.9 | Very low | 30.8 | Very low | 89 Ų | 89 | 126.5 Ų | 126.5 | 62% | 0.622 | 68% | 0.68 | S | S | * | * | trans | -153.5 | 83.5 | 163.1 | 57.7 | 0 | 0 | 0 | 0 | 112.8 | D1988 | S1986-D1988 PolarHBondContact O-N 2.68Š| ||
| 1987 | S | 27.9 | Very low | 31.4 | Very low | 59 Ų | 59 | 121.9 Ų | 121.9 | 41% | 0.413 | 67% | 0.671 | S | S | . | * | trans | -82.1 | 81.1 | 156.6 | 66 | 0 | 0 | 0 | 0 | 108.9 | T1989 | S1987-T1989 PolarHBondContact O-N 3.26Å; S1987-T1989 PolarHBondContact O-OG1 3.37Å | ||
| 1988 | D | 30.9 | Very low | 32.8 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 60% | 0.604 | 68% | 0.677 | S | S | * | * | 73.2 | 11.6 | 68.7 | -63.1 | 25.4 | 0 | 0 | 0 | 111.9 | K1919 S1986 E1990 | K1919-D1988 WeakPolarHBondContact CE-O 3.2Å; K1919-D1988 PolarHBondContact NZ-O 3.14Å; S1986-D1988 PolarHBondContact O-N 2.68Å; D1988-E1990 PolarHBondContact O-N 2.85Å; D1988-E1990 VanDerWaalsContact O-N 3.1Å | |||
| 1989 | T | 33 | Very low | 33.3 | Very low | 59 Ų | 59 | 124.5 Ų | 124.5 | 36% | 0.362 | 67% | 0.672 | S | S | . | * | trans | -64.7 | 109.1 | -156.1 | -46.7 | 0 | 0 | 0 | 0 | 112.5 | K1919 S1987 N1991 | K1919-T1989 HydrophobicContact CG-CG2 4.33Å; S1987-T1989 PolarHBondContact O-N 3.26Å; S1987-T1989 PolarHBondContact O-OG1 3.37Å; T1989-N1991 PolarHBondContact O-N 2.92Å; T1989-N1991 VanDerWaalsContact O-N 3.07Å | ||
| 1990 | E | 36.3 | Very low | 34.1 | Very low | 75 Ų | 75 | 125.1 Ų | 125.1 | 35% | 0.35 | 68% | 0.677 | S | S | . | * | trans | -54.4 | 111.5 | -178.4 | -80.4 | 146.5 | 110.3 | 0 | 0 | 112.1 | K1919 V1920 D1988 | K1919-E1990 VanDerWaalsContact CB-OE2 3.24Å; K1919-E1990 WeakPolarHBondContact CB-OE2 3.22Å; K1919-E1990 WeakPolarHBondContact CD-OE2 3.4Å; K1919-E1990 WeakPolarHBondContact CE-OE2 3.37Å; K1919-E1990 HydrophobicContact CG-CB 4.32Å; K1919-E1990 WeakPolarHBondContact CG-OE2 3.37Å; K1919-E1990 IonicContact NZ-OE2 2.66Å; K1919-E1990 PolarHBondContact NZ-OE2 2.72Å; V1920-E1990 HydrophobicContact CB-CB 3.65Å; V1920-E1990 HydrophobicContact CB-CG 4.41Å; V1920-E1990 HydrophobicContact CG1-CB 4.11Å; V1920-E1990 HydrophobicContact CG2-CB 3.82Å; V1920-E1990 WeakPolarHBondContact CG2-O 3.1Å; D1988-E1990 PolarHBondContact O-N 2.85Å; D1988-E1990 VanDerWaalsContact O-N 3.1Å | ||
| 1991 | N | 35.8 | Very low | 34.9 | Very low | 153 Ų | 153 | 124.1 Ų | 124.1 | 82% | 0.818 | 68% | 0.677 | S | S | * | * | trans | -92 | 100.3 | 167.3 | -69.1 | -61.7 | 0 | 0 | 0 | 108.4 | T1989 P1993 | T1989-N1991 PolarHBondContact O-N 2.92Å; T1989-N1991 VanDerWaalsContact O-N 3.07Å; N1991-P1993 VanDerWaalsContact O-CD 3.3Å; N1991-P1993 WeakPolarHBondContact O-CD 3.31Å | ||
| 1992 | D | 37.7 | Very low | 35.4 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 59% | 0.588 | 67% | 0.673 | S | S | * | * | trans | -84.1 | 107.4 | 169 | -172 | 22.8 | 0 | 0 | 0 | 108.8 | V1920 T1922 H1994 | V1920-D1992 HydrophobicContact CG1-CB 4.42Å; T1922-D1992 HydrophobicContact CG2-CB 4.23Å; T1922-D1992 WeakPolarHBondContact CG2-OD2 3.12Å; D1992-H1994 PolarHBondContact O-N 2.65Å | ||
| 1993 | P | 41 | Very low | 36.2 | Very low | 71 Ų | 71 | 122.7 Ų | 122.7 | 46% | 0.461 | 68% | 0.677 | S | S | . | * | trans | -79.9 | 119 | -173.3 | 0.1 | 17.7 | 0 | 0 | 0 | 110.2 | N1991 Y1995 | N1991-P1993 VanDerWaalsContact O-CD 3.3Å; N1991-P1993 WeakPolarHBondContact O-CD 3.31Å; P1993-Y1995 HydrophobicContact CB-CD2 4.45Å; P1993-Y1995 HydrophobicContact CB-CE2 3.7Å; P1993-Y1995 HydrophobicContact CG-CE2 4.05Å; P1993-Y1995 WeakPolarHBondContact O-CD2 3.09Å; P1993-Y1995 VanDerWaalsContact O-CE2 3.29Å; P1993-Y1995 WeakPolarHBondContact O-CE2 2.93Å; P1993-Y1995 PolarHBondContact O-N 2.86Å | ||
| 1994 | H | 37.2 | Very low | 37 | Very low | 152 Ų | 152 | 122.4 Ų | 122.4 | 70% | 0.704 | 68% | 0.675 | S | S | * | * | trans | -76.9 | 117.2 | 175.2 | -170.8 | 64.6 | 0 | 0 | 0 | 111 | D1992 | D1992-H1994 PolarHBondContact O-N 2.65Š| ||
| 1995 | Y | 36.5 | Very low | 37.9 | Very low | 185 Ų | 185 | 124.4 Ų | 124.4 | 73% | 0.725 | 67% | 0.672 | S | S | * | * | trans | -104.5 | 123.2 | 177.9 | -64 | -85.6 | 0 | 0 | 0 | 111.5 | P1993 | P1993-Y1995 HydrophobicContact CB-CD2 4.45Å; P1993-Y1995 HydrophobicContact CB-CE2 3.7Å; P1993-Y1995 HydrophobicContact CG-CE2 4.05Å; P1993-Y1995 WeakPolarHBondContact O-CD2 3.09Å; P1993-Y1995 VanDerWaalsContact O-CE2 3.29Å; P1993-Y1995 WeakPolarHBondContact O-CE2 2.93Å; P1993-Y1995 PolarHBondContact O-N 2.86Å | ||
| 1996 | E | 44.1 | Very low | 38.5 | Very low | 153 Ų | 153 | 122.2 Ų | 122.2 | 72% | 0.715 | 66% | 0.656 | S | S | * | * | trans | -83.1 | 137.6 | 166.8 | -66.5 | -168.3 | 151.9 | 0 | 0 | 110.4 | I1998 | E1996-I1998 PolarHBondContact O-N 3.37Š| ||
| 1997 | P | 37.1 | Very low | 39.5 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 69% | 0.688 | 66% | 0.664 | S | S | * | * | trans | -68.6 | 114.9 | -174.4 | -20.8 | 33.4 | 0 | 0 | 0 | 113.4 | V1999 | P1997-V1999 VanDerWaalsContact C-N 3.26Å; P1997-V1999 PolarHBondContact O-N 3.08Å | ||
| 1998 | I | 52.6 | Low | 40.6 | Very low | 154 Ų | 154 | 128.4 Ų | 128.4 | 79% | 0.79 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -74.3 | -14.6 | 179.9 | -64.9 | 169.7 | 0 | 0 | 0 | 112.7 | E1996 | E1996-I1998 PolarHBondContact O-N 3.37Š|
| 1999 | V | 37.5 | Very low | 42.7 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 69% | 0.685 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -108.4 | 125.7 | 178.5 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | P1997 L2001 | P1997-V1999 VanDerWaalsContact C-N 3.26Å; P1997-V1999 PolarHBondContact O-N 3.08Å; V1999-L2001 PolarHBondContact O-N 3.45Å |
| 2000 | P | 41.7 | Very low | 44.8 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 77% | 0.766 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 123.5 | 179 | 25.1 | -33.3 | 0 | 0 | 0 | 110.2 | ||
| 2001 | L | 41.6 | Very low | 46.8 | Very low | 145 Ų | 145 | 122.7 Ų | 122.7 | 76% | 0.759 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 141 | 178.8 | -67.1 | 169.1 | 0 | 0 | 0 | 110 | V1999 | V1999-L2001 PolarHBondContact O-N 3.45Š|
| 2002 | P | 37.7 | Very low | 48.9 | Very low | 119 Ų | 119 | 120.2 Ų | 120.2 | 77% | 0.773 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 148.2 | 175.7 | 25 | -33.8 | 0 | 0 | 0 | 110.4 | L2004 | P2002-L2004 PolarHBondContact O-N 2.63Š|
| 2003 | K | 43.2 | Very low | 50.9 | Low | 202 Ų | 202 | 120.5 Ų | 120.5 | 88% | 0.878 | 64% | 0.64 | S | S | * | * | trans | -43.8 | 129.4 | -175.8 | -70.8 | -169.9 | 175.1 | -168 | 0 | 110.8 | V2005 | K2003-V2005 PolarHBondContact O-N 2.73Š| ||
| 2004 | L | 41.6 | Very low | 53.3 | Low | 158 Ų | 158 | 117.6 Ų | 117.6 | 83% | 0.827 | 62% | 0.62 | S | S | * | * | trans | -46.8 | 113.4 | -176 | -174.3 | 69.4 | 0 | 0 | 0 | 110.1 | P2002 E2006 | P2002-L2004 PolarHBondContact O-N 2.63Å; L2004-E2006 PolarHBondContact O-N 3.46Å; L2004-E2006 VanDerWaalsContact O-N 3.13Å | ||
| 2005 | V | 45.3 | Very low | 55.8 | Low | 120 Ų | 120 | 110.8 Ų | 110.8 | 73% | 0.727 | 59% | 0.589 | S | S | * | * | trans | -70.1 | 110.6 | 172.1 | 177.6 | 0 | 0 | 0 | 0 | 106.4 | K2003 V2007 | K2003-V2005 PolarHBondContact O-N 2.73Å; V2005-V2007 WeakPolarHBondContact O-CG2 3.29Å; V2005-V2007 PolarHBondContact O-N 2.72Å | ||
| 2006 | E | 40.9 | Very low | 58.5 | Low | 113 Ų | 113 | 102.1 Ų | 102.1 | 53% | 0.528 | 56% | 0.555 | S | S | . | * | trans | -59.5 | 100.5 | 173.7 | -74.8 | 178.9 | -166 | 0 | 0 | 109.8 | L2004 K2008 | L2004-E2006 PolarHBondContact O-N 3.46Å; L2004-E2006 VanDerWaalsContact O-N 3.13Å; E2006-K2008 PolarHBondContact O-N 2.72Å; E2006-K2008 WeakPolarHBondContact OE2-CE 3.3Å; E2006-K2008 IonicContact OE2-NZ 2.72Å | ||
| 2007 | V | 49.1 | Very low | 60.8 | Low | 129 Ų | 129 | 95.2 Ų | 95.2 | 78% | 0.782 | 52% | 0.523 | S | S | * | . | trans | -78.2 | 79 | 177.3 | -173 | 0 | 0 | 0 | 0 | 108.7 | V2005 T2009 | V2005-V2007 WeakPolarHBondContact O-CG2 3.29Å; V2005-V2007 PolarHBondContact O-N 2.72Å; V2007-T2009 PolarHBondContact O-N 3.35Å | ||
| 2008 | K | 51.1 | Low | 63.6 | Low | 149 Ų | 149 | 90.4 Ų | 90.4 | 65% | 0.648 | 49% | 0.492 | S | S | * | . | trans | -62.2 | 130.4 | 171.7 | -58.1 | -164.3 | 179.2 | -164.2 | 0 | 109.1 | E2006 G2010 E2012 | E2006-K2008 PolarHBondContact O-N 2.72Å; E2006-K2008 WeakPolarHBondContact OE2-CE 3.3Å; E2006-K2008 IonicContact OE2-NZ 2.72Å; K2008-G2010 PolarHBondContact O-N 2.8Å; K2008-E2012 HydrophobicContact CB-CG 4.45Å | ||
| 2009 | T | 74.9 | Confident | 65.7 | Low | 68 Ų | 68 | 84.3 Ų | 84.3 | 42% | 0.417 | 46% | 0.46 | S | S | . | . | trans | -71.7 | -20.5 | -173.1 | 62.2 | 0 | 0 | 0 | 0 | 113.1 | V2007 E2011 E2012 R2079 | V2007-T2009 PolarHBondContact O-N 3.35Å; T2009-E2011 VanDerWaalsContact C-N 3.26Å; T2009-E2011 WeakPolarHBondContact OG1-CB 3.47Å; T2009-E2011 PolarHBondContact OG1-N 3.35Å; T2009-E2012 WeakPolarHBondContact CB-OE1 3.12Å; T2009-E2012 PolarHBondContact N-OE1 3.28Å; T2009-E2012 PolarHBondContact OG1-OE1 2.86Å; T2009-R2079 PolarHBondContact O-NH2 2.61Å | ||
| 2010 | G | 77.2 | Confident | 68.4 | Low | 49 Ų | 49 | 83 Ų | 83 | 51% | 0.505 | 44% | 0.443 | S | S | . | . | S | Bend | trans | 75 | 15.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K2008 R2075 | K2008-G2010 PolarHBondContact O-N 2.8Å; G2010-R2075 PolarHBondContact O-NH2 2.91Å |
| 2011 | E | 79.8 | Confident | 71 | Confident | 10 Ų | 10 | 83.7 Ų | 83.7 | 5% | 0.047 | 43% | 0.431 | C | S | . | . | trans | -111.7 | -5.1 | 175.8 | -57.1 | 169.8 | -142.6 | 0 | 0 | 111.5 | T2009 E2013 E2014 K2041 L2043 L2077 R2079 | T2009-E2011 VanDerWaalsContact C-N 3.26Å; T2009-E2011 WeakPolarHBondContact OG1-CB 3.47Å; T2009-E2011 PolarHBondContact OG1-N 3.35Å; E2011-E2013 VanDerWaalsContact C-N 3.31Å; E2011-E2013 PolarHBondContact O-N 3.29Å; E2011-E2014 PolarHBondContact O-N 3.25Å; E2011-E2014 VanDerWaalsContact O-N 3.15Å; E2011-K2041 WeakPolarHBondContact OE2-CE 3.15Å; E2011-K2041 IonicContact OE2-NZ 3.6Å; E2011-K2041 PolarHBondContact OE2-NZ 3.2Å; E2011-L2043 HydrophobicContact CB-CD1 4.42Å; E2011-L2043 HydrophobicContact CG-CD1 4.08Å; E2011-L2077 HydrophobicContact CG-CD1 4.22Å; E2011-L2077 WeakPolarHBondContact OE1-CD2 3.31Å; E2011-R2079 IonicContact OE1-CZ 3.55Å; E2011-R2079 VanDerWaalsContact OE1-CZ 3.23Å; E2011-R2079 IonicContact OE1-NE 3.51Å; E2011-R2079 PolarHBondContact OE1-NE 3.43Å; E2011-R2079 IonicContact OE1-NH2 2.97Å; E2011-R2079 PolarHBondContact OE1-NH2 3.48Å | ||
| 2012 | E | 78.3 | Confident | 73.5 | Confident | 100 Ų | 100 | 77 Ų | 77 | 47% | 0.467 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -27.5 | -170.9 | -32.2 | -63 | 150.2 | 0 | 0 | 114.7 | K2008 T2009 | K2008-E2012 HydrophobicContact CB-CG 4.45Å; T2009-E2012 WeakPolarHBondContact CB-OE1 3.12Å; T2009-E2012 PolarHBondContact N-OE1 3.28Å; T2009-E2012 PolarHBondContact OG1-OE1 2.86Å |
| 2013 | E | 80.9 | Confident | 76.3 | Confident | 117 Ų | 117 | 77.3 Ų | 77.3 | 55% | 0.547 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 14.7 | -179.1 | -62.7 | 177.7 | -174 | 0 | 0 | 112.2 | E2011 Q2045 | E2011-E2013 VanDerWaalsContact C-N 3.31Å; E2011-E2013 PolarHBondContact O-N 3.29Å; E2013-Q2045 PolarHBondContact OE2-NE2 3.35Å |
| 2014 | E | 90.2 | Very high | 78.8 | Confident | 10 Ų | 10 | 67.7 Ų | 67.7 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | trans | -125.2 | 127.1 | -174.1 | -54.1 | -174.6 | 162 | 0 | 0 | 111.4 | E2011 L2043 V2044 Q2045 R2073 R2075 | E2011-E2014 PolarHBondContact O-N 3.25Å; E2011-E2014 VanDerWaalsContact O-N 3.15Å; E2014-L2043 HydrophobicContact CB-CB 4.13Å; E2014-L2043 WeakPolarHBondContact OE2-CB 3.49Å; E2014-L2043 VanDerWaalsContact OE2-CD1 3.22Å; E2014-L2043 WeakPolarHBondContact OE2-CD1 3.35Å; E2014-V2044 CarbonylContact C-O 3.55Å; E2014-V2044 WeakPolarHBondContact CA-O 3.27Å; E2014-Q2045 HydrophobicContact CG-CB 4.22Å; E2014-R2073 IonicContact OE1-CZ 2.68Å; E2014-R2073 VanDerWaalsContact OE1-CZ 3.22Å; E2014-R2073 IonicContact OE1-NH1 3.5Å; E2014-R2073 IonicContact OE1-NH2 3.4Å; E2014-R2073 PolarHBondContact OE1-NH2 2.74Å; E2014-R2075 VanDerWaalsContact CD-NH2 3.25Å; E2014-R2075 IonicContact OE1-CZ 2.56Å; E2014-R2075 IonicContact OE1-NE 3.94Å; E2014-R2075 PolarHBondContact OE1-NE 3.4Å; E2014-R2075 IonicContact OE1-NH2 2.72Å; E2014-R2075 PolarHBondContact OE1-NH2 3.29Å; E2014-R2075 IonicContact OE2-CZ 3.02Å; E2014-R2075 IonicContact OE2-NE 2.63Å; E2014-R2075 PolarHBondContact OE2-NE 3.24Å; E2014-R2075 IonicContact OE2-NH2 2.69Å; E2014-R2075 PolarHBondContact OE2-NH2 2.88Å | ||
| 2015 | L | 89.6 | Confident | 81.4 | Confident | 9 Ų | 9 | 61.5 Ų | 61.5 | 5% | 0.047 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 135.2 | 177.6 | -63 | 176.8 | 0 | 0 | 0 | 110.8 | L2043 V2044 P2046 M2049 A2053 V2062 L2068 | L2015-L2043 WeakPolarHBondContact O-CA 3.19Å; L2015-V2044 HydrophobicContact CB-CG2 3.99Å; L2015-V2044 PolarHBondContact N-O 3.44Å; L2015-V2044 PolarHBondContact O-N 2.82Å; L2015-P2046 HydrophobicContact CD1-CG 3.87Å; L2015-P2046 HydrophobicContact CG-CG 4.43Å; L2015-M2049 HydrophobicContact CD2-CE 4.08Å; L2015-M2049 HydrophobicContact CG-CE 4.49Å; L2015-M2049 HydrophobicContact CG-SD 4.48Å; L2015-A2053 HydrophobicContact CD1-CB 4.1Å; L2015-A2053 HydrophobicContact CD2-CB 4.14Å; L2015-V2062 HydrophobicContact CB-CG2 4.04Å; L2015-V2062 HydrophobicContact CD1-CG2 4.49Å; L2015-V2062 HydrophobicContact CD2-CG2 4.45Å; L2015-L2068 HydrophobicContact CD1-CD2 4.46Å |
| 2016 | C | 93.4 | Very high | 83.7 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.02 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 123.3 | 176.8 | -167.7 | 0 | 0 | 0 | 0 | 110.6 | F2018 L2043 I2061 V2062 | C2016-F2018 PolarHBondContact SG-O 2.79Å; C2016-L2043 HydrophobicContact CB-CD2 3.99Å; C2016-I2061 WeakPolarHBondContact O-CA 2.73Å; C2016-V2062 PolarHBondContact O-N 3.27Å |
| 2017 | I | 93.8 | Very high | 86.1 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | -1.2 | 177.6 | 67.2 | 165.4 | 0 | 0 | 0 | 112.9 | V2042 V2044 V2062 L2068 A2144 A2148 | I2017-V2042 HydrophobicContact CD1-CB 4.45Å; I2017-V2042 HydrophobicContact CD1-CG1 3.76Å; I2017-V2042 HydrophobicContact CG1-CB 3.85Å; I2017-V2042 HydrophobicContact CG1-CG1 3.65Å; I2017-V2042 PolarHBondContact N-O 2.72Å; I2017-V2044 HydrophobicContact CD1-CG1 3.88Å; I2017-V2044 HydrophobicContact CG1-CG1 4.31Å; I2017-V2044 HydrophobicContact CG2-CG1 4.39Å; I2017-V2044 HydrophobicContact CG2-CG2 3.89Å; I2017-V2062 HydrophobicContact CG2-CB 4.37Å; I2017-L2068 HydrophobicContact CG2-CD1 3.75Å; I2017-A2144 HydrophobicContact CD1-CB 4.4Å; I2017-A2144 VanDerWaalsContact CD1-O 3.28Å; I2017-A2144 WeakPolarHBondContact CD1-O 3.33Å; I2017-A2144 HydrophobicContact CG1-CB 4.4Å; I2017-A2148 HydrophobicContact CD1-CB 3.98Å |
| 2018 | F | 95.8 | Very high | 87.9 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 2% | 0.022 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 135.3 | 172.5 | 178.1 | -92.4 | 0 | 0 | 0 | 110.7 | C2016 R2020 V2040 K2041 V2042 F2132 D2137 E2140 F2141 A2144 | C2016-F2018 PolarHBondContact SG-O 2.79Å; F2018-R2020 HydrophobicContact CD2-CG 4.42Å; F2018-R2020 HydrophobicContact CE1-CB 3.71Å; F2018-R2020 HydrophobicContact CE1-CG 3.89Å; F2018-R2020 HydrophobicContact CE2-CB 4.25Å; F2018-R2020 HydrophobicContact CE2-CG 3.52Å; F2018-R2020 HydrophobicContact CZ-CB 3.44Å; F2018-R2020 VanDerWaalsContact CZ-CB 3.44Å; F2018-R2020 HydrophobicContact CZ-CG 3.22Å; F2018-V2040 HydrophobicContact CE1-CG1 3.98Å; F2018-K2041 VanDerWaalsContact O-CA 3.3Å; F2018-K2041 WeakPolarHBondContact O-CA 3.04Å; F2018-V2042 HydrophobicContact CB-CB 3.99Å; F2018-V2042 HydrophobicContact CB-CG2 3.94Å; F2018-V2042 HydrophobicContact CD1-CG2 4.34Å; F2018-V2042 HydrophobicContact CG-CG2 4.45Å; F2018-V2042 PolarHBondContact O-N 3.33Å; F2018-V2042 VanDerWaalsContact O-N 3.09Å; F2018-F2132 AromaticContact CE1-CE1 3.9Å; F2018-F2132 HydrophobicContact CE1-CE1 3.9Å; F2018-F2132 AromaticContact CE1-CZ 3.88Å; F2018-F2132 HydrophobicContact CE1-CZ 3.88Å; F2018-F2132 AromaticContact CZ-CE1 3.79Å; F2018-F2132 HydrophobicContact CZ-CE1 3.79Å; F2018-F2132 AromaticContact CZ-CZ 3.85Å; F2018-F2132 HydrophobicContact CZ-CZ 3.85Å; F2018-D2137 WeakPolarHBondContact CZ-O 3.27Å; F2018-E2140 HydrophobicContact CD2-CB 4.09Å; F2018-E2140 HydrophobicContact CE2-CB 3.61Å; F2018-F2141 AromaticContact CD1-CD2 3.69Å; F2018-F2141 HydrophobicContact CD1-CD2 3.69Å; F2018-F2141 HydrophobicContact CD2-CB 4.47Å; F2018-F2141 HydrophobicContact CE1-CB 3.91Å; F2018-F2141 AromaticContact CE1-CD2 3.56Å; F2018-F2141 HydrophobicContact CE1-CD2 3.56Å; F2018-F2141 HydrophobicContact CE1-CG 4.16Å; F2018-F2141 HydrophobicContact CE2-CB 3.89Å; F2018-F2141 HydrophobicContact CG-CD2 4.35Å; F2018-F2141 HydrophobicContact CZ-CB 3.54Å; F2018-F2141 HydrophobicContact CZ-CD2 4.12Å; F2018-F2141 HydrophobicContact CZ-CG 4.29Å; F2018-A2144 HydrophobicContact CB-CB 3.56Å; F2018-A2144 HydrophobicContact CD2-CB 4.28Å; F2018-A2144 HydrophobicContact CG-CB 4.18Å |
| 2019 | L | 95.4 | Very high | 89.6 | Confident | 26 Ų | 26 | 51.1 Ų | 51.1 | 14% | 0.136 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 107.6 | 174.6 | -176.8 | 75.3 | 0 | 0 | 0 | 110.3 | E2039 K2041 R2059 I2061 | L2019-E2039 HydrophobicContact CD1-CB 4.06Å; L2019-E2039 WeakPolarHBondContact CD1-OE2 3.47Å; L2019-K2041 HydrophobicContact CD1-CD 4.26Å; L2019-K2041 HydrophobicContact CD1-CG 3.54Å; L2019-R2059 HydrophobicContact CD2-CB 4.2Å; L2019-I2061 HydrophobicContact CB-CD1 3.99Å; L2019-I2061 HydrophobicContact CB-CG1 4Å |
| 2020 | R | 95.7 | Very high | 89.9 | Confident | 84 Ų | 84 | 55.4 Ų | 55.4 | 32% | 0.317 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 154.6 | 172.4 | -63.7 | -68.5 | -178.2 | -122.8 | 2.4 | 111.8 | F2018 E2039 V2040 F2132 D2137 E2140 | F2018-R2020 HydrophobicContact CD2-CG 4.42Å; F2018-R2020 HydrophobicContact CE1-CB 3.71Å; F2018-R2020 HydrophobicContact CE1-CG 3.89Å; F2018-R2020 HydrophobicContact CE2-CB 4.25Å; F2018-R2020 HydrophobicContact CE2-CG 3.52Å; F2018-R2020 HydrophobicContact CZ-CB 3.44Å; F2018-R2020 VanDerWaalsContact CZ-CB 3.44Å; F2018-R2020 HydrophobicContact CZ-CG 3.22Å; R2020-E2039 WeakPolarHBondContact O-CA 3.38Å; R2020-V2040 PolarHBondContact N-O 2.88Å; R2020-V2040 PolarHBondContact O-N 2.91Å; R2020-F2132 HydrophobicContact CB-CD1 4.07Å; R2020-F2132 HydrophobicContact CB-CE1 3.8Å; R2020-D2137 WeakPolarHBondContact CD-OD1 3.28Å; R2020-D2137 HydrophobicContact CG-CB 4.26Å; R2020-D2137 IonicContact NE-OD1 3.16Å; R2020-D2137 PolarHBondContact NE-OD1 3.48Å; R2020-E2140 IonicContact CZ-OE2 2.7Å; R2020-E2140 VanDerWaalsContact CZ-OE2 3.29Å; R2020-E2140 IonicContact NE-OE2 3.27Å; R2020-E2140 PolarHBondContact NE-OE2 3.02Å; R2020-E2140 IonicContact NH2-OE1 2.75Å; R2020-E2140 IonicContact NH2-OE2 3.51Å; R2020-E2140 PolarHBondContact NH2-OE2 2.88Å |
| 2021 | R | 95.1 | Very high | 90.2 | Very high | 134 Ų | 134 | 55.2 Ų | 55.2 | 51% | 0.506 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 127.9 | 177.9 | -168.3 | -176.8 | -176.8 | 93.6 | -1 | 111.1 | G2038 E2039 D2081 | R2021-G2038 CarbonylContact C-O 3.47Å; R2021-G2038 WeakPolarHBondContact CA-O 3.17Å; R2021-G2038 WeakPolarHBondContact CG-O 3.35Å; R2021-E2039 HydrophobicContact CB-CG 4.18Å; R2021-D2081 IonicContact CZ-OD1 2.77Å; R2021-D2081 VanDerWaalsContact CZ-OD1 3.22Å; R2021-D2081 IonicContact CZ-OD2 3.49Å; R2021-D2081 IonicContact NE-OD2 2.64Å; R2021-D2081 IonicContact NH1-OD1 3.84Å; R2021-D2081 PolarHBondContact NH1-OD1 3.36Å; R2021-D2081 IonicContact NH1-OD2 3.53Å; R2021-D2081 IonicContact NH2-OD1 2.59Å; R2021-D2081 PolarHBondContact NH2-OD1 3.12Å; R2021-D2081 VanDerWaalsContact NH2-OD1 3.09Å; R2021-D2081 IonicContact NH2-OD2 2.73Å; R2021-D2081 PolarHBondContact NH2-OD2 3.43Å |
| 2022 | C | 95.4 | Very high | 90.7 | Very high | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 174.6 | -179.2 | 74.8 | 0 | 0 | 0 | 0 | 112.5 | G2038 V2040 M2078 V2130 R2131 F2132 | C2022-G2038 PolarHBondContact N-O 3.44Å; C2022-G2038 PolarHBondContact O-N 2.67Å; C2022-V2040 HydrophobicContact CB-CG1 4.38Å; C2022-V2040 VanDerWaalsContact SG-CG1 3.55Å; C2022-M2078 WeakPolarHBondContact O-CE 2.88Å; C2022-V2130 HydrophobicContact CB-CB 4.27Å; C2022-R2131 WeakPolarHBondContact CA-O 3.44Å; C2022-R2131 WeakPolarHBondContact CB-O 3.49Å; C2022-F2132 HydrophobicContact CB-CD1 3.61Å; C2022-F2132 HydrophobicContact CB-CE1 3.59Å; C2022-F2132 HydrophobicContact CB-CG 4.22Å; C2022-F2132 HydrophobicContact CB-CZ 4.22Å |
| 2023 | R | 95.9 | Very high | 91.2 | Very high | 125 Ų | 125 | 58.5 Ų | 58.5 | 47% | 0.472 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124.6 | 162.6 | -60.1 | -165.2 | -178.5 | -176.3 | 3.3 | 109.3 | Y2025 E2034 V2037 V2130 R2131 | R2023-Y2025 HydrophobicContact CB-CE2 3.65Å; R2023-Y2025 WeakPolarHBondContact CD-OH 3.07Å; R2023-Y2025 WeakPolarHBondContact O-CE2 3.3Å; R2023-E2034 IonicContact NH1-OE1 2.62Å; R2023-E2034 PolarHBondContact NH1-OE1 2.96Å; R2023-E2034 VanDerWaalsContact NH1-OE1 3.11Å; R2023-V2037 HydrophobicContact CB-CG2 4.47Å; R2023-V2037 HydrophobicContact CG-CG1 4.15Å; R2023-V2037 HydrophobicContact CG-CG2 3.92Å; R2023-V2130 CarbonylContact O-C 3.56Å; R2023-V2130 VanDerWaalsContact O-CA 3.32Å; R2023-V2130 WeakPolarHBondContact O-CA 3.4Å; R2023-R2131 PolarHBondContact N-O 2.67Å; R2023-R2131 PolarHBondContact O-N 3.19Å |
| 2024 | A | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 142.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R2035 G2036 M2078 L2088 A2129 V2130 | A2024-R2035 HydrophobicContact CB-CB 4.26Å; A2024-R2035 PolarHBondContact O-N 3.46Å; A2024-G2036 PolarHBondContact N-O 3.08Å; A2024-G2036 PolarHBondContact O-N 2.83Å; A2024-M2078 HydrophobicContact CB-CE 4.13Å; A2024-M2078 HydrophobicContact CB-SD 3.53Å; A2024-M2078 VanDerWaalsContact CB-SD 3.53Å; A2024-L2088 HydrophobicContact CB-CD1 3.96Å; A2024-L2088 HydrophobicContact CB-CD2 4.45Å; A2024-L2088 HydrophobicContact CB-CG 4.19Å; A2024-A2129 CarbonylContact C-O 3.52Å; A2024-A2129 WeakPolarHBondContact CA-O 3.35Å; A2024-V2130 HydrophobicContact CB-CG1 4.26Å |
| 2025 | Y | 94.8 | Very high | 91.8 | Very high | 27 Ų | 27 | 59.7 Ų | 59.7 | 11% | 0.106 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 148.3 | 177.2 | -59.6 | -99.2 | 0 | 0 | 0 | 109.1 | R2023 W2032 K2033 E2034 A2129 R2131 | R2023-Y2025 HydrophobicContact CB-CE2 3.65Å; R2023-Y2025 WeakPolarHBondContact CD-OH 3.07Å; R2023-Y2025 WeakPolarHBondContact O-CE2 3.3Å; Y2025-W2032 HydrophobicContact CD1-CB 4.45Å; Y2025-K2033 CarbonylContact C-O 3.52Å; Y2025-K2033 VanDerWaalsContact CA-O 3.29Å; Y2025-K2033 WeakPolarHBondContact CA-O 3.4Å; Y2025-E2034 HydrophobicContact CD1-CB 4.47Å; Y2025-E2034 HydrophobicContact CD1-CG 3.68Å; Y2025-E2034 HydrophobicContact CE1-CB 4.36Å; Y2025-E2034 HydrophobicContact CE1-CG 3.15Å; Y2025-E2034 PolarHBondContact OH-OE1 3.34Å; Y2025-A2129 PolarHBondContact N-O 3.01Å; Y2025-A2129 PolarHBondContact O-N 3.17Å; Y2025-R2131 HydrophobicContact CE2-CB 3.97Å |
| 2026 | R | 94 | Very high | 91.9 | Very high | 64 Ų | 64 | 59.6 Ų | 59.6 | 24% | 0.242 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 144.4 | 165.8 | 62.7 | 169.9 | -179.2 | -174.6 | -3.2 | 110.5 | V2028 K2033 R2035 E2120 E2126 L2128 | R2026-V2028 HydrophobicContact CB-CG2 4.37Å; R2026-V2028 HydrophobicContact CG-CG2 3.8Å; R2026-V2028 PolarHBondContact O-N 3.42Å; R2026-K2033 PolarHBondContact N-O 2.86Å; R2026-K2033 PolarHBondContact O-N 2.65Å; R2026-R2035 HydrophobicContact CG-CB 4.37Å; R2026-E2120 IonicContact NH1-OE1 2.65Å; R2026-E2126 WeakPolarHBondContact CB-OE2 3.46Å; R2026-E2126 WeakPolarHBondContact CD-OE1 3.48Å; R2026-E2126 WeakPolarHBondContact CD-OE2 3.48Å; R2026-E2126 IonicContact CZ-OE1 2.63Å; R2026-E2126 IonicContact NE-OE1 3.97Å; R2026-E2126 IonicContact NH1-OE1 3.66Å; R2026-E2126 PolarHBondContact NH1-OE1 2.68Å; R2026-L2128 HydrophobicContact CB-CD2 4.17Å |
| 2027 | Y | 91.5 | Very high | 92 | Very high | 104 Ų | 104 | 61.9 Ų | 61.9 | 41% | 0.408 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 103.8 | 179.5 | -170.5 | -107.8 | 0 | 0 | 0 | 110 | K2030 A2031 W2032 T2127 | Y2027-K2030 VanDerWaalsContact CE2-C 3.42Å; Y2027-K2030 WeakPolarHBondContact CE2-O 3.15Å; Y2027-K2030 PolarHBondContact OH-O 3.22Å; Y2027-A2031 WeakPolarHBondContact CA-O 3.29Å; Y2027-W2032 AromaticContact CD2-CD2 3.87Å; Y2027-W2032 HydrophobicContact CD2-CD2 3.87Å; Y2027-W2032 AromaticContact CD2-CE2 3.81Å; Y2027-W2032 HydrophobicContact CD2-CE3 4.39Å; Y2027-W2032 HydrophobicContact CD2-CG 4.07Å; Y2027-W2032 HydrophobicContact CD2-CZ2 4.3Å; Y2027-W2032 AromaticContact CD2-NE1 3.92Å; Y2027-T2127 PolarHBondContact N-O 2.6Å |
| 2028 | V | 87.1 | Confident | 92 | Very high | 46 Ų | 46 | 61.5 Ų | 61.5 | 28% | 0.279 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 137.6 | -175.5 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | R2026 K2030 A2031 K2033 | R2026-V2028 HydrophobicContact CB-CG2 4.37Å; R2026-V2028 HydrophobicContact CG-CG2 3.8Å; R2026-V2028 PolarHBondContact O-N 3.42Å; V2028-K2030 VanDerWaalsContact C-N 3.33Å; V2028-K2030 PolarHBondContact O-N 3.03Å; V2028-A2031 PolarHBondContact N-O 2.71Å; V2028-A2031 PolarHBondContact O-N 2.78Å; V2028-A2031 VanDerWaalsContact O-N 3.15Å; V2028-K2033 HydrophobicContact CB-CD 4.33Å |
| 2029 | D | 86.4 | Confident | 92 | Very high | 80 Ų | 80 | 64.2 Ų | 64.2 | 43% | 0.428 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 39.5 | -175 | -50.1 | -50 | 0 | 0 | 0 | 114 | A2031 K2033 | D2029-A2031 PolarHBondContact O-N 3.47Å; D2029-K2033 IonicContact OD2-NZ 3.74Å; D2029-K2033 PolarHBondContact OD2-NZ 3.5Å |
| 2030 | K | 81.1 | Confident | 92 | Very high | 157 Ų | 157 | 63 Ų | 63 | 68% | 0.683 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 17.2 | -173.7 | -51.7 | 176.3 | -174.3 | 167.3 | 0 | 114.9 | Y2027 V2028 | Y2027-K2030 VanDerWaalsContact CE2-C 3.42Å; Y2027-K2030 WeakPolarHBondContact CE2-O 3.15Å; Y2027-K2030 PolarHBondContact OH-O 3.22Å; V2028-K2030 VanDerWaalsContact C-N 3.33Å; V2028-K2030 PolarHBondContact O-N 3.03Å |
| 2031 | A | 84.4 | Confident | 92 | Very high | 45 Ų | 45 | 60.1 Ų | 60.1 | 37% | 0.372 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 148.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y2027 V2028 D2029 K2033 | Y2027-A2031 WeakPolarHBondContact CA-O 3.29Å; V2028-A2031 PolarHBondContact N-O 2.71Å; V2028-A2031 PolarHBondContact O-N 2.78Å; V2028-A2031 VanDerWaalsContact O-N 3.15Å; D2029-A2031 PolarHBondContact O-N 3.47Å; A2031-K2033 PolarHBondContact O-N 2.78Å |
| 2032 | W | 89 | Confident | 92.1 | Very high | 90 Ų | 90 | 53.8 Ų | 53.8 | 34% | 0.341 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 116.1 | 169.5 | -70.5 | 107.5 | 0 | 0 | 0 | 109.9 | Y2025 Y2027 M2102 C2112 T2127 A2129 | Y2025-W2032 HydrophobicContact CD1-CB 4.45Å; Y2027-W2032 AromaticContact CD2-CD2 3.87Å; Y2027-W2032 HydrophobicContact CD2-CD2 3.87Å; Y2027-W2032 AromaticContact CD2-CE2 3.81Å; Y2027-W2032 HydrophobicContact CD2-CE3 4.39Å; Y2027-W2032 HydrophobicContact CD2-CG 4.07Å; Y2027-W2032 HydrophobicContact CD2-CZ2 4.3Å; Y2027-W2032 AromaticContact CD2-NE1 3.92Å; W2032-M2102 HydrophobicContact CD2-SD 4.14Å; W2032-M2102 HydrophobicContact CG-SD 4.48Å; W2032-M2102 HydrophobicContact CZ2-CG 4.03Å; W2032-M2102 HydrophobicContact CZ2-SD 4.28Å; W2032-C2112 HydrophobicContact CH2-CB 3.81Å; W2032-C2112 HydrophobicContact CZ2-CB 4.07Å; W2032-T2127 HydrophobicContact CH2-CG2 3.9Å; W2032-A2129 HydrophobicContact CE3-CB 4.06Å; W2032-A2129 HydrophobicContact CH2-CB 3.61Å; W2032-A2129 HydrophobicContact CZ2-CB 4.32Å; W2032-A2129 HydrophobicContact CZ3-CB 3.46Å; W2032-A2129 VanDerWaalsContact CZ3-CB 3.46Å |
| 2033 | K | 89.2 | Confident | 92.1 | Very high | 90 Ų | 90 | 53.6 Ų | 53.6 | 39% | 0.391 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 135.4 | 176.9 | -62.4 | -176 | -178.6 | -179.8 | 0 | 109.4 | Y2025 R2026 V2028 D2029 A2031 R2035 | Y2025-K2033 CarbonylContact C-O 3.52Å; Y2025-K2033 VanDerWaalsContact CA-O 3.29Å; Y2025-K2033 WeakPolarHBondContact CA-O 3.4Å; R2026-K2033 PolarHBondContact N-O 2.86Å; R2026-K2033 PolarHBondContact O-N 2.65Å; V2028-K2033 HydrophobicContact CB-CD 4.33Å; D2029-K2033 IonicContact OD2-NZ 3.74Å; D2029-K2033 PolarHBondContact OD2-NZ 3.5Å; A2031-K2033 PolarHBondContact O-N 2.78Å; K2033-R2035 PolarHBondContact O-N 3.33Å |
| 2034 | E | 92.6 | Very high | 92 | Very high | 113 Ų | 113 | 47.6 Ų | 47.6 | 53% | 0.528 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 127.8 | 177 | -78.5 | -171.2 | 163.2 | 0 | 0 | 110.4 | R2023 Y2025 | R2023-E2034 IonicContact NH1-OE1 2.62Å; R2023-E2034 PolarHBondContact NH1-OE1 2.96Å; R2023-E2034 VanDerWaalsContact NH1-OE1 3.11Å; Y2025-E2034 HydrophobicContact CD1-CB 4.47Å; Y2025-E2034 HydrophobicContact CD1-CG 3.68Å; Y2025-E2034 HydrophobicContact CE1-CB 4.36Å; Y2025-E2034 HydrophobicContact CE1-CG 3.15Å; Y2025-E2034 PolarHBondContact OH-OE1 3.34Å |
| 2035 | R | 91.8 | Very high | 91.7 | Very high | 38 Ų | 38 | 48.4 Ų | 48.4 | 14% | 0.143 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -36.4 | -177 | -177.6 | 55.2 | 173.2 | 173.3 | -5.6 | 111.5 | A2024 R2026 K2033 C2087 S2119 E2120 | A2024-R2035 HydrophobicContact CB-CB 4.26Å; A2024-R2035 PolarHBondContact O-N 3.46Å; R2026-R2035 HydrophobicContact CG-CB 4.37Å; K2033-R2035 PolarHBondContact O-N 3.33Å; R2035-C2087 HydrophobicContact CG-CB 4.33Å; R2035-C2087 WeakPolarHBondContact CG-O 3.43Å; R2035-C2087 PolarHBondContact NE-O 3.38Å; R2035-S2119 PolarHBondContact NH2-OG 3.05Å; R2035-E2120 IonicContact CZ-OE1 3.39Å; R2035-E2120 IonicContact NH1-OE1 3.27Å; R2035-E2120 PolarHBondContact NH1-OE1 3.17Å; R2035-E2120 IonicContact NH2-OE1 2.94Å; R2035-E2120 PolarHBondContact NH2-OE1 3.32Å |
| 2036 | G | 92.5 | Very high | 91.2 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 8% | 0.082 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.8 | 163.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | A2024 | A2024-G2036 PolarHBondContact N-O 3.08Å; A2024-G2036 PolarHBondContact O-N 2.83Å |
| 2037 | V | 94 | Very high | 90.6 | Very high | 50 Ų | 50 | 50.9 Ų | 50.9 | 30% | 0.303 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 135.1 | 170.4 | -173 | 0 | 0 | 0 | 0 | 106.9 | R2023 R2080 D2081 | R2023-V2037 HydrophobicContact CB-CG2 4.47Å; R2023-V2037 HydrophobicContact CG-CG1 4.15Å; R2023-V2037 HydrophobicContact CG-CG2 3.92Å; V2037-R2080 CarbonylContact O-C 3.51Å; V2037-R2080 WeakPolarHBondContact O-CA 3.37Å; V2037-D2081 VanDerWaalsContact C-OD2 3.27Å; V2037-D2081 PolarHBondContact O-N 2.68Å |
| 2038 | G | 95 | Very high | 89.8 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164 | -164.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R2021 C2022 M2078 D2081 | R2021-G2038 CarbonylContact C-O 3.47Å; R2021-G2038 WeakPolarHBondContact CA-O 3.17Å; R2021-G2038 WeakPolarHBondContact CG-O 3.35Å; C2022-G2038 PolarHBondContact N-O 3.44Å; C2022-G2038 PolarHBondContact O-N 2.67Å; G2038-M2078 VanDerWaalsContact N-CE 3.26Å; G2038-D2081 WeakPolarHBondContact CA-OD2 3.41Å; G2038-D2081 PolarHBondContact N-OD2 3.39Å |
| 2039 | E | 95.2 | Very high | 89.3 | Confident | 62 Ų | 62 | 53.1 Ų | 53.1 | 29% | 0.29 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 128 | 176.2 | -70.9 | 170.4 | -141.8 | 0 | 0 | 110.6 | L2019 R2020 R2021 R2059 M2078 | L2019-E2039 HydrophobicContact CD1-CB 4.06Å; L2019-E2039 WeakPolarHBondContact CD1-OE2 3.47Å; R2020-E2039 WeakPolarHBondContact O-CA 3.38Å; R2021-E2039 HydrophobicContact CB-CG 4.18Å; E2039-R2059 IonicContact OE1-NH2 2.69Å; E2039-R2059 PolarHBondContact OE1-NH2 2.72Å; E2039-R2059 IonicContact OE2-CZ 3.21Å; E2039-R2059 IonicContact OE2-NH2 3.22Å; E2039-R2059 PolarHBondContact OE2-NH2 3.14Å; E2039-M2078 WeakPolarHBondContact O-CG 3.26Å |
| 2040 | V | 95.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 130 | 172.2 | 65.5 | 0 | 0 | 0 | 0 | 109.1 | F2018 R2020 C2022 I2076 M2078 L2088 F2132 F2141 | F2018-V2040 HydrophobicContact CE1-CG1 3.98Å; R2020-V2040 PolarHBondContact N-O 2.88Å; R2020-V2040 PolarHBondContact O-N 2.91Å; C2022-V2040 HydrophobicContact CB-CG1 4.38Å; C2022-V2040 VanDerWaalsContact SG-CG1 3.55Å; V2040-I2076 HydrophobicContact CG2-CG2 3.72Å; V2040-M2078 HydrophobicContact CB-CB 4.2Å; V2040-M2078 HydrophobicContact CB-CG 4.13Å; V2040-M2078 HydrophobicContact CB-SD 4.35Å; V2040-M2078 HydrophobicContact CG2-CB 4.23Å; V2040-L2088 HydrophobicContact CG2-CD1 4.49Å; V2040-F2132 HydrophobicContact CG1-CE1 3.79Å; V2040-F2132 HydrophobicContact CG1-CZ 3.78Å; V2040-F2141 HydrophobicContact CG1-CE2 4.45Å; V2040-F2141 HydrophobicContact CG2-CE2 4.18Å |
| 2041 | K | 96.2 | Very high | 87.8 | Confident | 24 Ų | 24 | 50.7 Ų | 50.7 | 10% | 0.104 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 142.7 | 175.9 | -65.5 | -169.3 | -179.9 | -174.7 | 0 | 110.4 | E2011 F2018 L2019 L2043 P2058 I2076 L2077 | E2011-K2041 WeakPolarHBondContact OE2-CE 3.15Å; E2011-K2041 IonicContact OE2-NZ 3.6Å; E2011-K2041 PolarHBondContact OE2-NZ 3.2Å; F2018-K2041 VanDerWaalsContact O-CA 3.3Å; F2018-K2041 WeakPolarHBondContact O-CA 3.04Å; L2019-K2041 HydrophobicContact CD1-CD 4.26Å; L2019-K2041 HydrophobicContact CD1-CG 3.54Å; K2041-L2043 HydrophobicContact CB-CD1 4.39Å; K2041-L2043 HydrophobicContact CB-CD2 4.14Å; K2041-L2043 HydrophobicContact CB-CG 3.93Å; K2041-L2043 HydrophobicContact CD-CD1 4.26Å; K2041-L2043 HydrophobicContact CD-CD2 3.92Å; K2041-L2043 HydrophobicContact CD-CG 4.3Å; K2041-P2058 PolarHBondContact NZ-O 3.4Å; K2041-I2076 WeakPolarHBondContact O-CA 3.39Å; K2041-L2077 PolarHBondContact N-O 3.3Å; K2041-L2077 PolarHBondContact O-N 3.16Å |
| 2042 | V | 96.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 121 | 155.1 | -175.7 | 0 | 0 | 0 | 0 | 107.2 | I2017 F2018 I2076 I2092 F2141 A2144 V2145 A2148 | I2017-V2042 HydrophobicContact CD1-CB 4.45Å; I2017-V2042 HydrophobicContact CD1-CG1 3.76Å; I2017-V2042 HydrophobicContact CG1-CB 3.85Å; I2017-V2042 HydrophobicContact CG1-CG1 3.65Å; I2017-V2042 PolarHBondContact N-O 2.72Å; F2018-V2042 HydrophobicContact CB-CB 3.99Å; F2018-V2042 HydrophobicContact CB-CG2 3.94Å; F2018-V2042 HydrophobicContact CD1-CG2 4.34Å; F2018-V2042 HydrophobicContact CG-CG2 4.45Å; F2018-V2042 PolarHBondContact O-N 3.33Å; F2018-V2042 VanDerWaalsContact O-N 3.09Å; V2042-I2076 HydrophobicContact CG2-CG1 4.23Å; V2042-I2092 HydrophobicContact CG1-CD1 3.76Å; V2042-F2141 HydrophobicContact CG2-CD2 3.96Å; V2042-F2141 HydrophobicContact CG2-CE2 3.71Å; V2042-A2144 HydrophobicContact CG2-CB 4.37Å; V2042-V2145 HydrophobicContact CG2-CG2 4.04Å; V2042-A2148 HydrophobicContact CG1-CB 4.39Å |
| 2043 | L | 95.4 | Very high | 86 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 139.5 | -173.6 | -65.8 | 177.4 | 0 | 0 | 0 | 110.2 | E2011 E2014 L2015 C2016 K2041 A2074 R2075 L2077 | E2011-L2043 HydrophobicContact CB-CD1 4.42Å; E2011-L2043 HydrophobicContact CG-CD1 4.08Å; E2014-L2043 HydrophobicContact CB-CB 4.13Å; E2014-L2043 WeakPolarHBondContact OE2-CB 3.49Å; E2014-L2043 VanDerWaalsContact OE2-CD1 3.22Å; E2014-L2043 WeakPolarHBondContact OE2-CD1 3.35Å; L2015-L2043 WeakPolarHBondContact O-CA 3.19Å; C2016-L2043 HydrophobicContact CB-CD2 3.99Å; K2041-L2043 HydrophobicContact CB-CD1 4.39Å; K2041-L2043 HydrophobicContact CB-CD2 4.14Å; K2041-L2043 HydrophobicContact CB-CG 3.93Å; K2041-L2043 HydrophobicContact CD-CD1 4.26Å; K2041-L2043 HydrophobicContact CD-CD2 3.92Å; K2041-L2043 HydrophobicContact CD-CG 4.3Å; L2043-A2074 CarbonylContact O-C 3.22Å; L2043-A2074 VanDerWaalsContact O-CA 3.24Å; L2043-A2074 WeakPolarHBondContact O-CA 3.34Å; L2043-R2075 HydrophobicContact CB-CG 4.08Å; L2043-R2075 PolarHBondContact N-O 2.86Å; L2043-R2075 PolarHBondContact O-N 3.09Å; L2043-L2077 HydrophobicContact CD1-CB 4.14Å; L2043-L2077 HydrophobicContact CD1-CD1 4.38Å |
| 2044 | V | 93.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 137.1 | 177 | -58 | 0 | 0 | 0 | 0 | 110.9 | E2014 L2015 I2017 L2068 I2071 A2074 A2148 | E2014-V2044 CarbonylContact C-O 3.55Å; E2014-V2044 WeakPolarHBondContact CA-O 3.27Å; L2015-V2044 HydrophobicContact CB-CG2 3.99Å; L2015-V2044 PolarHBondContact N-O 3.44Å; L2015-V2044 PolarHBondContact O-N 2.82Å; I2017-V2044 HydrophobicContact CD1-CG1 3.88Å; I2017-V2044 HydrophobicContact CG1-CG1 4.31Å; I2017-V2044 HydrophobicContact CG2-CG1 4.39Å; I2017-V2044 HydrophobicContact CG2-CG2 3.89Å; V2044-L2068 HydrophobicContact CG2-CD1 4.39Å; V2044-L2068 HydrophobicContact CG2-CD2 4.2Å; V2044-I2071 HydrophobicContact CB-CD1 3.88Å; V2044-I2071 HydrophobicContact CB-CG2 3.97Å; V2044-I2071 HydrophobicContact CG1-CD1 4.03Å; V2044-I2071 HydrophobicContact CG2-CD1 4.18Å; V2044-A2074 HydrophobicContact CG1-CB 3.84Å; V2044-A2148 HydrophobicContact CG1-CB 4.12Å |
| 2045 | Q | 90.7 | Very high | 83.9 | Confident | 17 Ų | 17 | 51.8 Ų | 51.8 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 107.8 | 176.5 | -175.2 | 165.6 | 24.9 | 0 | 0 | 109.8 | E2013 E2014 I2071 K2072 R2073 | E2013-Q2045 PolarHBondContact OE2-NE2 3.35Å; E2014-Q2045 HydrophobicContact CG-CB 4.22Å; Q2045-I2071 WeakPolarHBondContact O-CG2 3.47Å; Q2045-K2072 WeakPolarHBondContact O-CA 3.31Å; Q2045-K2072 WeakPolarHBondContact O-CB 3.16Å; Q2045-K2072 PolarHBondContact O-N 3.05Å; Q2045-R2073 HydrophobicContact CB-CG 3.99Å; Q2045-R2073 PolarHBondContact N-O 2.94Å; Q2045-R2073 VanDerWaalsContact OE1-CZ 3.26Å |
| 2046 | P | 84.7 | Confident | 83.1 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 10% | 0.104 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 150.9 | 171.1 | -25.7 | 36.2 | 0 | 0 | 0 | 112.5 | L2015 T2048 M2049 | L2015-P2046 HydrophobicContact CD1-CG 3.87Å; L2015-P2046 HydrophobicContact CG-CG 4.43Å; P2046-T2048 VanDerWaalsContact C-N 3.27Å; P2046-T2048 VanDerWaalsContact CB-O 3.24Å; P2046-T2048 WeakPolarHBondContact CB-O 3.15Å; P2046-M2049 HydrophobicContact CB-SD 4.46Å; P2046-M2049 HydrophobicContact CG-SD 3.88Å |
| 2047 | R | 80.6 | Confident | 82 | Confident | 126 Ų | 126 | 53.3 Ų | 53.3 | 48% | 0.475 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -66.9 | -32.5 | 170.1 | -68.4 | -162.1 | -173.3 | 130.8 | 0.6 | 111.7 | D2070 K2072 S2155 | R2047-D2070 WeakPolarHBondContact CD-OD1 3.48Å; R2047-D2070 WeakPolarHBondContact CG-OD1 3.38Å; R2047-D2070 IonicContact CZ-OD1 3.98Å; R2047-D2070 PolarHBondContact N-O 3.41Å; R2047-D2070 IonicContact NE-OD1 2.69Å; R2047-D2070 PolarHBondContact NE-OD1 3.08Å; R2047-D2070 IonicContact NH1-OD1 2.99Å; R2047-D2070 PolarHBondContact NH1-OD1 2.89Å; R2047-K2072 HydrophobicContact CG-CB 3.95Å; R2047-S2155 PolarHBondContact NH1-O 3.36Å; R2047-S2155 VanDerWaalsContact NH2-C 3.29Å; R2047-S2155 PolarHBondContact NH2-O 3.37Å |
| 2048 | T | 75 | Confident | 80.8 | Confident | 111 Ų | 111 | 54.5 Ų | 54.5 | 68% | 0.681 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -134.2 | 126.3 | 170.6 | -55.5 | 0 | 0 | 0 | 0 | 107.3 | P2046 P2050 | P2046-T2048 VanDerWaalsContact C-N 3.27Å; P2046-T2048 VanDerWaalsContact CB-O 3.24Å; P2046-T2048 WeakPolarHBondContact CB-O 3.15Å; T2048-P2050 VanDerWaalsContact O-CD 3.28Å; T2048-P2050 WeakPolarHBondContact O-CD 3.48Å |
| 2049 | M | 76 | Confident | 80 | Confident | 87 Ų | 87 | 59.9 Ų | 59.9 | 43% | 0.429 | 31% | 0.314 | S | S | . | . | trans | -66.7 | 121.5 | 177.5 | -78.2 | -70.4 | -80.2 | 0 | 0 | 109.7 | L2015 P2046 A2053 | L2015-M2049 HydrophobicContact CD2-CE 4.08Å; L2015-M2049 HydrophobicContact CG-CE 4.49Å; L2015-M2049 HydrophobicContact CG-SD 4.48Å; P2046-M2049 HydrophobicContact CB-SD 4.46Å; P2046-M2049 HydrophobicContact CG-SD 3.88Å; M2049-A2053 HydrophobicContact CE-CB 4.28Å | ||
| 2050 | P | 67.7 | Low | 79.4 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 31% | 0.305 | 31% | 0.313 | S | S | . | . | trans | -62.6 | 144.1 | 174.5 | -22.1 | 34.5 | 0 | 0 | 0 | 111.1 | T2048 D2052 A2053 Y2066 | T2048-P2050 VanDerWaalsContact O-CD 3.28Å; T2048-P2050 WeakPolarHBondContact O-CD 3.48Å; P2050-D2052 WeakPolarHBondContact CB-OD1 3.32Å; P2050-D2052 PolarHBondContact O-N 2.9Å; P2050-A2053 HydrophobicContact CB-CB 4.08Å; P2050-A2053 HydrophobicContact CG-CB 4.28Å; P2050-A2053 WeakPolarHBondContact O-CB 2.99Å; P2050-A2053 PolarHBondContact O-N 3.44Å; P2050-Y2066 VanDerWaalsContact CB-OH 3.31Å; P2050-Y2066 WeakPolarHBondContact CB-OH 3.36Å; P2050-Y2066 WeakPolarHBondContact CG-OH 3.02Å | ||
| 2051 | T | 68.7 | Low | 79 | Confident | 139 Ų | 139 | 62.7 Ų | 62.7 | 85% | 0.853 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -61.5 | -33.5 | -175.8 | -37.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 2052 | D | 69.6 | Low | 78.6 | Confident | 80 Ų | 80 | 61.6 Ų | 61.6 | 43% | 0.428 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -76 | -18.7 | 174.9 | 54 | -36.1 | 0 | 0 | 0 | 113.5 | P2050 A2054 R2055 Y2066 | P2050-D2052 WeakPolarHBondContact CB-OD1 3.32Å; P2050-D2052 PolarHBondContact O-N 2.9Å; D2052-A2054 PolarHBondContact O-N 3.34Å; D2052-R2055 WeakPolarHBondContact O-CB 2.93Å; D2052-R2055 WeakPolarHBondContact O-CG 3.33Å; D2052-R2055 PolarHBondContact O-N 3.34Å; D2052-R2055 VanDerWaalsContact O-N 3.14Å; D2052-Y2066 WeakPolarHBondContact OD2-CE2 3.38Å |
| 2053 | A | 65.3 | Low | 78.1 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.008 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -67.2 | -21.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L2015 M2049 P2050 R2055 F2056 | L2015-A2053 HydrophobicContact CD1-CB 4.1Å; L2015-A2053 HydrophobicContact CD2-CB 4.14Å; M2049-A2053 HydrophobicContact CE-CB 4.28Å; P2050-A2053 HydrophobicContact CB-CB 4.08Å; P2050-A2053 HydrophobicContact CG-CB 4.28Å; P2050-A2053 WeakPolarHBondContact O-CB 2.99Å; P2050-A2053 PolarHBondContact O-N 3.44Å; A2053-R2055 PolarHBondContact O-N 3.16Å; A2053-R2055 VanDerWaalsContact O-N 3.13Å; A2053-F2056 PolarHBondContact O-N 2.86Å; A2053-F2056 VanDerWaalsContact O-N 3.11Å |
| 2054 | A | 64.8 | Low | 77.4 | Confident | 84 Ų | 84 | 71.3 Ų | 71.3 | 69% | 0.694 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -61.4 | -15.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D2052 F2056 | D2052-A2054 PolarHBondContact O-N 3.34Å; A2054-F2056 VanDerWaalsContact C-N 3.31Å |
| 2055 | R | 73.7 | Confident | 76.7 | Confident | 195 Ų | 195 | 79.8 Ų | 79.8 | 74% | 0.736 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -77.5 | -12.6 | 175.2 | -63.8 | 178.7 | 169.6 | -174.8 | -5.3 | 114 | D2052 A2053 | D2052-R2055 WeakPolarHBondContact O-CB 2.93Å; D2052-R2055 WeakPolarHBondContact O-CG 3.33Å; D2052-R2055 PolarHBondContact O-N 3.34Å; D2052-R2055 VanDerWaalsContact O-N 3.14Å; A2053-R2055 PolarHBondContact O-N 3.16Å; A2053-R2055 VanDerWaalsContact O-N 3.13Å |
| 2056 | F | 74.5 | Confident | 76.3 | Confident | 55 Ų | 55 | 80.8 Ų | 80.8 | 24% | 0.241 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -102 | 114.9 | 178.6 | -54.6 | -68.8 | 0 | 0 | 0 | 109.8 | A2053 A2054 D2060 V2062 P2063 Y2066 | A2053-F2056 PolarHBondContact O-N 2.86Å; A2053-F2056 VanDerWaalsContact O-N 3.11Å; A2054-F2056 VanDerWaalsContact C-N 3.31Å; F2056-D2060 HydrophobicContact CB-CB 4.28Å; F2056-V2062 HydrophobicContact CB-CG2 4.36Å; F2056-V2062 HydrophobicContact CD2-CG2 4.05Å; F2056-V2062 HydrophobicContact CG-CG2 4.07Å; F2056-P2063 HydrophobicContact CE1-CG 4.33Å; F2056-Y2066 AromaticContact CE2-CD2 4Å; F2056-Y2066 HydrophobicContact CE2-CD2 4Å; F2056-Y2066 AromaticContact CE2-CE2 3.78Å; F2056-Y2066 HydrophobicContact CE2-CE2 3.78Å; F2056-Y2066 HydrophobicContact CZ-CD2 4.18Å; F2056-Y2066 HydrophobicContact CZ-CE2 4.36Å |
| 2057 | G | 70.6 | Confident | 75.9 | Confident | 24 Ų | 24 | 88.5 Ų | 88.5 | 25% | 0.247 | 46% | 0.455 | C | S | . | . | trans | -66.8 | 165.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R2059 D2060 | G2057-R2059 PolarHBondContact O-N 2.67Å; G2057-D2060 WeakPolarHBondContact CA-OD2 3.29Å; G2057-D2060 PolarHBondContact N-OD2 3.16Å; G2057-D2060 PolarHBondContact O-N 3.17Å | ||
| 2058 | P | 68.7 | Low | 75.8 | Confident | 74 Ų | 74 | 83.6 Ų | 83.6 | 48% | 0.481 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 7.1 | -174.7 | 27.3 | -36.2 | 0 | 0 | 0 | 115.6 | K2041 | K2041-P2058 PolarHBondContact NZ-O 3.4Š|
| 2059 | R | 77 | Confident | 75.5 | Confident | 115 Ų | 115 | 83.4 Ų | 83.4 | 43% | 0.434 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | -8.2 | 172.5 | -58.5 | -171.6 | 78.5 | 155.4 | -0.8 | 113.5 | L2019 E2039 G2057 | L2019-R2059 HydrophobicContact CD2-CB 4.2Å; E2039-R2059 IonicContact OE1-NH2 2.69Å; E2039-R2059 PolarHBondContact OE1-NH2 2.72Å; E2039-R2059 IonicContact OE2-CZ 3.21Å; E2039-R2059 IonicContact OE2-NH2 3.22Å; E2039-R2059 PolarHBondContact OE2-NH2 3.14Å; G2057-R2059 PolarHBondContact O-N 2.67Å |
| 2060 | D | 83.5 | Confident | 75.6 | Confident | 52 Ų | 52 | 82.3 Ų | 82.3 | 28% | 0.278 | 43% | 0.433 | S | S | . | . | trans | -74 | 131.9 | 179 | -67.7 | -41.6 | 0 | 0 | 0 | 109.9 | F2056 G2057 V2062 | F2056-D2060 HydrophobicContact CB-CB 4.28Å; G2057-D2060 WeakPolarHBondContact CA-OD2 3.29Å; G2057-D2060 PolarHBondContact N-OD2 3.16Å; G2057-D2060 PolarHBondContact O-N 3.17Å; D2060-V2062 PolarHBondContact O-N 3.05Å | ||
| 2061 | I | 87.3 | Confident | 76.5 | Confident | 68 Ų | 68 | 80.2 Ų | 80.2 | 35% | 0.349 | 42% | 0.419 | S | S | . | . | trans | -82.4 | 113.3 | 179.2 | -59.6 | 176 | 0 | 0 | 0 | 107.9 | C2016 L2019 P2063 | C2016-I2061 WeakPolarHBondContact O-CA 2.73Å; L2019-I2061 HydrophobicContact CB-CD1 3.99Å; L2019-I2061 HydrophobicContact CB-CG1 4Å; I2061-P2063 WeakPolarHBondContact O-CD 3.2Å | ||
| 2062 | V | 88.4 | Confident | 77.4 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.006 | 39% | 0.393 | C | S | . | . | trans | -58.2 | 118.4 | 177.6 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | L2015 C2016 I2017 F2056 D2060 Y2066 R2147 | L2015-V2062 HydrophobicContact CB-CG2 4.04Å; L2015-V2062 HydrophobicContact CD1-CG2 4.49Å; L2015-V2062 HydrophobicContact CD2-CG2 4.45Å; C2016-V2062 PolarHBondContact O-N 3.27Å; I2017-V2062 HydrophobicContact CG2-CB 4.37Å; F2056-V2062 HydrophobicContact CB-CG2 4.36Å; F2056-V2062 HydrophobicContact CD2-CG2 4.05Å; F2056-V2062 HydrophobicContact CG-CG2 4.07Å; D2060-V2062 PolarHBondContact O-N 3.05Å; V2062-Y2066 HydrophobicContact CG1-CD1 3.47Å; V2062-Y2066 VanDerWaalsContact CG1-CD1 3.47Å; V2062-Y2066 HydrophobicContact CG1-CD2 4.48Å; V2062-Y2066 HydrophobicContact CG1-CE1 4.27Å; V2062-Y2066 HydrophobicContact CG1-CG 3.59Å; V2062-R2147 PolarHBondContact O-NH1 3.18Å | ||
| 2063 | P | 84.1 | Confident | 78.4 | Confident | 59 Ų | 59 | 78.1 Ų | 78.1 | 38% | 0.383 | 39% | 0.391 | S | S | . | . | trans | -52.6 | 152.4 | -175.2 | -29.2 | 35.6 | 0 | 0 | 0 | 113.6 | F2056 I2061 E2065 Y2066 R2147 | F2056-P2063 HydrophobicContact CE1-CG 4.33Å; I2061-P2063 WeakPolarHBondContact O-CD 3.2Å; P2063-E2065 PolarHBondContact O-N 2.92Å; P2063-Y2066 VanDerWaalsContact O-CB 3.31Å; P2063-Y2066 WeakPolarHBondContact O-CB 3.38Å; P2063-Y2066 PolarHBondContact O-N 3.4Å; P2063-Y2066 VanDerWaalsContact O-N 3.12Å; P2063-R2147 PolarHBondContact O-NH1 3.49Å; P2063-R2147 PolarHBondContact O-NH2 3.3Å | ||
| 2064 | L | 80.5 | Confident | 79.8 | Confident | 147 Ų | 147 | 78.2 Ų | 78.2 | 77% | 0.77 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -32.3 | -176.6 | -130.5 | 80.6 | 0 | 0 | 0 | 112.9 | Y2066 R2147 | L2064-Y2066 PolarHBondContact O-N 2.91Å; L2064-R2147 PolarHBondContact O-NH2 2.94Å |
| 2065 | E | 79.3 | Confident | 81.2 | Confident | 178 Ų | 178 | 75.8 Ų | 75.8 | 83% | 0.832 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -24.9 | 177.9 | -67.9 | 144.7 | -137.4 | 0 | 0 | 113.4 | P2063 K2067 | P2063-E2065 PolarHBondContact O-N 2.92Å; E2065-K2067 PolarHBondContact O-N 3.35Å |
| 2066 | Y | 81.3 | Confident | 82.3 | Confident | 37 Ų | 37 | 66.5 Ų | 66.5 | 15% | 0.145 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -69.9 | 117.3 | -179.4 | -168.2 | -88.9 | 0 | 0 | 0 | 110.6 | P2050 D2052 F2056 V2062 P2063 L2064 L2068 R2147 | P2050-Y2066 VanDerWaalsContact CB-OH 3.31Å; P2050-Y2066 WeakPolarHBondContact CB-OH 3.36Å; P2050-Y2066 WeakPolarHBondContact CG-OH 3.02Å; D2052-Y2066 WeakPolarHBondContact OD2-CE2 3.38Å; F2056-Y2066 AromaticContact CE2-CD2 4Å; F2056-Y2066 HydrophobicContact CE2-CD2 4Å; F2056-Y2066 AromaticContact CE2-CE2 3.78Å; F2056-Y2066 HydrophobicContact CE2-CE2 3.78Å; F2056-Y2066 HydrophobicContact CZ-CD2 4.18Å; F2056-Y2066 HydrophobicContact CZ-CE2 4.36Å; V2062-Y2066 HydrophobicContact CG1-CD1 3.47Å; V2062-Y2066 VanDerWaalsContact CG1-CD1 3.47Å; V2062-Y2066 HydrophobicContact CG1-CD2 4.48Å; V2062-Y2066 HydrophobicContact CG1-CE1 4.27Å; V2062-Y2066 HydrophobicContact CG1-CG 3.59Å; P2063-Y2066 VanDerWaalsContact O-CB 3.31Å; P2063-Y2066 WeakPolarHBondContact O-CB 3.38Å; P2063-Y2066 PolarHBondContact O-N 3.4Å; P2063-Y2066 VanDerWaalsContact O-N 3.12Å; L2064-Y2066 PolarHBondContact O-N 2.91Å; Y2066-L2068 HydrophobicContact CD1-CD2 3.94Å; Y2066-L2068 HydrophobicContact CD1-CG 4.36Å; Y2066-L2068 HydrophobicContact CE1-CD2 4.08Å; Y2066-L2068 PolarHBondContact O-N 3.25Å; Y2066-R2147 PolarHBondContact O-NH2 3.12Å |
| 2067 | K | 77.1 | Confident | 83.3 | Confident | 179 Ų | 179 | 64 Ų | 64 | 78% | 0.778 | 32% | 0.319 | S | S | * | . | trans | -76.6 | 111.5 | -178 | -74.9 | -172.8 | 177.7 | 179.8 | 0 | 111.2 | E2065 T2069 | E2065-K2067 PolarHBondContact O-N 3.35Å; K2067-T2069 PolarHBondContact O-N 3.4Å | ||
| 2068 | L | 79 | Confident | 84.4 | Confident | 22 Ų | 22 | 62.9 Ų | 62.9 | 12% | 0.115 | 31% | 0.308 | C | S | . | . | trans | -89 | 73.4 | 173.4 | -62.3 | 166.3 | 0 | 0 | 0 | 110.2 | L2015 I2017 V2044 Y2066 I2071 R2147 A2151 | L2015-L2068 HydrophobicContact CD1-CD2 4.46Å; I2017-L2068 HydrophobicContact CG2-CD1 3.75Å; V2044-L2068 HydrophobicContact CG2-CD1 4.39Å; V2044-L2068 HydrophobicContact CG2-CD2 4.2Å; Y2066-L2068 HydrophobicContact CD1-CD2 3.94Å; Y2066-L2068 HydrophobicContact CD1-CG 4.36Å; Y2066-L2068 HydrophobicContact CE1-CD2 4.08Å; Y2066-L2068 PolarHBondContact O-N 3.25Å; L2068-I2071 HydrophobicContact CB-CD1 3.91Å; L2068-I2071 HydrophobicContact CB-CG1 4.41Å; L2068-R2147 HydrophobicContact CD1-CG 4.41Å; L2068-A2151 HydrophobicContact CB-CB 4.29Å; L2068-A2151 WeakPolarHBondContact O-CB 3.47Å | ||
| 2069 | T | 68.2 | Low | 85.6 | Confident | 107 Ų | 107 | 63 Ų | 63 | 66% | 0.656 | 30% | 0.298 | S | S | * | . | trans | -92.5 | 135.5 | 171.3 | 49.5 | 0 | 0 | 0 | 0 | 110 | K2067 | K2067-T2069 PolarHBondContact O-N 3.4Š| ||
| 2070 | D | 78.6 | Confident | 86.4 | Confident | 65 Ų | 65 | 61.9 Ų | 61.9 | 35% | 0.348 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 72.4 | 65 | 178 | -160.2 | 25.1 | 0 | 0 | 0 | 116.5 | R2047 | R2047-D2070 WeakPolarHBondContact CD-OD1 3.48Å; R2047-D2070 WeakPolarHBondContact CG-OD1 3.38Å; R2047-D2070 IonicContact CZ-OD1 3.98Å; R2047-D2070 PolarHBondContact N-O 3.41Å; R2047-D2070 IonicContact NE-OD1 2.69Å; R2047-D2070 PolarHBondContact NE-OD1 3.08Å; R2047-D2070 IonicContact NH1-OD1 2.99Å; R2047-D2070 PolarHBondContact NH1-OD1 2.89Å |
| 2071 | I | 86 | Confident | 86.6 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.015 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 136.3 | 175.6 | -48.3 | -170.6 | 0 | 0 | 0 | 111.1 | V2044 Q2045 L2068 R2073 A2151 L2152 S2155 | V2044-I2071 HydrophobicContact CB-CD1 3.88Å; V2044-I2071 HydrophobicContact CB-CG2 3.97Å; V2044-I2071 HydrophobicContact CG1-CD1 4.03Å; V2044-I2071 HydrophobicContact CG2-CD1 4.18Å; Q2045-I2071 WeakPolarHBondContact O-CG2 3.47Å; L2068-I2071 HydrophobicContact CB-CD1 3.91Å; L2068-I2071 HydrophobicContact CB-CG1 4.41Å; I2071-R2073 VanDerWaalsContact CG2-O 3.27Å; I2071-R2073 WeakPolarHBondContact CG2-O 3.38Å; I2071-A2151 HydrophobicContact CD1-CB 3.33Å; I2071-A2151 HydrophobicContact CG1-CB 3.94Å; I2071-L2152 HydrophobicContact CB-CD2 4.49Å; I2071-L2152 HydrophobicContact CG2-CD2 4.45Å; I2071-S2155 PolarHBondContact O-OG 3.23Å |
| 2072 | K | 87.8 | Confident | 86.5 | Confident | 71 Ų | 71 | 67.2 Ų | 67.2 | 31% | 0.309 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | -43.1 | 174.1 | -172.4 | 167.2 | -174.5 | 155 | 0 | 113.2 | D1144 Q2045 R2047 | D1144-K2072 VanDerWaalsContact CB-NZ 3.31Å; D1144-K2072 IonicContact OD2-NZ 3.12Å; D1144-K2072 PolarHBondContact OD2-NZ 3.04Å; Q2045-K2072 WeakPolarHBondContact O-CA 3.31Å; Q2045-K2072 WeakPolarHBondContact O-CB 3.16Å; Q2045-K2072 PolarHBondContact O-N 3.05Å; R2047-K2072 HydrophobicContact CG-CB 3.95Å |
| 2073 | R | 91.4 | Very high | 86.3 | Confident | 103 Ų | 103 | 71 Ų | 71 | 39% | 0.389 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 159.2 | 179.7 | 59.1 | 178.2 | 178.6 | 123.7 | 17.3 | 111.4 | E2014 Q2045 I2071 | E2014-R2073 IonicContact OE1-CZ 2.68Å; E2014-R2073 VanDerWaalsContact OE1-CZ 3.22Å; E2014-R2073 IonicContact OE1-NH1 3.5Å; E2014-R2073 IonicContact OE1-NH2 3.4Å; E2014-R2073 PolarHBondContact OE1-NH2 2.74Å; Q2045-R2073 HydrophobicContact CB-CG 3.99Å; Q2045-R2073 PolarHBondContact N-O 2.94Å; Q2045-R2073 VanDerWaalsContact OE1-CZ 3.26Å; I2071-R2073 VanDerWaalsContact CG2-O 3.27Å; I2071-R2073 WeakPolarHBondContact CG2-O 3.38Å |
| 2074 | A | 93.3 | Very high | 86.2 | Confident | 4 Ų | 4 | 73.8 Ų | 73.8 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 156.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L2043 V2044 P2091 I2092 A2148 L2152 | L2043-A2074 CarbonylContact O-C 3.22Å; L2043-A2074 VanDerWaalsContact O-CA 3.24Å; L2043-A2074 WeakPolarHBondContact O-CA 3.34Å; V2044-A2074 HydrophobicContact CG1-CB 3.84Å; A2074-P2091 WeakPolarHBondContact O-CA 3.37Å; A2074-I2092 HydrophobicContact CB-CB 4.06Å; A2074-I2092 HydrophobicContact CB-CD1 4.29Å; A2074-I2092 PolarHBondContact O-N 2.84Å; A2074-A2148 HydrophobicContact CB-CB 3.91Å; A2074-L2152 HydrophobicContact CB-CD1 3.91Å; A2074-L2152 HydrophobicContact CB-CG 4.49Å |
| 2075 | R | 95 | Very high | 86.7 | Confident | 32 Ų | 32 | 73 Ų | 73 | 12% | 0.121 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 159 | 178.5 | 64.3 | 172.4 | 175.2 | 168.2 | -5.6 | 113.6 | G2010 E2014 L2043 N2089 H2090 | G2010-R2075 PolarHBondContact O-NH2 2.91Å; E2014-R2075 VanDerWaalsContact CD-NH2 3.25Å; E2014-R2075 IonicContact OE1-CZ 2.56Å; E2014-R2075 IonicContact OE1-NE 3.94Å; E2014-R2075 PolarHBondContact OE1-NE 3.4Å; E2014-R2075 IonicContact OE1-NH2 2.72Å; E2014-R2075 PolarHBondContact OE1-NH2 3.29Å; E2014-R2075 IonicContact OE2-CZ 3.02Å; E2014-R2075 IonicContact OE2-NE 2.63Å; E2014-R2075 PolarHBondContact OE2-NE 3.24Å; E2014-R2075 IonicContact OE2-NH2 2.69Å; E2014-R2075 PolarHBondContact OE2-NH2 2.88Å; L2043-R2075 HydrophobicContact CB-CG 4.08Å; L2043-R2075 PolarHBondContact N-O 2.86Å; L2043-R2075 PolarHBondContact O-N 3.09Å; R2075-N2089 PolarHBondContact NH1-OD1 2.83Å; R2075-N2089 VanDerWaalsContact NH1-OD1 3.17Å; R2075-H2090 CarbonylContact C-O 3.53Å; R2075-H2090 VanDerWaalsContact CA-O 3.29Å; R2075-H2090 WeakPolarHBondContact CA-O 3.49Å; R2075-H2090 VanDerWaalsContact CB-O 3.26Å; R2075-H2090 WeakPolarHBondContact CB-O 3.49Å |
| 2076 | I | 95.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129.7 | 165.8 | -73.3 | 154.8 | 0 | 0 | 0 | 108.5 | V2040 K2041 V2042 L2088 N2089 H2090 I2092 P2097 F2141 V2145 | V2040-I2076 HydrophobicContact CG2-CG2 3.72Å; K2041-I2076 WeakPolarHBondContact O-CA 3.39Å; V2042-I2076 HydrophobicContact CG2-CG1 4.23Å; I2076-L2088 HydrophobicContact CG2-CD1 4.44Å; I2076-N2089 WeakPolarHBondContact O-CA 3.47Å; I2076-H2090 VanDerWaalsContact CD1-CE1 3.43Å; I2076-H2090 WeakPolarHBondContact CD1-CE1 3.39Å; I2076-H2090 PolarHBondContact N-O 2.93Å; I2076-H2090 PolarHBondContact O-N 3.42Å; I2076-I2092 HydrophobicContact CD1-CD1 4.25Å; I2076-I2092 HydrophobicContact CD1-CG1 4.17Å; I2076-I2092 HydrophobicContact CG1-CD1 4.07Å; I2076-I2092 HydrophobicContact CG1-CG1 4.25Å; I2076-P2097 HydrophobicContact CD1-CG 3.93Å; I2076-F2141 HydrophobicContact CD1-CE2 4.4Å; I2076-F2141 HydrophobicContact CD1-CZ 3.88Å; I2076-F2141 HydrophobicContact CG1-CE2 4.33Å; I2076-F2141 HydrophobicContact CG1-CZ 4.25Å; I2076-V2145 HydrophobicContact CD1-CG2 3.99Å |
| 2077 | L | 95.7 | Very high | 87.8 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 134.7 | -178.5 | -177.2 | 145.2 | 0 | 0 | 0 | 110.6 | E2011 K2041 L2043 R2079 L2086 L2088 | E2011-L2077 HydrophobicContact CG-CD1 4.22Å; E2011-L2077 WeakPolarHBondContact OE1-CD2 3.31Å; K2041-L2077 PolarHBondContact N-O 3.3Å; K2041-L2077 PolarHBondContact O-N 3.16Å; L2043-L2077 HydrophobicContact CD1-CB 4.14Å; L2043-L2077 HydrophobicContact CD1-CD1 4.38Å; L2077-R2079 HydrophobicContact CD2-CG 4.29Å; L2077-L2086 HydrophobicContact CD1-CD2 3.98Å; L2077-L2086 HydrophobicContact CD2-CD2 4.17Å; L2077-L2086 HydrophobicContact CG-CD2 3.84Å; L2077-L2088 WeakPolarHBondContact CA-O 3.14Å |
| 2078 | M | 95.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 127.9 | 177.3 | -170.7 | -173 | 175.8 | 0 | 0 | 110.9 | C2022 A2024 G2038 E2039 V2040 C2087 L2088 | C2022-M2078 WeakPolarHBondContact O-CE 2.88Å; A2024-M2078 HydrophobicContact CB-CE 4.13Å; A2024-M2078 HydrophobicContact CB-SD 3.53Å; A2024-M2078 VanDerWaalsContact CB-SD 3.53Å; G2038-M2078 VanDerWaalsContact N-CE 3.26Å; E2039-M2078 WeakPolarHBondContact O-CG 3.26Å; V2040-M2078 HydrophobicContact CB-CB 4.2Å; V2040-M2078 HydrophobicContact CB-CG 4.13Å; V2040-M2078 HydrophobicContact CB-SD 4.35Å; V2040-M2078 HydrophobicContact CG2-CB 4.23Å; M2078-C2087 PolarHBondContact O-N 3.44Å; M2078-C2087 PolarHBondContact O-SG 3.17Å; M2078-L2088 HydrophobicContact CB-CB 3.78Å; M2078-L2088 HydrophobicContact CB-CD1 3.98Å; M2078-L2088 HydrophobicContact CB-CG 4.02Å; M2078-L2088 PolarHBondContact N-O 2.73Å; M2078-L2088 PolarHBondContact O-N 3.37Å; M2078-L2088 HydrophobicContact SD-CD1 3.88Å; M2078-L2088 HydrophobicContact SD-CG 4.3Å |
| 2079 | R | 94.2 | Very high | 89.3 | Confident | 75 Ų | 75 | 57.2 Ų | 57.2 | 28% | 0.283 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 146.1 | 173.7 | -65.6 | 174.4 | -172.7 | -91.1 | 3.6 | 109.8 | T2009 E2011 L2077 L2084 K2085 L2086 | T2009-R2079 PolarHBondContact O-NH2 2.61Å; E2011-R2079 IonicContact OE1-CZ 3.55Å; E2011-R2079 VanDerWaalsContact OE1-CZ 3.23Å; E2011-R2079 IonicContact OE1-NE 3.51Å; E2011-R2079 PolarHBondContact OE1-NE 3.43Å; E2011-R2079 IonicContact OE1-NH2 2.97Å; E2011-R2079 PolarHBondContact OE1-NH2 3.48Å; L2077-R2079 HydrophobicContact CD2-CG 4.29Å; R2079-L2084 WeakPolarHBondContact CG-O 3.19Å; R2079-L2084 PolarHBondContact NH1-O 3.42Å; R2079-K2085 WeakPolarHBondContact CA-O 3.34Å; R2079-L2086 HydrophobicContact CG-CD2 3.85Å |
| 2080 | R | 93.1 | Very high | 90.4 | Very high | 93 Ų | 93 | 52.2 Ų | 52.2 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 138.7 | 175.6 | -73.4 | -175.9 | -77.3 | 158.9 | -12.6 | 111.6 | V2037 L2084 K2085 C2087 | V2037-R2080 CarbonylContact O-C 3.51Å; V2037-R2080 WeakPolarHBondContact O-CA 3.37Å; R2080-L2084 WeakPolarHBondContact O-CA 3.46Å; R2080-L2084 PolarHBondContact O-N 2.86Å; R2080-K2085 PolarHBondContact N-O 2.81Å; R2080-C2087 HydrophobicContact CG-CB 3.89Å |
| 2081 | D | 88.1 | Confident | 91 | Very high | 44 Ų | 44 | 52.3 Ų | 52.3 | 24% | 0.235 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | 146.2 | 166.4 | -69.1 | -62.9 | 0 | 0 | 0 | 111.1 | R2021 V2037 G2038 V2083 | R2021-D2081 IonicContact CZ-OD1 2.77Å; R2021-D2081 VanDerWaalsContact CZ-OD1 3.22Å; R2021-D2081 IonicContact CZ-OD2 3.49Å; R2021-D2081 IonicContact NE-OD2 2.64Å; R2021-D2081 IonicContact NH1-OD1 3.84Å; R2021-D2081 PolarHBondContact NH1-OD1 3.36Å; R2021-D2081 IonicContact NH1-OD2 3.53Å; R2021-D2081 IonicContact NH2-OD1 2.59Å; R2021-D2081 PolarHBondContact NH2-OD1 3.12Å; R2021-D2081 VanDerWaalsContact NH2-OD1 3.09Å; R2021-D2081 IonicContact NH2-OD2 2.73Å; R2021-D2081 PolarHBondContact NH2-OD2 3.43Å; V2037-D2081 VanDerWaalsContact C-OD2 3.27Å; V2037-D2081 PolarHBondContact O-N 2.68Å; G2038-D2081 WeakPolarHBondContact CA-OD2 3.41Å; G2038-D2081 PolarHBondContact N-OD2 3.39Å; D2081-V2083 PolarHBondContact O-N 2.68Å |
| 2082 | Q | 84 | Confident | 91.4 | Very high | 187 Ų | 187 | 52.6 Ų | 52.6 | 87% | 0.874 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | -44.8 | -178.4 | -48.6 | -58.4 | -35.6 | 0 | 0 | 115.5 | ||
| 2083 | V | 84.1 | Confident | 91.3 | Very high | 80 Ų | 80 | 51.4 Ų | 51.4 | 49% | 0.485 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -19 | -171.7 | -164.3 | 0 | 0 | 0 | 0 | 112.6 | D2081 K2085 | D2081-V2083 PolarHBondContact O-N 2.68Å; V2083-K2085 HydrophobicContact CG1-CB 4.4Å; V2083-K2085 HydrophobicContact CG1-CD 3.87Å; V2083-K2085 HydrophobicContact CG1-CG 3.99Å; V2083-K2085 PolarHBondContact O-N 3.25Å |
| 2084 | L | 83.6 | Confident | 90.8 | Very high | 118 Ų | 118 | 52.5 Ų | 52.5 | 62% | 0.618 | 26% | 0.259 | S | S | * | . | trans | 55.3 | 1.6 | 178.8 | -56.4 | 179.9 | 0 | 0 | 0 | 116.8 | R2079 R2080 | R2079-L2084 WeakPolarHBondContact CG-O 3.19Å; R2079-L2084 PolarHBondContact NH1-O 3.42Å; R2080-L2084 WeakPolarHBondContact O-CA 3.46Å; R2080-L2084 PolarHBondContact O-N 2.86Å | ||
| 2085 | K | 89.8 | Confident | 90 | Very high | 132 Ų | 132 | 58.8 Ų | 58.8 | 57% | 0.574 | 29% | 0.287 | S | S | * | . | trans | -63.4 | 138.5 | 170.4 | -73.2 | 179.9 | -178.1 | -176 | 0 | 110.4 | R2079 R2080 V2083 | R2079-K2085 WeakPolarHBondContact CA-O 3.34Å; R2080-K2085 PolarHBondContact N-O 2.81Å; V2083-K2085 HydrophobicContact CG1-CB 4.4Å; V2083-K2085 HydrophobicContact CG1-CD 3.87Å; V2083-K2085 HydrophobicContact CG1-CG 3.99Å; V2083-K2085 PolarHBondContact O-N 3.25Å | ||
| 2086 | L | 91.1 | Very high | 89.2 | Confident | 51 Ų | 51 | 61.3 Ų | 61.3 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 146.5 | 171.9 | -66.9 | 168.8 | 0 | 0 | 0 | 110.6 | L2077 R2079 N2089 | L2077-L2086 HydrophobicContact CD1-CD2 3.98Å; L2077-L2086 HydrophobicContact CD2-CD2 4.17Å; L2077-L2086 HydrophobicContact CG-CD2 3.84Å; R2079-L2086 HydrophobicContact CG-CD2 3.85Å; L2086-N2089 HydrophobicContact CD1-CB 4.33Å; L2086-N2089 HydrophobicContact CD2-CB 4.49Å |
| 2087 | C | 92.3 | Very high | 88.7 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.014 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | -14.9 | 173.3 | 62.2 | 0 | 0 | 0 | 0 | 113.2 | R2035 M2078 R2080 S2119 | R2035-C2087 HydrophobicContact CG-CB 4.33Å; R2035-C2087 WeakPolarHBondContact CG-O 3.43Å; R2035-C2087 PolarHBondContact NE-O 3.38Å; M2078-C2087 PolarHBondContact O-N 3.44Å; M2078-C2087 PolarHBondContact O-SG 3.17Å; R2080-C2087 HydrophobicContact CG-CB 3.89Å; C2087-S2119 PolarHBondContact O-OG 3.02Å |
| 2088 | L | 94.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 138.2 | 157.2 | -56.8 | 172.9 | 0 | 0 | 0 | 108.2 | A2024 V2040 I2076 L2077 M2078 D2117 L2128 V2130 | A2024-L2088 HydrophobicContact CB-CD1 3.96Å; A2024-L2088 HydrophobicContact CB-CD2 4.45Å; A2024-L2088 HydrophobicContact CB-CG 4.19Å; V2040-L2088 HydrophobicContact CG2-CD1 4.49Å; I2076-L2088 HydrophobicContact CG2-CD1 4.44Å; L2077-L2088 WeakPolarHBondContact CA-O 3.14Å; M2078-L2088 HydrophobicContact CB-CB 3.78Å; M2078-L2088 HydrophobicContact CB-CD1 3.98Å; M2078-L2088 HydrophobicContact CB-CG 4.02Å; M2078-L2088 PolarHBondContact N-O 2.73Å; M2078-L2088 PolarHBondContact O-N 3.37Å; M2078-L2088 HydrophobicContact SD-CD1 3.88Å; M2078-L2088 HydrophobicContact SD-CG 4.3Å; L2088-D2117 WeakPolarHBondContact CA-OD1 3.25Å; L2088-L2128 HydrophobicContact CD2-CD1 4.06Å; L2088-L2128 HydrophobicContact CD2-CD2 3.83Å; L2088-L2128 HydrophobicContact CD2-CG 4.41Å; L2088-V2130 HydrophobicContact CD1-CG1 4.07Å |
| 2089 | N | 94.9 | Very high | 87.9 | Confident | 30 Ų | 30 | 66.1 Ų | 66.1 | 16% | 0.16 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 90.8 | 169.6 | 177.1 | 42.1 | 0 | 0 | 0 | 108 | R2075 I2076 L2086 D2117 Y2118 | R2075-N2089 PolarHBondContact NH1-OD1 2.83Å; R2075-N2089 VanDerWaalsContact NH1-OD1 3.17Å; I2076-N2089 WeakPolarHBondContact O-CA 3.47Å; L2086-N2089 HydrophobicContact CD1-CB 4.33Å; L2086-N2089 HydrophobicContact CD2-CB 4.49Å; N2089-D2117 PolarHBondContact N-OD1 3.48Å; N2089-Y2118 WeakPolarHBondContact O-CB 3.22Å; N2089-Y2118 WeakPolarHBondContact O-CD2 3.5Å; N2089-Y2118 PolarHBondContact O-N 2.97Å |
| 2090 | H | 90 | Very high | 87.6 | Confident | 3 Ų | 3 | 68.8 Ų | 68.8 | 1% | 0.014 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 147.7 | -179.3 | 69.5 | 83.9 | 0 | 0 | 0 | 112.5 | R2075 I2076 W2113 E2116 | R2075-H2090 CarbonylContact C-O 3.53Å; R2075-H2090 VanDerWaalsContact CA-O 3.29Å; R2075-H2090 WeakPolarHBondContact CA-O 3.49Å; R2075-H2090 VanDerWaalsContact CB-O 3.26Å; R2075-H2090 WeakPolarHBondContact CB-O 3.49Å; I2076-H2090 VanDerWaalsContact CD1-CE1 3.43Å; I2076-H2090 WeakPolarHBondContact CD1-CE1 3.39Å; I2076-H2090 PolarHBondContact N-O 2.93Å; I2076-H2090 PolarHBondContact O-N 3.42Å; H2090-W2113 AromaticContact CD2-NE1 3.97Å; H2090-W2113 AromaticContact CE1-CE2 3.97Å; H2090-W2113 AromaticContact CE1-NE1 3.22Å; H2090-W2113 PolarHBondContact CE1-NE1 2.98Å; H2090-W2113 AromaticContact NE2-CE2 3.46Å; H2090-W2113 AromaticContact NE2-CZ2 3.46Å; H2090-W2113 WeakPolarHBondContact NE2-CZ2 3.37Å; H2090-W2113 AromaticContact NE2-NE1 2.93Å; H2090-W2113 PolarHBondContact NE2-NE1 3.05Å; H2090-E2116 WeakPolarHBondContact CB-O 3.39Å |
| 2091 | P | 92.3 | Very high | 87.2 | Confident | 67 Ų | 67 | 69 Ų | 69 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 159.7 | 176.4 | 28.7 | -34.9 | 0 | 0 | 0 | 112.3 | A2074 Y2118 | A2074-P2091 WeakPolarHBondContact O-CA 3.37Å; P2091-Y2118 HydrophobicContact CG-CE2 4.41Å |
| 2092 | I | 93.1 | Very high | 86.7 | Confident | 8 Ų | 8 | 67.8 Ų | 67.8 | 4% | 0.041 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 133.2 | 161.1 | -62.1 | 172.7 | 0 | 0 | 0 | 106.5 | V2042 A2074 I2076 L2096 V2145 A2148 Q2149 L2152 | V2042-I2092 HydrophobicContact CG1-CD1 3.76Å; A2074-I2092 HydrophobicContact CB-CB 4.06Å; A2074-I2092 HydrophobicContact CB-CD1 4.29Å; A2074-I2092 PolarHBondContact O-N 2.84Å; I2076-I2092 HydrophobicContact CD1-CD1 4.25Å; I2076-I2092 HydrophobicContact CD1-CG1 4.17Å; I2076-I2092 HydrophobicContact CG1-CD1 4.07Å; I2076-I2092 HydrophobicContact CG1-CG1 4.25Å; I2092-L2096 CarbonylContact C-O 3.47Å; I2092-L2096 WeakPolarHBondContact CA-O 3.17Å; I2092-L2096 WeakPolarHBondContact CG2-O 3.32Å; I2092-V2145 HydrophobicContact CD1-CG1 4.45Å; I2092-V2145 HydrophobicContact CD1-CG2 4.35Å; I2092-A2148 HydrophobicContact CD1-CB 4Å; I2092-A2148 HydrophobicContact CG2-CB 4.45Å; I2092-Q2149 HydrophobicContact CG2-CG 3.58Å; I2092-L2152 HydrophobicContact CG2-CD1 4.19Å; I2092-L2152 VanDerWaalsContact O-CD1 3.31Å; I2092-L2152 WeakPolarHBondContact O-CD1 3.48Å |
| 2093 | S | 86.3 | Confident | 85.9 | Confident | 47 Ų | 47 | 61.5 Ų | 61.5 | 33% | 0.329 | 34% | 0.337 | S | S | . | . | trans | -111.7 | 169.7 | 166.6 | 74.7 | 0 | 0 | 0 | 0 | 109.8 | E2095 L2096 Q2149 | S2093-E2095 PolarHBondContact O-N 3.05Å; S2093-E2095 PolarHBondContact OG-N 2.79Å; S2093-L2096 PolarHBondContact N-O 3.09Å; S2093-L2096 PolarHBondContact O-N 3.19Å; S2093-L2096 PolarHBondContact OG-N 2.78Å; S2093-L2096 VanDerWaalsContact OG-N 3.09Å; S2093-Q2149 WeakPolarHBondContact O-CG 3.39Å; S2093-Q2149 PolarHBondContact O-NE2 3.08Å | ||
| 2094 | H | 80.5 | Confident | 84.6 | Confident | 125 Ų | 125 | 66.2 Ų | 66.2 | 58% | 0.579 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -57.7 | -21.1 | 177.5 | 58.7 | -89.4 | 0 | 0 | 0 | 113.7 | ||
| 2095 | E | 77.1 | Confident | 83.1 | Confident | 136 Ų | 136 | 66.5 Ų | 66.5 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -106.3 | -25.2 | 176 | -52.2 | -165.1 | 147.6 | 0 | 0 | 114.6 | S2093 V2098 | S2093-E2095 PolarHBondContact O-N 3.05Å; S2093-E2095 PolarHBondContact OG-N 2.79Å; E2095-V2098 VanDerWaalsContact O-CG2 3.28Å; E2095-V2098 WeakPolarHBondContact O-CG2 3.4Å |
| 2096 | L | 79.1 | Confident | 81.4 | Confident | 86 Ų | 86 | 65.9 Ų | 65.9 | 45% | 0.45 | 38% | 0.378 | S | S | . | . | trans | -126.5 | 141.8 | -171.7 | -68.6 | 171 | 0 | 0 | 0 | 112.4 | I2092 S2093 V2098 Q2149 | I2092-L2096 CarbonylContact C-O 3.47Å; I2092-L2096 WeakPolarHBondContact CA-O 3.17Å; I2092-L2096 WeakPolarHBondContact CG2-O 3.32Å; S2093-L2096 PolarHBondContact N-O 3.09Å; S2093-L2096 PolarHBondContact O-N 3.19Å; S2093-L2096 PolarHBondContact OG-N 2.78Å; S2093-L2096 VanDerWaalsContact OG-N 3.09Å; L2096-V2098 HydrophobicContact CD2-CG2 4.27Å; L2096-Q2149 PolarHBondContact O-NE2 2.8Å | ||
| 2097 | P | 84.1 | Confident | 79.9 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.013 | 38% | 0.381 | C | S | . | . | cis | -85.4 | 136 | 6.9 | 32.4 | -34.8 | 0 | 0 | 0 | 114.1 | I2076 L2099 W2113 V2145 | I2076-P2097 HydrophobicContact CD1-CG 3.93Å; P2097-L2099 HydrophobicContact CB-CD2 4.46Å; P2097-L2099 HydrophobicContact CG-CD2 4.27Å; P2097-L2099 PolarHBondContact O-N 3.07Å; P2097-L2099 VanDerWaalsContact O-N 3.08Å; P2097-W2113 HydrophobicContact CB-CB 3.65Å; P2097-W2113 HydrophobicContact CB-CD2 4.31Å; P2097-W2113 HydrophobicContact CB-CG 3.48Å; P2097-W2113 VanDerWaalsContact CB-CG 3.48Å; P2097-W2113 HydrophobicContact CG-CG 4.37Å; P2097-V2145 HydrophobicContact CG-CG1 3.97Å | ||
| 2098 | V | 85.3 | Confident | 79 | Confident | 79 Ų | 79 | 67 Ų | 67 | 48% | 0.479 | 40% | 0.402 | S | S | . | . | trans | -77.1 | 95.1 | 167.1 | -179 | 0 | 0 | 0 | 0 | 109.4 | E2095 L2096 K2100 | E2095-V2098 VanDerWaalsContact O-CG2 3.28Å; E2095-V2098 WeakPolarHBondContact O-CG2 3.4Å; L2096-V2098 HydrophobicContact CD2-CG2 4.27Å; V2098-K2100 HydrophobicContact CG1-CG 4.43Å; V2098-K2100 PolarHBondContact O-N 3.29Å | ||
| 2099 | L | 89.9 | Confident | 78.6 | Confident | 24 Ų | 24 | 68.3 Ų | 68.3 | 13% | 0.126 | 41% | 0.41 | C | S | . | . | trans | -69.6 | 119.3 | 179.8 | -63 | 174.7 | 0 | 0 | 0 | 111.9 | P2097 W2113 F2141 K2142 V2145 | P2097-L2099 HydrophobicContact CB-CD2 4.46Å; P2097-L2099 HydrophobicContact CG-CD2 4.27Å; P2097-L2099 PolarHBondContact O-N 3.07Å; P2097-L2099 VanDerWaalsContact O-N 3.08Å; L2099-W2113 HydrophobicContact CD2-CB 4.23Å; L2099-W2113 HydrophobicContact CD2-CD2 3.86Å; L2099-W2113 HydrophobicContact CD2-CE3 3.42Å; L2099-W2113 VanDerWaalsContact CD2-CE3 3.42Å; L2099-W2113 HydrophobicContact CD2-CG 4.23Å; L2099-W2113 HydrophobicContact CD2-CZ3 4.01Å; L2099-F2141 HydrophobicContact CD1-CD1 4.22Å; L2099-F2141 HydrophobicContact CD1-CE1 4.17Å; L2099-F2141 HydrophobicContact CD2-CE1 3.98Å; L2099-K2142 HydrophobicContact CD1-CB 4.07Å; L2099-K2142 HydrophobicContact CD1-CG 3.98Å; L2099-V2145 HydrophobicContact CD1-CB 3.89Å; L2099-V2145 HydrophobicContact CD1-CG1 4.04Å; L2099-V2145 HydrophobicContact CD1-CG2 4.06Å | ||
| 2100 | K | 87.9 | Confident | 78.3 | Confident | 131 Ų | 131 | 67.4 Ų | 67.4 | 57% | 0.57 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 151.5 | 176.4 | -67.5 | 175.7 | -177.5 | 174.6 | 0 | 110.5 | V2098 L2111 C2112 | V2098-K2100 HydrophobicContact CG1-CG 4.43Å; V2098-K2100 PolarHBondContact O-N 3.29Å; K2100-L2111 CarbonylContact O-C 3.57Å; K2100-L2111 WeakPolarHBondContact O-CA 3.42Å; K2100-C2112 PolarHBondContact N-O 3.47Å; K2100-C2112 PolarHBondContact O-N 2.94Å; K2100-C2112 PolarHBondContact O-SG 3.24Å; K2100-C2112 VanDerWaalsContact O-SG 3.4Å |
| 2101 | P | 84.2 | Confident | 78.4 | Confident | 96 Ų | 96 | 67.9 Ų | 67.9 | 62% | 0.623 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 141.8 | 173.7 | 27.6 | -34.2 | 0 | 0 | 0 | 111.5 | G2103 | P2101-G2103 PolarHBondContact O-N 2.6Å |
| 2102 | M | 78.2 | Confident | 78.4 | Confident | 19 Ų | 19 | 65.7 Ų | 65.7 | 9% | 0.094 | 39% | 0.394 | C | S | . | . | trans | -79.3 | 79.2 | -174.7 | -167.7 | -177.6 | 72.5 | 0 | 0 | 112.8 | W2032 M2105 S2110 C2112 A2129 | W2032-M2102 HydrophobicContact CD2-SD 4.14Å; W2032-M2102 HydrophobicContact CG-SD 4.48Å; W2032-M2102 HydrophobicContact CZ2-CG 4.03Å; W2032-M2102 HydrophobicContact CZ2-SD 4.28Å; M2102-M2105 HydrophobicContact CE-CE 3.85Å; M2102-S2110 PolarHBondContact N-O 3.38Å; M2102-C2112 HydrophobicContact CB-CB 4.29Å; M2102-C2112 HydrophobicContact CG-CB 4.3Å; M2102-A2129 HydrophobicContact CG-CB 4.36Å; M2102-A2129 HydrophobicContact SD-CB 3.56Å; M2102-A2129 VanDerWaalsContact SD-CB 3.56Å | ||
| 2103 | G | 65.4 | Low | 78.5 | Confident | 55 Ų | 55 | 65.7 Ų | 65.7 | 57% | 0.567 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | -166.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P2101 M2105 | P2101-G2103 PolarHBondContact O-N 2.6Å; G2103-M2105 PolarHBondContact O-N 3.48Å; G2103-M2105 VanDerWaalsContact O-N 3.16Å |
| 2104 | N | 58.8 | Low | 78.6 | Confident | 180 Ų | 180 | 66.6 Ų | 66.6 | 96% | 0.963 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 16.8 | -175.2 | -68 | 5.2 | 0 | 0 | 0 | 114.2 | A2106 | N2104-A2106 PolarHBondContact O-N 3.34Š|
| 2105 | M | 51.5 | Low | 78.9 | Confident | 123 Ų | 123 | 61 Ų | 61 | 61% | 0.606 | 37% | 0.373 | S | S | * | . | trans | -78 | 120.9 | 176.1 | -74.3 | -165.4 | -79.7 | 0 | 0 | 109.5 | M2102 G2103 G2107 | M2102-M2105 HydrophobicContact CE-CE 3.85Å; G2103-M2105 PolarHBondContact O-N 3.48Å; G2103-M2105 VanDerWaalsContact O-N 3.16Å; M2105-G2107 PolarHBondContact O-N 3.18Å | ||
| 2106 | A | 53.8 | Low | 79.4 | Confident | 119 Ų | 119 | 58.6 Ų | 58.6 | 98% | 0.983 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -73.8 | 31 | -165.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | N2104 | N2104-A2106 PolarHBondContact O-N 3.34Š|
| 2107 | G | 59.7 | Low | 80 | Confident | 32 Ų | 32 | 54.5 Ų | 54.5 | 33% | 0.33 | 34% | 0.34 | S | S | . | . | trans | -125.3 | 124.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | M2105 N2109 | M2105-G2107 PolarHBondContact O-N 3.18Å; G2107-N2109 PolarHBondContact O-N 3.43Å | ||
| 2108 | G | 72.8 | Confident | 80.3 | Confident | 44 Ų | 44 | 56.7 Ų | 56.7 | 45% | 0.454 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -17.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S2110 D2135 | G2108-S2110 PolarHBondContact O-N 2.95Å; G2108-D2135 VanDerWaalsContact CA-OD1 3.32Å; G2108-D2135 WeakPolarHBondContact CA-OD1 3.35Å; G2108-D2135 PolarHBondContact N-OD1 3.1Å |
| 2109 | N | 86.4 | Confident | 80.4 | Confident | 29 Ų | 29 | 53.8 Ų | 53.8 | 16% | 0.155 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -38.9 | -18.3 | 170.7 | -81.1 | -79.1 | 0 | 0 | 0 | 117.5 | G2107 R2131 F2132 K2133 L2134 D2135 | G2107-N2109 PolarHBondContact O-N 3.43Å; N2109-R2131 WeakPolarHBondContact O-CA 3.47Å; N2109-F2132 PolarHBondContact O-N 2.81Å; N2109-F2132 PolarHBondContact OD1-O 2.89Å; N2109-K2133 PolarHBondContact OD1-O 3.31Å; N2109-L2134 WeakPolarHBondContact OD1-CA 3.47Å; N2109-L2134 PolarHBondContact OD1-N 3.24Å; N2109-L2134 PolarHBondContact OD1-O 3.31Å; N2109-D2135 VanDerWaalsContact CG-OD1 3.32Å; N2109-D2135 PolarHBondContact N-OD1 2.98Å; N2109-D2135 PolarHBondContact ND2-OD1 2.88Å; N2109-D2135 PolarHBondContact ND2-OD2 2.85Å; N2109-D2135 PolarHBondContact OD1-N 2.95Å |
| 2110 | S | 88.7 | Confident | 80.1 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 7% | 0.07 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 119.4 | -172 | -51.4 | 0 | 0 | 0 | 0 | 112.8 | M2102 G2108 V2130 R2131 | M2102-S2110 PolarHBondContact N-O 3.38Å; G2108-S2110 PolarHBondContact O-N 2.95Å; S2110-V2130 WeakPolarHBondContact CA-O 3.47Å; S2110-R2131 WeakPolarHBondContact OG-CG 3.37Å |
| 2111 | L | 92.5 | Very high | 79.4 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 7% | 0.068 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 138.2 | -178.3 | -65.8 | 170.9 | 0 | 0 | 0 | 110.5 | K2100 A2129 V2130 A2138 F2141 K2142 | K2100-L2111 CarbonylContact O-C 3.57Å; K2100-L2111 WeakPolarHBondContact O-CA 3.42Å; L2111-A2129 CarbonylContact O-C 3.49Å; L2111-A2129 WeakPolarHBondContact O-CA 3.49Å; L2111-A2129 WeakPolarHBondContact O-CB 3.19Å; L2111-V2130 PolarHBondContact N-O 2.9Å; L2111-V2130 PolarHBondContact O-N 3.16Å; L2111-A2138 HydrophobicContact CD1-CB 4.09Å; L2111-A2138 VanDerWaalsContact CD1-O 3.28Å; L2111-A2138 WeakPolarHBondContact CD1-O 3.47Å; L2111-A2138 HydrophobicContact CG-CB 4.4Å; L2111-F2141 HydrophobicContact CD1-CD1 3.94Å; L2111-K2142 HydrophobicContact CD1-CB 4.17Å |
| 2112 | C | 92.4 | Very high | 79 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 150.3 | 178 | 67.1 | 0 | 0 | 0 | 0 | 112.6 | W2032 K2100 M2102 L2128 A2129 | W2032-C2112 HydrophobicContact CH2-CB 3.81Å; W2032-C2112 HydrophobicContact CZ2-CB 4.07Å; K2100-C2112 PolarHBondContact N-O 3.47Å; K2100-C2112 PolarHBondContact O-N 2.94Å; K2100-C2112 PolarHBondContact O-SG 3.24Å; K2100-C2112 VanDerWaalsContact O-SG 3.4Å; M2102-C2112 HydrophobicContact CB-CB 4.29Å; M2102-C2112 HydrophobicContact CG-CB 4.3Å; C2112-L2128 CarbonylContact C-O 3.54Å; C2112-L2128 WeakPolarHBondContact CA-O 3.5Å; C2112-L2128 WeakPolarHBondContact CB-O 3.35Å; C2112-A2129 HydrophobicContact CB-CB 3.71Å |
| 2113 | W | 94.2 | Very high | 79.1 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 3% | 0.03 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | -178.9 | 178.8 | 63.9 | 98 | 0 | 0 | 0 | 111.1 | H2090 P2097 L2099 T2127 L2128 V2130 F2141 | H2090-W2113 AromaticContact CD2-NE1 3.97Å; H2090-W2113 AromaticContact CE1-CE2 3.97Å; H2090-W2113 AromaticContact CE1-NE1 3.22Å; H2090-W2113 PolarHBondContact CE1-NE1 2.98Å; H2090-W2113 AromaticContact NE2-CE2 3.46Å; H2090-W2113 AromaticContact NE2-CZ2 3.46Å; H2090-W2113 WeakPolarHBondContact NE2-CZ2 3.37Å; H2090-W2113 AromaticContact NE2-NE1 2.93Å; H2090-W2113 PolarHBondContact NE2-NE1 3.05Å; P2097-W2113 HydrophobicContact CB-CB 3.65Å; P2097-W2113 HydrophobicContact CB-CD2 4.31Å; P2097-W2113 HydrophobicContact CB-CG 3.48Å; P2097-W2113 VanDerWaalsContact CB-CG 3.48Å; P2097-W2113 HydrophobicContact CG-CG 4.37Å; L2099-W2113 HydrophobicContact CD2-CB 4.23Å; L2099-W2113 HydrophobicContact CD2-CD2 3.86Å; L2099-W2113 HydrophobicContact CD2-CE3 3.42Å; L2099-W2113 VanDerWaalsContact CD2-CE3 3.42Å; L2099-W2113 HydrophobicContact CD2-CG 4.23Å; L2099-W2113 HydrophobicContact CD2-CZ3 4.01Å; W2113-T2127 CarbonylContact O-C 3.58Å; W2113-T2127 WeakPolarHBondContact O-CA 3.23Å; W2113-L2128 HydrophobicContact CD2-CB 4.25Å; W2113-L2128 HydrophobicContact CZ2-CB 4.07Å; W2113-L2128 HydrophobicContact CZ2-CD1 4.43Å; W2113-L2128 PolarHBondContact N-O 3.15Å; W2113-L2128 PolarHBondContact O-N 2.87Å; W2113-V2130 HydrophobicContact CH2-CB 4.46Å; W2113-V2130 HydrophobicContact CH2-CG1 3.81Å; W2113-V2130 HydrophobicContact CH2-CG2 4.12Å; W2113-V2130 HydrophobicContact CZ3-CG1 4.35Å; W2113-V2130 HydrophobicContact CZ3-CG2 3.96Å; W2113-F2141 HydrophobicContact CH2-CE1 4.14Å; W2113-F2141 HydrophobicContact CH2-CZ 4.13Å; W2113-F2141 HydrophobicContact CZ3-CE1 4.06Å |
| 2114 | V | 88.8 | Confident | 79.9 | Confident | 65 Ų | 65 | 55.3 Ų | 55.3 | 39% | 0.394 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 137.7 | 168.1 | -174.2 | 0 | 0 | 0 | 0 | 107.6 | L2125 E2126 T2127 | V2114-L2125 HydrophobicContact CG1-CD1 3.89Å; V2114-L2125 HydrophobicContact CG1-CG 3.95Å; V2114-E2126 WeakPolarHBondContact CA-O 3.33Å; V2114-T2127 HydrophobicContact CG2-CG2 4.32Å |
| 2115 | G | 85.7 | Confident | 81.2 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 7% | 0.072 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 159.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | D2117 E2126 | G2115-D2117 PolarHBondContact O-N 3.33Å; G2115-E2126 PolarHBondContact N-O 2.84Å; G2115-E2126 VanDerWaalsContact N-O 3.1Å; G2115-E2126 PolarHBondContact O-N 3.34Å |
| 2116 | E | 88.8 | Confident | 82.9 | Confident | 86 Ų | 86 | 48.1 Ų | 48.1 | 40% | 0.402 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 97.1 | 177.2 | -65.2 | -168.3 | 171.8 | 0 | 0 | 110.6 | H2090 Y2118 S2124 L2125 | H2090-E2116 WeakPolarHBondContact CB-O 3.39Å; E2116-Y2118 HydrophobicContact CB-CE2 4.22Å; E2116-Y2118 WeakPolarHBondContact O-CD2 3.32Å; E2116-Y2118 VanDerWaalsContact O-CE2 3.26Å; E2116-Y2118 WeakPolarHBondContact O-CE2 3.49Å; E2116-S2124 CarbonylContact C-O 3.46Å; E2116-S2124 WeakPolarHBondContact CA-O 3.21Å; E2116-L2125 HydrophobicContact CG-CD1 3.75Å |
| 2117 | D | 91 | Very high | 84.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 131.1 | -179 | -172.6 | 63.5 | 0 | 0 | 0 | 112.5 | L2088 N2089 G2115 S2119 S2124 L2128 | L2088-D2117 WeakPolarHBondContact CA-OD1 3.25Å; N2089-D2117 PolarHBondContact N-OD1 3.48Å; G2115-D2117 PolarHBondContact O-N 3.33Å; D2117-S2119 WeakPolarHBondContact OD2-CB 3.43Å; D2117-S2119 PolarHBondContact OD2-N 2.63Å; D2117-S2119 PolarHBondContact OD2-OG 3.47Å; D2117-S2124 PolarHBondContact N-O 2.78Å; D2117-S2124 PolarHBondContact O-N 3.35Å; D2117-S2124 PolarHBondContact O-OG 3.46Å; D2117-L2128 HydrophobicContact CB-CD1 4.35Å |
| 2118 | Y | 91.4 | Very high | 86.4 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 19% | 0.188 | 27% | 0.272 | C | S | . | . | trans | -109.1 | 16.7 | 178.4 | -60.3 | -102.9 | 0 | 0 | 0 | 111.9 | N2089 P2091 E2116 E2120 G2121 A2123 | N2089-Y2118 WeakPolarHBondContact O-CB 3.22Å; N2089-Y2118 WeakPolarHBondContact O-CD2 3.5Å; N2089-Y2118 PolarHBondContact O-N 2.97Å; P2091-Y2118 HydrophobicContact CG-CE2 4.41Å; E2116-Y2118 HydrophobicContact CB-CE2 4.22Å; E2116-Y2118 WeakPolarHBondContact O-CD2 3.32Å; E2116-Y2118 VanDerWaalsContact O-CE2 3.26Å; E2116-Y2118 WeakPolarHBondContact O-CE2 3.49Å; Y2118-E2120 PolarHBondContact O-N 3.43Å; Y2118-G2121 PolarHBondContact O-N 3.22Å; Y2118-A2123 HydrophobicContact CD1-CB 3.97Å; Y2118-A2123 HydrophobicContact CE1-CB 3.47Å; Y2118-A2123 VanDerWaalsContact CE1-CB 3.47Å; Y2118-A2123 HydrophobicContact CE2-CB 4.41Å | ||
| 2119 | S | 86.4 | Confident | 87.4 | Confident | 18 Ų | 18 | 41.3 Ų | 41.3 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -20.6 | -176.3 | 69.3 | 0 | 0 | 0 | 0 | 114.2 | R2035 C2087 D2117 | R2035-S2119 PolarHBondContact NH2-OG 3.05Å; C2087-S2119 PolarHBondContact O-OG 3.02Å; D2117-S2119 WeakPolarHBondContact OD2-CB 3.43Å; D2117-S2119 PolarHBondContact OD2-N 2.63Å; D2117-S2119 PolarHBondContact OD2-OG 3.47Å |
| 2120 | E | 82.7 | Confident | 87.8 | Confident | 124 Ų | 124 | 40 Ų | 40 | 58% | 0.579 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 10.3 | 172.3 | -78.9 | 174.8 | -151 | 0 | 0 | 113.6 | R2026 R2035 Y2118 S2122 | R2026-E2120 IonicContact NH1-OE1 2.65Å; R2035-E2120 IonicContact CZ-OE1 3.39Å; R2035-E2120 IonicContact NH1-OE1 3.27Å; R2035-E2120 PolarHBondContact NH1-OE1 3.17Å; R2035-E2120 IonicContact NH2-OE1 2.94Å; R2035-E2120 PolarHBondContact NH2-OE1 3.32Å; Y2118-E2120 PolarHBondContact O-N 3.43Å; E2120-S2122 VanDerWaalsContact C-N 3.35Å; E2120-S2122 PolarHBondContact O-N 3.37Å |
| 2121 | G | 74.7 | Confident | 88 | Confident | 71 Ų | 71 | 45.3 Ų | 45.3 | 73% | 0.732 | 26% | 0.262 | S | S | * | . | S | Bend | trans | 89.5 | -20.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y2118 | Y2118-G2121 PolarHBondContact O-N 3.22Š|
| 2122 | S | 75 | Confident | 88.2 | Confident | 80 Ų | 80 | 45 Ų | 45 | 56% | 0.559 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -112.4 | 143.7 | 167.3 | 59.2 | 0 | 0 | 0 | 0 | 110.9 | E2120 S2124 | E2120-S2122 VanDerWaalsContact C-N 3.35Å; E2120-S2122 PolarHBondContact O-N 3.37Å; S2122-S2124 PolarHBondContact O-N 2.98Å |
| 2123 | A | 80.9 | Confident | 88.1 | Confident | 50 Ų | 50 | 52.8 Ų | 52.8 | 41% | 0.413 | 29% | 0.292 | S | S | . | . | trans | -58.3 | 127.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y2118 | Y2118-A2123 HydrophobicContact CD1-CB 3.97Å; Y2118-A2123 HydrophobicContact CE1-CB 3.47Å; Y2118-A2123 VanDerWaalsContact CE1-CB 3.47Å; Y2118-A2123 HydrophobicContact CE2-CB 4.41Å | ||
| 2124 | S | 81.6 | Confident | 87.8 | Confident | 33 Ų | 33 | 56.8 Ų | 56.8 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 121.2 | 176.8 | 56.5 | 0 | 0 | 0 | 0 | 109.8 | E2116 D2117 S2122 E2126 | E2116-S2124 CarbonylContact C-O 3.46Å; E2116-S2124 WeakPolarHBondContact CA-O 3.21Å; D2117-S2124 PolarHBondContact N-O 2.78Å; D2117-S2124 PolarHBondContact O-N 3.35Å; D2117-S2124 PolarHBondContact O-OG 3.46Å; S2122-S2124 PolarHBondContact O-N 2.98Å; S2124-E2126 VanDerWaalsContact C-N 3.33Å; S2124-E2126 PolarHBondContact O-N 3.02Å |
| 2125 | L | 86.6 | Confident | 87.7 | Confident | 127 Ų | 127 | 57 Ų | 57 | 67% | 0.665 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 87.4 | 179.1 | -170.9 | 73.2 | 0 | 0 | 0 | 109.3 | V2114 E2116 | V2114-L2125 HydrophobicContact CG1-CD1 3.89Å; V2114-L2125 HydrophobicContact CG1-CG 3.95Å; E2116-L2125 HydrophobicContact CG-CD1 3.75Å |
| 2126 | E | 87.9 | Confident | 88 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 12% | 0.117 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 148.2 | -179.7 | -69.1 | -157.2 | 155.6 | 0 | 0 | 111.5 | R2026 V2114 G2115 S2124 L2128 | R2026-E2126 WeakPolarHBondContact CB-OE2 3.46Å; R2026-E2126 WeakPolarHBondContact CD-OE1 3.48Å; R2026-E2126 WeakPolarHBondContact CD-OE2 3.48Å; R2026-E2126 IonicContact CZ-OE1 2.63Å; R2026-E2126 IonicContact NE-OE1 3.97Å; R2026-E2126 IonicContact NH1-OE1 3.66Å; R2026-E2126 PolarHBondContact NH1-OE1 2.68Å; V2114-E2126 WeakPolarHBondContact CA-O 3.33Å; G2115-E2126 PolarHBondContact N-O 2.84Å; G2115-E2126 VanDerWaalsContact N-O 3.1Å; G2115-E2126 PolarHBondContact O-N 3.34Å; S2124-E2126 VanDerWaalsContact C-N 3.33Å; S2124-E2126 PolarHBondContact O-N 3.02Å; E2126-L2128 HydrophobicContact CB-CD2 3.8Å; E2126-L2128 HydrophobicContact CB-CG 4.05Å |
| 2127 | T | 92.3 | Very high | 88.2 | Confident | 51 Ų | 51 | 57.2 Ų | 57.2 | 31% | 0.313 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 114.8 | 164.6 | -60.9 | 0 | 0 | 0 | 0 | 107.9 | Y2027 W2032 W2113 V2114 | Y2027-T2127 PolarHBondContact N-O 2.6Å; W2032-T2127 HydrophobicContact CH2-CG2 3.9Å; W2113-T2127 CarbonylContact O-C 3.58Å; W2113-T2127 WeakPolarHBondContact O-CA 3.23Å; V2114-T2127 HydrophobicContact CG2-CG2 4.32Å |
| 2128 | L | 94.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 154.9 | -166.5 | -62.2 | 169.2 | 0 | 0 | 0 | 110.4 | R2026 L2088 C2112 W2113 D2117 E2126 | R2026-L2128 HydrophobicContact CB-CD2 4.17Å; L2088-L2128 HydrophobicContact CD2-CD1 4.06Å; L2088-L2128 HydrophobicContact CD2-CD2 3.83Å; L2088-L2128 HydrophobicContact CD2-CG 4.41Å; C2112-L2128 CarbonylContact C-O 3.54Å; C2112-L2128 WeakPolarHBondContact CA-O 3.5Å; C2112-L2128 WeakPolarHBondContact CB-O 3.35Å; W2113-L2128 HydrophobicContact CD2-CB 4.25Å; W2113-L2128 HydrophobicContact CZ2-CB 4.07Å; W2113-L2128 HydrophobicContact CZ2-CD1 4.43Å; W2113-L2128 PolarHBondContact N-O 3.15Å; W2113-L2128 PolarHBondContact O-N 2.87Å; D2117-L2128 HydrophobicContact CB-CD1 4.35Å; E2126-L2128 HydrophobicContact CB-CD2 3.8Å; E2126-L2128 HydrophobicContact CB-CG 4.05Å |
| 2129 | A | 93.5 | Very high | 88.2 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.008 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 151.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112 | A2024 Y2025 W2032 M2102 L2111 C2112 | A2024-A2129 CarbonylContact C-O 3.52Å; A2024-A2129 WeakPolarHBondContact CA-O 3.35Å; Y2025-A2129 PolarHBondContact N-O 3.01Å; Y2025-A2129 PolarHBondContact O-N 3.17Å; W2032-A2129 HydrophobicContact CE3-CB 4.06Å; W2032-A2129 HydrophobicContact CH2-CB 3.61Å; W2032-A2129 HydrophobicContact CZ2-CB 4.32Å; W2032-A2129 HydrophobicContact CZ3-CB 3.46Å; W2032-A2129 VanDerWaalsContact CZ3-CB 3.46Å; M2102-A2129 HydrophobicContact CG-CB 4.36Å; M2102-A2129 HydrophobicContact SD-CB 3.56Å; M2102-A2129 VanDerWaalsContact SD-CB 3.56Å; L2111-A2129 CarbonylContact O-C 3.49Å; L2111-A2129 WeakPolarHBondContact O-CA 3.49Å; L2111-A2129 WeakPolarHBondContact O-CB 3.19Å; C2112-A2129 HydrophobicContact CB-CB 3.71Å |
| 2130 | V | 94.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 145.6 | 165.4 | -65.4 | 0 | 0 | 0 | 0 | 110.7 | C2022 R2023 A2024 L2088 S2110 L2111 W2113 F2132 F2141 | C2022-V2130 HydrophobicContact CB-CB 4.27Å; R2023-V2130 CarbonylContact O-C 3.56Å; R2023-V2130 VanDerWaalsContact O-CA 3.32Å; R2023-V2130 WeakPolarHBondContact O-CA 3.4Å; A2024-V2130 HydrophobicContact CB-CG1 4.26Å; L2088-V2130 HydrophobicContact CD1-CG1 4.07Å; S2110-V2130 WeakPolarHBondContact CA-O 3.47Å; L2111-V2130 PolarHBondContact N-O 2.9Å; L2111-V2130 PolarHBondContact O-N 3.16Å; W2113-V2130 HydrophobicContact CH2-CB 4.46Å; W2113-V2130 HydrophobicContact CH2-CG1 3.81Å; W2113-V2130 HydrophobicContact CH2-CG2 4.12Å; W2113-V2130 HydrophobicContact CZ3-CG1 4.35Å; W2113-V2130 HydrophobicContact CZ3-CG2 3.96Å; V2130-F2132 HydrophobicContact CB-CE2 4.36Å; V2130-F2132 HydrophobicContact CG2-CD2 4.14Å; V2130-F2132 HydrophobicContact CG2-CE2 3.4Å; V2130-F2132 VanDerWaalsContact CG2-CE2 3.4Å; V2130-F2132 HydrophobicContact CG2-CZ 3.85Å; V2130-F2141 HydrophobicContact CG2-CD1 4.28Å; V2130-F2141 HydrophobicContact CG2-CE1 4.06Å |
| 2131 | R | 93.1 | Very high | 89.1 | Confident | 122 Ų | 122 | 58.7 Ų | 58.7 | 46% | 0.46 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 117.2 | 170.5 | -178.7 | 169.3 | -176.5 | -177.1 | 5.5 | 109.4 | C2022 R2023 Y2025 N2109 S2110 | C2022-R2131 WeakPolarHBondContact CA-O 3.44Å; C2022-R2131 WeakPolarHBondContact CB-O 3.49Å; R2023-R2131 PolarHBondContact N-O 2.67Å; R2023-R2131 PolarHBondContact O-N 3.19Å; Y2025-R2131 HydrophobicContact CE2-CB 3.97Å; N2109-R2131 WeakPolarHBondContact O-CA 3.47Å; S2110-R2131 WeakPolarHBondContact OG-CG 3.37Å |
| 2132 | F | 95.4 | Very high | 90 | Very high | 8 Ų | 8 | 60.8 Ų | 60.8 | 4% | 0.035 | 31% | 0.313 | C | S | . | . | trans | -86.2 | 175.4 | 172.1 | -64.5 | -80.9 | 0 | 0 | 0 | 111.1 | F2018 R2020 C2022 V2040 N2109 V2130 D2137 A2138 F2141 | F2018-F2132 AromaticContact CE1-CE1 3.9Å; F2018-F2132 HydrophobicContact CE1-CE1 3.9Å; F2018-F2132 AromaticContact CE1-CZ 3.88Å; F2018-F2132 HydrophobicContact CE1-CZ 3.88Å; F2018-F2132 AromaticContact CZ-CE1 3.79Å; F2018-F2132 HydrophobicContact CZ-CE1 3.79Å; F2018-F2132 AromaticContact CZ-CZ 3.85Å; F2018-F2132 HydrophobicContact CZ-CZ 3.85Å; R2020-F2132 HydrophobicContact CB-CD1 4.07Å; R2020-F2132 HydrophobicContact CB-CE1 3.8Å; C2022-F2132 HydrophobicContact CB-CD1 3.61Å; C2022-F2132 HydrophobicContact CB-CE1 3.59Å; C2022-F2132 HydrophobicContact CB-CG 4.22Å; C2022-F2132 HydrophobicContact CB-CZ 4.22Å; V2040-F2132 HydrophobicContact CG1-CE1 3.79Å; V2040-F2132 HydrophobicContact CG1-CZ 3.78Å; N2109-F2132 PolarHBondContact O-N 2.81Å; N2109-F2132 PolarHBondContact OD1-O 2.89Å; V2130-F2132 HydrophobicContact CB-CE2 4.36Å; V2130-F2132 HydrophobicContact CG2-CD2 4.14Å; V2130-F2132 HydrophobicContact CG2-CE2 3.4Å; V2130-F2132 VanDerWaalsContact CG2-CE2 3.4Å; V2130-F2132 HydrophobicContact CG2-CZ 3.85Å; F2132-D2137 HydrophobicContact CB-CB 3.66Å; F2132-D2137 HydrophobicContact CD1-CB 3.71Å; F2132-D2137 HydrophobicContact CD2-CB 4.5Å; F2132-D2137 HydrophobicContact CG-CB 3.71Å; F2132-A2138 HydrophobicContact CD2-CB 3.77Å; F2132-A2138 HydrophobicContact CE2-CB 4.43Å; F2132-F2141 HydrophobicContact CE2-CB 3.71Å; F2132-F2141 AromaticContact CE2-CD1 3.98Å; F2132-F2141 HydrophobicContact CE2-CD1 3.98Å; F2132-F2141 AromaticContact CE2-CG 3.86Å; F2132-F2141 HydrophobicContact CE2-CG 3.86Å; F2132-F2141 HydrophobicContact CZ-CB 3.69Å; F2132-F2141 HydrophobicContact CZ-CD1 4.21Å; F2132-F2141 HydrophobicContact CZ-CD2 4.06Å; F2132-F2141 AromaticContact CZ-CG 3.73Å; F2132-F2141 HydrophobicContact CZ-CG 3.73Å | ||
| 2133 | K | 90.9 | Very high | 90.8 | Very high | 184 Ų | 184 | 59.7 Ų | 59.7 | 80% | 0.8 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -90.7 | -29.7 | 177.6 | -172 | -176.9 | 175.2 | -168.6 | 0 | 112.1 | N2109 | N2109-K2133 PolarHBondContact OD1-O 3.31Š|
| 2134 | L | 88.8 | Confident | 91.5 | Very high | 92 Ų | 92 | 57.7 Ų | 57.7 | 48% | 0.482 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -120.7 | 141.8 | 179.5 | -54.5 | 173.2 | 0 | 0 | 0 | 109.4 | N2109 T2136 D2137 | N2109-L2134 WeakPolarHBondContact OD1-CA 3.47Å; N2109-L2134 PolarHBondContact OD1-N 3.24Å; N2109-L2134 PolarHBondContact OD1-O 3.31Å; L2134-T2136 WeakPolarHBondContact CB-OG1 3.31Å; L2134-T2136 PolarHBondContact O-N 3.28Å; L2134-D2137 PolarHBondContact N-OD2 3.49Å; L2134-D2137 WeakPolarHBondContact O-CB 3.44Å; L2134-D2137 PolarHBondContact O-N 3.48Å; L2134-D2137 VanDerWaalsContact O-N 3.15Å |
| 2135 | D | 86.7 | Confident | 92.1 | Very high | 71 Ų | 71 | 56.1 Ų | 56.1 | 38% | 0.38 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62 | -31.7 | 176.5 | -61.2 | -83.5 | 0 | 0 | 0 | 111.1 | G2108 N2109 D2137 A2138 E2139 | G2108-D2135 VanDerWaalsContact CA-OD1 3.32Å; G2108-D2135 WeakPolarHBondContact CA-OD1 3.35Å; G2108-D2135 PolarHBondContact N-OD1 3.1Å; N2109-D2135 VanDerWaalsContact CG-OD1 3.32Å; N2109-D2135 PolarHBondContact N-OD1 2.98Å; N2109-D2135 PolarHBondContact ND2-OD1 2.88Å; N2109-D2135 PolarHBondContact ND2-OD2 2.85Å; N2109-D2135 PolarHBondContact OD1-N 2.95Å; D2135-D2137 PolarHBondContact O-N 3.18Å; D2135-A2138 WeakPolarHBondContact O-CB 3.39Å; D2135-A2138 PolarHBondContact O-N 3.08Å; D2135-A2138 VanDerWaalsContact O-N 3.13Å; D2135-E2139 PolarHBondContact O-N 3.12Å |
| 2136 | T | 90.6 | Very high | 92.4 | Very high | 78 Ų | 78 | 52.4 Ų | 52.4 | 48% | 0.479 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 174.3 | 54.7 | 0 | 0 | 0 | 0 | 113 | L2134 A2138 E2139 E2140 | L2134-T2136 WeakPolarHBondContact CB-OG1 3.31Å; L2134-T2136 PolarHBondContact O-N 3.28Å; T2136-A2138 PolarHBondContact O-N 2.85Å; T2136-E2139 PolarHBondContact O-N 3.13Å; T2136-E2140 WeakPolarHBondContact O-CB 3.42Å; T2136-E2140 WeakPolarHBondContact O-CG 3.43Å; T2136-E2140 PolarHBondContact O-N 3.27Å |
| 2137 | D | 94.1 | Very high | 92.6 | Very high | 19 Ų | 19 | 53.3 Ų | 53.3 | 10% | 0.102 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -33.8 | 177 | -62.9 | -34.5 | 0 | 0 | 0 | 111 | F2018 R2020 F2132 L2134 D2135 F2141 | F2018-D2137 WeakPolarHBondContact CZ-O 3.27Å; R2020-D2137 WeakPolarHBondContact CD-OD1 3.28Å; R2020-D2137 HydrophobicContact CG-CB 4.26Å; R2020-D2137 IonicContact NE-OD1 3.16Å; R2020-D2137 PolarHBondContact NE-OD1 3.48Å; F2132-D2137 HydrophobicContact CB-CB 3.66Å; F2132-D2137 HydrophobicContact CD1-CB 3.71Å; F2132-D2137 HydrophobicContact CD2-CB 4.5Å; F2132-D2137 HydrophobicContact CG-CB 3.71Å; L2134-D2137 PolarHBondContact N-OD2 3.49Å; L2134-D2137 WeakPolarHBondContact O-CB 3.44Å; L2134-D2137 PolarHBondContact O-N 3.48Å; L2134-D2137 VanDerWaalsContact O-N 3.15Å; D2135-D2137 PolarHBondContact O-N 3.18Å; D2137-F2141 WeakPolarHBondContact O-CB 3.45Å; D2137-F2141 PolarHBondContact O-N 3.32Å |
| 2138 | A | 90.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73.5 | -38 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L2111 F2132 D2135 T2136 F2141 K2142 | L2111-A2138 HydrophobicContact CD1-CB 4.09Å; L2111-A2138 VanDerWaalsContact CD1-O 3.28Å; L2111-A2138 WeakPolarHBondContact CD1-O 3.47Å; L2111-A2138 HydrophobicContact CG-CB 4.4Å; F2132-A2138 HydrophobicContact CD2-CB 3.77Å; F2132-A2138 HydrophobicContact CE2-CB 4.43Å; D2135-A2138 WeakPolarHBondContact O-CB 3.39Å; D2135-A2138 PolarHBondContact O-N 3.08Å; D2135-A2138 VanDerWaalsContact O-N 3.13Å; T2136-A2138 PolarHBondContact O-N 2.85Å; A2138-F2141 PolarHBondContact O-N 3.06Å; A2138-K2142 WeakPolarHBondContact O-CB 3.14Å; A2138-K2142 PolarHBondContact O-N 3.38Å |
| 2139 | E | 90.8 | Very high | 92.5 | Very high | 142 Ų | 142 | 52.6 Ų | 52.6 | 66% | 0.664 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -67.4 | -44.1 | 173 | -68.4 | -173.1 | 162.3 | 0 | 0 | 111.9 | D2135 T2136 F2141 K2142 A2143 | D2135-E2139 PolarHBondContact O-N 3.12Å; T2136-E2139 PolarHBondContact O-N 3.13Å; E2139-F2141 PolarHBondContact O-N 2.76Å; E2139-K2142 PolarHBondContact O-N 2.81Å; E2139-A2143 WeakPolarHBondContact O-CB 3.43Å; E2139-A2143 PolarHBondContact O-N 3.27Å |
| 2140 | E | 93.2 | Very high | 92.3 | Very high | 77 Ų | 77 | 54.8 Ų | 54.8 | 36% | 0.36 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58 | -44.5 | 171.9 | -76 | 178.3 | -173.3 | 0 | 0 | 111.5 | F2018 R2020 T2136 K2142 A2143 A2144 | F2018-E2140 HydrophobicContact CD2-CB 4.09Å; F2018-E2140 HydrophobicContact CE2-CB 3.61Å; R2020-E2140 IonicContact CZ-OE2 2.7Å; R2020-E2140 VanDerWaalsContact CZ-OE2 3.29Å; R2020-E2140 IonicContact NE-OE2 3.27Å; R2020-E2140 PolarHBondContact NE-OE2 3.02Å; R2020-E2140 IonicContact NH2-OE1 2.75Å; R2020-E2140 IonicContact NH2-OE2 3.51Å; R2020-E2140 PolarHBondContact NH2-OE2 2.88Å; T2136-E2140 WeakPolarHBondContact O-CB 3.42Å; T2136-E2140 WeakPolarHBondContact O-CG 3.43Å; T2136-E2140 PolarHBondContact O-N 3.27Å; E2140-K2142 PolarHBondContact O-N 2.7Å; E2140-A2143 PolarHBondContact O-N 2.93Å; E2140-A2144 WeakPolarHBondContact O-CB 3.3Å; E2140-A2144 PolarHBondContact O-N 3.1Å |
| 2141 | F | 95.5 | Very high | 92 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 176.2 | 179.7 | -113.8 | 0 | 0 | 0 | 111.7 | F2018 V2040 V2042 I2076 L2099 L2111 W2113 V2130 F2132 D2137 A2138 E2139 A2144 V2145 | F2018-F2141 AromaticContact CD1-CD2 3.69Å; F2018-F2141 HydrophobicContact CD1-CD2 3.69Å; F2018-F2141 HydrophobicContact CD2-CB 4.47Å; F2018-F2141 HydrophobicContact CE1-CB 3.91Å; F2018-F2141 AromaticContact CE1-CD2 3.56Å; F2018-F2141 HydrophobicContact CE1-CD2 3.56Å; F2018-F2141 HydrophobicContact CE1-CG 4.16Å; F2018-F2141 HydrophobicContact CE2-CB 3.89Å; F2018-F2141 HydrophobicContact CG-CD2 4.35Å; F2018-F2141 HydrophobicContact CZ-CB 3.54Å; F2018-F2141 HydrophobicContact CZ-CD2 4.12Å; F2018-F2141 HydrophobicContact CZ-CG 4.29Å; V2040-F2141 HydrophobicContact CG1-CE2 4.45Å; V2040-F2141 HydrophobicContact CG2-CE2 4.18Å; V2042-F2141 HydrophobicContact CG2-CD2 3.96Å; V2042-F2141 HydrophobicContact CG2-CE2 3.71Å; I2076-F2141 HydrophobicContact CD1-CE2 4.4Å; I2076-F2141 HydrophobicContact CD1-CZ 3.88Å; I2076-F2141 HydrophobicContact CG1-CE2 4.33Å; I2076-F2141 HydrophobicContact CG1-CZ 4.25Å; L2099-F2141 HydrophobicContact CD1-CD1 4.22Å; L2099-F2141 HydrophobicContact CD1-CE1 4.17Å; L2099-F2141 HydrophobicContact CD2-CE1 3.98Å; L2111-F2141 HydrophobicContact CD1-CD1 3.94Å; W2113-F2141 HydrophobicContact CH2-CE1 4.14Å; W2113-F2141 HydrophobicContact CH2-CZ 4.13Å; W2113-F2141 HydrophobicContact CZ3-CE1 4.06Å; V2130-F2141 HydrophobicContact CG2-CD1 4.28Å; V2130-F2141 HydrophobicContact CG2-CE1 4.06Å; F2132-F2141 HydrophobicContact CE2-CB 3.71Å; F2132-F2141 AromaticContact CE2-CD1 3.98Å; F2132-F2141 HydrophobicContact CE2-CD1 3.98Å; F2132-F2141 AromaticContact CE2-CG 3.86Å; F2132-F2141 HydrophobicContact CE2-CG 3.86Å; F2132-F2141 HydrophobicContact CZ-CB 3.69Å; F2132-F2141 HydrophobicContact CZ-CD1 4.21Å; F2132-F2141 HydrophobicContact CZ-CD2 4.06Å; F2132-F2141 AromaticContact CZ-CG 3.73Å; F2132-F2141 HydrophobicContact CZ-CG 3.73Å; D2137-F2141 WeakPolarHBondContact O-CB 3.45Å; D2137-F2141 PolarHBondContact O-N 3.32Å; A2138-F2141 PolarHBondContact O-N 3.06Å; E2139-F2141 PolarHBondContact O-N 2.76Å; F2141-A2144 PolarHBondContact O-N 2.95Å; F2141-V2145 HydrophobicContact CD2-CG2 4.5Å; F2141-V2145 HydrophobicContact CE1-CG2 4.37Å; F2141-V2145 HydrophobicContact CE2-CG2 4.16Å; F2141-V2145 HydrophobicContact CZ-CG2 4.09Å; F2141-V2145 WeakPolarHBondContact O-CG2 3.47Å; F2141-V2145 PolarHBondContact O-N 2.92Å |
| 2142 | K | 92.2 | Very high | 91.8 | Very high | 115 Ų | 115 | 50.5 Ų | 50.5 | 50% | 0.5 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 178.2 | -173.4 | -177 | 177.4 | -170 | 0 | 111.7 | L2099 L2111 A2138 E2139 E2140 A2146 | L2099-K2142 HydrophobicContact CD1-CB 4.07Å; L2099-K2142 HydrophobicContact CD1-CG 3.98Å; L2111-K2142 HydrophobicContact CD1-CB 4.17Å; A2138-K2142 WeakPolarHBondContact O-CB 3.14Å; A2138-K2142 PolarHBondContact O-N 3.38Å; E2139-K2142 PolarHBondContact O-N 2.81Å; E2140-K2142 PolarHBondContact O-N 2.7Å; K2142-A2146 WeakPolarHBondContact O-CB 3.48Å; K2142-A2146 PolarHBondContact O-N 2.95Å |
| 2143 | A | 93 | Very high | 91.3 | Very high | 57 Ų | 57 | 53.9 Ų | 53.9 | 47% | 0.471 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | E2139 E2140 A2146 R2147 | E2139-A2143 WeakPolarHBondContact O-CB 3.43Å; E2139-A2143 PolarHBondContact O-N 3.27Å; E2140-A2143 PolarHBondContact O-N 2.93Å; A2143-A2146 PolarHBondContact O-N 2.91Å; A2143-R2147 WeakPolarHBondContact O-CB 3.47Å; A2143-R2147 PolarHBondContact O-N 3.49Å |
| 2144 | A | 94.6 | Very high | 90.6 | Very high | 7 Ų | 7 | 51.1 Ų | 51.1 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | I2017 F2018 V2042 E2140 F2141 R2147 A2148 | I2017-A2144 HydrophobicContact CD1-CB 4.4Å; I2017-A2144 VanDerWaalsContact CD1-O 3.28Å; I2017-A2144 WeakPolarHBondContact CD1-O 3.33Å; I2017-A2144 HydrophobicContact CG1-CB 4.4Å; F2018-A2144 HydrophobicContact CB-CB 3.56Å; F2018-A2144 HydrophobicContact CD2-CB 4.28Å; F2018-A2144 HydrophobicContact CG-CB 4.18Å; V2042-A2144 HydrophobicContact CG2-CB 4.37Å; E2140-A2144 WeakPolarHBondContact O-CB 3.3Å; E2140-A2144 PolarHBondContact O-N 3.1Å; F2141-A2144 PolarHBondContact O-N 2.95Å; A2144-R2147 PolarHBondContact O-N 2.96Å; A2144-A2148 PolarHBondContact O-N 2.76Å |
| 2145 | V | 94.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62 | -45.4 | 172.1 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | V2042 I2076 I2092 P2097 L2099 F2141 R2147 A2148 Q2149 | V2042-V2145 HydrophobicContact CG2-CG2 4.04Å; I2076-V2145 HydrophobicContact CD1-CG2 3.99Å; I2092-V2145 HydrophobicContact CD1-CG1 4.45Å; I2092-V2145 HydrophobicContact CD1-CG2 4.35Å; P2097-V2145 HydrophobicContact CG-CG1 3.97Å; L2099-V2145 HydrophobicContact CD1-CB 3.89Å; L2099-V2145 HydrophobicContact CD1-CG1 4.04Å; L2099-V2145 HydrophobicContact CD1-CG2 4.06Å; F2141-V2145 HydrophobicContact CD2-CG2 4.5Å; F2141-V2145 HydrophobicContact CE1-CG2 4.37Å; F2141-V2145 HydrophobicContact CE2-CG2 4.16Å; F2141-V2145 HydrophobicContact CZ-CG2 4.09Å; F2141-V2145 WeakPolarHBondContact O-CG2 3.47Å; F2141-V2145 PolarHBondContact O-N 2.92Å; V2145-R2147 VanDerWaalsContact C-N 3.33Å; V2145-R2147 PolarHBondContact O-N 3.49Å; V2145-A2148 PolarHBondContact O-N 3.41Å; V2145-Q2149 HydrophobicContact CG1-CG 4.42Å; V2145-Q2149 WeakPolarHBondContact O-CG 3.46Å; V2145-Q2149 PolarHBondContact O-N 3.25Å |
| 2146 | A | 92.4 | Very high | 89.5 | Confident | 49 Ų | 49 | 48.4 Ų | 48.4 | 41% | 0.405 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K2142 A2143 Q2149 A2150 | K2142-A2146 WeakPolarHBondContact O-CB 3.48Å; K2142-A2146 PolarHBondContact O-N 2.95Å; A2143-A2146 PolarHBondContact O-N 2.91Å; A2146-Q2149 PolarHBondContact O-N 3.33Å; A2146-A2150 WeakPolarHBondContact O-CB 3.23Å; A2146-A2150 PolarHBondContact O-N 3.17Å |
| 2147 | R | 92.8 | Very high | 89.4 | Confident | 43 Ų | 43 | 46.8 Ų | 46.8 | 16% | 0.162 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 173.8 | -175 | -177.2 | -177.7 | -165.1 | 2.2 | 111.6 | V2062 P2063 L2064 Y2066 L2068 A2143 A2144 V2145 A2151 | V2062-R2147 PolarHBondContact O-NH1 3.18Å; P2063-R2147 PolarHBondContact O-NH1 3.49Å; P2063-R2147 PolarHBondContact O-NH2 3.3Å; L2064-R2147 PolarHBondContact O-NH2 2.94Å; Y2066-R2147 PolarHBondContact O-NH2 3.12Å; L2068-R2147 HydrophobicContact CD1-CG 4.41Å; A2143-R2147 WeakPolarHBondContact O-CB 3.47Å; A2143-R2147 PolarHBondContact O-N 3.49Å; A2144-R2147 PolarHBondContact O-N 2.96Å; V2145-R2147 VanDerWaalsContact C-N 3.33Å; V2145-R2147 PolarHBondContact O-N 3.49Å; R2147-A2151 WeakPolarHBondContact O-CB 3.35Å; R2147-A2151 PolarHBondContact O-N 3.39Å |
| 2148 | A | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I2017 V2042 V2044 A2074 I2092 A2144 V2145 L2152 | I2017-A2148 HydrophobicContact CD1-CB 3.98Å; V2042-A2148 HydrophobicContact CG1-CB 4.39Å; V2044-A2148 HydrophobicContact CG1-CB 4.12Å; A2074-A2148 HydrophobicContact CB-CB 3.91Å; I2092-A2148 HydrophobicContact CD1-CB 4Å; I2092-A2148 HydrophobicContact CG2-CB 4.45Å; A2144-A2148 PolarHBondContact O-N 2.76Å; V2145-A2148 PolarHBondContact O-N 3.41Å; A2148-L2152 WeakPolarHBondContact O-CB 3.43Å; A2148-L2152 VanDerWaalsContact O-CG 3.26Å; A2148-L2152 WeakPolarHBondContact O-CG 3.34Å; A2148-L2152 PolarHBondContact O-N 3.25Å |
| 2149 | Q | 92 | Very high | 89.1 | Confident | 37 Ų | 37 | 51.1 Ų | 51.1 | 17% | 0.173 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 177.4 | -69.5 | -175.8 | -55 | 0 | 0 | 112.1 | I2092 S2093 L2096 V2145 A2146 L2152 S2153 | I2092-Q2149 HydrophobicContact CG2-CG 3.58Å; S2093-Q2149 WeakPolarHBondContact O-CG 3.39Å; S2093-Q2149 PolarHBondContact O-NE2 3.08Å; L2096-Q2149 PolarHBondContact O-NE2 2.8Å; V2145-Q2149 HydrophobicContact CG1-CG 4.42Å; V2145-Q2149 WeakPolarHBondContact O-CG 3.46Å; V2145-Q2149 PolarHBondContact O-N 3.25Å; A2146-Q2149 PolarHBondContact O-N 3.33Å; Q2149-L2152 PolarHBondContact O-N 3.21Å; Q2149-S2153 PolarHBondContact O-N 3.14Å; Q2149-S2153 PolarHBondContact O-OG 3.02Å |
| 2150 | A | 89.5 | Confident | 89 | Confident | 46 Ų | 46 | 45.4 Ų | 45.4 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A2146 L2152 S2153 D2154 | A2146-A2150 WeakPolarHBondContact O-CB 3.23Å; A2146-A2150 PolarHBondContact O-N 3.17Å; A2150-L2152 PolarHBondContact O-N 2.72Å; A2150-S2153 WeakPolarHBondContact CA-OG 3.44Å; A2150-S2153 PolarHBondContact O-N 3.28Å; A2150-S2153 PolarHBondContact O-OG 3.33Å; A2150-D2154 VanDerWaalsContact O-CG 3.3Å; A2150-D2154 PolarHBondContact O-N 2.82Å |
| 2151 | A | 87.6 | Confident | 88.7 | Confident | 7 Ų | 7 | 43.3 Ų | 43.3 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68 | -20.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | L2068 I2071 R2147 S2155 | L2068-A2151 HydrophobicContact CB-CB 4.29Å; L2068-A2151 WeakPolarHBondContact O-CB 3.47Å; I2071-A2151 HydrophobicContact CD1-CB 3.33Å; I2071-A2151 HydrophobicContact CG1-CB 3.94Å; R2147-A2151 WeakPolarHBondContact O-CB 3.35Å; R2147-A2151 PolarHBondContact O-N 3.39Å; A2151-S2155 WeakPolarHBondContact O-CB 3.35Å; A2151-S2155 PolarHBondContact O-OG 3.26Å |
| 2152 | L | 89.2 | Confident | 88.2 | Confident | 26 Ų | 26 | 46.4 Ų | 46.4 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -84.1 | -19.2 | 169.2 | -75.9 | 172.1 | 0 | 0 | 0 | 113.8 | I2071 A2074 I2092 A2148 Q2149 A2150 S2155 | I2071-L2152 HydrophobicContact CB-CD2 4.49Å; I2071-L2152 HydrophobicContact CG2-CD2 4.45Å; A2074-L2152 HydrophobicContact CB-CD1 3.91Å; A2074-L2152 HydrophobicContact CB-CG 4.49Å; I2092-L2152 HydrophobicContact CG2-CD1 4.19Å; I2092-L2152 VanDerWaalsContact O-CD1 3.31Å; I2092-L2152 WeakPolarHBondContact O-CD1 3.48Å; A2148-L2152 WeakPolarHBondContact O-CB 3.43Å; A2148-L2152 VanDerWaalsContact O-CG 3.26Å; A2148-L2152 WeakPolarHBondContact O-CG 3.34Å; A2148-L2152 PolarHBondContact O-N 3.25Å; Q2149-L2152 PolarHBondContact O-N 3.21Å; A2150-L2152 PolarHBondContact O-N 2.72Å; L2152-S2155 PolarHBondContact O-OG 3.33Å |
| 2153 | S | 84.5 | Confident | 87.9 | Confident | 79 Ų | 79 | 41.1 Ų | 41.1 | 55% | 0.552 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -87.4 | -23.8 | 170.9 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | Q2149 A2150 | Q2149-S2153 PolarHBondContact O-N 3.14Å; Q2149-S2153 PolarHBondContact O-OG 3.02Å; A2150-S2153 WeakPolarHBondContact CA-OG 3.44Å; A2150-S2153 PolarHBondContact O-N 3.28Å; A2150-S2153 PolarHBondContact O-OG 3.33Å |
| 2154 | D | 76.6 | Confident | 87.4 | Confident | 126 Ų | 126 | 39.8 Ų | 39.8 | 67% | 0.674 | 25% | 0.25 | S | C | * | . | trans | -82.7 | -11.7 | 176.3 | -67.1 | -10.9 | 0 | 0 | 0 | 113.1 | A2150 | A2150-D2154 VanDerWaalsContact O-CG 3.3Å; A2150-D2154 PolarHBondContact O-N 2.82Å | ||
| 2155 | S | 62.3 | Low | 86.8 | Confident | 56 Ų | 56 | 42.7 Ų | 42.7 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | trans | -105 | 0 | -172.2 | 68.2 | 0 | 0 | 0 | 0 | 115.5 | R2047 I2071 A2151 L2152 | R2047-S2155 PolarHBondContact NH1-O 3.36Å; R2047-S2155 VanDerWaalsContact NH2-C 3.29Å; R2047-S2155 PolarHBondContact NH2-O 3.37Å; I2071-S2155 PolarHBondContact O-OG 3.23Å; A2151-S2155 WeakPolarHBondContact O-CB 3.35Å; A2151-S2155 PolarHBondContact O-OG 3.26Å; L2152-S2155 PolarHBondContact O-OG 3.33Å |
Retrieved 2,155 of 2,155 residues in 835.3 ms
(Link to these results)